smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-n2c3cccc(Cl)c3cc3c(=O)[n-]c(=O)nc2-3)cc1	ZINC000002474659	204041635	/nfs/dbraw/zinc/04/16/35/204041635.db2.gz	HAGHHSYBFGUVHT-UHFFFAOYSA-N	-1	0	353.765	2.841	50	5		FFBARM
O=C([O-])[C@@H]1CS[C@H](c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)N1	ZINC000004554623	204146875	/nfs/dbraw/zinc/14/68/75/204146875.db2.gz	CCTDWUJMYXFBBE-LSDHHAIUSA-N	-1	0	374.374	2.602	50	5		FFBARM
O=C1CCCN1c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000005329477	204202882	/nfs/dbraw/zinc/20/28/82/204202882.db2.gz	HNLDDTMLPSENCX-UHFFFAOYSA-N	-1	0	361.379	2.522	50	5		FFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)cc1	ZINC000006502401	204251483	/nfs/dbraw/zinc/25/14/83/204251483.db2.gz	HWCIVCJHWPPQOA-UHFFFAOYSA-N	-1	0	358.379	2.640	50	5		FFBARM
O=C([O-])CCC(=O)Nc1sccc1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000017074709	507115155	/nfs/dbraw/zinc/11/51/55/507115155.db2.gz	NYNUPERRJGDAQD-UHFFFAOYSA-N	-1	0	363.351	2.712	50	5		FFBARM
Cc1c(F)cc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)cc1[N+](=O)[O-]	ZINC000097164908	508220763	/nfs/dbraw/zinc/22/07/63/508220763.db2.gz	OPCLIDGLJVNVIP-UHFFFAOYSA-N	-1	0	350.331	2.719	50	5		FFBARM
O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000004825384	204166827	/nfs/dbraw/zinc/16/68/27/204166827.db2.gz	FRYJCELSVCBHRN-UHFFFAOYSA-N	-1	0	371.378	2.612	50	5		FFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000004550754	204145107	/nfs/dbraw/zinc/14/51/07/204145107.db2.gz	HYGDUFXRXPBFCD-UHFFFAOYSA-N	-1	0	357.731	2.957	50	5		FFBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(Cl)=CC[C@H]1C(=O)[O-]	ZINC000004949486	204180139	/nfs/dbraw/zinc/18/01/39/204180139.db2.gz	DHZWDJJUPAFQHR-MNOVXSKESA-N	-1	0	354.746	2.775	50	5		FFBARM
Cc1ccccc1Cn1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000006373284	206241571	/nfs/dbraw/zinc/24/15/71/206241571.db2.gz	RMNZUQCWHJVYPS-UHFFFAOYSA-N	-1	0	372.406	2.949	50	5		FFBARM
O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1cc([N+](=O)[O-])cc(Cl)c1[O-]	ZINC000018100226	507137273	/nfs/dbraw/zinc/13/72/73/507137273.db2.gz	DZTFGCJGJWKJHR-IUCAKERBSA-N	-1	0	357.149	2.976	50	5		FFBARM
O=C1NC(=S)NC1=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC000105417100	508373186	/nfs/dbraw/zinc/37/31/86/508373186.db2.gz	FWVYBQDYOSOHBL-KPKJPENVSA-N	-1	0	359.338	2.871	50	5		FFBARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000004062834	204119835	/nfs/dbraw/zinc/11/98/35/204119835.db2.gz	PWRZZSWBHNNYBS-UHFFFAOYSA-N	-1	0	352.368	2.721	50	5		FFBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3cccc(Cl)c3)[n+]2[O-])cc1	ZINC000004922710	204176552	/nfs/dbraw/zinc/17/65/52/204176552.db2.gz	UVELYTKGBFIQMT-UHFFFAOYSA-N	-1	0	361.745	2.820	50	5		FFBARM
O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000004995009	204182814	/nfs/dbraw/zinc/18/28/14/204182814.db2.gz	BQZDVZXYLMCOBV-FPYGCLRLSA-N	-1	0	361.354	2.966	50	5		FFBARM
O=C([O-])c1ccc2[nH]c(CCCOC(=O)c3ccc([N+](=O)[O-])cc3)nc2c1	ZINC000005807393	204225900	/nfs/dbraw/zinc/22/59/00/204225900.db2.gz	FTCZPILVOBEFAW-UHFFFAOYSA-N	-1	0	369.333	2.959	50	5		FFBARM
Cc1cc(C)nc(Sc2c([N+](=O)[O-])cc(C(=O)[O-])cc2[N+](=O)[O-])n1	ZINC000008894364	204347659	/nfs/dbraw/zinc/34/76/59/204347659.db2.gz	FBFCXASHNNHALQ-UHFFFAOYSA-N	-1	0	350.312	2.759	50	5		FFBARM
COC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)c(F)c1	ZINC000119719007	206106093	/nfs/dbraw/zinc/10/60/93/206106093.db2.gz	BCXLPFFRZFVFCH-ZDUSSCGKSA-N	-1	0	352.293	2.696	50	5		FFBARM
COc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1[N+](=O)[O-]	ZINC000004263014	206235831	/nfs/dbraw/zinc/23/58/31/206235831.db2.gz	HWCWNRJKSBHSJB-UHFFFAOYSA-N	-1	0	350.352	2.607	50	5		FFBARM
O=c1nc2n(-c3ccc(Br)cc3)c3ccccc3cc-2c(=O)[n-]1	ZINC000002253240	204029753	/nfs/dbraw/zinc/02/97/53/204029753.db2.gz	CVGXFTQCRQQAFX-UHFFFAOYSA-N	-1	0	368.190	2.941	50	5		FFBARM
Cc1ccc(C(=O)[O-])cc1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000008780382	204346108	/nfs/dbraw/zinc/34/61/08/204346108.db2.gz	QRUCXIIEIGHKSG-UHFFFAOYSA-N	-1	0	350.352	2.749	50	5		FFBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccnc2N(C)C)c1Cl	ZINC000225401018	206477023	/nfs/dbraw/zinc/47/70/23/206477023.db2.gz	JWVPXCCFARHMHC-UHFFFAOYSA-N	-1	0	370.818	2.818	50	5		FFBARM
COc1cc(CN2CCN(c3ccc(C)cc3)CC2)cc([N+](=O)[O-])c1[O-]	ZINC000004980247	506411590	/nfs/dbraw/zinc/41/15/90/506411590.db2.gz	IXDVAXNWWNGSIG-UHFFFAOYSA-N	-1	0	357.410	2.940	50	5		FFBARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1F	ZINC000012557002	506878536	/nfs/dbraw/zinc/87/85/36/506878536.db2.gz	SSDURADCIYGTSP-UHFFFAOYSA-N	-1	0	358.322	2.991	50	5		FFBARM
COc1ccc(Cc2n[n-]/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000017208925	507119142	/nfs/dbraw/zinc/11/91/42/507119142.db2.gz	TZEPNMKDWCCHDS-UHFFFAOYSA-N	-1	0	370.390	2.720	50	5		FFBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nccc(-c2ccco2)n1	ZINC000097379299	508224114	/nfs/dbraw/zinc/22/41/14/508224114.db2.gz	REZSAMCEHRIWCR-UHFFFAOYSA-N	-1	0	360.351	2.754	50	5		FFBARM
O=C([O-])C[C@H](NC(=O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1	ZINC000000116208	506224867	/nfs/dbraw/zinc/22/48/67/506224867.db2.gz	OYTFGGYGHNOYIO-ZDUSSCGKSA-N	-1	0	350.277	2.819	50	5		FFBARM
COc1ccc(C)cc1NC(=O)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000013053754	506927140	/nfs/dbraw/zinc/92/71/40/506927140.db2.gz	PKJJNSQKGGBWBS-UHFFFAOYSA-N	-1	0	360.322	2.628	50	5		FFBARM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccnc(C(C)(C)C)n1	ZINC000095944146	508198555	/nfs/dbraw/zinc/19/85/55/508198555.db2.gz	IHUBQVMTUARUSH-UHFFFAOYSA-N	-1	0	350.400	2.792	50	5		FFBARM
CCn1cc(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2OC)c([N+](=O)[O-])n1	ZINC000083843358	508258804	/nfs/dbraw/zinc/25/88/04/508258804.db2.gz	WEFCBMGTNDODIW-UHFFFAOYSA-N	-1	0	374.806	2.582	50	5		FFBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3cc(C)ccc3C)[n+]2[O-])cc1	ZINC000004822044	204166370	/nfs/dbraw/zinc/16/63/70/204166370.db2.gz	DPHVIDXPOPEXFA-UHFFFAOYSA-N	-1	0	355.354	2.783	50	5		FFBARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005650268	204220112	/nfs/dbraw/zinc/22/01/12/204220112.db2.gz	CLGVCJFAHFIZIR-INIZCTEOSA-N	-1	0	353.334	2.502	50	5		FFBARM
COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2[O-])cc1	ZINC000004981492	204182500	/nfs/dbraw/zinc/18/25/00/204182500.db2.gz	LMSJYWVQFOVVCM-RUDMXATFSA-N	-1	0	373.390	2.835	50	5		FFBARM
O=[N+]([O-])c1cnc([N-]c2cnn(Cc3ccccc3)c2)nc1NC1CC1	ZINC000052488610	205186005	/nfs/dbraw/zinc/18/60/05/205186005.db2.gz	OEIFDKANHBEYJR-UHFFFAOYSA-N	-1	0	351.370	2.948	50	5		FFBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Br)cn2)c1	ZINC000004147878	206169401	/nfs/dbraw/zinc/16/94/01/206169401.db2.gz	BPIINRGRBQJQIS-UHFFFAOYSA-N	-1	0	358.173	2.553	50	5		FFBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(Oc3ccccc3)c2)[nH]1	ZINC000030840487	507813580	/nfs/dbraw/zinc/81/35/80/507813580.db2.gz	RTCGNVREZYDKKV-KTKRTIGZSA-N	-1	0	351.318	2.934	50	5		FFBARM
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@](CO)(Cc2ccc(F)cc2)C1	ZINC000365674205	511594666	/nfs/dbraw/zinc/59/46/66/511594666.db2.gz	KPOOMIFNIJEZGI-IBGZPJMESA-N	-1	0	374.368	2.507	50	5		FFBARM
Cc1cc([N+](=O)[O-])ccc1[N-]c1c2nonc2c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000102101249	570826959	/nfs/dbraw/zinc/82/69/59/570826959.db2.gz	CJLNZMLXXPXHEP-UHFFFAOYSA-N	-1	0	360.242	2.999	50	5		FFBARM
CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000004581082	204148214	/nfs/dbraw/zinc/14/82/14/204148214.db2.gz	LJWSEVGWIRJZAO-MRXNPFEDSA-N	-1	0	358.350	2.939	50	5		FFBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(C)cc3C)[n+]2[O-])cc1	ZINC000004822039	204166336	/nfs/dbraw/zinc/16/63/36/204166336.db2.gz	SDVSFBLYYKJZBE-UHFFFAOYSA-N	-1	0	355.354	2.783	50	5		FFBARM
COc1cccc([N-]c2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])c1	ZINC000004821947	204166983	/nfs/dbraw/zinc/16/69/83/204166983.db2.gz	MGTXXJHOVJSYCA-UHFFFAOYSA-N	-1	0	361.745	2.820	50	5		FFBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(Cl)=CC[C@H]1C(=O)[O-]	ZINC000004949485	204179092	/nfs/dbraw/zinc/17/90/92/204179092.db2.gz	DHZWDJJUPAFQHR-GHMZBOCLSA-N	-1	0	354.746	2.775	50	5		FFBARM
Cc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c(C)c1	ZINC000103945269	206235364	/nfs/dbraw/zinc/23/53/64/206235364.db2.gz	PEODFDAIUIXEHI-DOTOQJQBSA-N	-1	0	365.345	2.504	50	5		FFBARM
COc1ccccc1N1CCN(c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000003913728	132386135	/nfs/dbraw/zinc/38/61/35/132386135.db2.gz	TZLGMKLNNREXRR-UHFFFAOYSA-N	-1	0	357.366	2.628	50	5		FFBARM
O=C(c1ccc([O-])c(Cl)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000048355201	136123518	/nfs/dbraw/zinc/12/35/18/136123518.db2.gz	GBCJZEOANSHSJD-UHFFFAOYSA-N	-1	0	361.785	2.916	50	5		FFBARM
COc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)c([N+](=O)[O-])c1	ZINC000013815901	506957238	/nfs/dbraw/zinc/95/72/38/506957238.db2.gz	HJBZVUAIPZKDKG-UHFFFAOYSA-N	-1	0	359.363	2.952	50	5		FFBARM
Cc1cc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-]	ZINC000014632519	506995687	/nfs/dbraw/zinc/99/56/87/506995687.db2.gz	QGAPUQFZYDJZGV-JSGCOSHPSA-N	-1	0	366.370	2.745	50	5		FFBARM
