smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C1=O	ZINC000230009712	568801538	/nfs/dbraw/zinc/80/15/38/568801538.db2.gz	XDJZZRVSSBETBS-LAUBAEHRSA-N	-1	0	414.462	2.969	50	5		HFBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2CCCO2)cc1	ZINC000005885506	568828269	/nfs/dbraw/zinc/82/82/69/568828269.db2.gz	JLFGOBDZZKDJGG-KRWDZBQOSA-N	-1	0	419.459	2.613	50	5		HFBARM
O=C([N-]N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)c1ccccc1[N+](=O)[O-]	ZINC000003015087	568838028	/nfs/dbraw/zinc/83/80/28/568838028.db2.gz	JURWDZPRCDPMAO-UHFFFAOYSA-N	-1	0	406.310	2.597	50	5		HFBARM
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1	ZINC000013427044	569413920	/nfs/dbraw/zinc/41/39/20/569413920.db2.gz	HRGJNHXILMPDRT-LALPHHSUSA-N	-1	0	415.349	2.760	50	5		HFBARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000008883791	571140841	/nfs/dbraw/zinc/14/08/41/571140841.db2.gz	WONHJMNHXDRKKF-OAHLLOKOSA-N	-1	0	423.834	2.704	50	5		HFBARM
O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)Nc1ccc([N+](=O)[O-])cc1	ZINC000009762005	571284663	/nfs/dbraw/zinc/28/46/63/571284663.db2.gz	FUOOMQFQPRCOQX-UHFFFAOYSA-N	-1	0	410.408	2.576	50	5		HFBARM
O=C([N-]n1cnc2c(cnn2-c2ccccc2)c1=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000010251205	571298082	/nfs/dbraw/zinc/29/80/82/571298082.db2.gz	BEGSRWBPNOXAOM-UHFFFAOYSA-N	-1	0	410.777	2.528	50	5		HFBARM
C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Br)C1	ZINC000072310842	558778220	/nfs/dbraw/zinc/77/82/20/558778220.db2.gz	DJCOUONVKQPQFP-BDAKNGLRSA-N	-1	0	420.285	2.571	50	5		HFBARM
Cc1nn(-c2ccccc2)c2[nH]c3nc(=O)[n-]c(=O)c-3c(-c3ccc([N+](=O)[O-])cc3)c12	ZINC000072332771	558893240	/nfs/dbraw/zinc/89/32/40/558893240.db2.gz	PYUPTPFLXNSPIM-UHFFFAOYSA-N	-1	0	414.381	2.834	50	5		HFBARM
CCOC(=O)c1ccc([N-]c2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])cc1	ZINC000004822139	559150690	/nfs/dbraw/zinc/15/06/90/559150690.db2.gz	VHBFLELXMZIEDD-UHFFFAOYSA-N	-1	0	403.782	2.988	50	5		HFBARM
C[C@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1	ZINC000017328233	560709308	/nfs/dbraw/zinc/70/93/08/560709308.db2.gz	FCSRCIBGGROFED-KBPBESRZSA-N	-1	0	419.459	2.645	50	5		HFBARM
CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100942611	560763548	/nfs/dbraw/zinc/76/35/48/560763548.db2.gz	FQULRKZWCCGDQF-NVXWUHKLSA-N	-1	0	412.789	2.571	50	5		HFBARM
COc1ccccc1N1CCN(c2c([N+](=O)[O-])cc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000008443517	569003223	/nfs/dbraw/zinc/00/32/23/569003223.db2.gz	WLGWGOUWOMGWIA-UHFFFAOYSA-N	-1	0	402.363	2.536	50	5		HFBARM
COc1ccc2[nH]c(C(=O)[O-])c(CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2c1	ZINC000001514285	569009891	/nfs/dbraw/zinc/00/98/91/569009891.db2.gz	RAZWGNXXWOZOQS-UHFFFAOYSA-N	-1	0	409.354	2.622	50	5		HFBARM
O=C(Nc1cc(=O)nc2[n-]c(CCc3ccccc3)nn21)c1cccc([N+](=O)[O-])c1	ZINC000016995489	569270440	/nfs/dbraw/zinc/27/04/40/569270440.db2.gz	CQTUFEGQRPHFPS-UHFFFAOYSA-N	-1	0	404.386	2.776	50	5		HFBARM
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000007787326	569310662	/nfs/dbraw/zinc/31/06/62/569310662.db2.gz	SHPCUINDVWZRJA-CYBMUJFWSA-N	-1	0	402.787	2.882	50	5		HFBARM
Cn1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1C(N)=O	ZINC000040060223	571146881	/nfs/dbraw/zinc/14/68/81/571146881.db2.gz	YJDALDFKWKAZGA-UHFFFAOYSA-N	-1	0	415.431	2.577	50	5		HFBARM
O=C(c1cc(N2CCOCC2)c2nc3ccccc3c(=O)n2c1)c1ccccc1[O-]	ZINC000006600474	132312034	/nfs/dbraw/zinc/31/20/34/132312034.db2.gz	FQONEOFKOJMPKJ-UHFFFAOYSA-N	-1	0	401.422	2.621	50	5		HFBARM
COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004554633	558678603	/nfs/dbraw/zinc/67/86/03/558678603.db2.gz	OSIXKNMNHWPRQP-CZUORRHYSA-N	-1	0	404.400	2.611	50	5		HFBARM
C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Br)C1	ZINC000072310844	558778098	/nfs/dbraw/zinc/77/80/98/558778098.db2.gz	DJCOUONVKQPQFP-RKDXNWHRSA-N	-1	0	420.285	2.571	50	5		HFBARM
CCOC(=O)c1ccc([N-]c2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)[n+]2[O-])cc1	ZINC000004823007	559151544	/nfs/dbraw/zinc/15/15/44/559151544.db2.gz	DQUYGDGROGBWSH-UHFFFAOYSA-N	-1	0	403.782	2.988	50	5		HFBARM
C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Br)C1	ZINC000072310843	559163169	/nfs/dbraw/zinc/16/31/69/559163169.db2.gz	DJCOUONVKQPQFP-IUCAKERBSA-N	-1	0	420.285	2.571	50	5		HFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(F)cc3Cl)n2)cc1	ZINC000002780430	568808499	/nfs/dbraw/zinc/80/84/99/568808499.db2.gz	XBYJNOWVBUVYFL-UHFFFAOYSA-N	-1	0	411.802	2.828	50	5		HFBARM
O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000006362290	569045929	/nfs/dbraw/zinc/04/59/29/569045929.db2.gz	GNMIFXIKCJBLPY-UHFFFAOYSA-N	-1	0	401.400	2.919	50	5		HFBARM
O=C([O-])c1ccc(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)cc1	ZINC000006821113	569140444	/nfs/dbraw/zinc/14/04/44/569140444.db2.gz	RWMIDJPDQHEQDW-UHFFFAOYSA-N	-1	0	419.459	2.732	50	5		HFBARM
O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)c1	ZINC000170615571	569247330	/nfs/dbraw/zinc/24/73/30/569247330.db2.gz	KQPBYBKENFSOMQ-UHFFFAOYSA-N	-1	0	407.839	2.830	50	5		HFBARM
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(CC)CC3)c([O-])n2n1	ZINC000022854454	557842048	/nfs/dbraw/zinc/84/20/48/557842048.db2.gz	KYGQCYHJAKVSCP-INIZCTEOSA-N	-1	0	416.507	2.694	50	5		HFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cn(Cc3ccccc3)nn2)c2ncccc12	ZINC000225693552	568779109	/nfs/dbraw/zinc/77/91/09/568779109.db2.gz	AXGKXEGPSWOXHW-UHFFFAOYSA-N	-1	0	410.415	2.584	50	5		HFBARM
COc1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Br)ccc1OC(F)F	ZINC000006412863	569046841	/nfs/dbraw/zinc/04/68/41/569046841.db2.gz	CKWMPHRRGMVPOB-UHFFFAOYSA-N	-1	0	407.127	2.943	50	5		HFBARM
NNc1nc([N-]c2ccccc2[N+](=O)[O-])nc(OC(C(F)(F)F)C(F)(F)F)n1	ZINC000006445612	569052707	/nfs/dbraw/zinc/05/27/07/569052707.db2.gz	YMEQBDXEJDXDKI-UHFFFAOYSA-N	-1	0	413.238	2.681	50	5		HFBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1CCCO1	ZINC000007363393	569235401	/nfs/dbraw/zinc/23/54/01/569235401.db2.gz	XAOVNVMAWVUOIB-HNNXBMFYSA-N	-1	0	419.459	2.613	50	5		HFBARM
