smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009672471	132234870	/nfs/dbraw/zinc/23/48/70/132234870.db2.gz	GXXDIADJIXDQTB-UHFFFAOYSA-N	0	0	441.444	2.302	50	5		IEBARN
COc1ccc(NS(=O)(=O)c2ccc(N3CCC(C(N)=O)CC3)c([N+](=O)[O-])c2)cc1	ZINC000009562889	132321720	/nfs/dbraw/zinc/32/17/20/132321720.db2.gz	GDAKEBXLKYOMJP-UHFFFAOYSA-N	0	0	434.474	2.106	50	5		IEBARN
CC(=O)c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000012380248	518434964	/nfs/dbraw/zinc/43/49/64/518434964.db2.gz	XYVIHJNCJVAYDK-UHFFFAOYSA-N	0	0	432.458	2.336	50	5		IEBARN
CC(C)CN(C(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000021613208	519705052	/nfs/dbraw/zinc/70/50/52/519705052.db2.gz	JHSSXUYOVOIZHW-CYBMUJFWSA-N	0	0	432.882	2.077	50	5		IEBARN
CCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1=CCCCC1	ZINC000034878667	519912240	/nfs/dbraw/zinc/91/22/40/519912240.db2.gz	RXOKOOGIVUGNPK-UHFFFAOYSA-N	0	0	436.534	2.208	50	5		IEBARN
CCOC(=O)CSc1ccc(C(=O)N2CCN(C(=O)OCC)CC2)cc1[N+](=O)[O-]	ZINC000020664196	520811885	/nfs/dbraw/zinc/81/18/85/520811885.db2.gz	AGXFRGDLOPLGKI-UHFFFAOYSA-N	0	0	425.463	2.164	50	5		IEBARN
COc1cc(C(=O)N2C[C@H](C(=O)N(C)C)Oc3ccccc32)c([N+](=O)[O-])c(OC)c1OC	ZINC000021677510	522095011	/nfs/dbraw/zinc/09/50/11/522095011.db2.gz	NOQPEARCVYPHRW-MRXNPFEDSA-N	0	0	445.428	2.117	50	5		IEBARN
CC[C@H](C)C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1	ZINC000022412793	523829436	/nfs/dbraw/zinc/82/94/36/523829436.db2.gz	ZSHSZARVHBMQNJ-HNNXBMFYSA-N	0	0	426.539	2.320	50	5		IEBARN
Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-]	ZINC000012786684	525202858	/nfs/dbraw/zinc/20/28/58/525202858.db2.gz	YGJBBTHRJFZPND-INIZCTEOSA-N	0	0	447.469	2.466	50	5		IEBARN
C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1	ZINC000012642802	525217384	/nfs/dbraw/zinc/21/73/84/525217384.db2.gz	RUFMJCWSUSTKLQ-AWEZNQCLSA-N	0	0	433.486	2.326	50	5		IEBARN
CS(=O)(=O)c1ccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]	ZINC000008691149	525243258	/nfs/dbraw/zinc/24/32/58/525243258.db2.gz	BTXTVUJWNPMQBT-UHFFFAOYSA-N	0	0	436.486	2.240	50	5		IEBARN
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035105164	525593072	/nfs/dbraw/zinc/59/30/72/525593072.db2.gz	ICBKIPGVFKUTRG-CROMWVBPSA-N	0	0	448.435	2.035	50	5		IEBARN
O=C(NCCCc1ccccc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000012880999	526276188	/nfs/dbraw/zinc/27/61/88/526276188.db2.gz	QRTOLPWPZGSESF-UHFFFAOYSA-N	0	0	432.502	2.244	50	5		IEBARN
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000012776712	526693696	/nfs/dbraw/zinc/69/36/96/526693696.db2.gz	FWPGDNVKOYOWAA-UHFFFAOYSA-N	0	0	445.906	2.261	50	5		IEBARN
Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc21	ZINC000012596963	527159636	/nfs/dbraw/zinc/15/96/36/527159636.db2.gz	FTSCAHKEJUENMD-UHFFFAOYSA-N	0	0	428.470	2.233	50	5		IEBARN
O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCOCC1	ZINC000021842040	527229287	/nfs/dbraw/zinc/22/92/87/527229287.db2.gz	ZVLJXDIIHSPQAV-OAQYLSRUSA-N	0	0	426.473	2.443	50	5		IEBARN
O=C(Cn1nnc(-c2ccccc2)n1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000012587141	527427728	/nfs/dbraw/zinc/42/77/28/527427728.db2.gz	AULFQUPYDUOKNI-UHFFFAOYSA-N	0	0	427.852	2.251	50	5		IEBARN
Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(Nc2ccccc2)c1[N+](=O)[O-]	ZINC000035681948	527556769	/nfs/dbraw/zinc/55/67/69/527556769.db2.gz	ICPOVMQFFXNSCZ-UHFFFAOYSA-N	0	0	429.462	2.013	50	5		IEBARN
Cn1c2cc([N+](=O)[O-])c(N3CCN(C(=O)c4ccccc4Cl)CC3)cc2n(C)c1=O	ZINC000008667154	556197848	/nfs/dbraw/zinc/19/78/48/556197848.db2.gz	VWTVDMVZUYRJED-UHFFFAOYSA-N	0	0	429.864	2.401	50	5		IEBARN
Cc1nn(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c(C)c1[N+](=O)[O-]	ZINC000097674615	556288708	/nfs/dbraw/zinc/28/87/08/556288708.db2.gz	WOGFAXFJWQPHLH-OQLLNIDSSA-N	0	0	447.448	2.400	50	5		IEBARN
C[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1nc(C(C)(C)C)no1	ZINC000032754359	556323483	/nfs/dbraw/zinc/32/34/83/556323483.db2.gz	HHLJAEYCNGMIAY-GFCCVEGCSA-N	0	0	440.478	2.436	50	5		IEBARN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCN(CCO)CC1	ZINC000033014457	556664681	/nfs/dbraw/zinc/66/46/81/556664681.db2.gz	GBOADLPTAKGWHN-UHFFFAOYSA-N	0	0	440.909	2.163	50	5		IEBARN
CC(C)n1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c1nc1ccccn1c2=O	ZINC000100755815	556664938	/nfs/dbraw/zinc/66/49/38/556664938.db2.gz	JJPXJMFZHAEXIN-UHFFFAOYSA-N	0	0	431.452	2.368	50	5	biogenic	IEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3CCC[C@@H]23)C1O	ZINC000248149638	556669310	/nfs/dbraw/zinc/66/93/10/556669310.db2.gz	VHKHFMYNLHHQFA-MVJPYGJCSA-N	0	0	435.436	2.439	50	5		IEBARN
Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1C	ZINC000013856686	556745802	/nfs/dbraw/zinc/74/58/02/556745802.db2.gz	HVATYJCAHNMXGO-KRWDZBQOSA-N	0	0	439.424	2.131	50	5		IEBARN
CS(=O)(=O)c1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1[N+](=O)[O-]	ZINC000002631488	556800946	/nfs/dbraw/zinc/80/09/46/556800946.db2.gz	BHULYBFXSIJCGP-UHFFFAOYSA-N	0	0	438.370	2.130	50	5		IEBARN
O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3ncccn3)C2)c(S(=O)(=O)N2CCCC2)c1	ZINC000048247952	557048128	/nfs/dbraw/zinc/04/81/28/557048128.db2.gz	CGCGAEJTDWEOBP-OAHLLOKOSA-N	0	0	432.506	2.250	50	5		IEBARN
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1	ZINC000049581223	557116244	/nfs/dbraw/zinc/11/62/44/557116244.db2.gz	ASKYHWKPJJZKRI-CRAIPNDOSA-N	0	0	435.502	2.397	50	5		IEBARN
O=C(Cn1c(=O)c(N2CCCC2)nc2ccc([N+](=O)[O-])cc21)Nc1ccc2c(c1)OCO2	ZINC000024755539	557133793	/nfs/dbraw/zinc/13/37/93/557133793.db2.gz	IQBNRWFCCJHQLW-UHFFFAOYSA-N	0	0	437.412	2.272	50	5		IEBARN
CC(=O)OCCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c1nc1ccccn1c2=O	ZINC000100894486	557198986	/nfs/dbraw/zinc/19/89/86/557198986.db2.gz	RYPIUTIXSFFQBF-OAHLLOKOSA-N	0	0	445.479	2.183	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000011004672	557239225	/nfs/dbraw/zinc/23/92/25/557239225.db2.gz	XTCSAJFHKCPYLF-UHFFFAOYSA-N	0	0	437.449	2.279	50	5		IEBARN
CCOc1ccc(OCC)c(NC(=O)COc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c1	ZINC000024928661	557240828	/nfs/dbraw/zinc/24/08/28/557240828.db2.gz	KEYKTLJDYQMOJA-UHFFFAOYSA-N	0	0	439.446	2.057	50	5		IEBARN
COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc(C(=O)OC)c1	ZINC000015012552	557242969	/nfs/dbraw/zinc/24/29/69/557242969.db2.gz	HINMZCFTHMEYJK-UHFFFAOYSA-N	0	0	443.412	2.257	50	5		IEBARN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cc(OC)c([N+](=O)[O-])cc4C)C(O)=C23)c(OC)c1	ZINC000101239271	557264676	/nfs/dbraw/zinc/26/46/76/557264676.db2.gz	JGXZBCCQCYRVOJ-MJGOQNOKSA-N	0	0	441.396	2.222	50	5		IEBARN
CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1	ZINC000101359690	557279709	/nfs/dbraw/zinc/27/97/09/557279709.db2.gz	SYZABLXDFQEWSA-FQEVSTJZSA-N	0	0	437.456	2.007	50	5		IEBARN
N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(F)cc1	ZINC000101228943	557285202	/nfs/dbraw/zinc/28/52/02/557285202.db2.gz	QYMHBFZWJITDLS-QGZVFWFLSA-N	0	0	447.470	2.225	50	5		IEBARN
CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC2CC2)nn1C	ZINC000102034332	557312119	/nfs/dbraw/zinc/31/21/19/557312119.db2.gz	RSVAIKXQJOWWLA-NSHDSACASA-N	0	0	437.478	2.090	50	5		IEBARN
C[C@@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000014254801	557329455	/nfs/dbraw/zinc/32/94/55/557329455.db2.gz	WPYRTTJJYBLSBZ-TZMCWYRMSA-N	0	0	426.491	2.083	50	5		IEBARN
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)c1cccc([N+](=O)[O-])c1	ZINC000011689620	557367913	/nfs/dbraw/zinc/36/79/13/557367913.db2.gz	JBICOYHXJIRATM-UHFFFAOYSA-N	0	0	431.426	2.170	50	5		IEBARN
N=c1c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1	ZINC000100515142	557414264	/nfs/dbraw/zinc/41/42/64/557414264.db2.gz	NAWYSLYQWFOKGC-SFHVURJKSA-N	0	0	443.507	2.280	50	5		IEBARN
CNS(=O)(=O)c1ccc(C(=O)OCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1	ZINC000025056762	557858921	/nfs/dbraw/zinc/85/89/21/557858921.db2.gz	UILISPXCRVCVPP-UHFFFAOYSA-N	0	0	446.384	2.470	50	5		IEBARN
COc1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C3)cc1	ZINC000003009142	562931624	/nfs/dbraw/zinc/93/16/24/562931624.db2.gz	RPOLFLJPBZZYPP-UHFFFAOYSA-N	0	0	428.426	2.470	50	5		IEBARN
O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1	ZINC000003056182	562932337	/nfs/dbraw/zinc/93/23/37/562932337.db2.gz	MKMKJRYAVRPJHY-AQTBWJFISA-N	0	0	426.385	2.133	50	5		IEBARN
Cc1ccc(NC(=O)COc2cccnc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1	ZINC000008687835	562963076	/nfs/dbraw/zinc/96/30/76/562963076.db2.gz	YHBKCJIDUKUBEN-UHFFFAOYSA-N	0	0	434.474	2.490	50	5		IEBARN
COCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008710321	562963835	/nfs/dbraw/zinc/96/38/35/562963835.db2.gz	BYZSDPHEZMQRRQ-SFHVURJKSA-N	0	0	432.458	2.290	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000009666136	562974994	/nfs/dbraw/zinc/97/49/94/562974994.db2.gz	VZSZVPCWUWJPKY-UHFFFAOYSA-N	0	0	434.474	2.439	50	5		IEBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1	ZINC000009670424	562975144	/nfs/dbraw/zinc/97/51/44/562975144.db2.gz	LGHZNTQUWULHFB-UHFFFAOYSA-N	0	0	436.442	2.258	50	5		IEBARN
COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])cc1OC	ZINC000019866997	563023282	/nfs/dbraw/zinc/02/32/82/563023282.db2.gz	QKNSBHUUQTXINE-UHFFFAOYSA-N	0	0	429.429	2.299	50	5		IEBARN
Cc1cccnc1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1C	ZINC000037867774	563096017	/nfs/dbraw/zinc/09/60/17/563096017.db2.gz	IBRJYXJALLWMJJ-UHFFFAOYSA-N	0	0	441.473	2.088	50	5		IEBARN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cc(OC)c([N+](=O)[O-])cc4C)C(O)=C23)c(OC)c1	ZINC000104055331	568622380	/nfs/dbraw/zinc/62/23/80/568622380.db2.gz	JGXZBCCQCYRVOJ-HKUYNNGSSA-N	0	0	441.396	2.222	50	5		IEBARN
Cc1cc(Cl)ccc1NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000000941673	568641446	/nfs/dbraw/zinc/64/14/46/568641446.db2.gz	JDXUNGGEDUTPNP-UHFFFAOYSA-N	0	0	431.788	2.335	50	5		IEBARN
Cc1ccc(NC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1Cl	ZINC000000941676	568641617	/nfs/dbraw/zinc/64/16/17/568641617.db2.gz	NOKUEFJVOUWUMU-UHFFFAOYSA-N	0	0	431.788	2.335	50	5		IEBARN
O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000025326386	568653124	/nfs/dbraw/zinc/65/31/24/568653124.db2.gz	FHXGKSFCKPNQSG-IBGZPJMESA-N	0	0	446.529	2.296	50	5		IEBARN
Cn1c(=O)c2c3oc(-c4ccc([N+](=O)[O-])cc4)nc3c(=O)n(-c3ccccc3)c2n(C)c1=O	ZINC000001036979	568653757	/nfs/dbraw/zinc/65/37/57/568653757.db2.gz	JWYGUOCUSQDBDX-UHFFFAOYSA-N	0	0	445.391	2.105	50	5		IEBARN
CCCS(=O)(=O)c1ccc(COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	ZINC000001124046	568659979	/nfs/dbraw/zinc/65/99/79/568659979.db2.gz	GDABYVNULDNALV-UHFFFAOYSA-N	0	0	446.437	2.118	50	5		IEBARN
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N[C@H]1CCCC[C@H]1O	ZINC000001206519	568737072	/nfs/dbraw/zinc/73/70/72/568737072.db2.gz	WMPNPDAPYZRGSP-RBUKOAKNSA-N	0	0	433.486	2.210	50	5		IEBARN
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc21	ZINC000015327541	568758351	/nfs/dbraw/zinc/75/83/51/568758351.db2.gz	LXPIZYPHUQMQIX-UHFFFAOYSA-N	0	0	444.513	2.405	50	5		IEBARN
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F	ZINC000015525268	568796558	/nfs/dbraw/zinc/79/65/58/568796558.db2.gz	CAILFUQGVINVDT-LJQANCHMSA-N	0	0	442.403	2.444	50	5		IEBARN
COc1ccc(C(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1[N+](=O)[O-]	ZINC000006181969	568869645	/nfs/dbraw/zinc/86/96/45/568869645.db2.gz	OMHVZEMXHGMJGH-CXUHLZMHSA-N	0	0	428.426	2.465	50	5		IEBARN
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)nc1	ZINC000012947095	568871239	/nfs/dbraw/zinc/87/12/39/568871239.db2.gz	FYUJQEBDAGUNAQ-UHFFFAOYSA-N	0	0	433.309	2.325	50	5		IEBARN
C[C@H](OC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000036406064	569103308	/nfs/dbraw/zinc/10/33/08/569103308.db2.gz	QAAFXXJJKNVMMM-CRWXNKLISA-N	0	0	431.445	2.016	50	5		IEBARN
O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036597401	569118694	/nfs/dbraw/zinc/11/86/94/569118694.db2.gz	MQZGXDXIOJHCEN-LJQANCHMSA-N	0	0	437.456	2.349	50	5		IEBARN
Cn1cc(-c2nn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c(-c3cnn(C)c3)c2Cl)cn1	ZINC000036611573	569123653	/nfs/dbraw/zinc/12/36/53/569123653.db2.gz	ILOUMBJRLUUFIZ-UHFFFAOYSA-N	0	0	447.864	2.483	50	5		IEBARN
CCNC(=O)[C@@H](C)OC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000013159111	569125767	/nfs/dbraw/zinc/12/57/67/569125767.db2.gz	DTCCMWYBJYBEHJ-CYBMUJFWSA-N	0	0	436.442	2.352	50	5		IEBARN
CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000170619889	569147477	/nfs/dbraw/zinc/14/74/77/569147477.db2.gz	YWEWQXIKVFZYSX-UHFFFAOYSA-N	0	0	449.869	2.047	50	5		IEBARN
O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-]	ZINC000009883360	569149953	/nfs/dbraw/zinc/14/99/53/569149953.db2.gz	UEIJXKUIGFSTEP-UHFFFAOYSA-N	0	0	441.849	2.099	50	5		IEBARN
O=C(COc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000089814459	569165149	/nfs/dbraw/zinc/16/51/49/569165149.db2.gz	JJGHWENEXLCWOQ-UHFFFAOYSA-N	0	0	439.877	2.160	50	5		IEBARN
CCCc1nn(C)c(C(=O)Nc2ccc(CS(=O)(=O)N3CCCC3)cc2)c1[N+](=O)[O-]	ZINC000017197630	569175849	/nfs/dbraw/zinc/17/58/49/569175849.db2.gz	KKUOPBAFQLAWOE-UHFFFAOYSA-N	0	0	435.506	2.459	50	5		IEBARN