O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000019789796	507201447	/nfs/dbraw/zinc/20/14/47/507201447.db2.gz	VCRWXPQSGNPDIF-CQSZACIVSA-N	-1	0	372.358	2.717	50	5		FFBARM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c([N+](=O)[O-])c1	ZINC000028195828	507712978	/nfs/dbraw/zinc/71/29/78/507712978.db2.gz	DTAPKZJJSGTDQN-UHFFFAOYSA-N	-1	0	364.379	2.799	50	5		FFBARM
O=C(NCc1n[n-]c(=S)o1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	ZINC000225578977	509378452	/nfs/dbraw/zinc/37/84/52/509378452.db2.gz	PPRZWUQNPKPZQK-UHFFFAOYSA-N	-1	0	372.362	2.989	50	5		FFBARM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCO[C@]2(CCc3ccccc32)C1	ZINC000164997049	509549668	/nfs/dbraw/zinc/54/96/68/509549668.db2.gz	CQJCSFGZZCVDNF-LJQANCHMSA-N	-1	0	354.362	2.615	50	5		FFBARM
COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl	ZINC000008092205	206246309	/nfs/dbraw/zinc/24/63/09/206246309.db2.gz	LMPKFKYVAXLWGS-UHFFFAOYSA-N	-1	0	370.770	2.836	50	5		FFBARM
CCOc1ccccc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC000130318147	132251170	/nfs/dbraw/zinc/25/11/70/132251170.db2.gz	NWDHVAJYVVKFNS-UHFFFAOYSA-N	-1	0	371.393	2.662	50	5		FFBARM
O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000020255007	507217014	/nfs/dbraw/zinc/21/70/14/507217014.db2.gz	NJTHPOSQGFJTDP-UHFFFAOYSA-N	-1	0	356.743	2.747	50	5		FFBARM
O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000095456916	508186680	/nfs/dbraw/zinc/18/66/80/508186680.db2.gz	UYKQKWZULUSPQL-UHFFFAOYSA-N	-1	0	370.340	2.598	50	5		FFBARM
CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c1=O	ZINC000100502050	209214947	/nfs/dbraw/zinc/21/49/47/209214947.db2.gz	GOMMEKHRHSEIGS-UHFFFAOYSA-N	-1	0	369.333	2.593	50	5		FFBARM
O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000004159153	207003611	/nfs/dbraw/zinc/00/36/11/207003611.db2.gz	VCRWXPQSGNPDIF-AWEZNQCLSA-N	-1	0	372.358	2.717	50	5		FFBARM
CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000004241053	207007827	/nfs/dbraw/zinc/00/78/27/207007827.db2.gz	ZXZASBNTHVRNBK-KRWDZBQOSA-N	-1	0	350.371	2.992	50	5		FFBARM
O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000005513540	506446123	/nfs/dbraw/zinc/44/61/23/506446123.db2.gz	GWGPUZKENIMKME-OAHLLOKOSA-N	-1	0	362.769	2.603	50	5		FFBARM
COC(=O)c1sccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000009367476	506693960	/nfs/dbraw/zinc/69/39/60/506693960.db2.gz	XHXMIZWEFXDUQI-UHFFFAOYSA-N	-1	0	356.381	2.552	50	5		FFBARM
CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000005898456	209505425	/nfs/dbraw/zinc/50/54/25/209505425.db2.gz	HSJCWVDFTCHDGQ-UHFFFAOYSA-N	-1	0	364.379	2.962	50	5		FFBARM
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)c1	ZINC000005652749	209447692	/nfs/dbraw/zinc/44/76/92/209447692.db2.gz	LRMNXCWUIPZJJY-UHFFFAOYSA-N	-1	0	352.368	2.721	50	5		FFBARM
CC(C)(C)Cc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000002727625	209396790	/nfs/dbraw/zinc/39/67/90/209396790.db2.gz	JQUAWURUNNGGIN-UHFFFAOYSA-N	-1	0	356.429	2.836	50	5		FFBARM
CCOc1ccccc1[N-]c1c([N+](=O)[O-])nn(-c2ccc(OC)cc2)[n+]1[O-]	ZINC000004758057	207046168	/nfs/dbraw/zinc/04/61/68/207046168.db2.gz	CADKTFJZPHOURM-UHFFFAOYSA-N	-1	0	371.353	2.565	50	5		FFBARM
CCc1ccc([N-]c2c([N+](=O)[O-])nn(-c3ccc(OC)cc3)[n+]2[O-])cc1	ZINC000004919881	207062171	/nfs/dbraw/zinc/06/21/71/207062171.db2.gz	BPNNATXGBMXZSS-UHFFFAOYSA-N	-1	0	355.354	2.729	50	5		FFBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1C	ZINC000036383919	207283133	/nfs/dbraw/zinc/28/31/33/207283133.db2.gz	XFRCIYKIODRRGT-UHFFFAOYSA-N	-1	0	350.352	2.711	50	5		FFBARM
Cc1ccc(-c2nn3c(CCC(=O)[O-])nc4ccccc4c3nc2=O)cc1C	ZINC000032934900	208059500	/nfs/dbraw/zinc/05/95/00/208059500.db2.gz	BARQLFOGVZVQGD-UHFFFAOYSA-N	-1	0	374.400	2.939	50	5		FFBARM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl	ZINC000001074018	219365423	/nfs/dbraw/zinc/36/54/23/219365423.db2.gz	OSXZYMWRINDRCS-UHFFFAOYSA-N	-1	0	370.770	2.836	50	5		FFBARM
O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@@H](COCc2ccccc2)C1	ZINC000170618720	209375746	/nfs/dbraw/zinc/37/57/46/209375746.db2.gz	LHUGFIDKSJVCBR-OAHLLOKOSA-N	-1	0	356.378	2.979	50	5		FFBARM
Cc1c(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cccc1C(=O)[O-]	ZINC000002213344	506274668	/nfs/dbraw/zinc/27/46/68/506274668.db2.gz	CPSJNNRYDDTTJW-UHFFFAOYSA-N	-1	0	359.363	2.728	50	5		FFBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCC(C)C	ZINC000003905021	506351657	/nfs/dbraw/zinc/35/16/57/506351657.db2.gz	LUKQKODVKFUTNI-GQCTYLIASA-N	-1	0	361.354	2.598	50	5		FFBARM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000004973910	506411444	/nfs/dbraw/zinc/41/14/44/506411444.db2.gz	CUTSJFYTNBXGGV-UHFFFAOYSA-N	-1	0	370.770	2.836	50	5		FFBARM
O=C1CCCN1c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000005329474	506435845	/nfs/dbraw/zinc/43/58/45/506435845.db2.gz	HGZUCGPAPAOLED-UHFFFAOYSA-N	-1	0	361.379	2.522	50	5		FFBARM
O=C([O-])C[C@@H](NC(=O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1	ZINC000000116204	206813429	/nfs/dbraw/zinc/81/34/29/206813429.db2.gz	OYTFGGYGHNOYIO-CYBMUJFWSA-N	-1	0	350.277	2.819	50	5		FFBARM
COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C(=O)[O-])cc1OC	ZINC000004580483	207030035	/nfs/dbraw/zinc/03/00/35/207030035.db2.gz	LKUSCKCPCPINEK-UHFFFAOYSA-N	-1	0	360.322	2.871	50	5		FFBARM
CCOc1ccccc1N1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000163972635	132261061	/nfs/dbraw/zinc/26/10/61/132261061.db2.gz	DPTAVGLVQUGERK-UHFFFAOYSA-N	-1	0	371.393	2.662	50	5		FFBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Br)cn1	ZINC000013331874	506939203	/nfs/dbraw/zinc/93/92/03/506939203.db2.gz	CJYUQJYZFYAGFY-UHFFFAOYSA-N	-1	0	358.173	2.553	50	5		FFBARM
O=C1N/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C(=O)N1Cc1ccccc1F	ZINC000013546728	506943217	/nfs/dbraw/zinc/94/32/17/506943217.db2.gz	XLEBKQWWZYVUIE-RIYZIHGNSA-N	-1	0	357.297	2.532	50	5		FFBARM
O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC/C1=C/c1ccc([N+](=O)[O-])cc1	ZINC000097993520	209892172	/nfs/dbraw/zinc/89/21/72/209892172.db2.gz	IDADMUVIKVETNP-XFXZXTDPSA-N	-1	0	363.329	2.947	50	5		FFBARM
CCC[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc21)C(=O)[O-]	ZINC000002115387	209393279	/nfs/dbraw/zinc/39/32/79/209393279.db2.gz	MHXUYBXCCUMQJU-INIZCTEOSA-N	-1	0	369.373	2.695	50	5	biogenic	FFBARM
CCC[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc21)C(=O)[O-]	ZINC000002115389	209392990	/nfs/dbraw/zinc/39/29/90/209392990.db2.gz	MHXUYBXCCUMQJU-MRXNPFEDSA-N	-1	0	369.373	2.695	50	5	biogenic	FFBARM
CC[C@@H](C)Oc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000005041313	207074821	/nfs/dbraw/zinc/07/48/21/207074821.db2.gz	YWRSRJLSXAEOLX-BREXMAIKSA-N	-1	0	361.354	2.740	50	5		FFBARM
O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000005329213	207094291	/nfs/dbraw/zinc/09/42/91/207094291.db2.gz	FEEXKOJCQOBYBV-UHFFFAOYSA-N	-1	0	361.379	2.522	50	5		FFBARM
CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cnc21	ZINC000032097939	208025225	/nfs/dbraw/zinc/02/52/25/208025225.db2.gz	LCIYMVICWSARKX-UHFFFAOYSA-N	-1	0	361.383	2.721	50	5		FFBARM
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)c(C)c1	ZINC000035287017	208122160	/nfs/dbraw/zinc/12/21/60/208122160.db2.gz	NLKTYVIZVYUHPB-UHFFFAOYSA-N	-1	0	371.393	2.936	50	5		FFBARM
CCn1c2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)[O-])c2c(=O)[nH]c1=S	ZINC000036617204	208166289	/nfs/dbraw/zinc/16/62/89/208166289.db2.gz	KRWOZXQEZPPGJE-UHFFFAOYSA-N	-1	0	372.362	2.747	50	5		FFBARM
O=C(Nc1ccc(F)cc1)c1nc[n-]c1C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000004689817	506388844	/nfs/dbraw/zinc/38/88/44/506388844.db2.gz	NKOGVOYFHSQZEN-UHFFFAOYSA-N	-1	0	369.312	2.962	50	5		FFBARM
O=C([N-]c1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccc([N+](=O)[O-])s1	ZINC000011634780	506785053	/nfs/dbraw/zinc/78/50/53/506785053.db2.gz	MRSVMKISDWYQTQ-UHFFFAOYSA-N	-1	0	374.334	2.730	50	5		FFBARM
O=C(Nc1ccc(F)cc1)c1nc[n-]c1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000013153392	506930222	/nfs/dbraw/zinc/93/02/22/506930222.db2.gz	HLKAEXXJVCZHGX-UHFFFAOYSA-N	-1	0	369.312	2.962	50	5		FFBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1C	ZINC000013299912	506935852	/nfs/dbraw/zinc/93/58/52/506935852.db2.gz	HWBRFNUUAIKSPA-UHFFFAOYSA-N	-1	0	350.352	2.711	50	5		FFBARM
COc1cccc(-n2c(CCn3nc(C)c([N+](=O)[O-])c3C)n[n-]c2=S)c1	ZINC000005425015	207099475	/nfs/dbraw/zinc/09/94/75/207099475.db2.gz	TYTVCIUEWWAGKM-UHFFFAOYSA-N	-1	0	374.426	2.903	50	5		FFBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(Oc3ccccc3)c2)[nH]1	ZINC000009234693	207261889	/nfs/dbraw/zinc/26/18/89/207261889.db2.gz	RTCGNVREZYDKKV-MDZDMXLPSA-N	-1	0	351.318	2.934	50	5		FFBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(OCc3ccccc3)c2)[nH]1	ZINC000009234729	207262666	/nfs/dbraw/zinc/26/26/66/207262666.db2.gz	KNWBIJXVMXXDKR-MDZDMXLPSA-N	-1	0	365.345	2.721	50	5		FFBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccn(Cc2ccccc2)n1	ZINC000014231386	207511982	/nfs/dbraw/zinc/51/19/82/207511982.db2.gz	JBOSWUDYLISJIK-UHFFFAOYSA-N	-1	0	358.379	2.640	50	5		FFBARM
O=C(NCc1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000057294249	221086074	/nfs/dbraw/zinc/08/60/74/221086074.db2.gz	GBSLVIUDDSFJMR-UHFFFAOYSA-N	-1	0	351.156	2.993	50	5		FFBARM