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1[O-]	ZINC000013125717	569409398	/nfs/dbraw/zinc/40/93/98/569409398.db2.gz	MLHUPLDNXQGEON-OVCLIPMQSA-N	-1	0	401.350	2.931	50	5		HFBARM
O=C([O-])c1cc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)ccc1O	ZINC000003659029	132267980	/nfs/dbraw/zinc/26/79/80/132267980.db2.gz	UDTWAKPGWUEPHZ-UHFFFAOYSA-N	-1	0	423.293	2.861	50	5		HFBARM
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000004690126	558899557	/nfs/dbraw/zinc/89/95/57/558899557.db2.gz	CJUGGWRFGKWHLJ-AWEZNQCLSA-N	-1	0	402.787	2.882	50	5		HFBARM
C[C@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000005447142	560588951	/nfs/dbraw/zinc/58/89/51/560588951.db2.gz	UAZBWNRZXRLKPE-KBPBESRZSA-N	-1	0	419.459	2.645	50	5		HFBARM
CCCOc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000003623733	568920691	/nfs/dbraw/zinc/92/06/91/568920691.db2.gz	NPRGDQWCCRCSBI-QGZVFWFLSA-N	-1	0	408.432	2.878	50	5		HFBARM
O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006270549	569035984	/nfs/dbraw/zinc/03/59/84/569035984.db2.gz	LPOPUJLNINQHQN-UHFFFAOYSA-N	-1	0	401.400	2.919	50	5		HFBARM
NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(Cl)c1	ZINC000225506504	569403465	/nfs/dbraw/zinc/40/34/65/569403465.db2.gz	SRTNLLIGZWCOFB-UHFFFAOYSA-N	-1	0	406.203	2.507	50	5		HFBARM
O=C([O-])c1cccnc1S[C@H]1CC(=O)N(c2ccc(Cl)cc2[N+](=O)[O-])C1=O	ZINC000004807724	559067656	/nfs/dbraw/zinc/06/76/56/559067656.db2.gz	UPZBEDCUYPOYQT-LBPRGKRZSA-N	-1	0	407.791	2.766	50	5		HFBARM
Cc1c(Cl)cccc1NC(=S)N[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000096100764	568690795	/nfs/dbraw/zinc/69/07/95/568690795.db2.gz	PHFSUCHEGNFXPU-UHFFFAOYSA-N	-1	0	400.869	2.737	50	5		HFBARM
O=C([O-])CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl	ZINC000002983006	568834552	/nfs/dbraw/zinc/83/45/52/568834552.db2.gz	RCNLZZWASPKDTJ-LFIBNONCSA-N	-1	0	417.805	2.610	50	5		HFBARM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C3CC3)n2)ccc1[O-]	ZINC000026541356	569032991	/nfs/dbraw/zinc/03/29/91/569032991.db2.gz	OVGBNPQUXWNXIT-UHFFFAOYSA-N	-1	0	401.404	2.764	50	5		HFBARM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc21	ZINC000020558014	523400961	/nfs/dbraw/zinc/40/09/61/523400961.db2.gz	ZHMSSGYAZGHHHC-UHFFFAOYSA-N	-1	0	407.379	2.662	50	5		HFBARM
Cc1cc(=O)n2nc(CN(C(=O)c3cccc([N+](=O)[O-])c3)c3ccc(F)cc3)[n-]c2n1	ZINC000046020730	568424084	/nfs/dbraw/zinc/42/40/84/568424084.db2.gz	MRQZVQHKTLGMIK-UHFFFAOYSA-N	-1	0	422.376	2.620	50	5		HFBARM
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)ccc1[N+](=O)[O-]	ZINC000002991878	568835963	/nfs/dbraw/zinc/83/59/63/568835963.db2.gz	PECDOIWWCMGQNB-UHFFFAOYSA-N	-1	0	413.415	2.746	50	5		HFBARM
O=C([N-]N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O)c1cccnc1	ZINC000003150563	568858370	/nfs/dbraw/zinc/85/83/70/568858370.db2.gz	NWLMRIDHXFGFIA-UHFFFAOYSA-N	-1	0	404.338	2.723	50	5		HFBARM
CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cc(OCC)c([O-])c([N+](=O)[O-])c1	ZINC000035867434	569063263	/nfs/dbraw/zinc/06/32/63/569063263.db2.gz	XYMPFOQMYKNUCE-UHFFFAOYSA-N	-1	0	420.418	2.622	50	5		HFBARM
COc1ccc([N+](=O)[O-])cc1N[C@@H](CC(=O)Nc1cccc(C(C)=O)c1)C(=O)[O-]	ZINC000006590286	569068293	/nfs/dbraw/zinc/06/82/93/569068293.db2.gz	PBOHNULHPMPGTK-INIZCTEOSA-N	-1	0	401.375	2.700	50	5		HFBARM
O=C(NCc1ccncc1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000017168622	569276000	/nfs/dbraw/zinc/27/60/00/569276000.db2.gz	JKTGOHDJYDDCNO-UHFFFAOYSA-N	-1	0	412.427	2.721	50	5		HFBARM
O=C([O-])c1ccccc1SCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000012562934	132364149	/nfs/dbraw/zinc/36/41/49/132364149.db2.gz	BDKBGAITXAFULG-UHFFFAOYSA-N	-1	0	401.444	2.734	50	5		HFBARM
COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCS2	ZINC000032943716	522981815	/nfs/dbraw/zinc/98/18/15/522981815.db2.gz	CTWKEGMCESCNAR-UHFFFAOYSA-N	-1	0	423.472	2.863	50	5		HFBARM
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000004690127	558899734	/nfs/dbraw/zinc/89/97/34/558899734.db2.gz	CJUGGWRFGKWHLJ-CQSZACIVSA-N	-1	0	402.787	2.882	50	5		HFBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)n1	ZINC000001779622	569052655	/nfs/dbraw/zinc/05/26/55/569052655.db2.gz	VZMKKWZJRDHCBB-UHFFFAOYSA-N	-1	0	419.444	2.808	50	5		HFBARM
O=C1N[C@H](c2ccccc2[N+](=O)[O-])C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1	ZINC000013306882	569410584	/nfs/dbraw/zinc/41/05/84/569410584.db2.gz	XHWWAARUXDSGHW-LALPHHSUSA-N	-1	0	415.349	2.760	50	5		HFBARM
COc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)c([N+](=O)[O-])c1	ZINC000019878863	569433004	/nfs/dbraw/zinc/43/30/04/569433004.db2.gz	VJYWONMCFNDWOF-HNNXBMFYSA-N	-1	0	402.384	2.726	50	5		HFBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000009128525	571227176	/nfs/dbraw/zinc/22/71/76/571227176.db2.gz	YABWFRIIGHTIRM-UHFFFAOYSA-N	-1	0	424.378	2.998	50	5		HFBARM
C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1	ZINC000005447143	560588945	/nfs/dbraw/zinc/58/89/45/560588945.db2.gz	UAZBWNRZXRLKPE-ZIAGYGMSSA-N	-1	0	419.459	2.645	50	5		HFBARM
O=C1N[C@H](c2ccccc2[N+](=O)[O-])C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1	ZINC000110548196	560880055	/nfs/dbraw/zinc/88/00/55/560880055.db2.gz	XHWWAARUXDSGHW-YWPYICTPSA-N	-1	0	415.349	2.760	50	5		HFBARM
COc1cccc(OC)c1OC([O-])=NC(=O)c1c(OC)ccc([N+](=O)[O-])c1OC	ZINC000001023882	568763326	/nfs/dbraw/zinc/76/33/26/568763326.db2.gz	YTDMAZXDSKLSKH-UHFFFAOYSA-N	-1	0	406.347	2.558	50	5		HFBARM
CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1OCC	ZINC000059290805	568949471	/nfs/dbraw/zinc/94/94/71/568949471.db2.gz	NVQZJFFCOYOVOX-UHFFFAOYSA-N	-1	0	424.431	2.520	50	5		HFBARM
Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000009434737	569392739	/nfs/dbraw/zinc/39/27/39/569392739.db2.gz	QWSNUJFAOJDBKV-UHFFFAOYSA-N	-1	0	424.211	2.717	50	5		HFBARM