N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1	ZINC000100627585	569180146	/nfs/dbraw/zinc/18/01/46/569180146.db2.gz	RWBPQACMMXFUDA-UHFFFAOYSA-N	0	0	426.436	2.095	50	5		IEBARN
COCCNC(=O)[C@@H]1CCCN(C(=O)c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)C1	ZINC000037425891	569195643	/nfs/dbraw/zinc/19/56/43/569195643.db2.gz	GJRIZOUKDBVLGS-CYBMUJFWSA-N	0	0	433.490	2.410	50	5		IEBARN
COc1cc(CN2CCc3cc(S(N)(=O)=O)ccc32)c([N+](=O)[O-])cc1OC(F)F	ZINC000027551836	569272167	/nfs/dbraw/zinc/27/21/67/569272167.db2.gz	JKTQNUNBLUCFNG-UHFFFAOYSA-N	0	0	429.401	2.415	50	5		IEBARN
COc1cc(N2C(=O)[C@H]3[C@@H]4C=CC=NN4[C@@H](C(=O)C(C)(C)C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000253487540	569283001	/nfs/dbraw/zinc/28/30/01/569283001.db2.gz	LOVGPOBXAVPMQR-GYIHYUDTSA-N	0	0	440.456	2.241	50	5		IEBARN
COc1cc(N2C(=O)[C@H]3[C@H]4C=CC=NN4[C@H](C(=O)C(C)(C)C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000253487541	569283043	/nfs/dbraw/zinc/28/30/43/569283043.db2.gz	LOVGPOBXAVPMQR-IEGACIPQSA-N	0	0	440.456	2.241	50	5		IEBARN
O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1)Nc1ccc(F)cc1	ZINC000078903575	569299894	/nfs/dbraw/zinc/29/98/94/569299894.db2.gz	IUFCZANBZDILKE-UHFFFAOYSA-N	0	0	443.435	2.451	50	5		IEBARN
O=C(Cc1c(F)cccc1Cl)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000013112789	569310125	/nfs/dbraw/zinc/31/01/25/569310125.db2.gz	DLHQQAPYQQZUNY-UHFFFAOYSA-N	0	0	441.868	2.463	50	5		IEBARN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cnc(Br)c(Br)c1	ZINC000079098102	569325326	/nfs/dbraw/zinc/32/53/26/569325326.db2.gz	VXOARFICIDTVQO-UHFFFAOYSA-N	0	0	432.028	2.315	50	5		IEBARN
COc1cccc(N2CCN(c3cc(NCCCO)c([N+](=O)[O-])c4nonc43)CC2)c1	ZINC000020108047	569334412	/nfs/dbraw/zinc/33/44/12/569334412.db2.gz	HMPFGBQXUMLJIK-UHFFFAOYSA-N	0	0	428.449	2.261	50	5		IEBARN
CCc1nc(CN(C(C)=O)[C@H]2CCN(c3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])C2)no1	ZINC000095973741	569377541	/nfs/dbraw/zinc/37/75/41/569377541.db2.gz	LMTMPDOKBRVAFN-INIZCTEOSA-N	0	0	444.492	2.306	50	5		IEBARN
O=C(NCCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000096301234	569392090	/nfs/dbraw/zinc/39/20/90/569392090.db2.gz	FJQAMQZHHUMHDZ-IBGZPJMESA-N	0	0	442.447	2.275	50	5		IEBARN
O=C(COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc2c(c1)CCC2	ZINC000002660302	569416029	/nfs/dbraw/zinc/41/60/29/569416029.db2.gz	JAFPZJMKUUHDSX-UHFFFAOYSA-N	0	0	437.408	2.252	50	5		IEBARN
CC[C@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000002751211	569420058	/nfs/dbraw/zinc/42/00/58/569420058.db2.gz	QOTSMKDVFNIEMN-QJXUFPCYSA-N	0	0	433.442	2.216	50	5		IEBARN
Cc1nn(Cc2ccc(C3N=NC(=S)N3CCCN3CCOCC3)o2)c(C)c1[N+](=O)[O-]	ZINC000002791133	569421504	/nfs/dbraw/zinc/42/15/04/569421504.db2.gz	CVZMVYZGEVDIAU-UHFFFAOYSA-N	0	0	447.521	2.319	50	5		IEBARN
Cn1cc(/C=C2\N=C(SCC(=O)Nc3cccc([N+](=O)[O-])c3)N(C3CC3)C2=O)cn1	ZINC000002792549	569421578	/nfs/dbraw/zinc/42/15/78/569421578.db2.gz	XLNLGYZFHAYSMI-APSNUPSMSA-N	0	0	426.458	2.402	50	5		IEBARN
CCOC(=O)CN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000003028186	569436349	/nfs/dbraw/zinc/43/63/49/569436349.db2.gz	BQQUXSWTJHACCJ-UHFFFAOYSA-N	0	0	438.458	2.366	50	5		IEBARN
O=C(COC(=O)CNC(=O)c1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1	ZINC000003280387	569443831	/nfs/dbraw/zinc/44/38/31/569443831.db2.gz	VNYYAIXPMAESHW-UHFFFAOYSA-N	0	0	436.218	2.269	50	5		IEBARN
Cc1cc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(-c2nc(C)cc(C)n2)n1	ZINC000003279963	569443861	/nfs/dbraw/zinc/44/38/61/569443861.db2.gz	KBAWPJYCJSVECU-UHFFFAOYSA-N	0	0	449.427	2.121	50	5		IEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccccc1OC	ZINC000031937276	569458433	/nfs/dbraw/zinc/45/84/33/569458433.db2.gz	AOAWXMHAQVAWIZ-QQTULTPQSA-N	0	0	432.436	2.113	50	5		IEBARN
COc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c([N+](=O)[O-])c1	ZINC000032436901	569461711	/nfs/dbraw/zinc/46/17/11/569461711.db2.gz	XGRSQSYPLFJPHT-UHFFFAOYSA-N	0	0	425.507	2.453	50	5		IEBARN
COCCCN1C(=O)c2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O	ZINC000008721824	569471639	/nfs/dbraw/zinc/47/16/39/569471639.db2.gz	WHNLHIZQSKVFCD-UHFFFAOYSA-N	0	0	426.381	2.267	50	5		IEBARN
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1Cc1ccc(F)cc1	ZINC000040050078	569484159	/nfs/dbraw/zinc/48/41/59/569484159.db2.gz	JZOCUPWOJYVFOW-UHFFFAOYSA-N	0	0	426.404	2.344	50	5		IEBARN
Cn1c2c(c(-c3cccc([N+](=O)[O-])c3)n3c2[C@@H](c2cccc(O)c2)OCC3)c(=O)n(C)c1=O	ZINC000009136047	569507108	/nfs/dbraw/zinc/50/71/08/569507108.db2.gz	QWZCUQXJQRHNAL-OAQYLSRUSA-N	0	0	448.435	2.439	50	5		IEBARN
CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)c1	ZINC000009346735	569524276	/nfs/dbraw/zinc/52/42/76/569524276.db2.gz	PHZOWFQKYSCJNO-UHFFFAOYSA-N	0	0	433.358	2.209	50	5		IEBARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1	ZINC000009428488	569533578	/nfs/dbraw/zinc/53/35/78/569533578.db2.gz	UREIMRHCAAQQFO-FUMNGEBKSA-N	0	0	446.419	2.200	50	5		IEBARN
CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1	ZINC000009633836	569554362	/nfs/dbraw/zinc/55/43/62/569554362.db2.gz	XFXJJCBDDGBWJV-UHFFFAOYSA-N	0	0	431.401	2.312	50	5		IEBARN
CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000009662353	569557074	/nfs/dbraw/zinc/55/70/74/569557074.db2.gz	BXYXWGKAPJXUJX-UHFFFAOYSA-N	0	0	427.413	2.430	50	5		IEBARN
Cc1c(NC(=O)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	ZINC000009993623	569576964	/nfs/dbraw/zinc/57/69/64/569576964.db2.gz	BEUWSVRQLVJBRF-UHFFFAOYSA-N	0	0	443.847	2.415	50	5		IEBARN
Cc1ccccc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	ZINC000004125270	132270576	/nfs/dbraw/zinc/27/05/76/132270576.db2.gz	NLYIASUWGOYORO-UHFFFAOYSA-N	0	0	440.500	2.467	50	5		IEBARN
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1N1CCOCC1	ZINC000008649061	132289129	/nfs/dbraw/zinc/28/91/29/132289129.db2.gz	PJOMEJPWHQZLHB-UHFFFAOYSA-N	0	0	446.529	2.083	50	5		IEBARN
O=C([C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009095563	132302630	/nfs/dbraw/zinc/30/26/30/132302630.db2.gz	GCYWBYKLDFZFCJ-SFHVURJKSA-N	0	0	440.475	2.474	50	5		IEBARN
O=c1/c(=C/c2cccc(Br)c2)sc2n1CN(c1ccc([N+](=O)[O-])cc1)CN=2	ZINC000009111166	132303201	/nfs/dbraw/zinc/30/32/01/132303201.db2.gz	AWWLDQSPTDLRIW-SXGWCWSVSA-N	0	0	445.298	2.464	50	5		IEBARN
NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	ZINC000009244403	132310392	/nfs/dbraw/zinc/31/03/92/132310392.db2.gz	ZPTKXIAPURBXAE-UHFFFAOYSA-N	0	0	426.429	2.480	50	5		IEBARN
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000009373538	132314489	/nfs/dbraw/zinc/31/44/89/132314489.db2.gz	PWEXYVGCKQEWHF-UHFFFAOYSA-N	0	0	445.428	2.488	50	5		IEBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(c2ccccn2)CC1	ZINC000009469668	132318785	/nfs/dbraw/zinc/31/87/85/132318785.db2.gz	IQGJZTIXSHTNIZ-UHFFFAOYSA-N	0	0	431.518	2.491	50	5		IEBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N1CCN(c2ccccc2O)CC1	ZINC000009539490	132321035	/nfs/dbraw/zinc/32/10/35/132321035.db2.gz	GFXFFBJAWADNOL-UHFFFAOYSA-N	0	0	432.502	2.412	50	5		IEBARN
CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000012379445	519595106	/nfs/dbraw/zinc/59/51/06/519595106.db2.gz	KWCPKYIZOJXLQE-UHFFFAOYSA-N	0	0	427.486	2.390	50	5		IEBARN
CCOc1ccc(CCNC(=O)COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1OCC	ZINC000021728885	520949073	/nfs/dbraw/zinc/94/90/73/520949073.db2.gz	KHBRVRYFUPHTLL-UHFFFAOYSA-N	0	0	448.476	2.108	50	5		IEBARN
CCOC(=O)c1c([N-]C(=O)c2c(C)nn3c([N+](=O)[O-])c(C)[nH][n+]23)sc2c1CCCC2	ZINC000012413891	521418902	/nfs/dbraw/zinc/41/89/02/521418902.db2.gz	FBDUXEJZHQPIOW-UHFFFAOYSA-O	0	0	433.470	2.142	50	5		IEBARN
CCOC(=O)c1ccc(-n2nnnc2[C@H](c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1	ZINC000022078831	521462549	/nfs/dbraw/zinc/46/25/49/521462549.db2.gz	UKSLTJRBOWWSJF-IBGZPJMESA-N	0	0	438.444	2.169	50	5		IEBARN
CCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1cccnc1	ZINC000012465831	521640370	/nfs/dbraw/zinc/64/03/70/521640370.db2.gz	NVUYZWVSOBOUGG-LHLOQNFPSA-N	0	0	431.452	2.372	50	5		IEBARN
CC[C@@H](C(=O)NCCn1cc([N+](=O)[O-])c(OC)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC000020607606	521843822	/nfs/dbraw/zinc/84/38/22/521843822.db2.gz	NTALZRLUSYCRKQ-NSHDSACASA-N	0	0	430.387	2.271	50	5		IEBARN
COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000016383732	522980819	/nfs/dbraw/zinc/98/08/19/522980819.db2.gz	CAYATBDBGRDXAJ-UHFFFAOYSA-N	0	0	428.426	2.103	50	5		IEBARN
CN1CCN(C(=O)c2ccc(S(=O)(=O)Cc3cc(F)ccc3F)c([N+](=O)[O-])c2)CC1	ZINC000020663612	523883317	/nfs/dbraw/zinc/88/33/17/523883317.db2.gz	NRGXSAOYQWEGRS-UHFFFAOYSA-N	0	0	439.440	2.235	50	5		IEBARN
CN1CCN(S(=O)(=O)c2ccc(-n3cnc4cc(F)c(F)cc43)c([N+](=O)[O-])c2)CC1	ZINC000012644530	523914413	/nfs/dbraw/zinc/91/44/13/523914413.db2.gz	QSLTUEISWOVVQD-UHFFFAOYSA-N	0	0	437.428	2.148	50	5		IEBARN
COc1ccc(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)c([N+](=O)[O-])c1	ZINC000012860044	524495567	/nfs/dbraw/zinc/49/55/67/524495567.db2.gz	NXNHTPYKPZBBOA-UHFFFAOYSA-N	0	0	426.473	2.295	50	5		IEBARN
Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)cc1S(=O)(=O)N(C)C	ZINC000014360777	525066411	/nfs/dbraw/zinc/06/64/11/525066411.db2.gz	HEXNKUDUTAQPKB-UHFFFAOYSA-N	0	0	427.460	2.011	50	5		IEBARN
C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000012739748	525891873	/nfs/dbraw/zinc/89/18/73/525891873.db2.gz	QAAFXXJJKNVMMM-XJFOESAGSA-N	0	0	431.445	2.016	50	5		IEBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@@H](C)C(=O)NC2CCCCC2)CC1	ZINC000016520701	526086582	/nfs/dbraw/zinc/08/65/82/526086582.db2.gz	RREFQTBMONCOTN-INIZCTEOSA-N	0	0	438.550	2.047	50	5		IEBARN
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000012886075	526167165	/nfs/dbraw/zinc/16/71/65/526167165.db2.gz	RUDUXTNFQLVFSN-MRXNPFEDSA-N	0	0	432.502	2.069	50	5		IEBARN
Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-]	ZINC000016658918	526236287	/nfs/dbraw/zinc/23/62/87/526236287.db2.gz	PXZNSFLUUUBWLQ-UHFFFAOYSA-N	0	0	426.429	2.436	50	5		IEBARN
O=C(NCc1ccccc1CN1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000031833972	526745366	/nfs/dbraw/zinc/74/53/66/526745366.db2.gz	DVBIVEGEIDVVPR-UHFFFAOYSA-N	0	0	439.516	2.459	50	5		IEBARN
O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000012886976	526760805	/nfs/dbraw/zinc/76/08/05/526760805.db2.gz	RNRYCRFNIZALOD-UHFFFAOYSA-N	0	0	439.877	2.199	50	5		IEBARN
O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000012311861	526909211	/nfs/dbraw/zinc/90/92/11/526909211.db2.gz	ARBMXYJUOVUPFC-UHFFFAOYSA-N	0	0	447.469	2.104	50	5		IEBARN
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cn1	ZINC000012527545	527362471	/nfs/dbraw/zinc/36/24/71/527362471.db2.gz	GTILZGHSGODAQT-UHFFFAOYSA-N	0	0	427.280	2.263	50	5		IEBARN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1CCc1ccccc1	ZINC000229904773	556407010	/nfs/dbraw/zinc/40/70/10/556407010.db2.gz	REDKVHYIYJYLFH-CVDCTZTESA-N	0	0	434.452	2.427	50	5		IEBARN
O=C(Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O)Nc1cc(F)ccc1F	ZINC000032831895	556417329	/nfs/dbraw/zinc/41/73/29/556417329.db2.gz	NSMMGCNGQCZKFU-UHFFFAOYSA-N	0	0	426.339	2.407	50	5		IEBARN
Cc1ccc(S(=O)(=O)N2CCCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC2)cc1	ZINC000030674188	556501799	/nfs/dbraw/zinc/50/17/99/556501799.db2.gz	MHXTXSHBLZUNFL-UHFFFAOYSA-N	0	0	443.485	2.041	50	5		IEBARN
CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCNC(=O)c1ccccc1Cl	ZINC000072307821	556563179	/nfs/dbraw/zinc/56/31/79/556563179.db2.gz	AJJXBEFMGOWORO-UHFFFAOYSA-N	0	0	442.881	2.272	50	5		IEBARN
CCc1ccc(OC[C@@H](O)Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)cc1	ZINC000032911931	556585344	/nfs/dbraw/zinc/58/53/44/556585344.db2.gz	VKSCQVOSTCCTCX-INIZCTEOSA-N	0	0	435.440	2.493	50	5		IEBARN
O=[N+]([O-])c1ccc(F)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	ZINC000032913376	556598380	/nfs/dbraw/zinc/59/83/80/556598380.db2.gz	QZSDFHVAAAJBFJ-UHFFFAOYSA-N	0	0	437.449	2.406	50	5		IEBARN
Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1	ZINC000032936321	556678727	/nfs/dbraw/zinc/67/87/27/556678727.db2.gz	QJTDJGKLCLPXLP-UHFFFAOYSA-N	0	0	446.441	2.317	50	5		IEBARN
O=C(CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)Nc1ccc(-n2cncn2)cc1	ZINC000060362336	556747251	/nfs/dbraw/zinc/74/72/51/556747251.db2.gz	CPEXIPHJXLELLI-UHFFFAOYSA-N	0	0	445.233	2.307	50	5		IEBARN
Cc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(=O)N2CCN(C)CC2)cc1	ZINC000022996759	556839215	/nfs/dbraw/zinc/83/92/15/556839215.db2.gz	ALMWASWXOZXQFC-UHFFFAOYSA-N	0	0	432.502	2.462	50	5		IEBARN
COc1cccc([C@H](CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])N2CCOCC2)c1	ZINC000023105995	557000939	/nfs/dbraw/zinc/00/09/39/557000939.db2.gz	FIYIWLRJBDEICL-IBGZPJMESA-N	0	0	445.472	2.424	50	5		IEBARN
COc1cccc([C@@H](CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])N2CCOCC2)c1	ZINC000023105992	557000954	/nfs/dbraw/zinc/00/09/54/557000954.db2.gz	FIYIWLRJBDEICL-LJQANCHMSA-N	0	0	445.472	2.424	50	5		IEBARN
COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)N2CCOCC2)cc1	ZINC000023107562	557002194	/nfs/dbraw/zinc/00/21/94/557002194.db2.gz	UVKZKUYWXCUXJQ-HXUWFJFHSA-N	0	0	442.472	2.040	50	5		IEBARN