O=C([O-])C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000003883360	132385852	/nfs/dbraw/zinc/38/58/52/132385852.db2.gz	MTADAWJHMIIAAP-UHFFFAOYSA-N	-1	0	363.248	2.823	50	5		FFBARM
COC(=O)c1ccccc1[N-]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000104233822	508330660	/nfs/dbraw/zinc/33/06/60/508330660.db2.gz	UTCXICOXOQHJIQ-UHFFFAOYSA-N	-1	0	362.254	2.941	50	5		FFBARM
Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000004371760	207016288	/nfs/dbraw/zinc/01/62/88/207016288.db2.gz	VMOYFKVYDOEGOU-UHFFFAOYSA-N	-1	0	361.301	2.997	50	5		FFBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3cc(C)cc(C)c3)[n+]2[O-])cc1	ZINC000004821973	207050610	/nfs/dbraw/zinc/05/06/10/207050610.db2.gz	ORSGGHAAPXMXHJ-UHFFFAOYSA-N	-1	0	355.354	2.783	50	5		FFBARM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)c([N+](=O)[O-])c1	ZINC000028195799	507713024	/nfs/dbraw/zinc/71/30/24/507713024.db2.gz	TZTCZWIPKSAXOT-UHFFFAOYSA-N	-1	0	364.379	2.799	50	5		FFBARM
CC(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000943458	206848374	/nfs/dbraw/zinc/84/83/74/206848374.db2.gz	GBRLAQINSRFYTB-UHFFFAOYSA-N	-1	0	364.379	2.961	50	5		FFBARM
O=C([O-])[C@@H]1CS[C@H](c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)N1	ZINC000004554635	207028124	/nfs/dbraw/zinc/02/81/24/207028124.db2.gz	OGMCAQIDQQEMFC-LSDHHAIUSA-N	-1	0	374.374	2.602	50	5		FFBARM
O=C([O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	ZINC000004964733	207066137	/nfs/dbraw/zinc/06/61/37/207066137.db2.gz	GNDDAJZIDWBMGU-RTLPCREESA-N	-1	0	358.394	2.994	50	5		FFBARM
COc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC000024992686	207880545	/nfs/dbraw/zinc/88/05/45/207880545.db2.gz	QGHOTCHFOBABRO-CYBMUJFWSA-N	-1	0	362.313	2.940	50	5		FFBARM
COc1cc2c(cc1OC)CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)CC2	ZINC000035310607	208122357	/nfs/dbraw/zinc/12/23/57/208122357.db2.gz	MWHSKCCUQWYNOR-UHFFFAOYSA-N	-1	0	358.350	2.516	50	5		FFBARM
CN(C)c1cc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc2n1	ZINC000096004349	209095619	/nfs/dbraw/zinc/09/56/19/209095619.db2.gz	QYDOOOYUUBYGLN-UHFFFAOYSA-N	-1	0	366.377	2.845	50	5		FFBARM
COC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000004289708	506369446	/nfs/dbraw/zinc/36/94/46/506369446.db2.gz	PDAZAZPXOPYYIG-UHFFFAOYSA-N	-1	0	370.770	2.836	50	5		FFBARM
CN1CCc2c(sc3c2C(=O)N[C@@H](c2cc([O-])ccc2[N+](=O)[O-])N3)C1	ZINC000018151895	507141507	/nfs/dbraw/zinc/14/15/07/507141507.db2.gz	RYQQMBMIOLYZOT-CQSZACIVSA-N	-1	0	360.395	2.779	50	5		FFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)cn2)cc1	ZINC000013331870	220064844	/nfs/dbraw/zinc/06/48/44/220064844.db2.gz	BAIXOJLNEYLMIY-UHFFFAOYSA-N	-1	0	358.173	2.553	50	5		FFBARM
O=C([O-])c1ccc(N2C(=O)C/C(=C\c3ccc([N+](=O)[O-])s3)C2=O)cc1	ZINC000009047315	210814967	/nfs/dbraw/zinc/81/49/67/210814967.db2.gz	HBNQWOWFLLTWJD-JXMROGBWSA-N	-1	0	358.331	2.701	50	5		FFBARM
Cc1ccc(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)[n-]c(=O)nc2-3)c(C)c1	ZINC000002233663	210385394	/nfs/dbraw/zinc/38/53/94/210385394.db2.gz	UHAJDEIOOPHQGV-UHFFFAOYSA-N	-1	0	362.345	2.704	50	5		FFBARM
CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000004955088	506409473	/nfs/dbraw/zinc/40/94/73/506409473.db2.gz	WHMVVIRETQGBFQ-UHFFFAOYSA-N	-1	0	358.306	2.722	50	5		FFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1	ZINC000006316225	506475553	/nfs/dbraw/zinc/47/55/53/506475553.db2.gz	YTVSWPAIZAIGCC-UHFFFAOYSA-N	-1	0	350.352	2.557	50	5		FFBARM
O=c1/c(=C/c2cc([N+](=O)[O-])c([O-])cc2Cl)sc2nc3ccccc3n12	ZINC000000713086	210263616	/nfs/dbraw/zinc/26/36/16/210263616.db2.gz	SBBZDJCUXUHVPQ-NSIKDUERSA-N	-1	0	373.777	2.724	50	5		FFBARM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000004580581	210541986	/nfs/dbraw/zinc/54/19/86/210541986.db2.gz	LUFNQFRCYVVWIL-OAHLLOKOSA-N	-1	0	358.350	2.858	50	5		FFBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cnn(Cc2ccccc2)c1	ZINC000002762815	506290215	/nfs/dbraw/zinc/29/02/15/506290215.db2.gz	KYUHQVNQBXAICU-UHFFFAOYSA-N	-1	0	358.379	2.640	50	5		FFBARM
Cc1ccc(-c2nn3c(CCC(=O)[O-])nc4ccccc4c3nc2=O)cc1	ZINC000032934896	506314671	/nfs/dbraw/zinc/31/46/71/506314671.db2.gz	FAEGKDDKLAMHSZ-UHFFFAOYSA-N	-1	0	360.373	2.630	50	5		FFBARM
COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000004182108	506363894	/nfs/dbraw/zinc/36/38/94/506363894.db2.gz	JFFYHMXFECZUKA-UHFFFAOYSA-N	-1	0	357.366	2.628	50	5		FFBARM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)cc2s1	ZINC000004597164	506385042	/nfs/dbraw/zinc/38/50/42/506385042.db2.gz	CUNISMNPBLOCQE-UHFFFAOYSA-N	-1	0	351.365	2.711	50	5		FFBARM
COc1ccc(N2C(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)NC2=S)cc1	ZINC000101393550	570819736	/nfs/dbraw/zinc/81/97/36/570819736.db2.gz	DXISIYMKYAGJJK-MDWZMJQESA-N	-1	0	371.374	2.571	50	5		FFBARM
COC(Cn1c(=O)c2sc3ccc([N+](=O)[O-])cc3c2[n-]c1=S)OC	ZINC000102726024	570836578	/nfs/dbraw/zinc/83/65/78/570836578.db2.gz	LBEMZABZCSJHBG-UHFFFAOYSA-N	-1	0	367.408	2.801	50	5		FFBARM
COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000004580625	506383400	/nfs/dbraw/zinc/38/34/00/506383400.db2.gz	WDZABVQGBLMJRP-HNNXBMFYSA-N	-1	0	358.350	2.858	50	5		FFBARM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1nc2ccccc2[nH]1	ZINC000006270487	506474399	/nfs/dbraw/zinc/47/43/99/506474399.db2.gz	ISLNNYHUXDNIMC-UHFFFAOYSA-N	-1	0	352.759	2.925	50	5		FFBARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000007708470	506584298	/nfs/dbraw/zinc/58/42/98/506584298.db2.gz	JBUMMXGXZMWAHP-UHFFFAOYSA-N	-1	0	352.368	2.721	50	5		FFBARM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1C	ZINC000000459009	219304759	/nfs/dbraw/zinc/30/47/59/219304759.db2.gz	YCXSKXINYZRFOL-UHFFFAOYSA-N	-1	0	350.352	2.711	50	5		FFBARM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCO[C@@H](CCc2ccccc2)C1	ZINC000120127297	222517856	/nfs/dbraw/zinc/51/78/56/222517856.db2.gz	UPYUMAFDINAPAW-INIZCTEOSA-N	-1	0	356.378	2.774	50	5		FFBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000006316542	506476202	/nfs/dbraw/zinc/47/62/02/506476202.db2.gz	YWRZIKNZLDLPRJ-UHFFFAOYSA-N	-1	0	355.303	2.751	50	5		FFBARM
COc1ccc(OC)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000005598819	506450417	/nfs/dbraw/zinc/45/04/17/506450417.db2.gz	OOCUBPMAELCYBN-UHFFFAOYSA-N	-1	0	352.368	2.721	50	5		FFBARM
O=C(Nc1cccc(Cl)c1)C([O-])=Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]	ZINC000006224890	506472460	/nfs/dbraw/zinc/47/24/60/506472460.db2.gz	NBQUQSCGAPZIOO-UHFFFAOYSA-N	-1	0	363.713	2.907	50	5		FFBARM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)c([N+](=O)[O-])c1	ZINC000028195588	507712655	/nfs/dbraw/zinc/71/26/55/507712655.db2.gz	VLFUKMSSAMLURI-UHFFFAOYSA-N	-1	0	364.379	2.799	50	5		FFBARM
O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000020219099	211272719	/nfs/dbraw/zinc/27/27/19/211272719.db2.gz	DNIHQSASMWKORP-UHFFFAOYSA-N	-1	0	356.743	2.747	50	5		FFBARM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(F)F	ZINC000004503669	506379451	/nfs/dbraw/zinc/37/94/51/506379451.db2.gz	YVVYTZZKZHKZIS-HWKANZROSA-N	-1	0	369.280	2.554	50	5		FFBARM
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1C	ZINC000005602274	506449870	/nfs/dbraw/zinc/44/98/70/506449870.db2.gz	FBZVIYRENLWWBI-UHFFFAOYSA-N	-1	0	364.379	2.784	50	5		FFBARM
COC(=O)c1sccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C	ZINC000007323693	506553024	/nfs/dbraw/zinc/55/30/24/506553024.db2.gz	HJFSBBFWBKMFMX-UHFFFAOYSA-N	-1	0	370.408	2.861	50	5		FFBARM
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1Cn1ccnc1	ZINC000095995788	508200570	/nfs/dbraw/zinc/20/05/70/508200570.db2.gz	ORSYLDDGVGZQDR-UHFFFAOYSA-N	-1	0	372.406	2.949	50	5		FFBARM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000004601110	210544659	/nfs/dbraw/zinc/54/46/59/210544659.db2.gz	RSCCTXHEJWOOSE-CQSZACIVSA-N	-1	0	374.349	2.558	50	5		FFBARM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000004601135	210544489	/nfs/dbraw/zinc/54/44/89/210544489.db2.gz	RZLMHMXRTKGMJM-CQSZACIVSA-N	-1	0	374.349	2.558	50	5		FFBARM
CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000001133823	210323358	/nfs/dbraw/zinc/32/33/58/210323358.db2.gz	ZOTGSIFZIPCSGL-UHFFFAOYSA-N	-1	0	363.395	2.534	50	5		FFBARM
CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)c1	ZINC000095466341	221913163	/nfs/dbraw/zinc/91/31/63/221913163.db2.gz	MDFUDWMXGOMIKB-UHFFFAOYSA-N	-1	0	369.786	2.955	50	5		FFBARM
Cc1ccccc1Cn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1	ZINC000002767038	506291809	/nfs/dbraw/zinc/29/18/09/506291809.db2.gz	ADLVWFQTOGROKE-UHFFFAOYSA-N	-1	0	372.406	2.949	50	5		FFBARM
CCCO[P@](=O)([O-])c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000002923983	506301309	/nfs/dbraw/zinc/30/13/09/506301309.db2.gz	JMXOPQGHDGYVEK-UHFFFAOYSA-N	-1	0	358.165	2.759	50	5		FFBARM
COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000004601112	506384249	/nfs/dbraw/zinc/38/42/49/506384249.db2.gz	RSCCTXHEJWOOSE-AWEZNQCLSA-N	-1	0	374.349	2.558	50	5		FFBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Cl)c1	ZINC000006317237	506476427	/nfs/dbraw/zinc/47/64/27/506476427.db2.gz	KFNHJOTYELNPLQ-UHFFFAOYSA-N	-1	0	364.770	2.992	50	5		FFBARM
Cc1ccccc1Cn1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1	ZINC000006373283	506478825	/nfs/dbraw/zinc/47/88/25/506478825.db2.gz	XLYKPTZOJPIPMT-UHFFFAOYSA-N	-1	0	372.406	2.949	50	5		FFBARM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1noc(-c2ccccc2)n1	ZINC000095466351	508188009	/nfs/dbraw/zinc/18/80/09/508188009.db2.gz	CIMZYXAUYMZRPD-UHFFFAOYSA-N	-1	0	360.351	2.754	50	5		FFBARM