O=C([O-])c1ccc(Cl)cc1NC(=O)CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	ZINC000010060520	569395176	/nfs/dbraw/zinc/39/51/76/569395176.db2.gz	HVXCXSMKDCQUIL-UHFFFAOYSA-N	-1	0	417.761	2.571	50	5		HFBARM
O=C([O-])CCCC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000008473704	571052828	/nfs/dbraw/zinc/05/28/28/571052828.db2.gz	RUEVPCNKFPWJSX-UHFFFAOYSA-N	-1	0	414.370	2.828	50	5		HFBARM
CCNC(=S)NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1C	ZINC000009137207	571229872	/nfs/dbraw/zinc/22/98/72/571229872.db2.gz	WYNHYKSUACWYRV-UHFFFAOYSA-N	-1	0	423.520	2.823	50	5		HFBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccn(C)n3)cc2)cc1[N+](=O)[O-]	ZINC000010135496	571295443	/nfs/dbraw/zinc/29/54/43/571295443.db2.gz	VHSXTBHLUKIKPX-UHFFFAOYSA-N	-1	0	415.431	2.690	50	5		HFBARM
CCCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C1=O	ZINC000230009706	568801449	/nfs/dbraw/zinc/80/14/49/568801449.db2.gz	XDJZZRVSSBETBS-UWJYYQICSA-N	-1	0	414.462	2.969	50	5		HFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncn(Cc3c(F)cccc3Cl)n2)cc1	ZINC000002804137	568811460	/nfs/dbraw/zinc/81/14/60/568811460.db2.gz	LMCLBYKMJYWTIP-UHFFFAOYSA-N	-1	0	411.802	2.828	50	5		HFBARM
CC(C)C[C@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)[O-]	ZINC000002949189	568820534	/nfs/dbraw/zinc/82/05/34/568820534.db2.gz	ZAAHMCZTFYZBSA-QZFKAFNDSA-N	-1	0	415.402	2.574	50	5		HFBARM
N=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ncc(C(F)(F)F)cc1Cl	ZINC000261495053	568820754	/nfs/dbraw/zinc/82/07/54/568820754.db2.gz	ZKARAXFXDUFJAR-UHFFFAOYSA-N	-1	0	408.745	2.966	50	5		HFBARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)c1C	ZINC000003235997	568865695	/nfs/dbraw/zinc/86/56/95/568865695.db2.gz	WRTHDAANGMEWLF-UHFFFAOYSA-N	-1	0	406.376	2.846	50	5		HFBARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21	ZINC000006673285	569087232	/nfs/dbraw/zinc/08/72/32/569087232.db2.gz	PZZULHSTTMZVJE-IBGZPJMESA-N	-1	0	400.434	2.967	50	5		HFBARM
O=C(CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)Nc1ccc([N+](=O)[O-])cc1	ZINC000012628688	569402204	/nfs/dbraw/zinc/40/22/04/569402204.db2.gz	ISFIBDPRVLBLDO-UHFFFAOYSA-N	-1	0	412.427	2.705	50	5		HFBARM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)c([N+](=O)[O-])c1	ZINC000032097903	522158646	/nfs/dbraw/zinc/15/86/46/522158646.db2.gz	ATCVTLKALSUXSI-UHFFFAOYSA-N	-1	0	419.419	2.508	50	5		HFBARM
Cc1nnc2ccc(-c3cccc([N-]S(=O)(=O)c4ccccc4[N+](=O)[O-])c3)nn12	ZINC000014057130	559147090	/nfs/dbraw/zinc/14/70/90/559147090.db2.gz	HHLQRNDCXBLOHF-UHFFFAOYSA-N	-1	0	410.415	2.809	50	5		HFBARM
O=C([O-])CCCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	ZINC000004891522	559198546	/nfs/dbraw/zinc/19/85/46/559198546.db2.gz	GCVUFYXILCKPQJ-SSZFMOIBSA-N	-1	0	415.402	2.720	50	5		HFBARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)s1	ZINC000001781113	569052768	/nfs/dbraw/zinc/05/27/68/569052768.db2.gz	CUUPOVXBFXDRSP-UHFFFAOYSA-N	-1	0	423.432	2.655	50	5		HFBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCS2	ZINC000032943735	525470274	/nfs/dbraw/zinc/47/02/74/525470274.db2.gz	SFLGYRHQDYPQSW-UHFFFAOYSA-N	-1	0	423.472	2.863	50	5		HFBARM
CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc([N+](=O)[O-])c1[O-]	ZINC000013597959	558547537	/nfs/dbraw/zinc/54/75/37/558547537.db2.gz	YHPWWKZOMYKNBF-INIZCTEOSA-N	-1	0	404.448	2.603	50	5		HFBARM
Cc1c(Cl)cccc1[N-]c1c([N+](=O)[O-])nn(-c2ccc3c(c2)OCCO3)[n+]1[O-]	ZINC000004828947	559147379	/nfs/dbraw/zinc/14/73/79/559147379.db2.gz	GGFKEUOLBDRBER-UHFFFAOYSA-N	-1	0	403.782	2.891	50	5		HFBARM
COc1cc([N-]S(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc(OC)c1OC	ZINC000020491932	568614622	/nfs/dbraw/zinc/61/46/22/568614622.db2.gz	AURQVSQMVBPENN-UHFFFAOYSA-N	-1	0	407.404	2.903	50	5		HFBARM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C)cc2)c2cc([N+](=O)[O-])ccc21	ZINC000020762263	568642692	/nfs/dbraw/zinc/64/26/92/568642692.db2.gz	DQVAOFNZJWDEMI-UHFFFAOYSA-N	-1	0	403.416	2.832	50	5		HFBARM
O=C([O-])CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl	ZINC000015822142	569010454	/nfs/dbraw/zinc/01/04/54/569010454.db2.gz	RCNLZZWASPKDTJ-WJDWOHSUSA-N	-1	0	417.805	2.610	50	5		HFBARM
O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)c2ccccc2Br)c1	ZINC000026540684	569032956	/nfs/dbraw/zinc/03/29/56/569032956.db2.gz	ZILOFPOEZQGJSP-UHFFFAOYSA-N	-1	0	416.253	2.562	50	5		HFBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(F)cc3Cl)n2)c1	ZINC000017089040	569274185	/nfs/dbraw/zinc/27/41/85/569274185.db2.gz	UHRLRRQQTKOEAT-UHFFFAOYSA-N	-1	0	411.802	2.828	50	5		HFBARM
Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cccc1[N+](=O)[O-]	ZINC000009057765	569391460	/nfs/dbraw/zinc/39/14/60/569391460.db2.gz	ACCWCQYSLVBNRV-UHFFFAOYSA-N	-1	0	413.415	2.746	50	5		HFBARM
Cc1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-]	ZINC000079108604	569427909	/nfs/dbraw/zinc/42/79/09/569427909.db2.gz	KWNGDLMGITVAEF-UHFFFAOYSA-N	-1	0	402.388	2.823	50	5		HFBARM
O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)Nc1cccc([N+](=O)[O-])c1	ZINC000009762003	571284584	/nfs/dbraw/zinc/28/45/84/571284584.db2.gz	DROFBGKWQYOKEH-UHFFFAOYSA-N	-1	0	410.408	2.576	50	5		HFBARM
Cn1nc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)ccc1=O	ZINC000010324786	571300338	/nfs/dbraw/zinc/30/03/38/571300338.db2.gz	SKRYWSROXKXKKI-UHFFFAOYSA-N	-1	0	420.834	2.810	50	5		HFBARM
Cc1ccc([N-]c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)[n+]2[O-])c(Cl)c1	ZINC000005005433	559227052	/nfs/dbraw/zinc/22/70/52/559227052.db2.gz	DYZDXNYCPZCSEA-UHFFFAOYSA-N	-1	0	403.782	2.891	50	5		HFBARM
CC(C)C[C@H](NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)[O-]	ZINC000005092395	559243470	/nfs/dbraw/zinc/24/34/70/559243470.db2.gz	ZAAHMCZTFYZBSA-SFKKXYGYSA-N	-1	0	415.402	2.574	50	5		HFBARM
O=C(NCc1ccco1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000005533992	560606175	/nfs/dbraw/zinc/60/61/75/560606175.db2.gz	XSQMCTJGWUSXJZ-UHFFFAOYSA-N	-1	0	401.400	2.919	50	5		HFBARM
CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc([N+](=O)[O-])c1[O-]	ZINC000018046179	560774361	/nfs/dbraw/zinc/77/43/61/560774361.db2.gz	YHPWWKZOMYKNBF-MRXNPFEDSA-N	-1	0	404.448	2.603	50	5		HFBARM
Cc1nnc2ccc(-c3cccc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)c3)nn12	ZINC000012237567	568455243	/nfs/dbraw/zinc/45/52/43/568455243.db2.gz	JJSHUCCPCUOBCA-UHFFFAOYSA-N	-1	0	410.415	2.809	50	5		HFBARM
Cc1nn(Cc2ccc(C(=O)NC3CCC(C(=O)[O-])CC3)cc2)c(C)c1[N+](=O)[O-]	ZINC000095970513	568671481	/nfs/dbraw/zinc/67/14/81/568671481.db2.gz	GOXCXLGBHSVNMS-UHFFFAOYSA-N	-1	0	400.435	2.830	50	5		HFBARM
COc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)N(C(=O)CCC(=O)[O-])CC2	ZINC000002426578	569398008	/nfs/dbraw/zinc/39/80/08/569398008.db2.gz	UHPLSCVPLXQAHW-OAQYLSRUSA-N	-1	0	414.414	2.951	50	5		HFBARM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccccc2C)c2cc([N+](=O)[O-])ccc21	ZINC000020558024	523403427	/nfs/dbraw/zinc/40/34/27/523403427.db2.gz	HYZLLDGABPUCNV-UHFFFAOYSA-N	-1	0	403.416	2.832	50	5		HFBARM
COc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000004686993	558895885	/nfs/dbraw/zinc/89/58/85/558895885.db2.gz	NLEUHVLENFEBCP-HNNXBMFYSA-N	-1	0	414.823	2.751	50	5		HFBARM
O=C([O-])CCc1nc2cc(F)c(F)cc2c2nc(=O)c(-c3ccc(F)cc3)nn12	ZINC000097105520	558993811	/nfs/dbraw/zinc/99/38/11/558993811.db2.gz	VGMZBZXCOARGNR-UHFFFAOYSA-N	-1	0	400.316	2.739	50	5		HFBARM
CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100942619	560763515	/nfs/dbraw/zinc/76/35/15/560763515.db2.gz	FQULRKZWCCGDQF-RDJZCZTQSA-N	-1	0	412.789	2.571	50	5		HFBARM
Cc1cccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000101802256	560802058	/nfs/dbraw/zinc/80/20/58/560802058.db2.gz	MMWNGMCKHUFVET-UHFFFAOYSA-N	-1	0	418.413	2.790	50	5		HFBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)no1	ZINC000002754802	568806468	/nfs/dbraw/zinc/80/64/68/568806468.db2.gz	HCWHPVDEGPNBHG-UHFFFAOYSA-N	-1	0	416.415	2.873	50	5		HFBARM
COC(=O)c1cn([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)c(=O)c2ccccc12	ZINC000003630756	568921207	/nfs/dbraw/zinc/92/12/07/568921207.db2.gz	YQDSTVAVDAPKMC-UHFFFAOYSA-N	-1	0	401.762	2.734	50	5		HFBARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000013097438	569409001	/nfs/dbraw/zinc/40/90/01/569409001.db2.gz	WONHJMNHXDRKKF-HNNXBMFYSA-N	-1	0	423.834	2.704	50	5		HFBARM
O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000009356430	571251082	/nfs/dbraw/zinc/25/10/82/571251082.db2.gz	AHENWPMCVLYEMR-UHFFFAOYSA-N	-1	0	412.427	2.721	50	5		HFBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1	ZINC000005653002	560637230	/nfs/dbraw/zinc/63/72/30/560637230.db2.gz	IFNRNUONSBYMJQ-UHFFFAOYSA-N	-1	0	405.432	2.640	50	5		HFBARM
COC(=O)c1cc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)ccc1Cl	ZINC000030840496	568895196	/nfs/dbraw/zinc/89/51/96/568895196.db2.gz	QFBAMFWXEAIKQN-UTCJRWHESA-N	-1	0	417.761	2.842	50	5		HFBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2	ZINC000015732046	568982100	/nfs/dbraw/zinc/98/21/00/568982100.db2.gz	HSKATLLENUOTKU-UHFFFAOYSA-N	-1	0	409.445	2.839	50	5		HFBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1	ZINC000001738639	569040060	/nfs/dbraw/zinc/04/00/60/569040060.db2.gz	OISWWUKDOPPBEP-UHFFFAOYSA-N	-1	0	413.415	2.746	50	5		HFBARM
CCOCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009668457	569393718	/nfs/dbraw/zinc/39/37/18/569393718.db2.gz	XJOIRNURDFIDOO-UHFFFAOYSA-N	-1	0	407.448	2.552	50	5		HFBARM
CS(=O)(=O)c1cccc(-c2nnc([N-]C(=O)c3cc(Cl)ccc3[N+](=O)[O-])o2)c1	ZINC000009707640	571280713	/nfs/dbraw/zinc/28/07/13/571280713.db2.gz	HIABKOLNCVIMMQ-UHFFFAOYSA-N	-1	0	422.806	2.954	50	5		HFBARM
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)C3)C2=O)cc1	ZINC000008995662	132334801	/nfs/dbraw/zinc/33/48/01/132334801.db2.gz	KQYTXCUHZCDCLQ-FQEVSTJZSA-N	-1	0	410.386	2.705	50	5		HFBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1ccccc1	ZINC000009122781	132336106	/nfs/dbraw/zinc/33/61/06/132336106.db2.gz	GHHTXUBBFIJECJ-XMSQKQJNSA-N	-1	0	420.425	2.779	50	5		HFBARM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccccc2OC)c2cc([N+](=O)[O-])ccc21	ZINC000020558047	523404151	/nfs/dbraw/zinc/40/41/51/523404151.db2.gz	RCAAIPLOJZXQNU-UHFFFAOYSA-N	-1	0	419.415	2.532	50	5		HFBARM
COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2[O-])cc1OC	ZINC000005350917	560569022	/nfs/dbraw/zinc/56/90/22/560569022.db2.gz	HNAXEDISCAOJKE-XBXARRHUSA-N	-1	0	403.416	2.844	50	5		HFBARM
O=C([O-])c1cc(NC(=O)CSc2nnc(-c3ccncc3)s2)cc([N+](=O)[O-])c1	ZINC000015021547	568743284	/nfs/dbraw/zinc/74/32/84/568743284.db2.gz	WYSOMFAMZKBPRO-UHFFFAOYSA-N	-1	0	417.428	2.937	50	5		HFBARM
Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1	ZINC000015357142	568879346	/nfs/dbraw/zinc/87/93/46/568879346.db2.gz	ICPNSURZCLNRLC-RWSFTLGLSA-N	-1	0	403.464	2.912	50	5		HFBARM
Cn1ccnc1-c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1	ZINC000095444303	568611432	/nfs/dbraw/zinc/61/14/32/568611432.db2.gz	CUFAJTUFWHNFFJ-UHFFFAOYSA-N	-1	0	416.341	2.538	50	5		HFBARM
CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000034795922	568827256	/nfs/dbraw/zinc/82/72/56/568827256.db2.gz	KAAPWTAWAFAYRZ-VGOFMYFVSA-N	-1	0	401.350	2.931	50	5		HFBARM
C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000012523925	568842430	/nfs/dbraw/zinc/84/24/30/568842430.db2.gz	UAZBWNRZXRLKPE-OKILXGFUSA-N	-1	0	419.459	2.645	50	5		HFBARM
CCCOc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000003623736	568864672	/nfs/dbraw/zinc/86/46/72/568864672.db2.gz	NPRGDQWCCRCSBI-KRWDZBQOSA-N	-1	0	408.432	2.878	50	5		HFBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)no1	ZINC000001779633	569052342	/nfs/dbraw/zinc/05/23/42/569052342.db2.gz	FNQOFFCCAUEXOB-UHFFFAOYSA-N	-1	0	402.388	2.944	50	5		HFBARM