O=C(c1ccn(COc2ccccc2[N+](=O)[O-])n1)N1NC(C(F)F)=C[C@@]1(O)C(F)F	ZINC000013960016	557008559	/nfs/dbraw/zinc/00/85/59/557008559.db2.gz	QFWZALJANXGKRD-MRXNPFEDSA-N	0	0	431.302	2.249	50	5		IEBARN
Cc1nn(Cc2ccc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)o2)c(C)c1[N+](=O)[O-]	ZINC000000655198	557125956	/nfs/dbraw/zinc/12/59/56/557125956.db2.gz	NTNFSMLRXCUIOB-MRXNPFEDSA-N	0	0	433.318	2.470	50	5		IEBARN
COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1[N+](=O)[O-]	ZINC000011450780	557149507	/nfs/dbraw/zinc/14/95/07/557149507.db2.gz	JTLGPFZVIZMWPU-UHFFFAOYSA-N	0	0	425.488	2.248	50	5		IEBARN
COC(=O)Cn1c2cc3c(cc2s/c1=N\C(=O)c1ccccc1[N+](=O)[O-])OCCO3	ZINC000101035389	557214826	/nfs/dbraw/zinc/21/48/26/557214826.db2.gz	ZGIBKIBQYNGJJE-VXPUYCOJSA-N	0	0	429.410	2.296	50	5		IEBARN
COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccc(F)cc2)c1=N	ZINC000101077759	557226790	/nfs/dbraw/zinc/22/67/90/557226790.db2.gz	RLKVWGGKBCVERV-UHFFFAOYSA-N	0	0	435.459	2.082	50	5		IEBARN
COCCCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(CCCOC(C)C)c1=N	ZINC000101154322	557257176	/nfs/dbraw/zinc/25/71/76/557257176.db2.gz	QSHQZXFJCOLREM-UHFFFAOYSA-N	0	0	441.532	2.018	50	5		IEBARN
N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1	ZINC000100627214	557266414	/nfs/dbraw/zinc/26/64/14/557266414.db2.gz	OXOSQNAYXYPGAF-GOSISDBHSA-N	0	0	443.507	2.280	50	5		IEBARN
Nc1ccccc1-n1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(-c1ccccc1N)c3=O	ZINC000000828302	557271666	/nfs/dbraw/zinc/27/16/66/557271666.db2.gz	RAJJEYVUSZXYPA-UHFFFAOYSA-N	0	0	448.438	2.208	50	5		IEBARN
COCCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c1nc1c(C)cccn1c2=O	ZINC000101149030	557283665	/nfs/dbraw/zinc/28/36/65/557283665.db2.gz	MREFJNFZXADIGT-UHFFFAOYSA-N	0	0	447.495	2.022	50	5		IEBARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1	ZINC000103520363	557438387	/nfs/dbraw/zinc/43/83/87/557438387.db2.gz	UREIMRHCAAQQFO-WTGUMLROSA-N	0	0	446.419	2.200	50	5		IEBARN
O=C(C1=C2C(O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000103524219	557438401	/nfs/dbraw/zinc/43/84/01/557438401.db2.gz	VJMJZTNTJYQAQD-MKXGPGLRSA-N	0	0	434.383	2.331	50	5		IEBARN
O=C(NCCn1ncc2c1ncn(Cc1cccc(Cl)c1)c2=O)c1ccc([N+](=O)[O-])o1	ZINC000012071500	557526641	/nfs/dbraw/zinc/52/66/41/557526641.db2.gz	PCAMZQZCVAPEOO-UHFFFAOYSA-N	0	0	442.819	2.226	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O	ZINC000002885058	562930425	/nfs/dbraw/zinc/93/04/25/562930425.db2.gz	ZJMVNAGRJRKGRN-UHFFFAOYSA-N	0	0	439.515	2.278	50	5		IEBARN
COc1ccc(Cl)cc1NC(=O)COC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000003376168	562935055	/nfs/dbraw/zinc/93/50/55/562935055.db2.gz	VBGZIFPIMKZNKF-UHFFFAOYSA-N	0	0	435.820	2.477	50	5	aggregator	IEBARN
COc1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c([N+](=O)[O-])cc1OC	ZINC000003498570	562936287	/nfs/dbraw/zinc/93/62/87/562936287.db2.gz	KLYUGZIUQNFULS-UHFFFAOYSA-N	0	0	443.412	2.300	50	5		IEBARN
Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCNS(=O)(=O)c2cccs2)c1C	ZINC000008880758	562965737	/nfs/dbraw/zinc/96/57/37/562965737.db2.gz	DXDOXURRXODXEM-UHFFFAOYSA-N	0	0	441.487	2.123	50	5		IEBARN
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000017052362	563021386	/nfs/dbraw/zinc/02/13/86/563021386.db2.gz	MQXIBZPFRHXWAB-UHFFFAOYSA-N	0	0	444.513	2.342	50	5		IEBARN
O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(F)c(Cl)c1	ZINC000000941678	568641625	/nfs/dbraw/zinc/64/16/25/568641625.db2.gz	BTZYERJKLQFHTP-UHFFFAOYSA-N	0	0	435.751	2.165	50	5		IEBARN
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000052533857	568658467	/nfs/dbraw/zinc/65/84/67/568658467.db2.gz	NCVPMVROJCJXLT-GOSISDBHSA-N	0	0	427.417	2.415	50	5		IEBARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccco1	ZINC000001117600	568659807	/nfs/dbraw/zinc/65/98/07/568659807.db2.gz	QZWGQHCPFMVGEQ-MUMAZLPKSA-N	0	0	439.449	2.300	50	5		IEBARN
COc1ccc(OC)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1	ZINC000001146940	568660999	/nfs/dbraw/zinc/66/09/99/568660999.db2.gz	VIJPGBUJAPEYTB-UHFFFAOYSA-N	0	0	439.446	2.025	50	5		IEBARN
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NCCN3CCOCC3)c([N+](=O)[O-])c2)C1	ZINC000015208351	568732305	/nfs/dbraw/zinc/73/23/05/568732305.db2.gz	MKDGYGAJNXWWIT-HZPDHXFCSA-N	0	0	426.539	2.006	50	5		IEBARN
O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000034872238	568738582	/nfs/dbraw/zinc/73/85/82/568738582.db2.gz	HUWQKTOMXXVNHY-UHFFFAOYSA-N	0	0	438.893	2.193	50	5		IEBARN
C[C@@H](C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000015349437	568758490	/nfs/dbraw/zinc/75/84/90/568758490.db2.gz	XGIBTMSAJAHGRF-KPZWWZAWSA-N	0	0	437.408	2.142	50	5		IEBARN
COc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1	ZINC000001316259	568779211	/nfs/dbraw/zinc/77/92/11/568779211.db2.gz	LNFSXOCYJDOXPS-UHFFFAOYSA-N	0	0	446.423	2.259	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=NN1[C@@H]2C(C)=O	ZINC000248382531	568782603	/nfs/dbraw/zinc/78/26/03/568782603.db2.gz	XFAYNBZCTHYGMB-WCIQWLHISA-N	0	0	434.408	2.071	50	5		IEBARN
CCN1CCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)c([N+](=O)[O-])cc2F)CC1	ZINC000016293694	568875521	/nfs/dbraw/zinc/87/55/21/568875521.db2.gz	WMSMNCOLMMPLLR-UHFFFAOYSA-N	0	0	431.468	2.431	50	5		IEBARN
COC(=O)C1=CN(CCCN2CCCC2=O)C=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1	ZINC000016447500	568902834	/nfs/dbraw/zinc/90/28/34/568902834.db2.gz	HLUNQNLOBLJJOK-UHFFFAOYSA-N	0	0	443.456	2.120	50	5		IEBARN
Cc1ccc(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])c(NC4CC4)n3)CC2)c(C)c1	ZINC000026691784	568907658	/nfs/dbraw/zinc/90/76/58/568907658.db2.gz	XFVFBVXUILAJKF-UHFFFAOYSA-N	0	0	432.506	2.087	50	5		IEBARN
COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccn3)C[C@@H]12	ZINC000169678654	568989973	/nfs/dbraw/zinc/98/99/73/568989973.db2.gz	CXXDUPBBQYZJTR-QUCCMNQESA-N	0	0	425.489	2.010	50	5		IEBARN
COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccn3)C[C@@H]12	ZINC000169678655	568989991	/nfs/dbraw/zinc/98/99/91/568989991.db2.gz	CXXDUPBBQYZJTR-ICSRJNTNSA-N	0	0	425.489	2.010	50	5		IEBARN
Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000036611570	569123573	/nfs/dbraw/zinc/12/35/73/569123573.db2.gz	MCGPFRAAXWXQKD-UHFFFAOYSA-N	0	0	441.473	2.446	50	5		IEBARN
NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])ccc1Cl	ZINC000013134391	569125495	/nfs/dbraw/zinc/12/54/95/569125495.db2.gz	RAOVAHYYSWOLRU-UHFFFAOYSA-N	0	0	448.240	2.345	50	5		IEBARN
O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000009882295	569149673	/nfs/dbraw/zinc/14/96/73/569149673.db2.gz	MRVHHRBWPOWOGQ-UHFFFAOYSA-N	0	0	441.849	2.099	50	5		IEBARN
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000089807684	569165042	/nfs/dbraw/zinc/16/50/42/569165042.db2.gz	RNBHJRJCRIPTMH-RHSMWYFYSA-N	0	0	442.472	2.285	50	5		IEBARN
O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(F)cc4)C[C@@H]32)C(=O)N1	ZINC000016993963	569169426	/nfs/dbraw/zinc/16/94/26/569169426.db2.gz	VTHRZLDSQBPMMM-QGZVFWFLSA-N	0	0	439.403	2.382	50	5		IEBARN
O=C(C1=C2C(O)N(c3cccc(F)c3)C(=O)[C@H]2[C@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000253488001	569283191	/nfs/dbraw/zinc/28/31/91/569283191.db2.gz	VJMJZTNTJYQAQD-HCXYKTFWSA-N	0	0	434.383	2.331	50	5		IEBARN
COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NCCN1CCN(c2ccccc2)CC1	ZINC000055134814	569290536	/nfs/dbraw/zinc/29/05/36/569290536.db2.gz	UHYORXWBDHTYLR-UHFFFAOYSA-N	0	0	427.505	2.221	50	5		IEBARN
CNc1cc(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)ccc1[N+](=O)[O-]	ZINC000009891988	569298298	/nfs/dbraw/zinc/29/82/98/569298298.db2.gz	OSYAGLGTUILDSR-UHFFFAOYSA-N	0	0	436.490	2.165	50	5		IEBARN
CSc1nc2nc(C)c(CCC(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)c(C)n2n1	ZINC000012973493	569305430	/nfs/dbraw/zinc/30/54/30/569305430.db2.gz	BCWRMRPPDXQCFM-INIZCTEOSA-N	0	0	430.490	2.154	50	5		IEBARN
O=[N+]([O-])c1ccc(NCc2nc3cc(F)ccc3[nH]2)c(S(=O)(=O)N2CCOCC2)c1	ZINC000079016290	569322116	/nfs/dbraw/zinc/32/21/16/569322116.db2.gz	SWAJURNPILFBNW-UHFFFAOYSA-N	0	0	435.437	2.243	50	5		IEBARN
Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n(-c2cc(C)nc(C)n2)n1	ZINC000079052949	569323559	/nfs/dbraw/zinc/32/35/59/569323559.db2.gz	PZTMIPDJIQPGIX-UHFFFAOYSA-N	0	0	430.446	2.152	50	5		IEBARN
COc1cc(OC)cc(-n2c(CN3CCOCC3)nc3ccc([N+](=O)[O-])cc3c2=O)c1	ZINC000020155208	569353707	/nfs/dbraw/zinc/35/37/07/569353707.db2.gz	QBRKLVYOLALRJQ-UHFFFAOYSA-N	0	0	426.429	2.143	50	5		IEBARN
Cc1ccc(C(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)cc1[N+](=O)[O-]	ZINC000020178574	569354714	/nfs/dbraw/zinc/35/47/14/569354714.db2.gz	NODSWDOIVDFTLK-UHFFFAOYSA-N	0	0	437.456	2.306	50	5		IEBARN
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1)OCCO2	ZINC000095461948	569370070	/nfs/dbraw/zinc/37/00/70/569370070.db2.gz	SLTBDBMJCZHZAP-INIZCTEOSA-N	0	0	438.433	2.392	50	5		IEBARN
CC(C)NC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)n(C)n1	ZINC000096203475	569386351	/nfs/dbraw/zinc/38/63/51/569386351.db2.gz	MTCZWAIRWAIBKR-UHFFFAOYSA-N	0	0	439.494	2.336	50	5		IEBARN
CCCNC(=O)c1nn(C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)C)c1C	ZINC000096203787	569386516	/nfs/dbraw/zinc/38/65/16/569386516.db2.gz	RGWCXHUMLNFLAZ-UHFFFAOYSA-N	0	0	439.494	2.256	50	5		IEBARN
Cc1ccc2c(c1)c(=O)n(-c1cccc([N+](=O)[O-])c1)c(=O)n2CC(=O)NCc1ccco1	ZINC000096318076	569393578	/nfs/dbraw/zinc/39/35/78/569393578.db2.gz	JTKPKDZTKKJYPL-UHFFFAOYSA-N	0	0	434.408	2.278	50	5		IEBARN
O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000002626523	569411782	/nfs/dbraw/zinc/41/17/82/569411782.db2.gz	HVHGEGIOXVUQCA-UHFFFAOYSA-N	0	0	428.382	2.422	50	5		IEBARN
CCn1cc(NC(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)c(C(=O)NC)n1	ZINC000002809366	569422443	/nfs/dbraw/zinc/42/24/43/569422443.db2.gz	XUDHHROEPNOFGT-UHFFFAOYSA-N	0	0	431.840	2.321	50	5		IEBARN
COc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2)CS(=O)(=O)C3)cc1	ZINC000003009396	569435096	/nfs/dbraw/zinc/43/50/96/569435096.db2.gz	BLYSKRMSGHKOGV-UHFFFAOYSA-N	0	0	428.426	2.470	50	5		IEBARN
C[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C(=O)c2ccccc2C1=O	ZINC000003301723	569445089	/nfs/dbraw/zinc/44/50/89/569445089.db2.gz	CNNHGPOPAYOUOR-SNVBAGLBSA-N	0	0	431.788	2.415	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O	ZINC000003343131	569446999	/nfs/dbraw/zinc/44/69/99/569446999.db2.gz	SFPKHDSZNAZPLO-NRFANRHFSA-N	0	0	426.429	2.485	50	5		IEBARN
O=C(Cc1ccccc1[N+](=O)[O-])OCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1	ZINC000008881141	569482874	/nfs/dbraw/zinc/48/28/74/569482874.db2.gz	POANKFAHPQSZGI-KRWDZBQOSA-N	0	0	438.502	2.029	50	5		IEBARN
NS(=O)(=O)c1ccc(OCc2cc3c(cc2Br)OCCO3)c([N+](=O)[O-])c1	ZINC000040042804	569483506	/nfs/dbraw/zinc/48/35/06/569483506.db2.gz	FFPXRVPVFKEUAD-UHFFFAOYSA-N	0	0	445.247	2.355	50	5		IEBARN
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nccs3)C2)cc1[N+](=O)[O-]	ZINC000040149895	569492632	/nfs/dbraw/zinc/49/26/32/569492632.db2.gz	FHFDHRJHSDBPNA-NSHDSACASA-N	0	0	426.476	2.099	50	5		IEBARN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1CCc1ccccc1	ZINC000008971396	569492722	/nfs/dbraw/zinc/49/27/22/569492722.db2.gz	REDKVHYIYJYLFH-AUSIDOKSSA-N	0	0	434.452	2.427	50	5		IEBARN
Cn1c2nc3n(cc(-c4cccc([N+](=O)[O-])c4)n3-c3ccccc3F)c2c(=O)n(C)c1=O	ZINC000009009359	569496278	/nfs/dbraw/zinc/49/62/78/569496278.db2.gz	DNADURDHLVKVBW-UHFFFAOYSA-N	0	0	434.387	2.390	50	5		IEBARN
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)NC(=O)NCc1ccccc1	ZINC000009120143	569503788	/nfs/dbraw/zinc/50/37/88/569503788.db2.gz	YMVPBXONXKZHAJ-UHFFFAOYSA-N	0	0	426.429	2.378	50	5		IEBARN
O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])N1CCc2ccccc2C1	ZINC000009127851	569505273	/nfs/dbraw/zinc/50/52/73/569505273.db2.gz	AONUUAGRSKUXBU-UHFFFAOYSA-N	0	0	445.497	2.343	50	5		IEBARN
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1C	ZINC000009223579	569512993	/nfs/dbraw/zinc/51/29/93/569512993.db2.gz	OXCYYPQQTDPEHE-CYBMUJFWSA-N	0	0	445.428	2.261	50	5		IEBARN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cc(OC)c([N+](=O)[O-])cc4C)C(=O)[C@H]23)cc1OC	ZINC000009317994	569522426	/nfs/dbraw/zinc/52/24/26/569522426.db2.gz	OOPNJPKKKFYSNW-IEBWSBKVSA-N	0	0	441.396	2.222	50	5		IEBARN
O=c1cc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)[nH]c(=O)[nH]1	ZINC000009381999	569528165	/nfs/dbraw/zinc/52/81/65/569528165.db2.gz	VWMYLCMHIHTPGQ-UHFFFAOYSA-N	0	0	436.453	2.435	50	5		IEBARN
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2=O	ZINC000009442577	569535610	/nfs/dbraw/zinc/53/56/10/569535610.db2.gz	MLFMUQGWTCHGQX-ODXCJYRJSA-N	0	0	443.416	2.189	50	5		IEBARN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=CC=NN2[C@@H]3C(=O)C(C)(C)C)c(C)cc1[N+](=O)[O-]	ZINC000009460785	569536973	/nfs/dbraw/zinc/53/69/73/569536973.db2.gz	LOVGPOBXAVPMQR-BTPDRXCOSA-N	0	0	440.456	2.241	50	5		IEBARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(=O)n(C)c(=O)n(C)c2N1	ZINC000009489370	569539962	/nfs/dbraw/zinc/53/99/62/569539962.db2.gz	RTFIUWJRAWLIDS-MRXNPFEDSA-N	0	0	428.445	2.023	50	5		IEBARN