O=c1c(=Cc2cc([N+](=O)[O-])c([O-])cc2Cl)sc2nc3ccccc3n12	ZINC000252674409	509858447	/nfs/dbraw/zinc/85/84/47/509858447.db2.gz	SBBZDJCUXUHVPQ-UHFFFAOYSA-N	-1	0	373.777	2.724	50	5		FFBARM
Cc1nc2ccccc2c(=O)n1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000005199115	210606440	/nfs/dbraw/zinc/60/64/40/210606440.db2.gz	YXRCPMMQRULYBO-UHFFFAOYSA-N	-1	0	358.741	2.650	50	5		FFBARM
O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1[N-]c1ccccc1OC(F)F	ZINC000004757638	210561284	/nfs/dbraw/zinc/56/12/84/210561284.db2.gz	OSMTUMJBYCMVAM-UHFFFAOYSA-N	-1	0	363.280	2.759	50	5		FFBARM
O=C([O-])[C@H]1CS[C@H](c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)N1	ZINC000004554625	506381111	/nfs/dbraw/zinc/38/11/11/506381111.db2.gz	CCTDWUJMYXFBBE-HUUCEWRRSA-N	-1	0	374.374	2.602	50	5		FFBARM
O=C([O-])[C@H]1CS[C@@H](c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)N1	ZINC000004554638	506382274	/nfs/dbraw/zinc/38/22/74/506382274.db2.gz	OGMCAQIDQQEMFC-CABCVRRESA-N	-1	0	374.374	2.602	50	5		FFBARM
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(Cl)=CC[C@@H]1C(=O)[O-]	ZINC000004834271	506397393	/nfs/dbraw/zinc/39/73/93/506397393.db2.gz	YUYISPSMVKNXOS-QWRGUYRKSA-N	-1	0	354.746	2.775	50	5		FFBARM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCO[C@]2(CCc3ccccc32)C1	ZINC000119411166	508791235	/nfs/dbraw/zinc/79/12/35/508791235.db2.gz	OUUNHHSXRCIBGR-LJQANCHMSA-N	-1	0	354.362	2.615	50	5		FFBARM
COc1ccc(-n2c3ccccc3cc3c(=O)[n-]c(=O)nc2-3)cc1Cl	ZINC000005024592	506416001	/nfs/dbraw/zinc/41/60/01/506416001.db2.gz	MLOFVCNVAUNXOX-UHFFFAOYSA-N	-1	0	353.765	2.841	50	5		FFBARM
CC[C@H](C)Oc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000005041314	506417660	/nfs/dbraw/zinc/41/76/60/506417660.db2.gz	YWRSRJLSXAEOLX-STUBTGCMSA-N	-1	0	361.354	2.740	50	5		FFBARM
COC(=O)c1cscc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000095457197	508186586	/nfs/dbraw/zinc/18/65/86/508186586.db2.gz	FSOKEWGTQZLGGF-UHFFFAOYSA-N	-1	0	356.381	2.552	50	5		FFBARM
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)cc1C	ZINC000001131487	219376975	/nfs/dbraw/zinc/37/69/75/219376975.db2.gz	FMWSAUNRHKJFMF-UHFFFAOYSA-N	-1	0	352.368	2.721	50	5		FFBARM
O=C([O-])c1cc(O)ccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000002877762	506300036	/nfs/dbraw/zinc/30/00/36/506300036.db2.gz	MUYRHMYPUBDWBE-UHFFFAOYSA-N	-1	0	362.363	2.871	50	5		FFBARM
CC1=C(C(=O)OCCC(C)C)[C@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N1	ZINC000035623316	506388634	/nfs/dbraw/zinc/38/86/34/506388634.db2.gz	PBLQGVWBSXMKLU-HNNXBMFYSA-N	-1	0	363.370	2.518	50	5		FFBARM
COc1cc([C@@H]2SCC(=O)N2Cc2ccco2)cc([N+](=O)[O-])c1[O-]	ZINC000036047562	506394460	/nfs/dbraw/zinc/39/44/60/506394460.db2.gz	CJZTWMBUCBKSKP-HNNXBMFYSA-N	-1	0	350.352	2.676	50	5		FFBARM
COc1ccccc1[N-]c1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-]	ZINC000004822407	506397176	/nfs/dbraw/zinc/39/71/76/506397176.db2.gz	OQDBFDHKBMZXFL-UHFFFAOYSA-N	-1	0	361.745	2.820	50	5		FFBARM
COc1cc([N+](=O)[O-])c(OC)cc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000003878211	506351584	/nfs/dbraw/zinc/35/15/84/506351584.db2.gz	BNIOLXIRWAZIFB-UHFFFAOYSA-N	-1	0	352.368	2.721	50	5		FFBARM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1C	ZINC000035306469	506378264	/nfs/dbraw/zinc/37/82/64/506378264.db2.gz	BFTMDSRIFQBNFO-UHFFFAOYSA-N	-1	0	368.342	2.850	50	5		FFBARM
COc1cc(OC)cc(C(=O)N[C@H](CC(=O)[O-])c2cccc([N+](=O)[O-])c2)c1	ZINC000004581228	506383448	/nfs/dbraw/zinc/38/34/48/506383448.db2.gz	DHIIWFGOKXLNRI-MRXNPFEDSA-N	-1	0	374.349	2.558	50	5	biogenic,in-vitro	FFBARM
COc1ccccc1-n1c2cccc(Cl)c2cc2c(=O)[n-]c(=O)nc1-2	ZINC000075260824	508091971	/nfs/dbraw/zinc/09/19/71/508091971.db2.gz	BDTOJJKXBIUTSO-UHFFFAOYSA-N	-1	0	353.765	2.841	50	5		FFBARM
CC(=O)Nc1cc(C(=O)COC(=O)c2c(C)cccc2[N+](=O)[O-])ccc1[O-]	ZINC000012622413	220014496	/nfs/dbraw/zinc/01/44/96/220014496.db2.gz	KXXQTPNGGQIXTL-UHFFFAOYSA-N	-1	0	372.333	2.607	50	5		FFBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(Oc2ncccn2)c1	ZINC000032091057	506229403	/nfs/dbraw/zinc/22/94/03/506229403.db2.gz	KUMLSSBDNQXCGJ-UHFFFAOYSA-N	-1	0	372.362	2.978	50	5		FFBARM
CCCCOc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000034737138	506371021	/nfs/dbraw/zinc/37/10/21/506371021.db2.gz	RIJWSRLDBRGHJF-ALCCZGGFSA-N	-1	0	361.354	2.742	50	5		FFBARM
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000004862793	506401298	/nfs/dbraw/zinc/40/12/98/506401298.db2.gz	GLIGHEKBKFFXNC-HNNXBMFYSA-N	-1	0	373.317	2.802	50	5		FFBARM
O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000036452016	506407180	/nfs/dbraw/zinc/40/71/80/506407180.db2.gz	KYMAYDLNSRGORX-UHFFFAOYSA-N	-1	0	355.350	2.579	50	5		FFBARM
O=C(c1cnn(C(=O)c2cccc([N+](=O)[O-])c2)c1)c1cc(F)ccc1[O-]	ZINC000006996999	506523287	/nfs/dbraw/zinc/52/32/87/506523287.db2.gz	FAULNBNMBLPPLU-UHFFFAOYSA-N	-1	0	355.281	2.556	50	5		FFBARM
CCOC(=O)c1cc([N+](=O)[O-])sc1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000011852709	506799835	/nfs/dbraw/zinc/79/98/35/506799835.db2.gz	QRQMIQLIQHZPBN-UHFFFAOYSA-N	-1	0	355.284	2.587	50	5		FFBARM
Cc1cccc(CN2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])CC2)c1	ZINC000253418281	509880138	/nfs/dbraw/zinc/88/01/38/509880138.db2.gz	NZPXETBWSMCGKR-UHFFFAOYSA-N	-1	0	355.394	2.567	50	5		FFBARM
COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000048355151	221010570	/nfs/dbraw/zinc/01/05/70/221010570.db2.gz	SSLKZHFTGAYYPC-UHFFFAOYSA-N	-1	0	368.342	2.630	50	5		FFBARM
COc1ccc(C([O-])=CC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	ZINC000101354864	222271632	/nfs/dbraw/zinc/27/16/32/222271632.db2.gz	LQDLBHCATGAHBU-UHFFFAOYSA-N	-1	0	356.334	2.692	50	5		FFBARM
O=C([O-])c1ccccc1NC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000002833706	506296301	/nfs/dbraw/zinc/29/63/01/506296301.db2.gz	WZJICDDFBDLKPE-CMDGGOBGSA-N	-1	0	371.374	2.819	50	5		FFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]cnc3c2)c(Cl)c1	ZINC000328595699	534882952	/nfs/dbraw/zinc/88/29/52/534882952.db2.gz	BDHZSQXRSIPPQL-UHFFFAOYSA-N	-1	0	352.759	2.925	50	5		FFBARM
COCCOc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1	ZINC000055643731	221071909	/nfs/dbraw/zinc/07/19/09/221071909.db2.gz	XRVJYOGEEAVDSO-UHFFFAOYSA-N	-1	0	366.395	2.729	50	5		FFBARM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)ccc1F	ZINC000069925964	221328401	/nfs/dbraw/zinc/32/84/01/221328401.db2.gz	VLYQWDZUZVZQJS-UHFFFAOYSA-N	-1	0	359.266	2.582	50	5		FFBARM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000003833490	506349927	/nfs/dbraw/zinc/34/99/27/506349927.db2.gz	ZWGZOYKZNCNSHA-UHFFFAOYSA-N	-1	0	364.379	2.881	50	5		FFBARM
O=C([O-])c1cc([N+](=O)[O-])c(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000004543458	506382308	/nfs/dbraw/zinc/38/23/08/506382308.db2.gz	ZXMVOBOZQBCOMR-UHFFFAOYSA-N	-1	0	372.337	2.528	50	5		FFBARM
CCCC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)[O-]	ZINC000006719166	506501125	/nfs/dbraw/zinc/50/11/25/506501125.db2.gz	APLYCWZJDINDJC-INIZCTEOSA-N	-1	0	366.417	2.914	50	5		FFBARM
O=C(NCC1(c2ccccc2)CCOCC1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000164206448	509476097	/nfs/dbraw/zinc/47/60/97/509476097.db2.gz	MBPWTFSBOUUDTE-UHFFFAOYSA-N	-1	0	356.378	2.779	50	5		FFBARM
Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])c2ccccc2n1	ZINC000013135486	220059413	/nfs/dbraw/zinc/05/94/13/220059413.db2.gz	VQBCTSZDNAFWDN-UHFFFAOYSA-N	-1	0	361.354	2.813	50	5		FFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)cc1	ZINC000014232403	220118673	/nfs/dbraw/zinc/11/86/73/220118673.db2.gz	VKRSSWIYDMTAFW-UHFFFAOYSA-N	-1	0	358.379	2.640	50	5		FFBARM
O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000002058269	506269713	/nfs/dbraw/zinc/26/97/13/506269713.db2.gz	RGXVANMYIAYMJB-UHFFFAOYSA-N	-1	0	357.731	2.957	50	5		FFBARM
COc1cc([C@H]2SCC(=O)N2Cc2ccco2)cc([N+](=O)[O-])c1[O-]	ZINC000036047561	506394769	/nfs/dbraw/zinc/39/47/69/506394769.db2.gz	CJZTWMBUCBKSKP-OAHLLOKOSA-N	-1	0	350.352	2.676	50	5		FFBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(C)c(F)c3)[n+]2[O-])cc1	ZINC000005005450	506414635	/nfs/dbraw/zinc/41/46/35/506414635.db2.gz	XSTPZSJCQZPYOH-UHFFFAOYSA-N	-1	0	359.317	2.614	50	5		FFBARM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008227409	506633697	/nfs/dbraw/zinc/63/36/97/506633697.db2.gz	BWEXZHFBPXLFAT-UHFFFAOYSA-N	-1	0	350.352	2.572	50	5		FFBARM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c([N+](=O)[O-])c1	ZINC000028196676	507711837	/nfs/dbraw/zinc/71/18/37/507711837.db2.gz	RRTCUFWTAWICHF-UHFFFAOYSA-N	-1	0	364.379	2.799	50	5		FFBARM
CCOC(=O)c1ccc(NC(=O)c2c(C(=O)[O-])cccc2[N+](=O)[O-])cc1	ZINC000000754532	219317726	/nfs/dbraw/zinc/31/77/26/219317726.db2.gz	QTQSUXZYHKUBQQ-UHFFFAOYSA-N	-1	0	358.306	2.722	50	5		FFBARM
O=C([O-])c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1	ZINC000000912893	219339805	/nfs/dbraw/zinc/33/98/05/219339805.db2.gz	RKRJJKDKHIMTHI-UHFFFAOYSA-N	-1	0	354.274	2.652	50	5		FFBARM
CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001079734	219366154	/nfs/dbraw/zinc/36/61/54/219366154.db2.gz	GFKUNOBUIXDZTH-UHFFFAOYSA-N	-1	0	363.395	2.534	50	5		FFBARM