O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000009356427	571251069	/nfs/dbraw/zinc/25/10/69/571251069.db2.gz	VTXKKOQLKJRCIM-UHFFFAOYSA-N	-1	0	412.427	2.721	50	5		HFBARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(C)C3)C2=O)cc1	ZINC000008995663	132334826	/nfs/dbraw/zinc/33/48/26/132334826.db2.gz	KQYTXCUHZCDCLQ-HXUWFJFHSA-N	-1	0	410.386	2.705	50	5		HFBARM
Cc1cccc(OCCn2c3ccc(C(F)(F)F)cc3nc3c(=O)[n-]c(=O)nc2-3)c1	ZINC000008783562	557808661	/nfs/dbraw/zinc/80/86/61/557808661.db2.gz	AHNXUVJUJNMRHF-UHFFFAOYSA-N	-1	0	416.359	2.991	50	5	biogenic,in-vitro	HFBARM
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC(O)CC3)c([O-])n2n1	ZINC000022855187	557838620	/nfs/dbraw/zinc/83/86/20/557838620.db2.gz	QUGCLOXBAXGPLU-HNNXBMFYSA-N	-1	0	403.464	2.513	50	5		HFBARM
O=C(COc1ccccc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-])Nc1ccccc1	ZINC000015009171	560779634	/nfs/dbraw/zinc/77/96/34/560779634.db2.gz	WZPAIXBGNXLFOX-ZHACJKMWSA-N	-1	0	408.370	2.572	50	5		HFBARM
CCn1ncc(Cl)c1C(=O)NC(=S)Nc1cc([N+](=O)[O-])cc(Cl)c1[O-]	ZINC000002774776	568807712	/nfs/dbraw/zinc/80/77/12/568807712.db2.gz	FWLCBWIEEROKJZ-UHFFFAOYSA-N	-1	0	404.235	2.950	50	5		HFBARM
O=C(C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)N1CCCCC1	ZINC000012467410	568838024	/nfs/dbraw/zinc/83/80/24/568838024.db2.gz	NZHVCMRHUXWWGW-QGZVFWFLSA-N	-1	0	403.822	2.846	50	5		HFBARM
CN1CCN(c2cc(C(=O)c3ccccc3[O-])cn3c(=O)c4ccccc4nc23)CC1	ZINC000006651910	569081639	/nfs/dbraw/zinc/08/16/39/569081639.db2.gz	OBUIWBJGFBGHHE-UHFFFAOYSA-N	-1	0	414.465	2.536	50	5		HFBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H]1CCCO1	ZINC000007363396	569235384	/nfs/dbraw/zinc/23/53/84/569235384.db2.gz	XAOVNVMAWVUOIB-OAHLLOKOSA-N	-1	0	419.459	2.613	50	5		HFBARM
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC(O)CC3)c([O-])n2n1	ZINC000022855189	557838553	/nfs/dbraw/zinc/83/85/53/557838553.db2.gz	QUGCLOXBAXGPLU-OAHLLOKOSA-N	-1	0	403.464	2.513	50	5		HFBARM
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(CC)CC3)c([O-])n2n1	ZINC000022854457	557842074	/nfs/dbraw/zinc/84/20/74/557842074.db2.gz	KYGQCYHJAKVSCP-MRXNPFEDSA-N	-1	0	416.507	2.694	50	5		HFBARM
O=C(Nc1cc(=O)nc2[n-]c(CCc3ccccc3)nn21)c1ccccc1[N+](=O)[O-]	ZINC000017017014	558811802	/nfs/dbraw/zinc/81/18/02/558811802.db2.gz	KPPZJYUNAULRNN-UHFFFAOYSA-N	-1	0	404.386	2.776	50	5		HFBARM
O=C(NCc1cccnc1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000004863880	559193587	/nfs/dbraw/zinc/19/35/87/559193587.db2.gz	YWDNWCZEFNPPOD-UHFFFAOYSA-N	-1	0	412.427	2.721	50	5		HFBARM
Cn1c2ccc(C[N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc2nc1C1CC1	ZINC000225830810	568782877	/nfs/dbraw/zinc/78/28/77/568782877.db2.gz	ZABWPMZGGQCQFN-UHFFFAOYSA-N	-1	0	404.423	2.977	50	5		HFBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N1c1ccccc1	ZINC000230036468	568803172	/nfs/dbraw/zinc/80/31/72/568803172.db2.gz	GHHTXUBBFIJECJ-AVRDEDQJSA-N	-1	0	420.425	2.779	50	5		HFBARM
O=c1c(=Cc2cc(Br)cc([N+](=O)[O-])c2[O-])sc2nc3ccccc3n12	ZINC000252670711	569319392	/nfs/dbraw/zinc/31/93/92/569319392.db2.gz	LNEBNJGHWFVDHH-UHFFFAOYSA-N	-1	0	418.228	2.833	50	5		HFBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)no1	ZINC000008779751	569390239	/nfs/dbraw/zinc/39/02/39/569390239.db2.gz	VOGPEFVDIRIIEX-UHFFFAOYSA-N	-1	0	402.388	2.944	50	5		HFBARM
COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)N(C(=O)CCC(=O)[O-])CC2	ZINC000002426579	569398013	/nfs/dbraw/zinc/39/80/13/569398013.db2.gz	UHPLSCVPLXQAHW-NRFANRHFSA-N	-1	0	414.414	2.951	50	5		HFBARM
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000019849802	569431069	/nfs/dbraw/zinc/43/10/69/569431069.db2.gz	WVHUNAFKZPSXQU-KRWDZBQOSA-N	-1	0	413.386	2.637	50	5		HFBARM
COC(=O)c1cc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)ccc1Cl	ZINC000009234697	571240003	/nfs/dbraw/zinc/24/00/03/571240003.db2.gz	QFBAMFWXEAIKQN-ZZXKWVIFSA-N	-1	0	417.761	2.842	50	5		HFBARM
COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004554631	558678687	/nfs/dbraw/zinc/67/86/87/558678687.db2.gz	OSIXKNMNHWPRQP-XJKSGUPXSA-N	-1	0	404.400	2.611	50	5		HFBARM
COc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000004686994	558895808	/nfs/dbraw/zinc/89/58/08/558895808.db2.gz	NLEUHVLENFEBCP-OAHLLOKOSA-N	-1	0	414.823	2.751	50	5		HFBARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000096422941	558948299	/nfs/dbraw/zinc/94/82/99/558948299.db2.gz	GGORLGNCGVYXJH-WQRHYEAKSA-N	-1	0	419.397	2.887	50	5		HFBARM
Cc1cccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000101802260	560802152	/nfs/dbraw/zinc/80/21/52/560802152.db2.gz	VBAUATPDIRCIHR-UHFFFAOYSA-N	-1	0	418.413	2.790	50	5		HFBARM
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1	ZINC000001164706	568775213	/nfs/dbraw/zinc/77/52/13/568775213.db2.gz	NQSQSODDYSCIEY-ZOWXZIJZSA-N	-1	0	415.349	2.760	50	5		HFBARM
CSC[C@H](NC(=O)COc1ccc2c3ccccc3c(=O)oc2c1C)C(=O)[O-]	ZINC000002114729	569284499	/nfs/dbraw/zinc/28/44/99/569284499.db2.gz	JSBFDBUIYKGMFX-HNNXBMFYSA-N	-1	0	401.440	2.566	50	5	biogenic	HFBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1ccccc1	ZINC000009122782	132336032	/nfs/dbraw/zinc/33/60/32/132336032.db2.gz	GHHTXUBBFIJECJ-GCJKJVERSA-N	-1	0	420.425	2.779	50	5		HFBARM
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCCC(=O)[O-])cc1	ZINC000020035222	526078249	/nfs/dbraw/zinc/07/82/49/526078249.db2.gz	FDWDZWQBZOOCMG-AQTBWJFISA-N	-1	0	411.414	2.655	50	5		HFBARM
C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Br)C1	ZINC000072310845	558778178	/nfs/dbraw/zinc/77/81/78/558778178.db2.gz	DJCOUONVKQPQFP-DTWKUNHWSA-N	-1	0	420.285	2.571	50	5		HFBARM
Cc1cccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000101802274	560802145	/nfs/dbraw/zinc/80/21/45/560802145.db2.gz	QVTSAROMMCQVEN-UHFFFAOYSA-N	-1	0	418.413	2.790	50	5		HFBARM
O=c1/c(=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])sc2nc3ccccc3n12	ZINC000003043341	568847537	/nfs/dbraw/zinc/84/75/37/568847537.db2.gz	LNEBNJGHWFVDHH-MLPAPPSSSA-N	-1	0	418.228	2.833	50	5		HFBARM
O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(c2ccc(Cl)cc2[N+](=O)[O-])C1=O	ZINC000019880994	569432964	/nfs/dbraw/zinc/43/29/64/569432964.db2.gz	UPZBEDCUYPOYQT-GFCCVEGCSA-N	-1	0	407.791	2.766	50	5		HFBARM