O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000009562691	569547354	/nfs/dbraw/zinc/54/73/54/569547354.db2.gz	IUZUTZQQZZKXEE-LJQANCHMSA-N	0	0	430.804	2.417	50	5		IEBARN
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000009592807	569550336	/nfs/dbraw/zinc/55/03/36/569550336.db2.gz	RSGSCJHTJLBEHX-CYBMUJFWSA-N	0	0	435.458	2.338	50	5		IEBARN
O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2	ZINC000009644219	569556049	/nfs/dbraw/zinc/55/60/49/569556049.db2.gz	GAHPEWCVMCIZQJ-UHFFFAOYSA-N	0	0	434.426	2.370	50	5		IEBARN
CSc1ccc(S(=O)(=O)NCC(=O)OCCOc2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000009960086	569575365	/nfs/dbraw/zinc/57/53/65/569575365.db2.gz	GJKQYOKNCAUOAC-UHFFFAOYSA-N	0	0	444.462	2.356	50	5		IEBARN
COc1cc([C@@H]2c3c(-c4ccc([N+](=O)[O-])cc4)n[nH]c(=O)c3Nc3nnnn32)ccc1O	ZINC000010296345	569580572	/nfs/dbraw/zinc/58/05/72/569580572.db2.gz	UMDPFXMWAWLKDJ-QGZVFWFLSA-N	0	0	434.372	2.153	50	5		IEBARN
COc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N3)cc1OC	ZINC000010297151	569580596	/nfs/dbraw/zinc/58/05/96/569580596.db2.gz	HPCBQULGPFFNPK-SFHVURJKSA-N	0	0	448.399	2.456	50	5		IEBARN
COc1ccc(OC)c([C@H]2c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c(=O)c3Nc3nnnn32)c1	ZINC000010296644	569580597	/nfs/dbraw/zinc/58/05/97/569580597.db2.gz	IRQZKKNNNDBJMP-SFHVURJKSA-N	0	0	448.399	2.456	50	5		IEBARN
O=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009519974	132233417	/nfs/dbraw/zinc/23/34/17/132233417.db2.gz	LXFFZBVWZJKQHE-MRXNPFEDSA-N	0	0	427.436	2.371	50	5		IEBARN
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000009909244	132331637	/nfs/dbraw/zinc/33/16/37/132331637.db2.gz	ZENOWAWGISKSCL-INIZCTEOSA-N	0	0	441.488	2.329	50	5		IEBARN
COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	ZINC000009934613	132332016	/nfs/dbraw/zinc/33/20/16/132332016.db2.gz	ULACUWYAFAZGEV-UHFFFAOYSA-N	0	0	426.473	2.402	50	5		IEBARN
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000036726180	519698626	/nfs/dbraw/zinc/69/86/26/519698626.db2.gz	XYMXWQSMQZQCOZ-HXUWFJFHSA-N	0	0	435.484	2.472	50	5		IEBARN
CC(C)CN(C(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC000012642251	519705102	/nfs/dbraw/zinc/70/51/02/519705102.db2.gz	KYFGJTBPYLUNGY-ZDUSSCGKSA-N	0	0	432.882	2.077	50	5		IEBARN
CC(C)CNC(=O)c1ccccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO	ZINC000022356188	519742089	/nfs/dbraw/zinc/74/20/89/519742089.db2.gz	PUJIOIWKHSEWKP-UHFFFAOYSA-N	0	0	429.477	2.435	50	5		IEBARN
CCN(c1ccc(NC(=O)COc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1)C(C)C	ZINC000012523162	521489120	/nfs/dbraw/zinc/48/91/20/521489120.db2.gz	PYPMDMFDCIISJO-UHFFFAOYSA-N	0	0	436.490	2.494	50	5		IEBARN
CCN1CCN(C(=O)[C@H](C)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1	ZINC000012606361	521667868	/nfs/dbraw/zinc/66/78/68/521667868.db2.gz	QUKPLRSXNJQKEO-HNNXBMFYSA-N	0	0	443.470	2.288	50	5		IEBARN
COc1cc(-c2cc(N)n(S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1OC	ZINC000020330760	521894996	/nfs/dbraw/zinc/89/49/96/521894996.db2.gz	UOZIXPFNHNWHDF-UHFFFAOYSA-N	0	0	434.430	2.303	50	5		IEBARN
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1[N+](=O)[O-]	ZINC000012858237	523651370	/nfs/dbraw/zinc/65/13/70/523651370.db2.gz	FJGVCZRSGHGNFX-UHFFFAOYSA-N	0	0	445.906	2.465	50	5		IEBARN
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000012886081	524280310	/nfs/dbraw/zinc/28/03/10/524280310.db2.gz	RUDUXTNFQLVFSN-INIZCTEOSA-N	0	0	432.502	2.069	50	5		IEBARN
C[C@@H](OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(F)c1F	ZINC000021614712	525887812	/nfs/dbraw/zinc/88/78/12/525887812.db2.gz	JZKSOFNCSKJNDF-SECBINFHSA-N	0	0	425.319	2.312	50	5		IEBARN
O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000023107291	526578013	/nfs/dbraw/zinc/57/80/13/526578013.db2.gz	HJUAIDGZWFMSEQ-GOSISDBHSA-N	0	0	434.399	2.001	50	5		IEBARN
O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000012877776	526780027	/nfs/dbraw/zinc/78/00/27/526780027.db2.gz	BVNDQDHDGAPUPK-UHFFFAOYSA-N	0	0	438.893	2.193	50	5		IEBARN
Cn1c(CCN2CCOCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000020519424	527049130	/nfs/dbraw/zinc/04/91/30/527049130.db2.gz	YEQWMULOBRHPMP-UHFFFAOYSA-N	0	0	439.472	2.374	50	5		IEBARN
Cn1cc(-c2nn(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(-c3cnn(C)c3)c2Cl)cn1	ZINC000020636893	527142592	/nfs/dbraw/zinc/14/25/92/527142592.db2.gz	IGCNLSJSRAIELT-UHFFFAOYSA-N	0	0	447.864	2.483	50	5		IEBARN
O=C(Cc1ccc([N+](=O)[O-])cc1)NCCNC(=O)c1nc(-c2ccc(Cl)cc2)no1	ZINC000020457655	527245729	/nfs/dbraw/zinc/24/57/29/527245729.db2.gz	ICJUJJNRKNYMSD-UHFFFAOYSA-N	0	0	429.820	2.387	50	5		IEBARN
O=[N+]([O-])c1cccc(OC[C@H](O)Cn2c3ccccc3nc2C[C@@H]2CCS(=O)(=O)C2)c1	ZINC000012535315	527392197	/nfs/dbraw/zinc/39/21/97/527392197.db2.gz	XCTNYSASHRLSJR-DOTOQJQBSA-N	0	0	445.497	2.362	50	5		IEBARN
O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1	ZINC000032845458	556429403	/nfs/dbraw/zinc/42/94/03/556429403.db2.gz	CKFPBCUKYKAOIL-LJQANCHMSA-N	0	0	432.502	2.366	50	5		IEBARN
CC(C)CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCS(=O)(=O)C1	ZINC000011028958	556444299	/nfs/dbraw/zinc/44/42/99/556444299.db2.gz	XXMAWAVFVOHNSD-ZDUSSCGKSA-N	0	0	432.882	2.077	50	5		IEBARN
COCCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c1nc1ccc(C)cn1c2=O	ZINC000013464944	556506800	/nfs/dbraw/zinc/50/68/00/556506800.db2.gz	XSMMHGYZTKRLRE-UHFFFAOYSA-N	0	0	431.496	2.056	50	5		IEBARN
COc1cc(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC	ZINC000016039542	556578114	/nfs/dbraw/zinc/57/81/14/556578114.db2.gz	QHLDHCHSMTXJKX-LLVKDONJSA-N	0	0	432.385	2.202	50	5		IEBARN
O=C(c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1)N1CC(=O)N(CCc2ccccc2)C(=O)C1	ZINC000072328758	556726457	/nfs/dbraw/zinc/72/64/57/556726457.db2.gz	AVMMKHTYGHZKFW-UHFFFAOYSA-N	0	0	433.424	2.039	50	5		IEBARN
COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1	ZINC000013856784	556746408	/nfs/dbraw/zinc/74/64/08/556746408.db2.gz	NNOACWCVRMXMEA-HNNXBMFYSA-N	0	0	426.381	2.160	50	5		IEBARN
Cc1cc(NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000048302277	557063302	/nfs/dbraw/zinc/06/33/02/557063302.db2.gz	ITJXPKIJUKPCQB-GJZGRUSLSA-N	0	0	435.506	2.211	50	5		IEBARN
CCOCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc([N+](=O)[O-])o1	ZINC000100873571	557196471	/nfs/dbraw/zinc/19/64/71/557196471.db2.gz	YQGOXCBNEGTMIW-ZCXUNETKSA-N	0	0	439.471	2.385	50	5		IEBARN
COCCn1c(=N)c(S(=O)(=O)c2ccc(C)c(C)c2)cc2c1nc1ccccn1c2=O	ZINC000100942190	557203118	/nfs/dbraw/zinc/20/31/18/557203118.db2.gz	QXLJYWTZWXPMBS-UHFFFAOYSA-N	0	0	438.509	2.225	50	5		IEBARN
Cc1cc(NC(=O)CSCC(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])no1	ZINC000011644764	557219179	/nfs/dbraw/zinc/21/91/79/557219179.db2.gz	GYSBWQJXSXAUJX-UHFFFAOYSA-N	0	0	436.446	2.362	50	5		IEBARN
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000011000633	557222331	/nfs/dbraw/zinc/22/23/31/557222331.db2.gz	BEYJRZFLEZNOQO-UHFFFAOYSA-N	0	0	433.486	2.205	50	5		IEBARN
O=C(C1=C2C(O)N(c3cccc(F)c3)C(=O)[C@H]2[C@@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000018066826	557234997	/nfs/dbraw/zinc/23/49/97/557234997.db2.gz	VJMJZTNTJYQAQD-CADBVGFASA-N	0	0	434.383	2.331	50	5		IEBARN
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCc1ccc2c(c1)OCCO2	ZINC000018073565	557235300	/nfs/dbraw/zinc/23/53/00/557235300.db2.gz	CPVBCBKBHBXXLW-UHFFFAOYSA-N	0	0	427.413	2.413	50	5		IEBARN
COc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1[N+](=O)[O-]	ZINC000011001242	557237446	/nfs/dbraw/zinc/23/74/46/557237446.db2.gz	QSNZMIQJFCABRP-UHFFFAOYSA-N	0	0	433.486	2.449	50	5		IEBARN
C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)N(C)CC(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1	ZINC000018247986	557254029	/nfs/dbraw/zinc/25/40/29/557254029.db2.gz	LNDGJBQRSQPZBN-OAHLLOKOSA-N	0	0	448.520	2.361	50	5		IEBARN
C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)N(C)CC(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1	ZINC000018247987	557254052	/nfs/dbraw/zinc/25/40/52/557254052.db2.gz	LNDGJBQRSQPZBN-HNNXBMFYSA-N	0	0	448.520	2.361	50	5		IEBARN
CCOc1cc(C(=O)N2CCN([C@H](C)C(=O)N3CCCCC3)CC2)c([N+](=O)[O-])cc1OC	ZINC000072272104	557267485	/nfs/dbraw/zinc/26/74/85/557267485.db2.gz	KENXDGIWZGAMBY-MRXNPFEDSA-N	0	0	448.520	2.161	50	5		IEBARN
COc1cc(OC)cc(N2C(=O)C[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)c1	ZINC000101351187	557279832	/nfs/dbraw/zinc/27/98/32/557279832.db2.gz	UEIJKRKGRDANRM-FQEVSTJZSA-N	0	0	440.456	2.066	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1	ZINC000014245533	557328124	/nfs/dbraw/zinc/32/81/24/557328124.db2.gz	UPUCUHRHUXEXIO-UHFFFAOYSA-N	0	0	425.488	2.248	50	5		IEBARN
C[C@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000014254804	557329689	/nfs/dbraw/zinc/32/96/89/557329689.db2.gz	WPYRTTJJYBLSBZ-GXTWGEPZSA-N	0	0	426.491	2.083	50	5		IEBARN
COc1cc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)cc1[N+](=O)[O-]	ZINC000014356475	557334500	/nfs/dbraw/zinc/33/45/00/557334500.db2.gz	CUYQQKFVJFXALG-UHFFFAOYSA-N	0	0	442.472	2.397	50	5		IEBARN
COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c([N+](=O)[O-])c1	ZINC000023390375	557352585	/nfs/dbraw/zinc/35/25/85/557352585.db2.gz	HEJOGCLGNPXHIJ-UHFFFAOYSA-N	0	0	438.437	2.281	50	5		IEBARN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cc(OC)c([N+](=O)[O-])cc4C)C(=O)[C@@H]23)cc1OC	ZINC000102561714	557354405	/nfs/dbraw/zinc/35/44/05/557354405.db2.gz	OOPNJPKKKFYSNW-PKOBYXMFSA-N	0	0	441.396	2.222	50	5		IEBARN
COCCNC(=O)CC1=CSC2=NC(C)=C(C(=O)OC)[C@H](c3ccc([N+](=O)[O-])cc3)N12	ZINC000102747206	557378605	/nfs/dbraw/zinc/37/86/05/557378605.db2.gz	AGDAVEJWAWMZNT-SFHVURJKSA-N	0	0	446.485	2.495	50	5		IEBARN
N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1	ZINC000100426213	557403046	/nfs/dbraw/zinc/40/30/46/557403046.db2.gz	MJJTTXVZXGEYOV-KRWDZBQOSA-N	0	0	447.470	2.377	50	5	aggregator	IEBARN
COC[C@H](C)NS(=O)(=O)c1ccc(NCC[C@H]2C(=O)Nc3ccccc32)c([N+](=O)[O-])c1	ZINC000103517962	557438166	/nfs/dbraw/zinc/43/81/66/557438166.db2.gz	GUSJOSHTRREEDO-XJKSGUPXSA-N	0	0	448.501	2.446	50	5		IEBARN
COc1cccc(C2=NO[C@@H]3C(=O)N(c4cc(OC)c([N+](=O)[O-])cc4C)C(O)=C23)c1OC	ZINC000103529729	557438756	/nfs/dbraw/zinc/43/87/56/557438756.db2.gz	QLADUVILBXBRHG-LPHOPBHVSA-N	0	0	441.396	2.222	50	5		IEBARN
O=c1c2cnn(-c3ccc(F)cc3)c2ncn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000025060365	557862212	/nfs/dbraw/zinc/86/22/12/557862212.db2.gz	IVXLHLABTPZNNC-MRXNPFEDSA-N	0	0	425.376	2.069	50	5		IEBARN
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2)C1	ZINC000019025777	568634515	/nfs/dbraw/zinc/63/45/15/568634515.db2.gz	BMUMAMIRAQZAGC-HUUCEWRRSA-N	0	0	448.501	2.062	50	5		IEBARN
Cc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000000941675	568641659	/nfs/dbraw/zinc/64/16/59/568641659.db2.gz	SOVVTKSNHPUNEV-UHFFFAOYSA-N	0	0	431.788	2.335	50	5		IEBARN
COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c(OC)c1	ZINC000001145204	568660955	/nfs/dbraw/zinc/66/09/55/568660955.db2.gz	AHDPGLJEEKXDHN-UHFFFAOYSA-N	0	0	439.446	2.025	50	5		IEBARN
CC(=O)Nc1cccc(Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])c1	ZINC000015166389	568731793	/nfs/dbraw/zinc/73/17/93/568731793.db2.gz	BVOZUZVZZXSLKK-UHFFFAOYSA-N	0	0	434.474	2.282	50	5		IEBARN
O=C(N[C@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1	ZINC000001232936	568758510	/nfs/dbraw/zinc/75/85/10/568758510.db2.gz	KDMNVQIUEKRGIU-GFCCVEGCSA-N	0	0	441.724	2.228	50	5		IEBARN
COCCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C(=O)NCC(C)(C)C)cc1OC	ZINC000084169851	568795466	/nfs/dbraw/zinc/79/54/66/568795466.db2.gz	WTNGAMRLADLYAD-UHFFFAOYSA-N	0	0	425.482	2.299	50	5		IEBARN
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1	ZINC000002058847	568940937	/nfs/dbraw/zinc/94/09/37/568940937.db2.gz	PXWRDNPUUVLOCF-XBNGYDHASA-N	0	0	441.490	2.378	50	5		IEBARN
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000089807687	569165122	/nfs/dbraw/zinc/16/51/22/569165122.db2.gz	RNBHJRJCRIPTMH-YOEHRIQHSA-N	0	0	442.472	2.285	50	5		IEBARN
COCC(=O)Oc1c(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)nn1-c1ccccc1	ZINC000016976861	569168904	/nfs/dbraw/zinc/16/89/04/569168904.db2.gz	SIEBEYXYKXRIOF-UHFFFAOYSA-N	0	0	431.426	2.474	50	5		IEBARN
O=C(NC1CCN(c2ccccc2C(=O)N2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000037525581	569198876	/nfs/dbraw/zinc/19/88/76/569198876.db2.gz	CKIFWUGWDQSTFJ-UHFFFAOYSA-N	0	0	438.484	2.466	50	5		IEBARN
COC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000252674765	569210303	/nfs/dbraw/zinc/21/03/03/569210303.db2.gz	SMLFIGCFFGPMEB-LJQANCHMSA-N	0	0	435.461	2.316	50	5		IEBARN
COCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000253427551	569267343	/nfs/dbraw/zinc/26/73/43/569267343.db2.gz	NFDPPRBPIYJBGJ-SFHVURJKSA-N	0	0	432.458	2.290	50	5		IEBARN
COCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000225516935	569305512	/nfs/dbraw/zinc/30/55/12/569305512.db2.gz	JDWVLORLUVQXKL-GOSISDBHSA-N	0	0	432.458	2.290	50	5		IEBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCO	ZINC000013129757	569311238	/nfs/dbraw/zinc/31/12/38/569311238.db2.gz	ZUJWMQAWAGMQLT-GFCCVEGCSA-N	0	0	444.469	2.425	50	5		IEBARN