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(Cl)=CC[C@H]1C(=O)[O-]	ZINC000004834272	219611158	/nfs/dbraw/zinc/61/11/58/219611158.db2.gz	YUYISPSMVKNXOS-GHMZBOCLSA-N	-1	0	354.746	2.775	50	5		FFBARM
CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000005050167	506417720	/nfs/dbraw/zinc/41/77/20/506417720.db2.gz	VDLCEFPRQKOQOS-UHFFFAOYSA-N	-1	0	363.395	2.535	50	5		FFBARM
COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1	ZINC000005611870	506449785	/nfs/dbraw/zinc/44/97/85/506449785.db2.gz	AQGBCPMYBHVOLM-UHFFFAOYSA-N	-1	0	357.366	2.628	50	5		FFBARM
O=c1nc2n(-c3cccc(Br)c3)c3ccccc3cc-2c(=O)[n-]1	ZINC000000969179	219347253	/nfs/dbraw/zinc/34/72/53/219347253.db2.gz	KDQZBLXWVSNMOQ-UHFFFAOYSA-N	-1	0	368.190	2.941	50	5		FFBARM
Cc1cc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-]	ZINC000002832907	506296770	/nfs/dbraw/zinc/29/67/70/506296770.db2.gz	FWDPZRIOTDURJS-UHFFFAOYSA-N	-1	0	359.363	2.728	50	5		FFBARM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000004134554	506360717	/nfs/dbraw/zinc/36/07/17/506360717.db2.gz	SFJDWVJXCYEWPP-UHFFFAOYSA-N	-1	0	370.770	2.836	50	5		FFBARM
O=C([O-])CCCn1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1	ZINC000004698641	506387606	/nfs/dbraw/zinc/38/76/06/506387606.db2.gz	MWCJHTUBXXMEJW-UHFFFAOYSA-N	-1	0	352.734	2.562	50	5		FFBARM
Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000007420471	204297039	/nfs/dbraw/zinc/29/70/39/204297039.db2.gz	DQRRZAUHJZVSAJ-UHFFFAOYSA-N	-1	0	358.807	2.708	50	5		FFBARM
CCOc1cc2c(cc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)O[C@@H](C)C2	ZINC000096834798	508215778	/nfs/dbraw/zinc/21/57/78/508215778.db2.gz	CKMUSRQJMZORGW-NSHDSACASA-N	-1	0	372.377	2.953	50	5		FFBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc2cccnc21	ZINC000002465237	204040585	/nfs/dbraw/zinc/04/05/85/204040585.db2.gz	SDHSJQAPRVLQJU-UHFFFAOYSA-N	-1	0	359.363	2.952	50	5		FFBARM
COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000004580579	204148170	/nfs/dbraw/zinc/14/81/70/204148170.db2.gz	LUFNQFRCYVVWIL-HNNXBMFYSA-N	-1	0	358.350	2.858	50	5		FFBARM
COC(=O)c1ccc([N-]c2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000008434974	206216047	/nfs/dbraw/zinc/21/60/47/206216047.db2.gz	KOJWOUXYLFATTD-UHFFFAOYSA-N	-1	0	359.254	2.569	50	5		FFBARM
COc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])cc1OC	ZINC000001216085	506257050	/nfs/dbraw/zinc/25/70/50/506257050.db2.gz	QJNQEFYGDYEBJX-VMPITWQZSA-N	-1	0	372.333	2.962	50	5		FFBARM
O=C([O-])c1cc(-c2cccc([N+](=O)[O-])c2)nc2c(Br)cnn21	ZINC000020605848	507227147	/nfs/dbraw/zinc/22/71/47/507227147.db2.gz	AKPHVZLTEOTREC-UHFFFAOYSA-N	-1	0	363.127	2.765	50	5		FFBARM
CCOC(=O)CCCCCNC(=O)c1ccc(Cl)c([O-])c1[N+](=O)[O-]	ZINC000075286555	508093929	/nfs/dbraw/zinc/09/39/29/508093929.db2.gz	MAURGLNHSPFXLM-UHFFFAOYSA-N	-1	0	358.778	2.807	50	5		FFBARM
CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000004739994	204160343	/nfs/dbraw/zinc/16/03/43/204160343.db2.gz	VUOQXWIHMKZMHH-UHFFFAOYSA-N	-1	0	363.395	2.534	50	5		FFBARM
COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])cc1OC	ZINC000008778965	204346215	/nfs/dbraw/zinc/34/62/15/204346215.db2.gz	PXIPKXHQLAUYAE-UHFFFAOYSA-N	-1	0	356.331	2.552	50	5		FFBARM
COc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC000024992689	204828045	/nfs/dbraw/zinc/82/80/45/204828045.db2.gz	QGHOTCHFOBABRO-ZDUSSCGKSA-N	-1	0	362.313	2.940	50	5		FFBARM
O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000036476263	205016057	/nfs/dbraw/zinc/01/60/57/205016057.db2.gz	CYJGXDDENRZFNR-UHFFFAOYSA-N	-1	0	355.350	2.579	50	5		FFBARM
O=C(Nc1cccc([N+](=O)[O-])c1)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000100326545	205943065	/nfs/dbraw/zinc/94/30/65/205943065.db2.gz	XDWLNWZNNIPUOC-UHFFFAOYSA-N	-1	0	365.345	2.814	50	5		FFBARM
CCCCOc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000004568529	206178965	/nfs/dbraw/zinc/17/89/65/206178965.db2.gz	RIJWSRLDBRGHJF-FNORWQNLSA-N	-1	0	361.354	2.742	50	5		FFBARM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1	ZINC000009672267	206249556	/nfs/dbraw/zinc/24/95/56/206249556.db2.gz	VYXKDMIEGJRXAY-UHFFFAOYSA-N	-1	0	352.759	2.925	50	5		FFBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)=O)cc1[N+](=O)[O-]	ZINC000006623273	506492694	/nfs/dbraw/zinc/49/26/94/506492694.db2.gz	LTXUYUXJMSPYGA-UHFFFAOYSA-N	-1	0	350.352	2.607	50	5		FFBARM
COc1ccc2c(c1)C1(CC1)CN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])C2	ZINC000581827350	518456525	/nfs/dbraw/zinc/45/65/25/518456525.db2.gz	NWDXDOCXCPFNDQ-UHFFFAOYSA-N	-1	0	355.350	2.748	50	5		FFBARM
COC(=O)[C@@]([N-]c1nc2cc([N+](=O)[O-])ccc2s1)(OC)C(F)(F)F	ZINC000004689522	204155697	/nfs/dbraw/zinc/15/56/97/204155697.db2.gz	HAZPIPPCZRNLJM-LLVKDONJSA-N	-1	0	365.289	2.694	50	5		FFBARM
CCCN1C(=O)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3[O-])cc2C1=O	ZINC000005049695	204187974	/nfs/dbraw/zinc/18/79/74/204187974.db2.gz	VKEGZPRCYFMMJC-UHFFFAOYSA-N	-1	0	369.333	2.559	50	5		FFBARM
CC[C@H](NC(=O)COc1ccc2c3ccccc3c(=O)oc2c1C)C(=O)[O-]	ZINC000002125236	206153633	/nfs/dbraw/zinc/15/36/33/206153633.db2.gz	SPNQXKGDFFHMEZ-HNNXBMFYSA-N	-1	0	369.373	2.613	50	5	biogenic	FFBARM
CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000032096044	506230219	/nfs/dbraw/zinc/23/02/19/506230219.db2.gz	KWRVHELGMJIXAM-UHFFFAOYSA-N	-1	0	373.394	2.674	50	5		FFBARM
COc1ccc(CCN(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1OC	ZINC000030631192	507811634	/nfs/dbraw/zinc/81/16/34/507811634.db2.gz	ICNUSVIRPJNENG-UHFFFAOYSA-N	-1	0	360.366	2.632	50	5		FFBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3cccc(C)c3C)[n+]2[O-])cc1	ZINC000004758852	204161566	/nfs/dbraw/zinc/16/15/66/204161566.db2.gz	CPHYOMXXUIWQHE-UHFFFAOYSA-N	-1	0	355.354	2.783	50	5		FFBARM
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(Cl)=CC[C@H]1C(=O)[O-]	ZINC000004834273	204167549	/nfs/dbraw/zinc/16/75/49/204167549.db2.gz	YUYISPSMVKNXOS-MNOVXSKESA-N	-1	0	354.746	2.775	50	5		FFBARM
O=C([O-])CCCN1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O	ZINC000005065382	204189752	/nfs/dbraw/zinc/18/97/52/204189752.db2.gz	AUPJYDYZHVQFBI-UHFFFAOYSA-N	-1	0	370.317	2.848	50	5		FFBARM
O=C([O-])c1ccc(Cl)cc1NC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000005013871	206239242	/nfs/dbraw/zinc/23/92/42/206239242.db2.gz	WGXPBDJUYHMZKT-UHFFFAOYSA-N	-1	0	350.714	2.964	50	5		FFBARM
O=C([O-])CCCc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12	ZINC000032934916	506314679	/nfs/dbraw/zinc/31/46/79/506314679.db2.gz	PBSRFEKBSPVTRM-UHFFFAOYSA-N	-1	0	360.373	2.712	50	5		FFBARM
COc1ccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])o3)o2)c(OC)c1	ZINC000009471862	506697587	/nfs/dbraw/zinc/69/75/87/506697587.db2.gz	RIAAIFSVKXWCIX-UHFFFAOYSA-N	-1	0	360.282	2.507	50	5		FFBARM
CCc1ccc(-c2nn3c(CCC(=O)[O-])nc4ccccc4c3nc2=O)cc1	ZINC000089286420	507826884	/nfs/dbraw/zinc/82/68/84/507826884.db2.gz	OMJDBOMGNFTQLQ-UHFFFAOYSA-N	-1	0	374.400	2.884	50	5		FFBARM
Cc1c(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cccc1[N+](=O)[O-]	ZINC000002998322	204072774	/nfs/dbraw/zinc/07/27/74/204072774.db2.gz	YUDTZTQQQHRKEG-UHFFFAOYSA-N	-1	0	359.363	2.728	50	5		FFBARM
CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)cc1	ZINC000002843016	204062026	/nfs/dbraw/zinc/06/20/26/204062026.db2.gz	OSGGFMMTKFQICF-UHFFFAOYSA-N	-1	0	352.368	2.803	50	5		FFBARM
CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000004581084	204148243	/nfs/dbraw/zinc/14/82/43/204148243.db2.gz	LJWSEVGWIRJZAO-INIZCTEOSA-N	-1	0	358.350	2.939	50	5		FFBARM
O=C([O-])COc1cccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1	ZINC000095464117	205761157	/nfs/dbraw/zinc/76/11/57/205761157.db2.gz	NBDWKTPRXXUQQE-UHFFFAOYSA-N	-1	0	370.361	2.863	50	5		FFBARM
Cc1cc([C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CCO2)ccc1F	ZINC000135266477	206128879	/nfs/dbraw/zinc/12/88/79/206128879.db2.gz	KGIJFYYBDHHTEZ-INIZCTEOSA-N	-1	0	360.341	2.962	50	5		FFBARM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000005126996	206190485	/nfs/dbraw/zinc/19/04/85/206190485.db2.gz	PMLBADLWHIOSJV-UHFFFAOYSA-N	-1	0	352.368	2.803	50	5		FFBARM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000004580626	263334302	/nfs/dbraw/zinc/33/43/02/263334302.db2.gz	WDZABVQGBLMJRP-OAHLLOKOSA-N	-1	0	358.350	2.858	50	5		FFBARM
Cn1ccnc1[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)cc1	ZINC000014405530	506991025	/nfs/dbraw/zinc/99/10/25/506991025.db2.gz	BCNVVERGJZPXRP-MRXNPFEDSA-N	-1	0	370.340	2.692	50	5		FFBARM
COc1ccccc1C([O-])=CC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000101354939	508241436	/nfs/dbraw/zinc/24/14/36/508241436.db2.gz	VVGVCIFTQLNLOQ-UHFFFAOYSA-N	-1	0	356.334	2.692	50	5		FFBARM
O=c1nc2n(-c3ccc([N+](=O)[O-])cc3)c3cccc(Cl)c3cc-2c(=O)[n-]1	ZINC000002475860	204040863	/nfs/dbraw/zinc/04/08/63/204040863.db2.gz	DZZOOQUIYBRVOP-UHFFFAOYSA-N	-1	0	368.736	2.740	50	5		FFBARM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000004740430	204160443	/nfs/dbraw/zinc/16/04/43/204160443.db2.gz	LHBALCBDWBJJLC-UHFFFAOYSA-N	-1	0	350.352	2.572	50	5		FFBARM
CCC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)[O-]	ZINC000006673698	204261103	/nfs/dbraw/zinc/26/11/03/204261103.db2.gz	FITZDCJYBPTPMZ-HNNXBMFYSA-N	-1	0	352.390	2.524	50	5		FFBARM