CCOC(=O)c1sc([N-]C(=O)c2noc(C)c2[N+](=O)[O-])c(C(=O)OCC)c1C	ZINC000009610802	571273652	/nfs/dbraw/zinc/27/36/52/571273652.db2.gz	YABKIJVHMYEBPX-UHFFFAOYSA-N	-1	0	411.392	2.867	50	5		HFBARM
Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)c3=O)cc1	ZINC000010251509	571298221	/nfs/dbraw/zinc/29/82/21/571298221.db2.gz	NHXHFCIUHWXBRR-UHFFFAOYSA-N	-1	0	424.804	2.836	50	5		HFBARM
O=C([O-])c1cc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c43)C2=O)ccc1O	ZINC000003146534	132262841	/nfs/dbraw/zinc/26/28/41/132262841.db2.gz	PAQACDRRAGKUNN-UHFFFAOYSA-N	-1	0	423.293	2.861	50	5		HFBARM
O=C([O-])CCCCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	ZINC000004844186	559179098	/nfs/dbraw/zinc/17/90/98/559179098.db2.gz	GCVUFYXILCKPQJ-DTQAZKPQSA-N	-1	0	415.402	2.720	50	5		HFBARM
O=C([O-])c1ccccc1C(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1	ZINC000005093874	559243475	/nfs/dbraw/zinc/24/34/75/559243475.db2.gz	YARIIAWYCURIKG-UHFFFAOYSA-N	-1	0	413.430	2.658	50	5		HFBARM
C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1	ZINC000017328227	560709295	/nfs/dbraw/zinc/70/92/95/560709295.db2.gz	FCSRCIBGGROFED-ZIAGYGMSSA-N	-1	0	419.459	2.645	50	5		HFBARM
O=C([O-])CCCN1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c32)C1=O	ZINC000095470815	568626317	/nfs/dbraw/zinc/62/63/17/568626317.db2.gz	IKEBWPDQQXMFFE-UHFFFAOYSA-N	-1	0	407.176	2.971	50	5		HFBARM
O=C([N-]N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O)c1ccccc1[N+](=O)[O-]	ZINC000003044900	568847714	/nfs/dbraw/zinc/84/77/14/568847714.db2.gz	UAOPSQHQLMIKSE-UHFFFAOYSA-N	-1	0	406.310	2.597	50	5		HFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)cc1Br	ZINC000040146687	571196394	/nfs/dbraw/zinc/19/63/94/571196394.db2.gz	UZGXECHDYRXAML-UHFFFAOYSA-N	-1	0	424.236	2.739	50	5		HFBARM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(OC)c2)c2cc([N+](=O)[O-])ccc21	ZINC000020558004	523401414	/nfs/dbraw/zinc/40/14/14/523401414.db2.gz	MIAPSJWWICCGIS-UHFFFAOYSA-N	-1	0	419.415	2.532	50	5		HFBARM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(C)c2)c2cc([N+](=O)[O-])ccc21	ZINC000020558045	523402186	/nfs/dbraw/zinc/40/21/86/523402186.db2.gz	SKRQXYUSXGFDEN-UHFFFAOYSA-N	-1	0	403.416	2.832	50	5		HFBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2ccc(C(=O)[O-])n2)cc1	ZINC000048373959	568442354	/nfs/dbraw/zinc/44/23/54/568442354.db2.gz	XXNVEPDXATUOQG-UHFFFAOYSA-N	-1	0	402.388	2.588	50	5		HFBARM
Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1	ZINC000015357143	568879420	/nfs/dbraw/zinc/87/94/20/568879420.db2.gz	ICPNSURZCLNRLC-JRPNMDOOSA-N	-1	0	403.464	2.912	50	5		HFBARM
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1	ZINC000013427042	569413911	/nfs/dbraw/zinc/41/39/11/569413911.db2.gz	HRGJNHXILMPDRT-JMSVASOKSA-N	-1	0	415.349	2.760	50	5		HFBARM
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000019849801	569431032	/nfs/dbraw/zinc/43/10/32/569431032.db2.gz	WVHUNAFKZPSXQU-QGZVFWFLSA-N	-1	0	413.386	2.637	50	5		HFBARM
O=C1N[C@H](c2ccccc2[N+](=O)[O-])C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1	ZINC000009090195	571220428	/nfs/dbraw/zinc/22/04/28/571220428.db2.gz	XHWWAARUXDSGHW-JMSVASOKSA-N	-1	0	415.349	2.760	50	5		HFBARM
COCCNc1cc(C(=O)c2cc(F)ccc2[O-])cn2c(=O)c3ccccc3nc12	ZINC000009578692	571270200	/nfs/dbraw/zinc/27/02/00/571270200.db2.gz	ADBLXMSIYQJWQE-UHFFFAOYSA-N	-1	0	407.401	2.982	50	5		HFBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N1c1ccccc1	ZINC000247367689	559017852	/nfs/dbraw/zinc/01/78/52/559017852.db2.gz	GHHTXUBBFIJECJ-PGRDOPGGSA-N	-1	0	420.425	2.779	50	5		HFBARM
COc1ccc(Cc2nnc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000002814749	568812219	/nfs/dbraw/zinc/81/22/19/568812219.db2.gz	UQHFPCGFJJYCNY-UHFFFAOYSA-N	-1	0	406.445	2.847	50	5		HFBARM
Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1[N+](=O)[O-]	ZINC000002828026	568812401	/nfs/dbraw/zinc/81/24/01/568812401.db2.gz	IPPYDJLSGZBQGN-UHFFFAOYSA-N	-1	0	413.415	2.746	50	5		HFBARM
Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1	ZINC000227726027	568866093	/nfs/dbraw/zinc/86/60/93/568866093.db2.gz	ICPNSURZCLNRLC-PGUXBMHVSA-N	-1	0	403.464	2.912	50	5		HFBARM
CSCC[C@H](NC(=O)COc1ccc2c3ccccc3c(=O)oc2c1C)C(=O)[O-]	ZINC000002118305	569284805	/nfs/dbraw/zinc/28/48/05/569284805.db2.gz	WMFMKGCLHZWUHW-INIZCTEOSA-N	-1	0	415.467	2.956	50	5	biogenic	HFBARM
Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000027904398	569405356	/nfs/dbraw/zinc/40/53/56/569405356.db2.gz	ZMGZWGPKCQEZPY-UHFFFAOYSA-N	-1	0	424.211	2.717	50	5		HFBARM
CCOc1ccc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)[O-])C2=O)c([N+](=O)[O-])c1	ZINC000008741916	571110374	/nfs/dbraw/zinc/11/03/74/571110374.db2.gz	CIMODUGKZNQRMF-CQSZACIVSA-N	-1	0	417.399	2.511	50	5		HFBARM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000009539470	571267221	/nfs/dbraw/zinc/26/72/21/571267221.db2.gz	ZVNRRAVLZFKJSN-UHFFFAOYSA-N	-1	0	410.404	2.508	50	5		HFBARM
O=C([N-]n1cnc2c(cnn2-c2ccccc2)c1=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000010251208	571298094	/nfs/dbraw/zinc/29/80/94/571298094.db2.gz	NQPSDKMFKIZJMU-UHFFFAOYSA-N	-1	0	410.777	2.528	50	5		HFBARM
O=[N+]([O-])c1cnc([N-]c2ccc(S(=O)(=O)Nc3nccs3)cc2)c([N+](=O)[O-])c1	ZINC000004417477	558528199	/nfs/dbraw/zinc/52/81/99/558528199.db2.gz	UHYDXORAWJMCEX-UHFFFAOYSA-N	-1	0	422.404	2.899	50	5		HFBARM
Cc1c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])nnn1Cc1ccccc1F	ZINC000225695089	568779114	/nfs/dbraw/zinc/77/91/14/568779114.db2.gz	NHMPEEVNZLOZHB-UHFFFAOYSA-N	-1	0	419.438	2.667	50	5		HFBARM
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1	ZINC000225702652	568779286	/nfs/dbraw/zinc/77/92/86/568779286.db2.gz	HUSPOZXKHGRYHL-UHFFFAOYSA-N	-1	0	413.386	2.520	50	5		HFBARM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000035352888	569033510	/nfs/dbraw/zinc/03/35/10/569033510.db2.gz	RADRLKKOUZYSJG-QGZVFWFLSA-N	-1	0	412.402	2.966	50	5		HFBARM