CCNC(=O)CN(CC)c1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-]	ZINC000078705881	569318290	/nfs/dbraw/zinc/31/82/90/569318290.db2.gz	XKAVJTFYXZRPBO-UHFFFAOYSA-N	0	0	426.539	2.414	50	5		IEBARN
Cc1nc2n(c1CN1CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC1)CCCC2	ZINC000095467518	569371080	/nfs/dbraw/zinc/37/10/80/569371080.db2.gz	JTFWRNJHPFSOQH-UHFFFAOYSA-N	0	0	433.534	2.162	50	5		IEBARN
CCOc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H](N2CCN(Cc3ccccc3)CC2)C1=O	ZINC000096006242	569379059	/nfs/dbraw/zinc/37/90/59/569379059.db2.gz	ZNCADYDJTPAMNU-FQEVSTJZSA-N	0	0	438.484	2.443	50	5		IEBARN
Cn1nc(C(=O)NC2CC2)cc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C	ZINC000096203476	569386308	/nfs/dbraw/zinc/38/63/08/569386308.db2.gz	AIDQEDDUZOTGOY-UHFFFAOYSA-N	0	0	437.478	2.090	50	5		IEBARN
CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C	ZINC000002658978	569415783	/nfs/dbraw/zinc/41/57/83/569415783.db2.gz	JDKUIBQCDMLNEZ-UHFFFAOYSA-N	0	0	441.396	2.155	50	5		IEBARN
COCCn1c(Cc2cccn2C)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000002713848	569417573	/nfs/dbraw/zinc/41/75/73/569417573.db2.gz	IHQXEJWPTSAAII-UHFFFAOYSA-N	0	0	430.490	2.493	50	5		IEBARN
C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	ZINC000029939669	569439749	/nfs/dbraw/zinc/43/97/49/569439749.db2.gz	XYOVNMRFBGIYJL-AWEZNQCLSA-N	0	0	441.531	2.145	50	5		IEBARN
O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000058007883	569444744	/nfs/dbraw/zinc/44/47/44/569444744.db2.gz	KXRMMDKGMVWKTE-UHFFFAOYSA-N	0	0	447.451	2.395	50	5		IEBARN
COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2N)cc1	ZINC000058047313	569445934	/nfs/dbraw/zinc/44/59/34/569445934.db2.gz	KXJITPWDMPGNPE-UHFFFAOYSA-N	0	0	432.414	2.147	50	5		IEBARN
COC(=O)C[C@H](c1ccccc1[N+](=O)[O-])c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O	ZINC000604418849	569448397	/nfs/dbraw/zinc/44/83/97/569448397.db2.gz	KLQZMQNNIWSKTP-MRXNPFEDSA-N	0	0	426.429	2.431	50	5		IEBARN
CCOC(=O)c1c(C)oc2ncn(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)c(=O)c21	ZINC000031847221	569458133	/nfs/dbraw/zinc/45/81/33/569458133.db2.gz	SMUXNJSUSFDUST-UHFFFAOYSA-N	0	0	425.357	2.481	50	5		IEBARN
Cc1nonc1OCC(C)(COc1nonc1C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000008442578	569464426	/nfs/dbraw/zinc/46/44/26/569464426.db2.gz	RWHOSZHJYNWBOD-UHFFFAOYSA-N	0	0	435.353	2.214	50	5		IEBARN
O=C(OC[C@H]1CN(Cc2ccccc2)CCO1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000068885895	569482439	/nfs/dbraw/zinc/48/24/39/569482439.db2.gz	BUEUZWAXSDFWOO-HXUWFJFHSA-N	0	0	441.484	2.489	50	5		IEBARN
COc1cc(CCNC(=O)CCn2cnc3c(C)cccc3c2=O)c([N+](=O)[O-])cc1OC	ZINC000040015867	569482574	/nfs/dbraw/zinc/48/25/74/569482574.db2.gz	PZHLYQSKDOWLIV-UHFFFAOYSA-N	0	0	440.456	2.379	50	5		IEBARN
COc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1[N+](=O)[O-]	ZINC000008943271	569488735	/nfs/dbraw/zinc/48/87/35/569488735.db2.gz	DFFWJFMBDSEGIS-UHFFFAOYSA-N	0	0	439.421	2.016	50	5		IEBARN
C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)C1	ZINC000040153052	569493575	/nfs/dbraw/zinc/49/35/75/569493575.db2.gz	BSXWCVYRGMLYAO-HOTGVXAUSA-N	0	0	427.505	2.338	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1sc2[nH]c(C)nc(=O)c2c1C	ZINC000009245158	569515199	/nfs/dbraw/zinc/51/51/99/569515199.db2.gz	CAIOPRORXPDYTI-UHFFFAOYSA-N	0	0	432.414	2.314	50	5		IEBARN
C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)NC(=O)c1cccn1C	ZINC000009283385	569518841	/nfs/dbraw/zinc/51/88/41/569518841.db2.gz	RMVVVGNHCPDGKC-JTQLQIEISA-N	0	0	442.350	2.252	50	5		IEBARN
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12	ZINC000009312190	569521834	/nfs/dbraw/zinc/52/18/34/569521834.db2.gz	MESZIFLUINCVJA-WTGUMLROSA-N	0	0	449.419	2.292	50	5		IEBARN
CCOC(=O)c1sc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)nc1C	ZINC000009384152	569528371	/nfs/dbraw/zinc/52/83/71/569528371.db2.gz	UZUUJWVMLJCYOE-UHFFFAOYSA-N	0	0	432.414	2.161	50	5		IEBARN
Cc1cc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c([N+](=O)[O-])cc1C	ZINC000009597123	569550872	/nfs/dbraw/zinc/55/08/72/569550872.db2.gz	JEAHXEAOYARURM-UHFFFAOYSA-N	0	0	435.458	2.257	50	5		IEBARN
CCOc1ccc(CCNC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1OCC	ZINC000009634020	569554401	/nfs/dbraw/zinc/55/44/01/569554401.db2.gz	RPIMUQPCSGYNKK-UHFFFAOYSA-N	0	0	440.456	2.461	50	5		IEBARN
COc1cc(C(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)c([N+](=O)[O-])cc1OC	ZINC000009844150	569570884	/nfs/dbraw/zinc/57/08/84/569570884.db2.gz	YITHTLJAQPILHO-UHFFFAOYSA-N	0	0	442.403	2.405	50	5		IEBARN
COc1ccc(CCOC(=O)CNS(=O)(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1	ZINC000009962209	569575630	/nfs/dbraw/zinc/57/56/30/569575630.db2.gz	SPIRYLZVSKYBAZ-UHFFFAOYSA-N	0	0	440.499	2.390	50	5		IEBARN
O=C(OCc1cc(=O)oc2ccc3ccccc3c12)C1=CC=CN2CCS(=O)(=O)N=C12	ZINC000009962658	569575672	/nfs/dbraw/zinc/57/56/72/569575672.db2.gz	GXGCDKASUFEFSV-UHFFFAOYSA-N	0	0	436.445	2.487	50	5		IEBARN
CCOc1ccc(CCNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1OCC	ZINC000010021478	569577175	/nfs/dbraw/zinc/57/71/75/569577175.db2.gz	USHFQTNSCXPFTH-UHFFFAOYSA-N	0	0	441.440	2.347	50	5		IEBARN
O=C(CS(=O)(=O)c1ccccc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1	ZINC000010166310	569578230	/nfs/dbraw/zinc/57/82/30/569578230.db2.gz	MUIWSONWHAHTPM-UHFFFAOYSA-N	0	0	446.510	2.327	50	5		IEBARN
CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1	ZINC000009526124	132320217	/nfs/dbraw/zinc/32/02/17/132320217.db2.gz	AXMRDMCPHVTJJU-UHFFFAOYSA-N	0	0	427.486	2.390	50	5		IEBARN
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C	ZINC000009562667	132321686	/nfs/dbraw/zinc/32/16/86/132321686.db2.gz	XDLSGHISOXGBFD-UHFFFAOYSA-N	0	0	446.529	2.229	50	5		IEBARN
CN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)[C@H](c2ccccc2)C1	ZINC000009586915	132322414	/nfs/dbraw/zinc/32/24/14/132322414.db2.gz	FCDLFFWXCLOKND-FQEVSTJZSA-N	0	0	446.529	2.109	50	5		IEBARN
Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1	ZINC000009601703	132323039	/nfs/dbraw/zinc/32/30/39/132323039.db2.gz	OCSHZEOHKHLLEZ-UHFFFAOYSA-N	0	0	446.529	2.251	50	5		IEBARN
CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)c3ccco3)C[C@H]12	ZINC000035894693	519739955	/nfs/dbraw/zinc/73/99/55/519739955.db2.gz	AVQHRKPFTAKJFW-IEBWSBKVSA-N	0	0	426.473	2.463	50	5		IEBARN
CCNc1cc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)ccc1[N+](=O)[O-]	ZINC000009891969	520274126	/nfs/dbraw/zinc/27/41/26/520274126.db2.gz	SDXKWYHNJZFWMI-UHFFFAOYSA-N	0	0	447.517	2.496	50	5		IEBARN
CCCn1ccn(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1=S	ZINC000012779274	521658869	/nfs/dbraw/zinc/65/88/69/521658869.db2.gz	DAQLLJLDKHBXAR-UHFFFAOYSA-N	0	0	425.536	2.301	50	5		IEBARN
COCCn1c(=O)c2c(ncn2Cc2cccc([N+](=O)[O-])c2)n(-c2ccc(F)cc2)c1=O	ZINC000034694136	522056006	/nfs/dbraw/zinc/05/60/06/522056006.db2.gz	MBGFSRQSVYTNNP-UHFFFAOYSA-N	0	0	439.403	2.091	50	5		IEBARN
COc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1	ZINC000012554871	524011375	/nfs/dbraw/zinc/01/13/75/524011375.db2.gz	WETGTPLZDIAHAF-UHFFFAOYSA-N	0	0	434.518	2.176	50	5		IEBARN
Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1[N+](=O)[O-]	ZINC000023885591	524196993	/nfs/dbraw/zinc/19/69/93/524196993.db2.gz	DZGKEHXPYYRVHB-ZDUSSCGKSA-N	0	0	435.458	2.338	50	5		IEBARN
Cc1cccc(C)c1NC(=O)CNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O	ZINC000012757664	524281165	/nfs/dbraw/zinc/28/11/65/524281165.db2.gz	WEGWZUCTAKUHEW-UHFFFAOYSA-N	0	0	435.440	2.434	50	5		IEBARN
COc1ccc(OCC(=O)N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4n3C)CC2)cc1	ZINC000020517660	524929805	/nfs/dbraw/zinc/92/98/05/524929805.db2.gz	ZFXPTVMUALDCEN-UHFFFAOYSA-N	0	0	439.472	2.213	50	5		IEBARN
COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1[N+](=O)[O-]	ZINC000012814431	525037128	/nfs/dbraw/zinc/03/71/28/525037128.db2.gz	DCYYHASSXFONIB-UHFFFAOYSA-N	0	0	433.486	2.045	50	5		IEBARN
Cc1cc(NC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c([N+](=O)[O-])cc1C	ZINC000012885950	525140603	/nfs/dbraw/zinc/14/06/03/525140603.db2.gz	CBHATQNCKSGCSW-UHFFFAOYSA-N	0	0	446.529	2.298	50	5		IEBARN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@@H](C(=O)Nc3ccccc3)[C@H]2C1=O	ZINC000253486905	525565312	/nfs/dbraw/zinc/56/53/12/525565312.db2.gz	AWYOOIYUHHQJBN-LWYYNNOASA-N	0	0	445.435	2.256	50	5		IEBARN
Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2N)cc1	ZINC000017051167	525637304	/nfs/dbraw/zinc/63/73/04/525637304.db2.gz	MMEJPPFBJDAEKF-UHFFFAOYSA-N	0	0	447.385	2.046	50	5		IEBARN
C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000012796409	525886430	/nfs/dbraw/zinc/88/64/30/525886430.db2.gz	IJVDAFHWQGJMMF-AUZPSNTRSA-N	0	0	449.847	2.458	50	5		IEBARN
Cc1ccc(C(=O)NCC(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000012601969	526154808	/nfs/dbraw/zinc/15/48/08/526154808.db2.gz	POJFCPCQEVPUBT-IBGZPJMESA-N	0	0	425.420	2.411	50	5		IEBARN
C[C@H](C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O	ZINC000012796392	526188677	/nfs/dbraw/zinc/18/86/77/526188677.db2.gz	IJVDAFHWQGJMMF-WVWOOGAGSA-N	0	0	449.847	2.458	50	5		IEBARN
Cc1nnc(-c2cccc(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2)o1	ZINC000020853449	526321018	/nfs/dbraw/zinc/32/10/18/526321018.db2.gz	CHEGGOPZDKDIPQ-UHFFFAOYSA-N	0	0	429.458	2.464	50	5		IEBARN
O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000012643303	526419947	/nfs/dbraw/zinc/41/99/47/526419947.db2.gz	GDJDKCUEILJPSK-UHFFFAOYSA-N	0	0	426.429	2.322	50	5		IEBARN
O=C(CCNS(=O)(=O)c1ccccc1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000021606629	526513537	/nfs/dbraw/zinc/51/35/37/526513537.db2.gz	CDTPZNOYAXEQIA-UHFFFAOYSA-N	0	0	432.414	2.057	50	5		IEBARN
O=C(CSc1nnnn1-c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000022066587	527093922	/nfs/dbraw/zinc/09/39/22/527093922.db2.gz	GQDPCBSXNSPDFW-UHFFFAOYSA-N	0	0	425.474	2.011	50	5		IEBARN
Cn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c2ccccc21	ZINC000012590812	527160105	/nfs/dbraw/zinc/16/01/05/527160105.db2.gz	BHHAIVRFZQMMTP-UHFFFAOYSA-N	0	0	428.470	2.233	50	5		IEBARN
O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2c3ccccc3nc2C[C@@H]2CCS(=O)(=O)C2)c1	ZINC000012535316	527391158	/nfs/dbraw/zinc/39/11/58/527391158.db2.gz	XCTNYSASHRLSJR-RDJZCZTQSA-N	0	0	445.497	2.362	50	5		IEBARN
O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(=O)c(Cc3ccccc3Cl)nn12	ZINC000001864895	527433350	/nfs/dbraw/zinc/43/33/50/527433350.db2.gz	LEAUVYKXOVFXBK-SXGWCWSVSA-N	0	0	426.841	2.211	50	5		IEBARN
Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1[N+](=O)[O-]	ZINC000012521576	527468771	/nfs/dbraw/zinc/46/87/71/527468771.db2.gz	ATZPPRVTTOYCEU-UHFFFAOYSA-N	0	0	430.895	2.039	50	5		IEBARN
Nn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)nnc1C(F)(F)F	ZINC000016035495	527583623	/nfs/dbraw/zinc/58/36/23/527583623.db2.gz	IXTSQWHILNKBIL-UHFFFAOYSA-N	0	0	441.189	2.412	50	5		IEBARN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)NCc1ccccc1CN1CCOCC1	ZINC000021838846	527619817	/nfs/dbraw/zinc/61/98/17/527619817.db2.gz	WYYIACKSXQVINK-JXMROGBWSA-N	0	0	439.468	2.300	50	5		IEBARN
COCCn1c(=O)c2c(ncn2Cc2cccc([N+](=O)[O-])c2)n(-c2cccc(F)c2)c1=O	ZINC000034694039	555809229	/nfs/dbraw/zinc/80/92/29/555809229.db2.gz	HZCGDMGTNBDUIK-UHFFFAOYSA-N	0	0	439.403	2.091	50	5		IEBARN
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1	ZINC000032900094	556531893	/nfs/dbraw/zinc/53/18/93/556531893.db2.gz	QDXMLXGWKPSOJD-UHFFFAOYSA-N	0	0	437.382	2.439	50	5		IEBARN
Cc1cccn2c1nc1c(cc(C(=O)N[C@H](C)c3ccccc3)c(=N)n1CCCO)c2=O	ZINC000100630570	556636770	/nfs/dbraw/zinc/63/67/70/556636770.db2.gz	ZRMGLJQVPMSBPO-MRXNPFEDSA-N	0	0	431.496	2.310	50	5		IEBARN
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCCN21	ZINC000247940150	556646175	/nfs/dbraw/zinc/64/61/75/556646175.db2.gz	ICBKIPGVFKUTRG-GKAYAJSDSA-N	0	0	448.435	2.035	50	5		IEBARN
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-]	ZINC000247971028	556650914	/nfs/dbraw/zinc/65/09/14/556650914.db2.gz	ALIWSXFLFIJKHK-YIKPNSEUSA-N	0	0	432.436	2.334	50	5		IEBARN
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1)[C@H]1CC1[N+](=O)[O-]	ZINC000032932149	556677141	/nfs/dbraw/zinc/67/71/41/556677141.db2.gz	CNPHIWWEWJXFDM-FUHWJXTLSA-N	0	0	447.469	2.104	50	5		IEBARN
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCC[C@H]1O	ZINC000013575020	556698226	/nfs/dbraw/zinc/69/82/26/556698226.db2.gz	BYTZXBUMAKHHJI-RTBURBONSA-N	0	0	433.486	2.210	50	5		IEBARN
COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-]	ZINC000003272224	556807839	/nfs/dbraw/zinc/80/78/39/556807839.db2.gz	KSPSOQFPNLLYPH-UHFFFAOYSA-N	0	0	435.820	2.477	50	5		IEBARN
O=C(c1ccn(COc2ccccc2[N+](=O)[O-])n1)N1NC(C(F)F)=C[C@]1(O)C(F)F	ZINC000013960017	557009115	/nfs/dbraw/zinc/00/91/15/557009115.db2.gz	QFWZALJANXGKRD-INIZCTEOSA-N	0	0	431.302	2.249	50	5		IEBARN
O=C(c1ccccc1)c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c([N+](=O)[O-])c1	ZINC000017283005	557045045	/nfs/dbraw/zinc/04/50/45/557045045.db2.gz	MELXHFSJYBDVMN-SFHVURJKSA-N	0	0	429.498	2.135	50	5		IEBARN