O=[N+]([O-])c1ccc([O-])c(CSc2nc3ccccc3c3nnnn32)c1	ZINC000058134087	205251079	/nfs/dbraw/zinc/25/10/79/205251079.db2.gz	VBNSCXHXZSKWDV-UHFFFAOYSA-N	-1	0	354.351	2.579	50	5		FFBARM
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@](CO)(Cc2ccc(F)cc2)C1	ZINC000365674206	511595092	/nfs/dbraw/zinc/59/50/92/511595092.db2.gz	KPOOMIFNIJEZGI-LJQANCHMSA-N	-1	0	374.368	2.507	50	5		FFBARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005650269	204219581	/nfs/dbraw/zinc/21/95/81/204219581.db2.gz	CLGVCJFAHFIZIR-MRXNPFEDSA-N	-1	0	353.334	2.502	50	5		FFBARM
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCO3)c1	ZINC000040460269	205070805	/nfs/dbraw/zinc/07/08/05/205070805.db2.gz	HWLGQJILMAHXPA-UHFFFAOYSA-N	-1	0	364.379	2.784	50	5		FFBARM
O=C([O-])c1ccccc1SCC(=O)N1CCc2cc([N+](=O)[O-])ccc21	ZINC000012812018	506905733	/nfs/dbraw/zinc/90/57/33/506905733.db2.gz	ZZNIRSQMQPQMGK-UHFFFAOYSA-N	-1	0	358.375	2.974	50	5		FFBARM
CCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2[N+](=O)[O-])c1	ZINC000028197029	507713018	/nfs/dbraw/zinc/71/30/18/507713018.db2.gz	MNLDUDZDXYYBSY-UHFFFAOYSA-N	-1	0	364.379	2.745	50	5		FFBARM
Cc1cc([C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CCO2)ccc1F	ZINC000135266499	209372359	/nfs/dbraw/zinc/37/23/59/209372359.db2.gz	KGIJFYYBDHHTEZ-MRXNPFEDSA-N	-1	0	360.341	2.962	50	5		FFBARM
CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1=O	ZINC000100452316	209213707	/nfs/dbraw/zinc/21/37/07/209213707.db2.gz	MODMILCTKDVWED-UHFFFAOYSA-N	-1	0	353.334	2.888	50	5		FFBARM
COc1cc(OC)cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc([N+](=O)[O-])c2)c1	ZINC000004581226	207029987	/nfs/dbraw/zinc/02/99/87/207029987.db2.gz	DHIIWFGOKXLNRI-INIZCTEOSA-N	-1	0	374.349	2.558	50	5	biogenic,in-vitro	FFBARM
CCOc1ccccc1[N-]c1c([N+](=O)[O-])nn(-c2ccccc2C)[n+]1[O-]	ZINC000004905591	207059640	/nfs/dbraw/zinc/05/96/40/207059640.db2.gz	GCHUMJOZYGGIDY-UHFFFAOYSA-N	-1	0	355.354	2.865	50	5		FFBARM
Cc1nc2ccccc2c(=O)n1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000005199094	207086048	/nfs/dbraw/zinc/08/60/48/207086048.db2.gz	PRBYAOYPISJZNW-UHFFFAOYSA-N	-1	0	358.741	2.650	50	5		FFBARM
CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cnc21	ZINC000032097931	208026361	/nfs/dbraw/zinc/02/63/61/208026361.db2.gz	YGAPRUGLQDRDKB-UHFFFAOYSA-N	-1	0	361.383	2.721	50	5		FFBARM
O=C([O-])[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000005513535	506446736	/nfs/dbraw/zinc/44/67/36/506446736.db2.gz	GWGPUZKENIMKME-HNNXBMFYSA-N	-1	0	362.769	2.603	50	5		FFBARM
COC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)c(F)c1	ZINC000119719185	209350772	/nfs/dbraw/zinc/35/07/72/209350772.db2.gz	BCXLPFFRZFVFCH-CYBMUJFWSA-N	-1	0	352.293	2.696	50	5		FFBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(OCc3ccccc3)c2)[nH]1	ZINC000030840490	208005802	/nfs/dbraw/zinc/00/58/02/208005802.db2.gz	KNWBIJXVMXXDKR-KTKRTIGZSA-N	-1	0	365.345	2.721	50	5		FFBARM
CC1=C(C(=O)OCCC(C)C)[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N1	ZINC000035623317	208132788	/nfs/dbraw/zinc/13/27/88/208132788.db2.gz	PBLQGVWBSXMKLU-OAHLLOKOSA-N	-1	0	363.370	2.518	50	5		FFBARM
COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3[O-])cc(=O)o2)cc1OC	ZINC000036082452	208143788	/nfs/dbraw/zinc/14/37/88/208143788.db2.gz	WIFRBPHXHSGQCG-UHFFFAOYSA-N	-1	0	370.317	3.000	50	5		FFBARM
Cc1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1	ZINC000042783184	506666824	/nfs/dbraw/zinc/66/68/24/506666824.db2.gz	QINLXKMNTVAZGX-AAEUAGOBSA-N	-1	0	366.370	2.745	50	5		FFBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(Cl)=CC[C@@H]1C(=O)[O-]	ZINC000004949483	207064987	/nfs/dbraw/zinc/06/49/87/207064987.db2.gz	DHZWDJJUPAFQHR-WDEREUQCSA-N	-1	0	354.746	2.775	50	5		FFBARM
CCCC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)[O-]	ZINC000006719167	207155563	/nfs/dbraw/zinc/15/55/63/207155563.db2.gz	APLYCWZJDINDJC-MRXNPFEDSA-N	-1	0	366.417	2.914	50	5		FFBARM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2	ZINC000002532744	506282096	/nfs/dbraw/zinc/28/20/96/506282096.db2.gz	HLDDEYSVNKQZIM-UHFFFAOYSA-N	-1	0	370.770	2.820	50	5		FFBARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1	ZINC000002857818	506298011	/nfs/dbraw/zinc/29/80/11/506298011.db2.gz	PJTRSXIOWVUEOA-UHFFFAOYSA-N	-1	0	352.368	2.721	50	5		FFBARM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1	ZINC000024577614	507421431	/nfs/dbraw/zinc/42/14/31/507421431.db2.gz	SHOKHSRFPYYZKH-UHFFFAOYSA-N	-1	0	374.378	2.590	50	5		FFBARM
COc1ccccc1NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1	ZINC000097102654	209170790	/nfs/dbraw/zinc/17/07/90/209170790.db2.gz	IQYPMHDPAHTMLM-UHFFFAOYSA-N	-1	0	370.321	2.540	50	5		FFBARM
O=C([N-]c1nnc(Cc2ccc3c(c2)OCO3)o1)c1ccc([N+](=O)[O-])s1	ZINC000009701803	506708261	/nfs/dbraw/zinc/70/82/61/506708261.db2.gz	JJOVGCKWCGNNBR-UHFFFAOYSA-N	-1	0	374.334	2.611	50	5		FFBARM
CN1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(=O)[O-])C1	ZINC000020335472	507216957	/nfs/dbraw/zinc/21/69/57/507216957.db2.gz	DIBRQAMGHWUHTE-UHFFFAOYSA-N	-1	0	361.379	2.595	50	5		FFBARM
CCCOc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OCC	ZINC000004501650	207022886	/nfs/dbraw/zinc/02/28/86/207022886.db2.gz	JYIXTFKPEWDRJT-FNORWQNLSA-N	-1	0	361.354	2.742	50	5		FFBARM
COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000004581223	207029243	/nfs/dbraw/zinc/02/92/43/207029243.db2.gz	UIHOUMYBWWQKKH-AWEZNQCLSA-N	-1	0	374.349	2.558	50	5		FFBARM
O=C([O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	ZINC000004964735	207066672	/nfs/dbraw/zinc/06/66/72/207066672.db2.gz	GNDDAJZIDWBMGU-FVTZREDMSA-N	-1	0	358.394	2.994	50	5		FFBARM
O=C([O-])c1cccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	ZINC000002829204	506296575	/nfs/dbraw/zinc/29/65/75/506296575.db2.gz	SPXBIZMSUNLNRR-BQYQJAHWSA-N	-1	0	371.374	2.819	50	5		FFBARM
CCOC(=O)[N-]C(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])s1	ZINC000009722611	506708693	/nfs/dbraw/zinc/70/86/93/506708693.db2.gz	ISLJZDYAPAUORR-UHFFFAOYSA-N	-1	0	369.380	2.856	50	5		FFBARM
CC(C)[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc21)C(=O)[O-]	ZINC000002117658	209393883	/nfs/dbraw/zinc/39/38/83/209393883.db2.gz	QAPYFLVQMSLKBL-SFHVURJKSA-N	-1	0	369.373	2.550	50	5	biogenic	FFBARM
CC(=O)Nc1cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccc1F	ZINC000048344920	209331523	/nfs/dbraw/zinc/33/15/23/209331523.db2.gz	RKWLNMZYUBMULD-UHFFFAOYSA-N	-1	0	371.321	2.632	50	5		FFBARM
CCSc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1	ZINC000002091828	206901490	/nfs/dbraw/zinc/90/14/90/206901490.db2.gz	LEBJOZALAHOUEP-UHFFFAOYSA-N	-1	0	355.357	2.719	50	5		FFBARM
O=C([O-])CCCc1nc2ccccc2c2nc(=O)c(-c3cccs3)nn12	ZINC000032934901	208059872	/nfs/dbraw/zinc/05/98/72/208059872.db2.gz	PQOVZIHCNKJKCP-UHFFFAOYSA-N	-1	0	366.402	2.774	50	5		FFBARM
Cc1ccc(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)[n-]c(=O)nc2-3)cc1C	ZINC000002475859	506282049	/nfs/dbraw/zinc/28/20/49/506282049.db2.gz	DIAPPNMPYIHRAO-UHFFFAOYSA-N	-1	0	362.345	2.704	50	5		FFBARM
Cc1ccc(Cn2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000002760997	506289202	/nfs/dbraw/zinc/28/92/02/506289202.db2.gz	VNZOJIUZOGFQTG-UHFFFAOYSA-N	-1	0	372.406	2.949	50	5		FFBARM
O=C(c1ccc([O-])c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000025423452	507500761	/nfs/dbraw/zinc/50/07/61/507500761.db2.gz	ZRDDBLSYFSJZTL-UHFFFAOYSA-N	-1	0	361.785	2.916	50	5		FFBARM
O=C(OC1CCC([N-]C(=O)C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000079024113	507926593	/nfs/dbraw/zinc/92/65/93/507926593.db2.gz	FUERUANCWGKGGE-UHFFFAOYSA-N	-1	0	360.288	2.741	50	5		FFBARM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCO[C@@]2(CCc3ccccc32)C1	ZINC000119411308	209350872	/nfs/dbraw/zinc/35/08/72/209350872.db2.gz	OUUNHHSXRCIBGR-IBGZPJMESA-N	-1	0	354.362	2.615	50	5		FFBARM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1-n1cccn1	ZINC000048353821	209330775	/nfs/dbraw/zinc/33/07/75/209330775.db2.gz	FBXVRKPTAAPXKJ-UHFFFAOYSA-N	-1	0	358.379	2.890	50	5		FFBARM
COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000004601139	207032857	/nfs/dbraw/zinc/03/28/57/207032857.db2.gz	RZLMHMXRTKGMJM-AWEZNQCLSA-N	-1	0	374.349	2.558	50	5		FFBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(Cl)=CC[C@@H]1C(=O)[O-]	ZINC000004949484	207065178	/nfs/dbraw/zinc/06/51/78/207065178.db2.gz	DHZWDJJUPAFQHR-QWRGUYRKSA-N	-1	0	354.746	2.775	50	5		FFBARM
CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000005898462	207121189	/nfs/dbraw/zinc/12/11/89/207121189.db2.gz	NWTVHROBKJFZCD-UHFFFAOYSA-N	-1	0	364.379	2.962	50	5		FFBARM
COc1cc(CN2CCN(c3ccccc3C)CC2)cc([N+](=O)[O-])c1[O-]	ZINC000001227758	132381240	/nfs/dbraw/zinc/38/12/40/132381240.db2.gz	VAPMLYVQLOWTGR-UHFFFAOYSA-N	-1	0	357.410	2.940	50	5		FFBARM
COc1ccc(Nc2nc(=O)[n-]c(Nc3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000008567241	263355838	/nfs/dbraw/zinc/35/58/38/263355838.db2.gz	OVMFYLSJXIBCKN-UHFFFAOYSA-N	-1	0	354.326	2.569	50	5		FFBARM
Cc1cccc(Cn2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c1	ZINC000002804948	506295272	/nfs/dbraw/zinc/29/52/72/506295272.db2.gz	BQXMWWQLKMISJR-UHFFFAOYSA-N	-1	0	372.406	2.949	50	5		FFBARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(Nc1ccc([N+](=O)[O-])cc1)c2=O	ZINC000008661766	506660613	/nfs/dbraw/zinc/66/06/13/506660613.db2.gz	XWWMSFVNLQJSNS-UHFFFAOYSA-N	-1	0	372.362	2.629	50	5		FFBARM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCO[C@H](CCc2ccccc2)C1	ZINC000120127121	209351706	/nfs/dbraw/zinc/35/17/06/209351706.db2.gz	UPYUMAFDINAPAW-MRXNPFEDSA-N	-1	0	356.378	2.774	50	5		FFBARM