CCOc1c(Br)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1OC	ZINC000018161619	569385108	/nfs/dbraw/zinc/38/51/08/569385108.db2.gz	BRINKUJMMMLXAS-SNAWJCMRSA-N	-1	0	412.196	2.724	50	5		HFBARM
CS(=O)(=O)c1ccc2nc(NC(=O)c3c(C(=O)[O-])cccc3[N+](=O)[O-])sc2c1	ZINC000009446184	569392940	/nfs/dbraw/zinc/39/29/40/569392940.db2.gz	KDMZAKDKRSCIPP-UHFFFAOYSA-N	-1	0	421.412	2.559	50	5		HFBARM
COc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)c([N+](=O)[O-])c1	ZINC000004393321	558484605	/nfs/dbraw/zinc/48/46/05/558484605.db2.gz	VJYWONMCFNDWOF-OAHLLOKOSA-N	-1	0	402.384	2.726	50	5		HFBARM
O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000005027830	559229655	/nfs/dbraw/zinc/22/96/55/559229655.db2.gz	FEJRVLCJWKHISO-UHFFFAOYSA-N	-1	0	401.400	2.919	50	5		HFBARM
CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000018190495	560781770	/nfs/dbraw/zinc/78/17/70/560781770.db2.gz	FQULRKZWCCGDQF-DOTOQJQBSA-N	-1	0	412.789	2.571	50	5		HFBARM
O=C(C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)N1CCCCC1	ZINC000012467413	568838051	/nfs/dbraw/zinc/83/80/51/568838051.db2.gz	NZHVCMRHUXWWGW-KRWDZBQOSA-N	-1	0	403.822	2.846	50	5		HFBARM
CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N1	ZINC000035973745	569069364	/nfs/dbraw/zinc/06/93/64/569069364.db2.gz	FSZMQNDQHGDUOZ-GOSISDBHSA-N	-1	0	413.386	2.551	50	5		HFBARM
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1	ZINC000036056511	569083404	/nfs/dbraw/zinc/08/34/04/569083404.db2.gz	HRGJNHXILMPDRT-YWPYICTPSA-N	-1	0	415.349	2.760	50	5		HFBARM
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1	ZINC000013303158	569410581	/nfs/dbraw/zinc/41/05/81/569410581.db2.gz	NQSQSODDYSCIEY-LALPHHSUSA-N	-1	0	415.349	2.760	50	5		HFBARM
COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004554632	558678715	/nfs/dbraw/zinc/67/87/15/558678715.db2.gz	OSIXKNMNHWPRQP-BBRMVZONSA-N	-1	0	404.400	2.611	50	5		HFBARM
CC(C)[C@@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000004611179	558853916	/nfs/dbraw/zinc/85/39/16/558853916.db2.gz	ONJOBRKDTHKTFV-XCMFGDQWSA-N	-1	0	411.414	2.591	50	5		HFBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(Br)cc3)[n+]2[O-])cc1	ZINC000004757850	559048795	/nfs/dbraw/zinc/04/87/95/559048795.db2.gz	QREXDQAGYOFTJW-UHFFFAOYSA-N	-1	0	406.196	2.929	50	5		HFBARM
O=C([O-])c1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004766931	559055229	/nfs/dbraw/zinc/05/52/29/559055229.db2.gz	AABVRAMPCNUXDC-UHFFFAOYSA-N	-1	0	408.414	2.666	50	5		HFBARM
COc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1N1CCCCC1=O	ZINC000005330200	560565685	/nfs/dbraw/zinc/56/56/85/560565685.db2.gz	UFSYIQKEHXESQX-UHFFFAOYSA-N	-1	0	405.432	2.921	50	5		HFBARM
O=c1nc2n(-c3ccc(Br)cc3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[n-]1	ZINC000000848937	568711289	/nfs/dbraw/zinc/71/12/89/568711289.db2.gz	SWOMLWGFXVZJJB-UHFFFAOYSA-N	-1	0	413.187	2.850	50	5		HFBARM
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1	ZINC000001167738	568775333	/nfs/dbraw/zinc/77/53/33/568775333.db2.gz	HRGJNHXILMPDRT-ZOWXZIJZSA-N	-1	0	415.349	2.760	50	5		HFBARM
Cc1nn(C)c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])cc(Cl)c2[O-])c1Cl	ZINC000002776569	568807836	/nfs/dbraw/zinc/80/78/36/568807836.db2.gz	SFSQDNJLVRHGGF-UHFFFAOYSA-N	-1	0	404.235	2.776	50	5		HFBARM
O=C(NCc1ccccn1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000008289939	568987468	/nfs/dbraw/zinc/98/74/68/568987468.db2.gz	LQVAUQVVJZSHCB-UHFFFAOYSA-N	-1	0	412.427	2.721	50	5		HFBARM
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O	ZINC000035877060	569063865	/nfs/dbraw/zinc/06/38/65/569063865.db2.gz	QTCDZFZPHYKERE-UHFFFAOYSA-N	-1	0	407.338	2.942	50	5		HFBARM
CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N1	ZINC000035973744	569069357	/nfs/dbraw/zinc/06/93/57/569069357.db2.gz	FSZMQNDQHGDUOZ-SFHVURJKSA-N	-1	0	413.386	2.551	50	5		HFBARM
O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cn2[n-]c(=O)ccc2=O)c1	ZINC000040152462	571200065	/nfs/dbraw/zinc/20/00/65/571200065.db2.gz	DPOSLMDYYUQGJK-UHFFFAOYSA-N	-1	0	412.427	2.636	50	5		HFBARM
CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000018190498	560781759	/nfs/dbraw/zinc/78/17/59/560781759.db2.gz	FQULRKZWCCGDQF-WBVHZDCISA-N	-1	0	412.789	2.571	50	5		HFBARM
O=c1/c(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)sc2nc3ccccc3n12	ZINC000000832392	568512126	/nfs/dbraw/zinc/51/21/26/568512126.db2.gz	FMCSDZQAPJKYQV-QPEQYQDCSA-N	-1	0	418.228	2.833	50	5		HFBARM
O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccccc1OCCn1ccnc1	ZINC000095466401	568624427	/nfs/dbraw/zinc/62/44/27/568624427.db2.gz	LHTXSQQSLUWYSN-UHFFFAOYSA-N	-1	0	402.432	2.812	50	5		HFBARM
Cc1nnc2ccc(-c3ccc([N-]S(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)nn12	ZINC000014057083	569258500	/nfs/dbraw/zinc/25/85/00/569258500.db2.gz	WNOPVQCMIYOSQN-UHFFFAOYSA-N	-1	0	410.415	2.809	50	5		HFBARM
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000007787327	569310610	/nfs/dbraw/zinc/31/06/10/569310610.db2.gz	SHPCUINDVWZRJA-ZDUSSCGKSA-N	-1	0	402.787	2.882	50	5		HFBARM
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)cc1[N+](=O)[O-]	ZINC000009442587	571259307	/nfs/dbraw/zinc/25/93/07/571259307.db2.gz	UEYWOQBTVWMPJO-UHFFFAOYSA-N	-1	0	409.811	2.638	50	5		HFBARM
COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004554634	558678644	/nfs/dbraw/zinc/67/86/44/558678644.db2.gz	OSIXKNMNHWPRQP-CJNGLKHVSA-N	-1	0	404.400	2.611	50	5		HFBARM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2N2CCCCC2)c([N+](=O)[O-])c1	ZINC000072274878	558700963	/nfs/dbraw/zinc/70/09/63/558700963.db2.gz	GURSPQIUSYMROA-UHFFFAOYSA-N	-1	0	418.475	2.793	50	5		HFBARM
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1	ZINC000100736555	559260131	/nfs/dbraw/zinc/26/01/31/559260131.db2.gz	NQSQSODDYSCIEY-YWPYICTPSA-N	-1	0	415.349	2.760	50	5		HFBARM