O=C(Nc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1)[C@@H]1CCCO1	ZINC000048237831	557048002	/nfs/dbraw/zinc/04/80/02/557048002.db2.gz	UZUBHKMORFROHC-SFHVURJKSA-N	0	0	440.460	2.461	50	5		IEBARN
O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000048366693	557075305	/nfs/dbraw/zinc/07/53/05/557075305.db2.gz	JNZCJLAHLYXGNC-UHFFFAOYSA-N	0	0	432.824	2.328	50	5		IEBARN
C[C@H](C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000024829081	557165476	/nfs/dbraw/zinc/16/54/76/557165476.db2.gz	XGIBTMSAJAHGRF-KZULUSFZSA-N	0	0	437.408	2.142	50	5		IEBARN
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000024830367	557165810	/nfs/dbraw/zinc/16/58/10/557165810.db2.gz	UAVGIZSABKGVRU-UHFFFAOYSA-N	0	0	445.906	2.261	50	5		IEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1c(F)cccc1F	ZINC000100820815	557186606	/nfs/dbraw/zinc/18/66/06/557186606.db2.gz	MRRJRGKSONFNIU-XHPQRKPJSA-N	0	0	438.390	2.382	50	5		IEBARN
CC(=O)OCCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c1nc1ccccn1c2=O	ZINC000100894022	557199040	/nfs/dbraw/zinc/19/90/40/557199040.db2.gz	UAROCFRLQPBLSH-UHFFFAOYSA-N	0	0	437.500	2.144	50	5		IEBARN
COCCn1c(=N)c(C(=O)NCc2ccccc2Cl)cc2c1nc1ccccn1c2=O	ZINC000101096155	557254380	/nfs/dbraw/zinc/25/43/80/557254380.db2.gz	TXCPGSBDOUMZGY-UHFFFAOYSA-N	0	0	437.887	2.358	50	5		IEBARN
COCCCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c1nc1ccccn1c2=O	ZINC000100628025	557266672	/nfs/dbraw/zinc/26/66/72/557266672.db2.gz	CSRZHFQVBOFVQF-UHFFFAOYSA-N	0	0	431.496	2.138	50	5		IEBARN
Cc1ccc(Cn2c(=N)c(C(=O)NC[C@@H]3CCCO3)cc3c2nc2ccccn2c3=O)cc1	ZINC000100631379	557266954	/nfs/dbraw/zinc/26/69/54/557266954.db2.gz	BRLHDBQJAXKNDL-SFHVURJKSA-N	0	0	443.507	2.394	50	5		IEBARN
CCOc1cc(C(=O)N2CCN([C@@H](C)C(=O)N3CCCCC3)CC2)c([N+](=O)[O-])cc1OC	ZINC000072272103	557267555	/nfs/dbraw/zinc/26/75/55/557267555.db2.gz	KENXDGIWZGAMBY-INIZCTEOSA-N	0	0	448.520	2.161	50	5		IEBARN
COCCCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c1nc1ccccn1c2=O	ZINC000101077754	557282312	/nfs/dbraw/zinc/28/23/12/557282312.db2.gz	QWTKFRYIHKRZEY-UHFFFAOYSA-N	0	0	447.495	2.104	50	5		IEBARN
C[C@@H]1CCC[C@H](NC(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1C	ZINC000103491853	557437860	/nfs/dbraw/zinc/43/78/60/557437860.db2.gz	NFYMSMHEPRLKFT-IPYPFGDCSA-N	0	0	431.445	2.065	50	5		IEBARN
O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000103534040	557437904	/nfs/dbraw/zinc/43/79/04/557437904.db2.gz	HVJQWXQIMMIKCN-OKYOBFRVSA-N	0	0	434.383	2.331	50	5		IEBARN
COC[C@@H](C)NS(=O)(=O)c1ccc(NCC[C@H]2C(=O)Nc3ccccc32)c([N+](=O)[O-])c1	ZINC000103517965	557438413	/nfs/dbraw/zinc/43/84/13/557438413.db2.gz	GUSJOSHTRREEDO-CZUORRHYSA-N	0	0	448.501	2.446	50	5		IEBARN
O=C(NCCn1ncc2c1ncn(Cc1cccc([N+](=O)[O-])c1)c2=O)c1ccc(F)cc1	ZINC000012071847	557526797	/nfs/dbraw/zinc/52/67/97/557526797.db2.gz	ZSAADLCLIOHVRB-UHFFFAOYSA-N	0	0	436.403	2.119	50	5		IEBARN
O=C1CN(CCCO)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc([N+](=O)[O-])c3)N12	ZINC000002096351	562925748	/nfs/dbraw/zinc/92/57/48/562925748.db2.gz	KFHUICCRGOQGNG-SIKLNZKXSA-N	0	0	434.452	2.143	50	5	biogenic	IEBARN
CN(CCCC(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000002862823	562930286	/nfs/dbraw/zinc/93/02/86/562930286.db2.gz	BGYOMJKCHLXZLC-UHFFFAOYSA-N	0	0	435.458	2.041	50	5		IEBARN
COc1ccccc1C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2	ZINC000003009136	562931583	/nfs/dbraw/zinc/93/15/83/562931583.db2.gz	QUCDOCGTKDVPFO-UHFFFAOYSA-N	0	0	428.426	2.470	50	5		IEBARN
COC(=O)c1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc([N+](=O)[O-])c1	ZINC000003345829	562934518	/nfs/dbraw/zinc/93/45/18/562934518.db2.gz	ODAQMQLGCOBTGL-UHFFFAOYSA-N	0	0	441.396	2.302	50	5		IEBARN
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c([N+](=O)[O-])n1	ZINC000006094696	562946225	/nfs/dbraw/zinc/94/62/25/562946225.db2.gz	MTSZRWVMQUWJKR-UHFFFAOYSA-N	0	0	434.474	2.490	50	5		IEBARN
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CCN1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000008925722	562966139	/nfs/dbraw/zinc/96/61/39/562966139.db2.gz	OPDDWGLLAKNNEI-IBGZPJMESA-N	0	0	440.456	2.231	50	5		IEBARN
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000009508906	562972595	/nfs/dbraw/zinc/97/25/95/562972595.db2.gz	VLXPKDKGHFLYON-UHFFFAOYSA-N	0	0	448.501	2.384	50	5		IEBARN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCc2ccccc2[C@@H]1CNC(=O)C1CCCCC1	ZINC000001022366	568652928	/nfs/dbraw/zinc/65/29/28/568652928.db2.gz	DAEBLOFIIVIRPM-SFHVURJKSA-N	0	0	426.477	2.009	50	5		IEBARN
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000052533859	568658654	/nfs/dbraw/zinc/65/86/54/568658654.db2.gz	NCVPMVROJCJXLT-SFHVURJKSA-N	0	0	427.417	2.415	50	5		IEBARN
CN1CCN(c2nc3c(c(N4CCCC4)n2)CN(Cc2cccc([N+](=O)[O-])c2)CC3)CC1	ZINC000034755407	568737947	/nfs/dbraw/zinc/73/79/47/568737947.db2.gz	DGPQPAVUXWJJTP-UHFFFAOYSA-N	0	0	437.548	2.295	50	5		IEBARN
CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(-c4nnco4)cc3)c([N+](=O)[O-])c2)CC1	ZINC000034859760	568738578	/nfs/dbraw/zinc/73/85/78/568738578.db2.gz	FLZMSFLKXPRSJV-UHFFFAOYSA-N	0	0	445.457	2.373	50	5		IEBARN
CCOC(=O)c1nnn2c1sc1c(C(=O)OCC)nnn1c1cc(OCC)ccc12	ZINC000003772547	568754634	/nfs/dbraw/zinc/75/46/34/568754634.db2.gz	ANIQPFCUIGXMKX-UHFFFAOYSA-N	0	0	430.446	2.301	50	5		IEBARN
N=c1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1	ZINC000100627368	568838799	/nfs/dbraw/zinc/83/87/99/568838799.db2.gz	RPBCPSYFNQCJEU-KRWDZBQOSA-N	0	0	429.480	2.238	50	5		IEBARN
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)c1	ZINC000015882332	568856371	/nfs/dbraw/zinc/85/63/71/568856371.db2.gz	TXKKQMGNVMBJKR-UHFFFAOYSA-N	0	0	446.533	2.276	50	5		IEBARN
CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000026537762	568880072	/nfs/dbraw/zinc/88/00/72/568880072.db2.gz	SJROOONPNIXYSV-KRWDZBQOSA-N	0	0	446.895	2.141	50	5		IEBARN
COc1cc(/C=c2/sc3nc(-c4cccc([N+](=O)[O-])c4)nn3c2=O)ccc1OC(C)=O	ZINC000001763273	568905360	/nfs/dbraw/zinc/90/53/60/568905360.db2.gz	JNEMDZOLIGFRFH-RQZCQDPDSA-N	0	0	438.421	2.208	50	5		IEBARN
Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000016564958	568922042	/nfs/dbraw/zinc/92/20/42/568922042.db2.gz	FDUSPOCMPASMNU-SFHVURJKSA-N	0	0	439.516	2.477	50	5		IEBARN
CNS(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccc(O)cc3)CC2)c([N+](=O)[O-])c1	ZINC000089395803	568922326	/nfs/dbraw/zinc/92/23/26/568922326.db2.gz	BXVYOWLRACNDMI-UHFFFAOYSA-N	0	0	434.474	2.064	50	5		IEBARN
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000002030959	568936628	/nfs/dbraw/zinc/93/66/28/568936628.db2.gz	XZBLGTCQFLHWJJ-UHFFFAOYSA-N	0	0	438.352	2.175	50	5		IEBARN
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)[NH+]3CCC(C(N)=O)CC3)c([O-])n2n1	ZINC000036673284	569132136	/nfs/dbraw/zinc/13/21/36/569132136.db2.gz	BTBKSDKNQKCVPL-OAHLLOKOSA-N	0	0	430.490	2.254	50	5		IEBARN
O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1	ZINC000036709506	569136340	/nfs/dbraw/zinc/13/63/40/569136340.db2.gz	LQXVKGTWTISRTL-UHFFFAOYSA-N	0	0	439.453	2.461	50	5		IEBARN
O=[N+]([O-])c1ccc(N[C@H](CO)c2cccc(Cl)c2)c(S(=O)(=O)N2CCOCC2)c1	ZINC000170633621	569173340	/nfs/dbraw/zinc/17/33/40/569173340.db2.gz	WKQUYIKMLNJECE-QGZVFWFLSA-N	0	0	441.893	2.415	50	5		IEBARN
COCCNC(=O)[C@H]1CCCN(C(=O)c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)C1	ZINC000037425892	569195660	/nfs/dbraw/zinc/19/56/60/569195660.db2.gz	GJRIZOUKDBVLGS-ZDUSSCGKSA-N	0	0	433.490	2.410	50	5		IEBARN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3C=CC=NN3[C@@H](C(=O)Nc3ccccc3)[C@H]2C1=O	ZINC000253486903	569283053	/nfs/dbraw/zinc/28/30/53/569283053.db2.gz	AWYOOIYUHHQJBN-FUMNGEBKSA-N	0	0	445.435	2.256	50	5		IEBARN
O=C(C1=C2C(O)N(c3cccc(F)c3)C(=O)[C@H]2[C@@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000253488002	569283162	/nfs/dbraw/zinc/28/31/62/569283162.db2.gz	VJMJZTNTJYQAQD-OKYOBFRVSA-N	0	0	434.383	2.331	50	5		IEBARN
COc1ccc(C(=O)N[C@H](CO)c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1	ZINC000018201318	569287945	/nfs/dbraw/zinc/28/79/45/569287945.db2.gz	QRTAKQNYFHWFNM-QGZVFWFLSA-N	0	0	443.485	2.488	50	5		IEBARN
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000008927511	569292457	/nfs/dbraw/zinc/29/24/57/569292457.db2.gz	WETHEMQCCBYNKC-AWEZNQCLSA-N	0	0	445.815	2.168	50	5		IEBARN
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)c1cccc([N+](=O)[O-])c1	ZINC000008927442	569292466	/nfs/dbraw/zinc/29/24/66/569292466.db2.gz	HVAYCYQNNZPGAD-ZDUSSCGKSA-N	0	0	445.815	2.168	50	5		IEBARN
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000009226709	569294581	/nfs/dbraw/zinc/29/45/81/569294581.db2.gz	RDZGIKJWJSKLIR-CQSZACIVSA-N	0	0	435.458	2.022	50	5		IEBARN
COC(=O)c1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc([N+](=O)[O-])c1	ZINC000019831341	569330188	/nfs/dbraw/zinc/33/01/88/569330188.db2.gz	VUFPBMNDSXDLIM-UHFFFAOYSA-N	0	0	427.413	2.068	50	5		IEBARN
CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1	ZINC000019889973	569331645	/nfs/dbraw/zinc/33/16/45/569331645.db2.gz	SYZABLXDFQEWSA-HXUWFJFHSA-N	0	0	437.456	2.007	50	5		IEBARN
O=C(NCCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1ccc(Cl)cc1	ZINC000095481277	569374071	/nfs/dbraw/zinc/37/40/71/569374071.db2.gz	FWCPHXHJVGLDMW-UHFFFAOYSA-N	0	0	445.907	2.121	50	5		IEBARN
Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1	ZINC000002662128	569416306	/nfs/dbraw/zinc/41/63/06/569416306.db2.gz	IFVKNCAEFQKVHV-UHFFFAOYSA-N	0	0	436.442	2.134	50	5		IEBARN
O=C(COc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000002734456	569418992	/nfs/dbraw/zinc/41/89/92/569418992.db2.gz	VEUJGENXVAANLU-UHFFFAOYSA-N	0	0	439.877	2.160	50	5		IEBARN
O=C(Nc1ccc(I)cc1)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1	ZINC000002797098	569421729	/nfs/dbraw/zinc/42/17/29/569421729.db2.gz	MLHNWTUBKGZQLI-UHFFFAOYSA-N	0	0	438.185	2.351	50	5		IEBARN
Cc1nn(CCc2nc3c4c(C)c(C(=O)N(C)C)sc4ncn3n2)c(C)c1[N+](=O)[O-]	ZINC000002791645	569421823	/nfs/dbraw/zinc/42/18/23/569421823.db2.gz	KNKXCMYDATZEDK-UHFFFAOYSA-N	0	0	428.478	2.313	50	5		IEBARN
CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)cc1	ZINC000002795528	569422108	/nfs/dbraw/zinc/42/21/08/569422108.db2.gz	PBGOQVIQSBLKKM-UHFFFAOYSA-N	0	0	429.458	2.308	50	5		IEBARN
CCOC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000002871428	569423716	/nfs/dbraw/zinc/42/37/16/569423716.db2.gz	ZTBSXRKQIXLYFX-ZWNOBZJWSA-N	0	0	447.469	2.164	50	5		IEBARN
CCOC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000002871427	569423738	/nfs/dbraw/zinc/42/37/38/569423738.db2.gz	ZTBSXRKQIXLYFX-MFKMUULPSA-N	0	0	447.469	2.164	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccc1Cl)S(C)(=O)=O	ZINC000002877028	569423816	/nfs/dbraw/zinc/42/38/16/569423816.db2.gz	MCGYZJZLEFQHCI-UHFFFAOYSA-N	0	0	427.866	2.339	50	5		IEBARN
O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000227213670	569431852	/nfs/dbraw/zinc/43/18/52/569431852.db2.gz	GJLVQDBLKIAINU-SUWCGCSTSA-N	0	0	436.399	2.165	50	5		IEBARN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	ZINC000003064993	569439592	/nfs/dbraw/zinc/43/95/92/569439592.db2.gz	WBMJXLVGHJFBPM-UHFFFAOYSA-N	0	0	438.352	2.175	50	5		IEBARN
C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	ZINC000029939671	569439684	/nfs/dbraw/zinc/43/96/84/569439684.db2.gz	XYOVNMRFBGIYJL-CQSZACIVSA-N	0	0	441.531	2.145	50	5		IEBARN
O=C(CN1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCCC1	ZINC000029966353	569439869	/nfs/dbraw/zinc/43/98/69/569439869.db2.gz	HARAEUSRXCIMHC-UHFFFAOYSA-N	0	0	431.371	2.266	50	5		IEBARN
Cn1cnnc1Sc1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1[N+](=O)[O-]	ZINC000003245315	569442736	/nfs/dbraw/zinc/44/27/36/569442736.db2.gz	VZLCEEKNFWYHCB-UHFFFAOYSA-N	0	0	427.442	2.348	50	5		IEBARN
CCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC1	ZINC000058416474	569454300	/nfs/dbraw/zinc/45/43/00/569454300.db2.gz	GFZROIHCVBNSBF-UHFFFAOYSA-N	0	0	431.230	2.188	50	5		IEBARN
COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000031295780	569455622	/nfs/dbraw/zinc/45/56/22/569455622.db2.gz	GRMLRLNDUHYSLH-XLNAKTSKSA-N	0	0	438.484	2.470	50	5		IEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cccc(OC)c1	ZINC000031937274	569458416	/nfs/dbraw/zinc/45/84/16/569458416.db2.gz	JLEFMHUDNZJORO-QQTULTPQSA-N	0	0	432.436	2.113	50	5		IEBARN
CCOC(=O)C1=C2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@]2(c2ccc(C)cc2)NN1	ZINC000008451727	569465105	/nfs/dbraw/zinc/46/51/05/569465105.db2.gz	YQMVOTIGEYKEQU-VGOFRKELSA-N	0	0	436.424	2.119	50	5		IEBARN
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000008728206	569472394	/nfs/dbraw/zinc/47/23/94/569472394.db2.gz	LLXMCLBTHQIIPX-KURKYZTESA-N	0	0	431.537	2.044	50	5		IEBARN
O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NC[C@H]1COc2ccccc2O1	ZINC000008780131	569475585	/nfs/dbraw/zinc/47/55/85/569475585.db2.gz	FYORHASPJYNRCB-INIZCTEOSA-N	0	0	441.440	2.308	50	5		IEBARN
COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c([N+](=O)[O-])c1	ZINC000008846985	569479133	/nfs/dbraw/zinc/47/91/33/569479133.db2.gz	VJFGKABZBOKIHO-OAHLLOKOSA-N	0	0	427.413	2.134	50	5		IEBARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccs1	ZINC000008854735	569479638	/nfs/dbraw/zinc/47/96/38/569479638.db2.gz	PYFJSYVZEOICOH-LRFDDAOPSA-N	0	0	445.478	2.361	50	5		IEBARN