O=C([O-])c1cccc(NC=C2N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c1	ZINC000003910950	206994466	/nfs/dbraw/zinc/99/44/66/206994466.db2.gz	SIWZXGBNCDEDBF-NTEUORMPSA-N	-1	0	353.290	2.550	50	5		FFBARM
O=C([O-])CCCc1nc2ccccc2c2nc(=O)c(Cc3ccccc3)nn12	ZINC000032934903	208059336	/nfs/dbraw/zinc/05/93/36/208059336.db2.gz	YVKOTMNZGQVRMQ-UHFFFAOYSA-N	-1	0	374.400	2.636	50	5		FFBARM
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000036408736	208164634	/nfs/dbraw/zinc/16/46/34/208164634.db2.gz	ZBDQGYJWYJYTIX-UHFFFAOYSA-N	-1	0	366.377	2.817	50	5		FFBARM
O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000000950780	506240936	/nfs/dbraw/zinc/24/09/36/506240936.db2.gz	BAHKJYFJWWEBLL-CQSZACIVSA-N	-1	0	372.358	2.717	50	5		FFBARM
CCn1ncc([N+](=O)[O-])c1C(=O)[N-]c1c(F)c(F)c(F)c(F)c1F	ZINC000002091166	506271768	/nfs/dbraw/zinc/27/17/68/506271768.db2.gz	DDOJZLRGVSACQG-UHFFFAOYSA-N	-1	0	350.203	2.759	50	5		FFBARM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1	ZINC000003886919	506352200	/nfs/dbraw/zinc/35/22/00/506352200.db2.gz	CYARIPLCEUAFCX-UHFFFAOYSA-N	-1	0	350.352	2.711	50	5		FFBARM
O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000019863001	507204224	/nfs/dbraw/zinc/20/42/24/507204224.db2.gz	BAHKJYFJWWEBLL-AWEZNQCLSA-N	-1	0	372.358	2.717	50	5		FFBARM
Cc1c(OCC(=O)NCCCC(=O)[O-])ccc2c3ccccc3c(=O)oc12	ZINC000002113344	506272381	/nfs/dbraw/zinc/27/23/81/506272381.db2.gz	FLDGRSPDQHYHSN-UHFFFAOYSA-N	-1	0	369.373	2.614	50	5	biogenic	FFBARM
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1[N+](=O)[O-]	ZINC000004297015	506369378	/nfs/dbraw/zinc/36/93/78/506369378.db2.gz	PNBFXUKVZPIOHV-UHFFFAOYSA-N	-1	0	351.340	2.921	50	5		FFBARM
COc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(=O)[O-])cc1OC	ZINC000004826102	506397878	/nfs/dbraw/zinc/39/78/78/506397878.db2.gz	YTQFGBJDAGTWTE-UHFFFAOYSA-N	-1	0	360.322	2.871	50	5		FFBARM
Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1C(=O)Nc1cccc(/C=C/C(=O)[O-])c1	ZINC000004904234	506404861	/nfs/dbraw/zinc/40/48/61/506404861.db2.gz	GJEVDBNOUXAWES-CMDGGOBGSA-N	-1	0	372.381	2.976	50	5		FFBARM
O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000095444508	508186074	/nfs/dbraw/zinc/18/60/74/508186074.db2.gz	DTXOGOJNGFKBFE-UHFFFAOYSA-N	-1	0	364.741	2.906	50	5		FFBARM
O=C([O-])[C@@H]1CS[C@@H](c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)N1	ZINC000004554636	210540170	/nfs/dbraw/zinc/54/01/70/210540170.db2.gz	OGMCAQIDQQEMFC-GJZGRUSLSA-N	-1	0	374.374	2.602	50	5		FFBARM
Cc1c(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cccc1[N+](=O)[O-]	ZINC000004674600	506385930	/nfs/dbraw/zinc/38/59/30/506385930.db2.gz	CUMUXOFJJYRBDF-UHFFFAOYSA-N	-1	0	359.363	2.728	50	5		FFBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(C)c(C)c3)[n+]2[O-])cc1	ZINC000004823893	506397318	/nfs/dbraw/zinc/39/73/18/506397318.db2.gz	CKBCZXNVOYOAGL-UHFFFAOYSA-N	-1	0	355.354	2.783	50	5		FFBARM
O=C([O-])CCCCCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O	ZINC000005041307	506417643	/nfs/dbraw/zinc/41/76/43/506417643.db2.gz	WKQKZUQFLOYADL-UHFFFAOYSA-N	-1	0	356.334	2.989	50	5		FFBARM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000020255001	211272706	/nfs/dbraw/zinc/27/27/06/211272706.db2.gz	SGVHZRTUPPWCED-UHFFFAOYSA-N	-1	0	356.743	2.747	50	5		FFBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c2ccccc2[nH]c1C(=O)[O-]	ZINC000004876260	210574067	/nfs/dbraw/zinc/57/40/67/210574067.db2.gz	DMMTZEIXSQVTOY-UHFFFAOYSA-N	-1	0	369.333	2.964	50	5		FFBARM
O=C([O-])c1cc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])ccc1O	ZINC000003882643	506352122	/nfs/dbraw/zinc/35/21/22/506352122.db2.gz	HPIVJUMOUVQKMR-UHFFFAOYSA-N	-1	0	350.674	2.932	50	5		FFBARM
COc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1[N+](=O)[O-]	ZINC000007709448	506584160	/nfs/dbraw/zinc/58/41/60/506584160.db2.gz	NSFIXORMJNKFCL-UHFFFAOYSA-N	-1	0	359.363	2.952	50	5		FFBARM
COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000047383513	507318821	/nfs/dbraw/zinc/31/88/21/507318821.db2.gz	ZWEDASVVKIKEGL-UHFFFAOYSA-N	-1	0	368.342	2.630	50	5		FFBARM
CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-]	ZINC000028198018	507712030	/nfs/dbraw/zinc/71/20/30/507712030.db2.gz	NDLOIWRPOOEXMQ-UHFFFAOYSA-N	-1	0	364.379	2.745	50	5		FFBARM
CC[C@@H](NC(=O)COc1ccc2c3ccccc3c(=O)oc2c1C)C(=O)[O-]	ZINC000002125237	219428254	/nfs/dbraw/zinc/42/82/54/219428254.db2.gz	SPNQXKGDFFHMEZ-OAHLLOKOSA-N	-1	0	369.373	2.613	50	5	biogenic	FFBARM
COc1ccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])o3)o2)cc1OC	ZINC000010220599	210344806	/nfs/dbraw/zinc/34/48/06/210344806.db2.gz	JSBWJUHSPSHJDQ-UHFFFAOYSA-N	-1	0	360.282	2.507	50	5		FFBARM
COc1ccc(C(=O)[O-])cc1NC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000822256	210276215	/nfs/dbraw/zinc/27/62/15/210276215.db2.gz	OYKCKTQKFSGCGY-UHFFFAOYSA-N	-1	0	358.306	2.513	50	5		FFBARM
COc1cccc(C([O-])=CC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1	ZINC000101354963	222271982	/nfs/dbraw/zinc/27/19/82/222271982.db2.gz	SIHSHLRIKDQHIS-UHFFFAOYSA-N	-1	0	356.334	2.692	50	5		FFBARM
O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1nnc(-c4cccc([N+](=O)[O-])c4)n1)(C3)C2	ZINC000002741422	506290171	/nfs/dbraw/zinc/29/01/71/506290171.db2.gz	HTUZTYSEWDDZDZ-CCHVVGMOSA-N	-1	0	369.381	2.628	50	5		FFBARM
Cc1c(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000002997624	506305356	/nfs/dbraw/zinc/30/53/56/506305356.db2.gz	YHSITHGLCCLFJO-UHFFFAOYSA-N	-1	0	359.363	2.728	50	5		FFBARM
CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)CSCC(=O)[O-]	ZINC000003529837	506340129	/nfs/dbraw/zinc/34/01/29/506340129.db2.gz	FNLFTGXFJKJLQD-UHFFFAOYSA-N	-1	0	364.379	2.631	50	5		FFBARM
COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000004581225	506383082	/nfs/dbraw/zinc/38/30/82/506383082.db2.gz	UIHOUMYBWWQKKH-CQSZACIVSA-N	-1	0	374.349	2.558	50	5		FFBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2N)c1C	ZINC000095939653	508198773	/nfs/dbraw/zinc/19/87/73/508198773.db2.gz	WAQNYFHBOMAFCG-UHFFFAOYSA-N	-1	0	366.355	2.503	50	5		FFBARM
O=C1[N-]C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1	ZINC000001864355	210372990	/nfs/dbraw/zinc/37/29/90/210372990.db2.gz	WMQWWCIYQLRBMC-UHFFFAOYSA-N	-1	0	354.278	2.576	50	5		FFBARM
COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1	ZINC000005126969	506424806	/nfs/dbraw/zinc/42/48/06/506424806.db2.gz	KLVPXXMYWFGADZ-UHFFFAOYSA-N	-1	0	352.368	2.721	50	5		FFBARM
O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@H](COCc2ccccc2)C1	ZINC000170618722	509683098	/nfs/dbraw/zinc/68/30/98/509683098.db2.gz	LHUGFIDKSJVCBR-HNNXBMFYSA-N	-1	0	356.378	2.979	50	5		FFBARM
O=c1nc2n(-c3ccc(Cl)cc3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[n-]1	ZINC000000848936	210280746	/nfs/dbraw/zinc/28/07/46/210280746.db2.gz	NGFVSPNFZJSTPT-UHFFFAOYSA-N	-1	0	368.736	2.740	50	5		FFBARM
Cc1ccccc1Cn1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000002767007	506291924	/nfs/dbraw/zinc/29/19/24/506291924.db2.gz	JTIUJIVEQCNQKP-UHFFFAOYSA-N	-1	0	372.406	2.949	50	5		FFBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)ccc1Cl	ZINC000008855429	506671087	/nfs/dbraw/zinc/67/10/87/506671087.db2.gz	XDODXQCVSYGUCR-UHFFFAOYSA-N	-1	0	352.759	2.925	50	5		FFBARM
O=C([O-])/C=C\C(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000032538784	211549513	/nfs/dbraw/zinc/54/95/13/211549513.db2.gz	CINWJNUJCYISJS-FPLPWBNLSA-N	-1	0	372.293	2.826	50	5		FFBARM
CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2O1	ZINC000032932332	506314557	/nfs/dbraw/zinc/31/45/57/506314557.db2.gz	SHAUBNXZHRKOJS-UHFFFAOYSA-N	-1	0	350.352	2.903	50	5		FFBARM
CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1	ZINC000004148312	506362277	/nfs/dbraw/zinc/36/22/77/506362277.db2.gz	COIZBYPZNBZLPW-UHFFFAOYSA-N	-1	0	363.395	2.687	50	5		FFBARM
O=C([O-])[C@H]1CS[C@@H](c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)N1	ZINC000004554626	506381912	/nfs/dbraw/zinc/38/19/12/506381912.db2.gz	CCTDWUJMYXFBBE-CABCVRRESA-N	-1	0	374.374	2.602	50	5		FFBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(Cl)cc3)[n+]2[O-])cc1	ZINC000004808229	506395930	/nfs/dbraw/zinc/39/59/30/506395930.db2.gz	LUWTWIHRIQEQIA-UHFFFAOYSA-N	-1	0	361.745	2.820	50	5		FFBARM
CCc1cccc([N-]c2c([N+](=O)[O-])nn(-c3ccc(OC)cc3)[n+]2[O-])c1	ZINC000004757984	210562500	/nfs/dbraw/zinc/56/25/00/210562500.db2.gz	RIYWDCYVZHCUNK-UHFFFAOYSA-N	-1	0	355.354	2.729	50	5		FFBARM
COc1ccccc1N1CCN(Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)CC1	ZINC000001227665	132381340	/nfs/dbraw/zinc/38/13/40/132381340.db2.gz	GUOIGNFASCHGPM-UHFFFAOYSA-N	-1	0	373.409	2.640	50	5		FFBARM
CCOc1cc2c(cc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)O[C@H](C)C2	ZINC000096834797	222131562	/nfs/dbraw/zinc/13/15/62/222131562.db2.gz	CKMUSRQJMZORGW-LLVKDONJSA-N	-1	0	372.377	2.953	50	5		FFBARM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000002997569	506305895	/nfs/dbraw/zinc/30/58/95/506305895.db2.gz	OTFZECNRPMJQLC-UHFFFAOYSA-N	-1	0	359.363	2.728	50	5		FFBARM