C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1	ZINC000017328231	560709246	/nfs/dbraw/zinc/70/92/46/560709246.db2.gz	FCSRCIBGGROFED-OKILXGFUSA-N	-1	0	419.459	2.645	50	5		HFBARM
CC(C)C[C@@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)[O-]	ZINC000002949193	568820519	/nfs/dbraw/zinc/82/05/19/568820519.db2.gz	ZAAHMCZTFYZBSA-UVQBRAAOSA-N	-1	0	415.402	2.574	50	5		HFBARM
CCOc1ccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)[O-])C2=O)c([N+](=O)[O-])c1	ZINC000019879308	569433083	/nfs/dbraw/zinc/43/30/83/569433083.db2.gz	CIMODUGKZNQRMF-AWEZNQCLSA-N	-1	0	417.399	2.511	50	5		HFBARM
COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000033912066	559292278	/nfs/dbraw/zinc/29/22/78/559292278.db2.gz	AFQVGTGXKPJKNQ-GOSISDBHSA-N	-1	0	422.401	2.828	50	5		HFBARM
CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2OC)cc1[N+](=O)[O-]	ZINC000003461084	568906829	/nfs/dbraw/zinc/90/68/29/568906829.db2.gz	JMLLQFGWQQEBKI-UHFFFAOYSA-N	-1	0	419.415	2.827	50	5		HFBARM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000035352890	569033478	/nfs/dbraw/zinc/03/34/78/569033478.db2.gz	RADRLKKOUZYSJG-KRWDZBQOSA-N	-1	0	412.402	2.966	50	5		HFBARM
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O	ZINC000035877055	569063838	/nfs/dbraw/zinc/06/38/38/569063838.db2.gz	ISZQITOHQXECQG-UHFFFAOYSA-N	-1	0	418.365	2.744	50	5		HFBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)n1	ZINC000002069187	569072977	/nfs/dbraw/zinc/07/29/77/569072977.db2.gz	KPDITNBTXIBQPH-UHFFFAOYSA-N	-1	0	413.415	2.746	50	5		HFBARM
CSCC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000006794393	569124586	/nfs/dbraw/zinc/12/45/86/569124586.db2.gz	BJIMQCBKRAEPBP-AWEZNQCLSA-N	-1	0	410.473	2.746	50	5		HFBARM
CCN1CCN(C(=O)c2oc3ccccc3c2[N-]C(=O)c2ccc([N+](=O)[O-])o2)CC1	ZINC000065329805	569225022	/nfs/dbraw/zinc/22/50/22/569225022.db2.gz	PNRWRDMZLHJAGO-UHFFFAOYSA-N	-1	0	412.402	2.964	50	5		HFBARM
CSCC[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc21)C(=O)[O-]	ZINC000002114526	569284462	/nfs/dbraw/zinc/28/44/62/569284462.db2.gz	HNXLGVMVYWXMQD-INIZCTEOSA-N	-1	0	401.440	2.648	50	5	biogenic	HFBARM
O=C(COc1ccc(I)cc1)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000009095029	569391568	/nfs/dbraw/zinc/39/15/68/569391568.db2.gz	MZXRCBPFAYKKKX-UHFFFAOYSA-N	-1	0	414.155	2.923	50	5		HFBARM
CC(C)[C@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000004611178	558853887	/nfs/dbraw/zinc/85/38/87/558853887.db2.gz	ONJOBRKDTHKTFV-WQJNHMDYSA-N	-1	0	411.414	2.591	50	5		HFBARM
COc1ccc(Cl)cc1N(CC(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000004853828	559191825	/nfs/dbraw/zinc/19/18/25/559191825.db2.gz	UVWOCACDZRICRF-UHFFFAOYSA-N	-1	0	414.823	2.845	50	5		HFBARM
CC(C)C[C@@H](NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)[O-]	ZINC000005092399	559243472	/nfs/dbraw/zinc/24/34/72/559243472.db2.gz	ZAAHMCZTFYZBSA-RBFDBLARSA-N	-1	0	415.402	2.574	50	5		HFBARM
COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000033912067	559292287	/nfs/dbraw/zinc/29/22/87/559292287.db2.gz	AFQVGTGXKPJKNQ-SFHVURJKSA-N	-1	0	422.401	2.828	50	5		HFBARM
O=C([O-])c1cc(NC(=O)CSc2nnc(-c3cccnc3)s2)cc([N+](=O)[O-])c1	ZINC000014944531	568456702	/nfs/dbraw/zinc/45/67/02/568456702.db2.gz	YTCRVDQQQOOAKN-UHFFFAOYSA-N	-1	0	417.428	2.937	50	5		HFBARM
O=C([O-])CCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000002697450	568801090	/nfs/dbraw/zinc/80/10/90/568801090.db2.gz	DDSFPFDUZKFHSD-UHFFFAOYSA-N	-1	0	416.415	2.525	50	5		HFBARM
COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2	ZINC000015732043	568982073	/nfs/dbraw/zinc/98/20/73/568982073.db2.gz	JXBWWXAJTFHENE-UHFFFAOYSA-N	-1	0	409.445	2.839	50	5		HFBARM
O=C([O-])[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(O)cc1	ZINC000006719371	569097781	/nfs/dbraw/zinc/09/77/81/569097781.db2.gz	JCHMGKNOWRPJPA-OAQYLSRUSA-N	-1	0	402.406	2.802	50	5		HFBARM
O=C1N[C@H](c2ccccc2[N+](=O)[O-])C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1	ZINC000009090197	571220382	/nfs/dbraw/zinc/22/03/82/571220382.db2.gz	XHWWAARUXDSGHW-ZOWXZIJZSA-N	-1	0	415.349	2.760	50	5		HFBARM
Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c3=O)cc1	ZINC000010251506	571298255	/nfs/dbraw/zinc/29/82/55/571298255.db2.gz	WMRISWUPYMMVKA-UHFFFAOYSA-N	-1	0	424.804	2.836	50	5		HFBARM
Cn1nc(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)ccc1=O	ZINC000010324906	571300419	/nfs/dbraw/zinc/30/04/19/571300419.db2.gz	WKGLBBCZRPWSOQ-UHFFFAOYSA-N	-1	0	420.834	2.810	50	5		HFBARM
Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1	ZINC000023157611	559022399	/nfs/dbraw/zinc/02/23/99/559022399.db2.gz	ICPNSURZCLNRLC-HFAKWTLXSA-N	-1	0	403.464	2.912	50	5		HFBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2CCCO2)cc1	ZINC000005885521	568828313	/nfs/dbraw/zinc/82/83/13/568828313.db2.gz	JLFGOBDZZKDJGG-QGZVFWFLSA-N	-1	0	419.459	2.613	50	5		HFBARM
O=C(Nc1cccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1)c1ccco1	ZINC000012521010	568841525	/nfs/dbraw/zinc/84/15/25/568841525.db2.gz	BPJAZXQPLJECHB-UHFFFAOYSA-N	-1	0	403.372	2.947	50	5		HFBARM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1[N+](=O)[O-]	ZINC000001766774	569052164	/nfs/dbraw/zinc/05/21/64/569052164.db2.gz	NHTLAHBFSFOUHZ-UHFFFAOYSA-N	-1	0	413.415	2.746	50	5		HFBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)no1	ZINC000001807193	569053529	/nfs/dbraw/zinc/05/35/29/569053529.db2.gz	YDOXZYDKIDASRR-UHFFFAOYSA-N	-1	0	402.388	2.944	50	5		HFBARM
COc1ccc([N+](=O)[O-])cc1N[C@H](CC(=O)Nc1cccc(C(C)=O)c1)C(=O)[O-]	ZINC000006590287	569068313	/nfs/dbraw/zinc/06/83/13/569068313.db2.gz	PBOHNULHPMPGTK-MRXNPFEDSA-N	-1	0	401.375	2.700	50	5		HFBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1	ZINC000002309454	569372092	/nfs/dbraw/zinc/37/20/92/569372092.db2.gz	PBXSVUOHSYXTOG-UHFFFAOYSA-N	-1	0	413.415	2.746	50	5		HFBARM
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1	ZINC000013303155	569410657	/nfs/dbraw/zinc/41/06/57/569410657.db2.gz	NQSQSODDYSCIEY-JMSVASOKSA-N	-1	0	415.349	2.760	50	5		HFBARM