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000068746665	569481946	/nfs/dbraw/zinc/48/19/46/569481946.db2.gz	LRGFBUZJTCOZOQ-AWEZNQCLSA-N	0	0	430.436	2.017	50	5		IEBARN
CC(=O)c1ccc(N2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)c(F)c1	ZINC000040005282	569482464	/nfs/dbraw/zinc/48/24/64/569482464.db2.gz	VZIUPPBESZGYJK-UHFFFAOYSA-N	0	0	442.403	2.193	50	5		IEBARN
O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(S(=O)(=O)NC2CC2)c1	ZINC000040115054	569489171	/nfs/dbraw/zinc/48/91/71/569489171.db2.gz	FJJVPJFCGNZNPK-UHFFFAOYSA-N	0	0	429.458	2.414	50	5		IEBARN
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1	ZINC000245237005	569500427	/nfs/dbraw/zinc/50/04/27/569500427.db2.gz	ASKYHWKPJJZKRI-YJBOKZPZSA-N	0	0	435.502	2.397	50	5		IEBARN
C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000009124988	569504562	/nfs/dbraw/zinc/50/45/62/569504562.db2.gz	ZFZDNPZBASGTGM-NSHDSACASA-N	0	0	430.369	2.321	50	5		IEBARN
Cn1c2nc3n(cc(-c4ccc([N+](=O)[O-])cc4)n3Cc3ccc(F)cc3)c2c(=O)n(C)c1=O	ZINC000009157948	569508451	/nfs/dbraw/zinc/50/84/51/569508451.db2.gz	ONQLCYIWFOKFQY-UHFFFAOYSA-N	0	0	448.414	2.449	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1c[nH]c(=O)n(-c2ccc(F)c(Cl)c2)c1=O	ZINC000009404002	569529582	/nfs/dbraw/zinc/52/95/82/569529582.db2.gz	COJPFTHLIDLPGR-UHFFFAOYSA-N	0	0	434.767	2.487	50	5		IEBARN
C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2=O	ZINC000009442579	569535567	/nfs/dbraw/zinc/53/55/67/569535567.db2.gz	MLFMUQGWTCHGQX-YUNKPMOVSA-N	0	0	443.416	2.189	50	5		IEBARN
O=C(CNC(=O)c1ccc(Br)o1)OCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000009562544	569547361	/nfs/dbraw/zinc/54/73/61/569547361.db2.gz	NLCSURIJCAYDIM-UHFFFAOYSA-N	0	0	441.190	2.290	50	5		IEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccccc1[N+](=O)[O-]	ZINC000009634411	569554459	/nfs/dbraw/zinc/55/44/59/569554459.db2.gz	IBZSDCSFEVCADJ-CLCOLTQESA-N	0	0	447.407	2.012	50	5		IEBARN
O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009891922	569572950	/nfs/dbraw/zinc/57/29/50/569572950.db2.gz	SMDRNOOCCKJZNV-UHFFFAOYSA-N	0	0	441.444	2.302	50	5		IEBARN
Cc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)c([N+](=O)[O-])n1	ZINC000009983733	569576607	/nfs/dbraw/zinc/57/66/07/569576607.db2.gz	QWSCEZXJLUTEGA-UHFFFAOYSA-N	0	0	428.854	2.219	50	5		IEBARN
O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)c2c1Nc1nnnn1[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000010296220	569580524	/nfs/dbraw/zinc/58/05/24/569580524.db2.gz	DVNRUDWPPIMDIU-INIZCTEOSA-N	0	0	433.344	2.347	50	5		IEBARN
COc1ccc([C@@H]2c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c(=O)c3Nc3nnnn32)c(OC)c1	ZINC000010296628	569580585	/nfs/dbraw/zinc/58/05/85/569580585.db2.gz	IMQCKGNSVCGISQ-GOSISDBHSA-N	0	0	448.399	2.456	50	5		IEBARN
COc1ccc([C@H]2c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c(=O)c3Nc3nnnn32)c(OC)c1	ZINC000010296632	569580594	/nfs/dbraw/zinc/58/05/94/569580594.db2.gz	IMQCKGNSVCGISQ-SFHVURJKSA-N	0	0	448.399	2.456	50	5		IEBARN
O=C(N[C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009519975	132233426	/nfs/dbraw/zinc/23/34/26/132233426.db2.gz	LXFFZBVWZJKQHE-INIZCTEOSA-N	0	0	427.436	2.371	50	5		IEBARN
Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000009635561	132324095	/nfs/dbraw/zinc/32/40/95/132324095.db2.gz	GMZILNLECOBBHT-UHFFFAOYSA-N	0	0	441.473	2.358	50	5		IEBARN
CNc1cc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)ccc1[N+](=O)[O-]	ZINC000009971950	132333440	/nfs/dbraw/zinc/33/34/40/132333440.db2.gz	BALJGFOWUCGOON-UHFFFAOYSA-N	0	0	433.490	2.106	50	5		IEBARN
CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN21	ZINC000248109385	521144581	/nfs/dbraw/zinc/14/45/81/521144581.db2.gz	MPUOWZKNKMABMX-ZRNYENFQSA-N	0	0	448.435	2.345	50	5		IEBARN
CCc1ccccc1NC(=O)CNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O	ZINC000021898154	521872161	/nfs/dbraw/zinc/87/21/61/521872161.db2.gz	HWBQSOPRMGOZMS-UHFFFAOYSA-N	0	0	435.440	2.380	50	5		IEBARN
COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccn3)C[C@H]12	ZINC000035894585	523353549	/nfs/dbraw/zinc/35/35/49/523353549.db2.gz	CXXDUPBBQYZJTR-UYAOXDASSA-N	0	0	425.489	2.010	50	5		IEBARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@@H]3C=CC=NN23)cc1	ZINC000253487970	523778471	/nfs/dbraw/zinc/77/84/71/523778471.db2.gz	UREIMRHCAAQQFO-HAGHYFMRSA-N	0	0	446.419	2.200	50	5		IEBARN
CCc1cc2c(ncn(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2=O)s1	ZINC000012793983	523848612	/nfs/dbraw/zinc/84/86/12/523848612.db2.gz	YLYQMHIDQQWOKI-UHFFFAOYSA-N	0	0	429.458	2.149	50	5		IEBARN
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12	ZINC000035870384	523920418	/nfs/dbraw/zinc/92/04/18/523920418.db2.gz	OCHLMQVOJZBYNG-RBBKRZOGSA-N	0	0	442.491	2.360	50	5		IEBARN
Cc1cc(C)c(NC(=O)CNC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1	ZINC000012562250	524286745	/nfs/dbraw/zinc/28/67/45/524286745.db2.gz	JZEJLJZFIVLACZ-UHFFFAOYSA-N	0	0	439.516	2.397	50	5		IEBARN
COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)c([N+](=O)[O-])c1	ZINC000012801808	525049919	/nfs/dbraw/zinc/04/99/19/525049919.db2.gz	NUQZYGIYWFAOLH-IBGZPJMESA-N	0	0	445.497	2.341	50	5		IEBARN
Cc1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N(C)C	ZINC000009662435	525066353	/nfs/dbraw/zinc/06/63/53/525066353.db2.gz	KUJYDPWCHHSODK-UHFFFAOYSA-N	0	0	435.458	2.257	50	5		IEBARN
Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C	ZINC000012537550	525493846	/nfs/dbraw/zinc/49/38/46/525493846.db2.gz	URIQJIJVPLZLAQ-UHFFFAOYSA-N	0	0	446.529	2.181	50	5		IEBARN
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000021956221	525495174	/nfs/dbraw/zinc/49/51/74/525495174.db2.gz	DFZAUYMCFBPEPJ-AWEZNQCLSA-N	0	0	449.485	2.266	50	5		IEBARN
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])N2CCOCC2)cc1	ZINC000023107007	525954081	/nfs/dbraw/zinc/95/40/81/525954081.db2.gz	ZVGPTRYQHQPBTN-FQEVSTJZSA-N	0	0	426.473	2.340	50	5		IEBARN
Cc1ccc(C(=O)NCC(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000012601972	526156012	/nfs/dbraw/zinc/15/60/12/526156012.db2.gz	POJFCPCQEVPUBT-LJQANCHMSA-N	0	0	425.420	2.411	50	5		IEBARN
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000012929121	526505484	/nfs/dbraw/zinc/50/54/84/526505484.db2.gz	HYFZFFXZLPDQMQ-UHFFFAOYSA-N	0	0	446.485	2.138	50	5		IEBARN
O=C(c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1	ZINC000020614792	526778877	/nfs/dbraw/zinc/77/88/77/526778877.db2.gz	IBWZYBZIQCXKFU-UHFFFAOYSA-N	0	0	431.470	2.248	50	5		IEBARN
O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O	ZINC000012589182	526995803	/nfs/dbraw/zinc/99/58/03/526995803.db2.gz	GJHHKERWTFAURZ-UHFFFAOYSA-N	0	0	435.458	2.493	50	5		IEBARN
COC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc([N+](=O)[O-])c1	ZINC000003254558	536878044	/nfs/dbraw/zinc/87/80/44/536878044.db2.gz	XSBAQCSWBIDFTP-UHFFFAOYSA-N	0	0	443.412	2.014	50	5		IEBARN
COc1cc(CCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c([N+](=O)[O-])cc1OC	ZINC000032814202	556399442	/nfs/dbraw/zinc/39/94/42/556399442.db2.gz	XZPCSRXGRUPIQF-UHFFFAOYSA-N	0	0	449.485	2.260	50	5		IEBARN
Cn1c(=O)cc(COc2ccc3c(c2)oc(=O)cc3-c2ccc([N+](=O)[O-])cc2)n(C)c1=O	ZINC000032865403	556450771	/nfs/dbraw/zinc/45/07/71/556450771.db2.gz	KAOUIONMLSPTTF-UHFFFAOYSA-N	0	0	435.392	2.345	50	5		IEBARN
O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000011080944	556521591	/nfs/dbraw/zinc/52/15/91/556521591.db2.gz	VYIHTAOROZOYPW-UHFFFAOYSA-N	0	0	436.218	2.269	50	5		IEBARN
Cc1cccn2c1nc1c(cc(C(=O)NCc3ccco3)c(=N)n1Cc1cccnc1)c2=O	ZINC000100627589	556635217	/nfs/dbraw/zinc/63/52/17/556635217.db2.gz	NNMZNQVZIZWHCP-UHFFFAOYSA-N	0	0	440.463	2.403	50	5		IEBARN
O=C(c1cc(-c2ccc3c(c2)CCO3)n[nH]1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c([N+](=O)[O-])ccc12	ZINC000409413859	556640183	/nfs/dbraw/zinc/64/01/83/556640183.db2.gz	UZJNNSFVHXBYIJ-XJKSGUPXSA-N	0	0	447.451	2.341	50	5	biogenic	IEBARN
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000247940153	556648550	/nfs/dbraw/zinc/64/85/50/556648550.db2.gz	ICBKIPGVFKUTRG-KEXUJGGDSA-N	0	0	448.435	2.035	50	5		IEBARN
CCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCc2ccc(OC)c(OC)c2)c1=N	ZINC000100753496	556664603	/nfs/dbraw/zinc/66/46/03/556664603.db2.gz	FRJRNCSBYHAGDS-UHFFFAOYSA-N	0	0	447.495	2.138	50	5	biogenic	IEBARN
CNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCc2ccc(OC)c(OC)c2)c1=N	ZINC000100758333	556667850	/nfs/dbraw/zinc/66/78/50/556667850.db2.gz	OBHXLBUAAGDVCW-UHFFFAOYSA-N	0	0	447.495	2.057	50	5	biogenic	IEBARN
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1)[C@@H]1CC1[N+](=O)[O-]	ZINC000032932147	556677205	/nfs/dbraw/zinc/67/72/05/556677205.db2.gz	CNPHIWWEWJXFDM-SJLPKXTDSA-N	0	0	447.469	2.104	50	5		IEBARN
COc1ccc(OC)c(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1	ZINC000024211919	556692601	/nfs/dbraw/zinc/69/26/01/556692601.db2.gz	LJXIWBUZNYDSGN-UHFFFAOYSA-N	0	0	437.474	2.245	50	5		IEBARN
CCOC(=O)c1ccc(-n2c(CN3CCOCC3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1	ZINC000013574149	556698951	/nfs/dbraw/zinc/69/89/51/556698951.db2.gz	QSQDVDLTRZQBFO-UHFFFAOYSA-N	0	0	438.440	2.303	50	5		IEBARN
CC1CCC(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])CC1	ZINC000005207260	556731459	/nfs/dbraw/zinc/73/14/59/556731459.db2.gz	OCUCYEXOJXKOOK-UHFFFAOYSA-N	0	0	425.507	2.453	50	5		IEBARN
O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000096662930	556840367	/nfs/dbraw/zinc/84/03/67/556840367.db2.gz	VXJBJMYLSTWANB-STQMWFEESA-N	0	0	437.836	2.295	50	5		IEBARN
O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)C1=COCCO1	ZINC000023078884	556996058	/nfs/dbraw/zinc/99/60/58/556996058.db2.gz	QHVCJEZKAJKMDD-ZSOIEALJSA-N	0	0	439.833	2.289	50	5		IEBARN
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c([N+](=O)[O-])c1	ZINC000023107349	557001792	/nfs/dbraw/zinc/00/17/92/557001792.db2.gz	MJKFUYIVHQXKDD-IBGZPJMESA-N	0	0	430.436	2.171	50	5		IEBARN
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000023107293	557001812	/nfs/dbraw/zinc/00/18/12/557001812.db2.gz	HJUAIDGZWFMSEQ-SFHVURJKSA-N	0	0	434.399	2.001	50	5		IEBARN
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000098004334	557007685	/nfs/dbraw/zinc/00/76/85/557007685.db2.gz	FWZQGQGIHMVKQX-PKVLTRFUSA-N	0	0	448.501	2.298	50	5		IEBARN
CC(C)[C@@H]1NC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1=O	ZINC000049574839	557113838	/nfs/dbraw/zinc/11/38/38/557113838.db2.gz	KPNLBRYEZDRYFC-HNNXBMFYSA-N	0	0	429.399	2.270	50	5		IEBARN
O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000017741657	557114425	/nfs/dbraw/zinc/11/44/25/557114425.db2.gz	JGHDCHYUHJPYRL-IBGZPJMESA-N	0	0	428.397	2.123	50	5		IEBARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@@H]3C=CC=NN23)cc1	ZINC000018030731	557229775	/nfs/dbraw/zinc/22/97/75/557229775.db2.gz	UREIMRHCAAQQFO-LWYYNNOASA-N	0	0	446.419	2.200	50	5		IEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N/C(=O)c1ccc(F)c(F)c1	ZINC000101177166	557262697	/nfs/dbraw/zinc/26/26/97/557262697.db2.gz	HRVAIQATCMTIJZ-LGUFXXKBSA-N	0	0	438.390	2.382	50	5		IEBARN
N=c1c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1	ZINC000100515147	557414179	/nfs/dbraw/zinc/41/41/79/557414179.db2.gz	NAWYSLYQWFOKGC-GOSISDBHSA-N	0	0	443.507	2.280	50	5		IEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)C1CC1	ZINC000103628933	557440435	/nfs/dbraw/zinc/44/04/35/557440435.db2.gz	HLDIXVCCTJBBMT-QQTULTPQSA-N	0	0	432.436	2.305	50	5		IEBARN
COc1ccccc1CCC(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000025022567	557840118	/nfs/dbraw/zinc/84/01/18/557840118.db2.gz	ILYNNZLSWNHOPV-UHFFFAOYSA-N	0	0	427.457	2.428	50	5		IEBARN
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](Nc1ncccn1)C(Cl)(Cl)Cl	ZINC000008434966	560208914	/nfs/dbraw/zinc/20/89/14/560208914.db2.gz	ZEXHXVOGJFGTRX-JTQLQIEISA-N	0	0	438.659	2.424	50	5	in-vitro	IEBARN
COc1ccc(CCNC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)cc1OC	ZINC000000995804	562919951	/nfs/dbraw/zinc/91/99/51/562919951.db2.gz	ZSCYTFHITASAHD-UHFFFAOYSA-N	0	0	427.255	2.238	50	5		IEBARN
COc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)c(C)cc1[N+](=O)[O-]	ZINC000008685468	562962547	/nfs/dbraw/zinc/96/25/47/562962547.db2.gz	NAHYGBXZUIXPEZ-UHFFFAOYSA-N	0	0	435.820	2.477	50	5	aggregator	IEBARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(C(=O)OC)C(=O)OC)c([N+](=O)[O-])c1	ZINC000012858766	562983251	/nfs/dbraw/zinc/98/32/51/562983251.db2.gz	ZMSZNHIUXJPSKU-UHFFFAOYSA-N	0	0	436.442	2.240	50	5		IEBARN
O=C(CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1F	ZINC000015936762	563018977	/nfs/dbraw/zinc/01/89/77/563018977.db2.gz	ZPPNLFTVWLELTQ-UHFFFAOYSA-N	0	0	436.465	2.069	50	5		IEBARN
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2)C1	ZINC000019025782	568634592	/nfs/dbraw/zinc/63/45/92/568634592.db2.gz	BMUMAMIRAQZAGC-GJZGRUSLSA-N	0	0	448.501	2.062	50	5		IEBARN
COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1F	ZINC000025199395	568647511	/nfs/dbraw/zinc/64/75/11/568647511.db2.gz	MBIMSLCBSQBMQC-UHFFFAOYSA-N	0	0	444.463	2.207	50	5		IEBARN