CCOC(=O)c1ccc([N-]c2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000004016557	506355703	/nfs/dbraw/zinc/35/57/03/506355703.db2.gz	KGPVXPUAEXHJEK-UHFFFAOYSA-N	-1	0	373.281	2.960	50	5		FFBARM
O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccccc1C(=O)[O-]	ZINC000035181264	506376674	/nfs/dbraw/zinc/37/66/74/506376674.db2.gz	VSBHEFIKQSQEES-UHFFFAOYSA-N	-1	0	372.362	2.900	50	5		FFBARM
O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC/C1=C\c1ccc([N+](=O)[O-])cc1	ZINC000007168011	506540356	/nfs/dbraw/zinc/54/03/56/506540356.db2.gz	IDADMUVIKVETNP-FMIVXFBMSA-N	-1	0	363.329	2.947	50	5		FFBARM
O=C(NCCc1nccn1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000095456796	508186432	/nfs/dbraw/zinc/18/64/32/508186432.db2.gz	SQHPVRPXWLSISN-UHFFFAOYSA-N	-1	0	366.377	2.518	50	5		FFBARM
O=C(NCC1(c2ccccc2)CCOCC1)c1cccc([N+](=O)[O-])c1[O-]	ZINC000130402242	571205222	/nfs/dbraw/zinc/20/52/22/571205222.db2.gz	GSABJGPEMUFPNR-UHFFFAOYSA-N	-1	0	356.378	2.779	50	5		FFBARM
COc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc([N+](=O)[O-])c1[O-]	ZINC000000875155	132379093	/nfs/dbraw/zinc/37/90/93/132379093.db2.gz	YGKREUFDRPZLAO-UHFFFAOYSA-N	-1	0	361.373	2.770	50	5		FFBARM
Cc1cccc(Cn2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cn2)c1	ZINC000002804984	506295134	/nfs/dbraw/zinc/29/51/34/506295134.db2.gz	DFBCQURIJNGZEM-UHFFFAOYSA-N	-1	0	372.406	2.949	50	5		FFBARM
Cc1cc(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000002832592	506296807	/nfs/dbraw/zinc/29/68/07/506296807.db2.gz	ZNJKLBCNAYOFLV-UHFFFAOYSA-N	-1	0	359.363	2.728	50	5		FFBARM
O=C([O-])c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000004641437	506386707	/nfs/dbraw/zinc/38/67/07/506386707.db2.gz	YSMSWDDIASQMJQ-UHFFFAOYSA-N	-1	0	355.755	2.920	50	5		FFBARM
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000004862792	506401201	/nfs/dbraw/zinc/40/12/01/506401201.db2.gz	GLIGHEKBKFFXNC-OAHLLOKOSA-N	-1	0	373.317	2.802	50	5		FFBARM
O=C([O-])c1ccc(NC=C2N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1	ZINC000020616309	220336173	/nfs/dbraw/zinc/33/61/73/220336173.db2.gz	GHWGDPAVUHEZCT-NTEUORMPSA-N	-1	0	353.290	2.550	50	5		FFBARM
COc1cc(CN2CCN(c3ccccc3F)CC2)cc([N+](=O)[O-])c1[O-]	ZINC000003879783	132385815	/nfs/dbraw/zinc/38/58/15/132385815.db2.gz	HZYCYCBMQOXHEC-UHFFFAOYSA-N	-1	0	361.373	2.770	50	5		FFBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)ccc1Cl	ZINC000006610866	506491093	/nfs/dbraw/zinc/49/10/93/506491093.db2.gz	CCANOLSUXWJKHW-UHFFFAOYSA-N	-1	0	352.759	2.925	50	5		FFBARM
CCOC(=O)c1c(NC(C)=O)sc2c1c([N+](=O)[O-])cc([N+](=O)[O-])c2[O-]	ZINC000008781317	219869990	/nfs/dbraw/zinc/86/99/90/219869990.db2.gz	IIGUNLSMXWMKEU-UHFFFAOYSA-N	-1	0	369.311	2.558	50	5		FFBARM
O=C1[C@@H]2CC(Cl)=CC[C@@H]2C(=O)N1c1cc([N+](=O)[O-])cc(Cl)c1[O-]	ZINC000016266229	220181684	/nfs/dbraw/zinc/18/16/84/220181684.db2.gz	DZTFGCJGJWKJHR-DTWKUNHWSA-N	-1	0	357.149	2.976	50	5		FFBARM
O=C([O-])c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c1	ZINC000000704975	506228187	/nfs/dbraw/zinc/22/81/87/506228187.db2.gz	REDDAESVISWPKA-UHFFFAOYSA-N	-1	0	354.274	2.652	50	5		FFBARM
CCCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(N)cc1	ZINC000002187199	506273273	/nfs/dbraw/zinc/27/32/73/506273273.db2.gz	FAFWQJRCSNBWLH-UHFFFAOYSA-N	-1	0	351.384	2.767	50	5		FFBARM
O=C([O-])[C@@H]1CS[C@@H](c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)N1	ZINC000004554624	506381773	/nfs/dbraw/zinc/38/17/73/506381773.db2.gz	CCTDWUJMYXFBBE-GJZGRUSLSA-N	-1	0	374.374	2.602	50	5		FFBARM
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(Cl)=CC[C@@H]1C(=O)[O-]	ZINC000004834270	506396477	/nfs/dbraw/zinc/39/64/77/506396477.db2.gz	YUYISPSMVKNXOS-WDEREUQCSA-N	-1	0	354.746	2.775	50	5		FFBARM
COC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000005050128	506417298	/nfs/dbraw/zinc/41/72/98/506417298.db2.gz	VCVROCUDOHHQBR-UHFFFAOYSA-N	-1	0	370.770	2.836	50	5		FFBARM
O=c1nc2n(Cc3ccccc3)c3nc4ccccc4cc3cc-2c(=O)[n-]1	ZINC000041074103	506491002	/nfs/dbraw/zinc/49/10/02/506491002.db2.gz	YFYPBWVKTYMOOE-UHFFFAOYSA-N	-1	0	354.369	2.786	50	5		FFBARM
CC(=O)c1ccc(N2CCN(c3ccc(C(=O)[O-])cc3[N+](=O)[O-])CC2)cc1	ZINC000006831780	506510260	/nfs/dbraw/zinc/51/02/60/506510260.db2.gz	ZKUBCAZWCPIYQV-UHFFFAOYSA-N	-1	0	369.377	2.822	50	5		FFBARM
COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])c(OC)c1	ZINC000009367475	506693790	/nfs/dbraw/zinc/69/37/90/506693790.db2.gz	DQUGQIYSVPDVGI-UHFFFAOYSA-N	-1	0	356.331	2.552	50	5		FFBARM
COc1ccc(N2C(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)NC2=S)cc1	ZINC000002898852	506300360	/nfs/dbraw/zinc/30/03/60/506300360.db2.gz	DXISIYMKYAGJJK-JYRVWZFOSA-N	-1	0	371.374	2.571	50	5		FFBARM
O=C(COc1ccccc1C(=O)[O-])Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000003434852	506330739	/nfs/dbraw/zinc/33/07/39/506330739.db2.gz	PIOQCJQBZVXEQP-UHFFFAOYSA-N	-1	0	373.346	2.920	50	5		FFBARM
Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000003884894	506351996	/nfs/dbraw/zinc/35/19/96/506351996.db2.gz	SMERULCGQGCLRE-UHFFFAOYSA-N	-1	0	350.352	2.711	50	5		FFBARM
O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000007726583	506586606	/nfs/dbraw/zinc/58/66/06/506586606.db2.gz	INJKRLVWUQHBRW-UHFFFAOYSA-N	-1	0	361.379	2.522	50	5		FFBARM
COCCOc1ccc(F)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000095971841	508199837	/nfs/dbraw/zinc/19/98/37/508199837.db2.gz	URGYRMLLRQPGJM-UHFFFAOYSA-N	-1	0	350.302	2.717	50	5		FFBARM
Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000021903973	220369913	/nfs/dbraw/zinc/36/99/13/220369913.db2.gz	ITVCLBVKJWUHKM-UHFFFAOYSA-N	-1	0	364.770	2.712	50	5		FFBARM
O=C([O-])[C@H]1CS[C@H](c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)N1	ZINC000004554637	506382457	/nfs/dbraw/zinc/38/24/57/506382457.db2.gz	OGMCAQIDQQEMFC-HUUCEWRRSA-N	-1	0	374.374	2.602	50	5		FFBARM
COC(=O)[C@]([N-]c1nc2cc([N+](=O)[O-])ccc2s1)(OC)C(F)(F)F	ZINC000004689524	506388691	/nfs/dbraw/zinc/38/86/91/506388691.db2.gz	HAZPIPPCZRNLJM-NSHDSACASA-N	-1	0	365.289	2.694	50	5		FFBARM
O=C([N-]c1nnc(-c2cccnc2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000009357333	506693260	/nfs/dbraw/zinc/69/32/60/506693260.db2.gz	NJQPEMGIOPDTEE-UHFFFAOYSA-N	-1	0	372.322	2.669	50	5		FFBARM
O=C([O-])CCCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1	ZINC000001424787	219404815	/nfs/dbraw/zinc/40/48/15/219404815.db2.gz	RYFKGAIQBDALIK-UHFFFAOYSA-N	-1	0	352.734	2.562	50	5		FFBARM
O=C(OCc1nc(=O)c2sccc2[n-]1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000007986439	219839518	/nfs/dbraw/zinc/83/95/18/219839518.db2.gz	DYXFFOHGGIHQHD-UHFFFAOYSA-N	-1	0	365.754	2.903	50	5		FFBARM
CC(C)Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1	ZINC000003016605	506306508	/nfs/dbraw/zinc/30/65/08/506306508.db2.gz	JCWBATCSIAUFRF-UHFFFAOYSA-N	-1	0	351.344	2.805	50	5		FFBARM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000004289712	506370170	/nfs/dbraw/zinc/37/01/70/506370170.db2.gz	XXTROUXFUQWBMS-UHFFFAOYSA-N	-1	0	364.379	2.881	50	5		FFBARM
O=C1c2ccc(Br)cc2C(=O)N1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000035213925	506376757	/nfs/dbraw/zinc/37/67/57/506376757.db2.gz	ONMOYOPVDBTQJY-UHFFFAOYSA-N	-1	0	363.123	2.864	50	5		FFBARM
COc1cc(CN2CCc3cc(OC)c(OC)cc3C2)cc([N+](=O)[O-])c1[O-]	ZINC000004990256	506412294	/nfs/dbraw/zinc/41/22/94/506412294.db2.gz	BAWFPBYPEYZPAI-UHFFFAOYSA-N	-1	0	374.393	2.885	50	5		FFBARM
CCC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)[O-]	ZINC000006673701	506498044	/nfs/dbraw/zinc/49/80/44/506498044.db2.gz	FITZDCJYBPTPMZ-OAHLLOKOSA-N	-1	0	352.390	2.524	50	5		FFBARM
O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1c1cc([N+](=O)[O-])cc(Cl)c1[O-]	ZINC000100082605	222234983	/nfs/dbraw/zinc/23/49/83/222234983.db2.gz	DZTFGCJGJWKJHR-RKDXNWHRSA-N	-1	0	357.149	2.976	50	5		FFBARM
COc1ccc(C)cc1[N-]c1c([N+](=O)[O-])nn(-c2ccccc2C)[n+]1[O-]	ZINC000004905605	219623342	/nfs/dbraw/zinc/62/33/42/219623342.db2.gz	RBCCKOSDYFXUJZ-UHFFFAOYSA-N	-1	0	355.354	2.783	50	5		FFBARM
O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1)C1CC1	ZINC000012521057	220001557	/nfs/dbraw/zinc/00/15/57/220001557.db2.gz	WGBCZSKFSJOCCX-UHFFFAOYSA-N	-1	0	361.379	2.744	50	5		FFBARM
Cn1ccnc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)cc1	ZINC000014405528	220123406	/nfs/dbraw/zinc/12/34/06/220123406.db2.gz	BCNVVERGJZPXRP-INIZCTEOSA-N	-1	0	370.340	2.692	50	5		FFBARM
O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1cc([N+](=O)[O-])cc(Cl)c1[O-]	ZINC000100082596	222234730	/nfs/dbraw/zinc/23/47/30/222234730.db2.gz	DZTFGCJGJWKJHR-BDAKNGLRSA-N	-1	0	357.149	2.976	50	5		FFBARM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000003194262	506313551	/nfs/dbraw/zinc/31/35/51/506313551.db2.gz	YPIZUZLRZNABRR-UHFFFAOYSA-N	-1	0	350.352	2.572	50	5		FFBARM
COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000007230223	506544976	/nfs/dbraw/zinc/54/49/76/506544976.db2.gz	KKVDLTWOEYHVMR-UHFFFAOYSA-N	-1	0	356.381	2.552	50	5		FFBARM
CCCCn1nnc(C(=O)N2CCCC2)c1-c1cc([N+](=O)[O-])ccc1[O-]	ZINC000022779590	507308552	/nfs/dbraw/zinc/30/85/52/507308552.db2.gz	FERUYDOZEHQODA-UHFFFAOYSA-N	-1	0	359.386	2.595	50	5		FFBARM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCO[C@@]2(CCc3ccccc32)C1	ZINC000164997165	509549657	/nfs/dbraw/zinc/54/96/57/509549657.db2.gz	CQJCSFGZZCVDNF-IBGZPJMESA-N	-1	0	354.362	2.615	50	5		FFBARM