O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000025326384	568653113	/nfs/dbraw/zinc/65/31/13/568653113.db2.gz	FHXGKSFCKPNQSG-LJQANCHMSA-N	0	0	446.529	2.296	50	5		IEBARN
O=[N+]([O-])c1ccc(NCCc2ccc3c(c2)OCCO3)c(S(=O)(=O)N2CCOCC2)c1	ZINC000015167384	568731870	/nfs/dbraw/zinc/73/18/70/568731870.db2.gz	DYOUUUIZKPZDSK-UHFFFAOYSA-N	0	0	449.485	2.042	50	5		IEBARN
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NCCN3CCOCC3)c([N+](=O)[O-])c2)C1	ZINC000015208354	568732112	/nfs/dbraw/zinc/73/21/12/568732112.db2.gz	MKDGYGAJNXWWIT-IYBDPMFKSA-N	0	0	426.539	2.006	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C(C)=O)N3N=Cc4ccccc4[C@H]3[C@H]2C1=O	ZINC000248382530	568782592	/nfs/dbraw/zinc/78/25/92/568782592.db2.gz	XFAYNBZCTHYGMB-FYQPLNBISA-N	0	0	434.408	2.071	50	5		IEBARN
O=C(c1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1	ZINC000015882638	568857015	/nfs/dbraw/zinc/85/70/15/568857015.db2.gz	QRYAIMAMWLIJGT-UHFFFAOYSA-N	0	0	437.499	2.310	50	5		IEBARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1	ZINC000015922373	568858706	/nfs/dbraw/zinc/85/87/06/568858706.db2.gz	PXWRDNPUUVLOCF-IUYQLWOBSA-N	0	0	441.490	2.378	50	5		IEBARN
CN(CCCC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000016381569	568885774	/nfs/dbraw/zinc/88/57/74/568885774.db2.gz	CJSXXCKJOYBPNZ-UHFFFAOYSA-N	0	0	446.529	2.344	50	5		IEBARN
COc1cc(-c2nc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc(OC)c1OC	ZINC000001899630	568918084	/nfs/dbraw/zinc/91/80/84/568918084.db2.gz	HUPNLUHOBRXRBK-PXNMLYILSA-N	0	0	440.437	2.300	50	5		IEBARN
CCc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000089289588	568919670	/nfs/dbraw/zinc/91/96/70/568919670.db2.gz	IYJDHYGAKOYHDN-UHFFFAOYSA-N	0	0	433.486	2.069	50	5		IEBARN
COC(=O)c1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)cc([N+](=O)[O-])c1	ZINC000036666301	569130609	/nfs/dbraw/zinc/13/06/09/569130609.db2.gz	UIMBOEDAUBAXOM-GOSISDBHSA-N	0	0	425.397	2.377	50	5		IEBARN
Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](CN2CCOCC2)C1	ZINC000170603730	569143700	/nfs/dbraw/zinc/14/37/00/569143700.db2.gz	HIODWICRIXBPOE-ZDUSSCGKSA-N	0	0	448.339	2.009	50	5		IEBARN
C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000249688663	569155426	/nfs/dbraw/zinc/15/54/26/569155426.db2.gz	IJVDAFHWQGJMMF-CDGCEXEKSA-N	0	0	449.847	2.458	50	5		IEBARN
Nc1nc(NCCN2CCOCC2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000016757506	569161105	/nfs/dbraw/zinc/16/11/05/569161105.db2.gz	DZYQOEVVCMTUQA-UHFFFAOYSA-N	0	0	441.536	2.170	50	5		IEBARN
O=C(c1ccccc1)c1ccc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c([N+](=O)[O-])c1	ZINC000089823088	569165231	/nfs/dbraw/zinc/16/52/31/569165231.db2.gz	HZTDSRJJUZKYNZ-UHFFFAOYSA-N	0	0	432.436	2.477	50	5		IEBARN
COC(=O)C1=C(C)N=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1	ZINC000252666340	569209608	/nfs/dbraw/zinc/20/96/08/569209608.db2.gz	BESBDYJRBPEXJF-QGZVFWFLSA-N	0	0	441.490	2.378	50	5		IEBARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccs1	ZINC000002298231	569268423	/nfs/dbraw/zinc/26/84/23/569268423.db2.gz	PYFJSYVZEOICOH-RCBBPTIPSA-N	0	0	445.478	2.361	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3N=CC=C[C@@H]23)C1O	ZINC000253486968	569283038	/nfs/dbraw/zinc/28/30/38/569283038.db2.gz	BQZZHVMILDBJOU-KNTRFNDTSA-N	0	0	446.419	2.200	50	5		IEBARN
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000009226708	569294586	/nfs/dbraw/zinc/29/45/86/569294586.db2.gz	RDZGIKJWJSKLIR-AWEZNQCLSA-N	0	0	435.458	2.022	50	5		IEBARN
Cc1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	ZINC000009662593	569297581	/nfs/dbraw/zinc/29/75/81/569297581.db2.gz	VBLNVCNUQLZEKJ-UHFFFAOYSA-N	0	0	437.456	2.482	50	5		IEBARN
Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000013006011	569306277	/nfs/dbraw/zinc/30/62/77/569306277.db2.gz	LONUPLCFQVATHG-UHFFFAOYSA-N	0	0	449.485	2.250	50	5		IEBARN
Cc1cc(NC(=O)COC(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)no1	ZINC000013063065	569308400	/nfs/dbraw/zinc/30/84/00/569308400.db2.gz	UTFLDDFASGKCKY-MRXNPFEDSA-N	0	0	438.824	2.481	50	5		IEBARN
O=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)Nc1cc([N+](=O)[O-])ccc1F	ZINC000013129594	569311239	/nfs/dbraw/zinc/31/12/39/569311239.db2.gz	CAZRCXXYTGRDIO-UHFFFAOYSA-N	0	0	429.360	2.292	50	5		IEBARN
Cc1nnc([C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)[nH]1	ZINC000079107811	569325892	/nfs/dbraw/zinc/32/58/92/569325892.db2.gz	ZRDRNZOTWVXSLH-JTQLQIEISA-N	0	0	430.284	2.352	50	5		IEBARN
CCn1nc(C(=O)NC2CC2)c(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1	ZINC000096203575	569386340	/nfs/dbraw/zinc/38/63/40/569386340.db2.gz	LKFUQAIIPDQNMS-UHFFFAOYSA-N	0	0	449.489	2.245	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O	ZINC000003312468	569445515	/nfs/dbraw/zinc/44/55/15/569445515.db2.gz	QNSQLSYOASFFFU-VXGBXAGGSA-N	0	0	441.396	2.158	50	5		IEBARN
CC(=O)Nc1cccc2c1ccn2CC(=O)N1C[C@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2	ZINC000604404848	569448324	/nfs/dbraw/zinc/44/83/24/569448324.db2.gz	TUPPMRNHKHWJSQ-CVEARBPZSA-N	0	0	449.467	2.316	50	5	biogenic	IEBARN
COc1cc(N2C[C@@H](C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)cc(OC)c1OC	ZINC000058157707	569449054	/nfs/dbraw/zinc/44/90/54/569449054.db2.gz	KKABWTFIHSIRIE-AWEZNQCLSA-N	0	0	429.429	2.290	50	5		IEBARN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3CCC[C@H]23)C1O	ZINC000217595027	569449644	/nfs/dbraw/zinc/44/96/44/569449644.db2.gz	DTRCFYFVHKQYOT-GTAWCEEGSA-N	0	0	435.436	2.439	50	5		IEBARN
O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1	ZINC000003499880	569452746	/nfs/dbraw/zinc/45/27/46/569452746.db2.gz	MTKYUQKADIONIW-UHFFFAOYSA-N	0	0	432.816	2.495	50	5		IEBARN
CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1	ZINC000058342775	569453389	/nfs/dbraw/zinc/45/33/89/569453389.db2.gz	JZMSKJOAGLZPMO-UHFFFAOYSA-N	0	0	443.501	2.393	50	5		IEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)Cc1ccc(OC)cc1	ZINC000031936957	569458420	/nfs/dbraw/zinc/45/84/20/569458420.db2.gz	KKOCYLVVXXBVCT-ROMGYVFFSA-N	0	0	446.463	2.042	50	5		IEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)CCc1ccccc1	ZINC000031936953	569458471	/nfs/dbraw/zinc/45/84/71/569458471.db2.gz	QXWOPBNMXLWXIO-ROMGYVFFSA-N	0	0	430.464	2.423	50	5		IEBARN
CCOC(=O)C1=C2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@]2(c2ccc(C)cc2)NN1	ZINC000008451728	569465092	/nfs/dbraw/zinc/46/50/92/569465092.db2.gz	YQMVOTIGEYKEQU-VGSWGCGISA-N	0	0	436.424	2.119	50	5		IEBARN
C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1C	ZINC000009440899	569535319	/nfs/dbraw/zinc/53/53/19/569535319.db2.gz	NFYMSMHEPRLKFT-UMVBOHGHSA-N	0	0	431.445	2.065	50	5		IEBARN
Cc1c(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)o2)cccc1[N+](=O)[O-]	ZINC000009518649	569544150	/nfs/dbraw/zinc/54/41/50/569544150.db2.gz	ONILQSMESHCUNW-UHFFFAOYSA-N	0	0	434.459	2.404	50	5		IEBARN
O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000009724261	569563652	/nfs/dbraw/zinc/56/36/52/569563652.db2.gz	RVDKTXOGBUQOTD-UHFFFAOYSA-N	0	0	425.445	2.099	50	5		IEBARN
COc1ccc([C@@H]2c3c(-c4ccc([N+](=O)[O-])cc4)n[nH]c(=O)c3Nc3nnnn32)cc1OC	ZINC000010296300	569580588	/nfs/dbraw/zinc/58/05/88/569580588.db2.gz	HGVPTETXXJPZLI-GOSISDBHSA-N	0	0	448.399	2.456	50	5		IEBARN
CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)sc2c1	ZINC000010337287	569581195	/nfs/dbraw/zinc/58/11/95/569581195.db2.gz	DWTBOPQOKRPRRJ-UHFFFAOYSA-N	0	0	436.471	2.163	50	5		IEBARN
C[C@@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1	ZINC000010221056	132243923	/nfs/dbraw/zinc/24/39/23/132243923.db2.gz	GSZACQDOKBXMDL-MRXNPFEDSA-N	0	0	446.533	2.275	50	5		IEBARN
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1	ZINC000010256468	132244161	/nfs/dbraw/zinc/24/41/61/132244161.db2.gz	QCZXWOFGBVJADM-UHFFFAOYSA-N	0	0	444.455	2.140	50	5		IEBARN
O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1CN(c1ccc(Br)cc1)CN=2	ZINC000002251786	132249966	/nfs/dbraw/zinc/24/99/66/132249966.db2.gz	LWXSDQMFLNVTKQ-SXGWCWSVSA-N	0	0	445.298	2.464	50	5		IEBARN
O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1CN(c1ccc(Br)cc1)CN=2	ZINC000002293575	132251462	/nfs/dbraw/zinc/25/14/62/132251462.db2.gz	RXJLQHODTNYNCV-SXGWCWSVSA-N	0	0	445.298	2.464	50	5		IEBARN
O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1CN(c1cccc(Br)c1)CN=2	ZINC000002366577	132253040	/nfs/dbraw/zinc/25/30/40/132253040.db2.gz	LQKGWUGINMVQSU-PXNMLYILSA-N	0	0	445.298	2.464	50	5		IEBARN
CCOC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])CC1	ZINC000008826465	132295373	/nfs/dbraw/zinc/29/53/73/132295373.db2.gz	MKGFHBHIQOMLIH-UHFFFAOYSA-N	0	0	440.522	2.294	50	5		IEBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1	ZINC000009403326	132314764	/nfs/dbraw/zinc/31/47/64/132314764.db2.gz	QLNGFAMVPYFIQP-UHFFFAOYSA-N	0	0	426.385	2.268	50	5		IEBARN
CCOc1ccc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-]	ZINC000001065292	520919996	/nfs/dbraw/zinc/91/99/96/520919996.db2.gz	IBLPNIGOEAPKKA-UHFFFAOYSA-N	0	0	448.501	2.327	50	5		IEBARN
COc1cc(N2C(=O)[C@H]3[C@H]4C=CC=NN4[C@@H](C(=O)C(C)(C)C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000253487542	522630142	/nfs/dbraw/zinc/63/01/42/522630142.db2.gz	LOVGPOBXAVPMQR-PBZHRCKQSA-N	0	0	440.456	2.241	50	5		IEBARN
CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1C	ZINC000012901120	523131896	/nfs/dbraw/zinc/13/18/96/523131896.db2.gz	ICDGCLLBAUPSMK-UHFFFAOYSA-N	0	0	434.518	2.488	50	5		IEBARN
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1OC	ZINC000024448658	523646552	/nfs/dbraw/zinc/64/65/52/523646552.db2.gz	ZIPCYJIUHKUYNU-UHFFFAOYSA-N	0	0	449.485	2.067	50	5		IEBARN
C[C@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1	ZINC000012731825	525940239	/nfs/dbraw/zinc/94/02/39/525940239.db2.gz	SHOPOTNWTWFKSK-VIFPVBQESA-N	0	0	444.263	2.411	50	5		IEBARN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1	ZINC000020614808	526714992	/nfs/dbraw/zinc/71/49/92/526714992.db2.gz	GJOWTMHXWOYVFM-UHFFFAOYSA-N	0	0	437.499	2.310	50	5		IEBARN
NC(=O)[C@@H]1CN(C(=O)COC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2O1	ZINC000012044464	526979087	/nfs/dbraw/zinc/97/90/87/526979087.db2.gz	NLOFDUBDGBDDQM-JKNJVXJCSA-N	0	0	445.815	2.084	50	5		IEBARN
Cn1c2cn(-c3ccc4c(c3)OCCO4)c(-c3cccc([N+](=O)[O-])c3)c2c(=O)n(C)c1=O	ZINC000020443301	527119161	/nfs/dbraw/zinc/11/91/61/527119161.db2.gz	PAMAAAUBLIQQCL-UHFFFAOYSA-N	0	0	434.408	2.374	50	5		IEBARN
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCN1CCOCC1	ZINC000020902891	527318666	/nfs/dbraw/zinc/31/86/66/527318666.db2.gz	VUABXGDFEGHTJL-UHFFFAOYSA-N	0	0	435.484	2.438	50	5		IEBARN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000012888405	527619099	/nfs/dbraw/zinc/61/90/99/527619099.db2.gz	RMXBIHFQWCZDLQ-RMKNXTFCSA-N	0	0	431.489	2.303	50	5		IEBARN
CCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c1nc1ccccn1c2=O	ZINC000013749004	556298391	/nfs/dbraw/zinc/29/83/91/556298391.db2.gz	VDHFWKYWKLXEEA-UHFFFAOYSA-N	0	0	431.452	2.197	50	5		IEBARN
COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC	ZINC000015885248	556561364	/nfs/dbraw/zinc/56/13/64/556561364.db2.gz	CPIIUDXBOZAHQV-SFQUDFHCSA-N	0	0	441.440	2.242	50	5		IEBARN
O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000032994628	556609494	/nfs/dbraw/zinc/60/94/94/556609494.db2.gz	GLUOWHDCFMFUNZ-UHFFFAOYSA-N	0	0	433.442	2.403	50	5		IEBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1	ZINC000032927742	556656490	/nfs/dbraw/zinc/65/64/90/556656490.db2.gz	XSCRXBBNXXQHCW-UHFFFAOYSA-N	0	0	446.485	2.212	50	5		IEBARN
CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12	ZINC000248109375	556664341	/nfs/dbraw/zinc/66/43/41/556664341.db2.gz	MPUOWZKNKMABMX-WTGUMLROSA-N	0	0	448.435	2.345	50	5		IEBARN
CN(C)CCN1C(=O)C(=O)C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000024193218	556689363	/nfs/dbraw/zinc/68/93/63/556689363.db2.gz	VGZHPDWERKIASY-KRWDZBQOSA-N	0	0	431.470	2.283	50	5		IEBARN
O=C(COc1cc(O)c2c(=O)c3cc(Br)ccc3oc2c1)N1CCNC1=O	ZINC000061720718	556727968	/nfs/dbraw/zinc/72/79/68/556727968.db2.gz	COUYNEXXMGYQAQ-UHFFFAOYSA-N	0	0	433.214	2.345	50	5		IEBARN
COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1	ZINC000013856785	556746243	/nfs/dbraw/zinc/74/62/43/556746243.db2.gz	NNOACWCVRMXMEA-OAHLLOKOSA-N	0	0	426.381	2.160	50	5		IEBARN
O=C(N1CCOCC1)C12C[C@H]3C[C@@H](C1)CC(n1nc([N+](=O)[O-])nc1Br)(C3)C2	ZINC000013881971	556748004	/nfs/dbraw/zinc/74/80/04/556748004.db2.gz	NFJHTYWUIAQLSX-GKUGFIGPSA-N	0	0	440.298	2.103	50	5		IEBARN
Cc1ccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C(=O)N2CCN(C)CC2)cc1	ZINC000022996775	556839087	/nfs/dbraw/zinc/83/90/87/556839087.db2.gz	OXGCMCVIJWNBFS-UHFFFAOYSA-N	0	0	432.502	2.462	50	5		IEBARN
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@H]12)N1CCOCC1	ZINC000247338409	556880332	/nfs/dbraw/zinc/88/03/32/556880332.db2.gz	ABRGKVRTSDYFSR-RBBKRZOGSA-N	0	0	440.475	2.460	50	5		IEBARN
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000013958192	557004617	/nfs/dbraw/zinc/00/46/17/557004617.db2.gz	VCRUMLYURBQWSJ-CQSZACIVSA-N	0	0	435.458	2.022	50	5		IEBARN
O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000010834036	557033016	/nfs/dbraw/zinc/03/30/16/557033016.db2.gz	JHYITMXDBDWJAH-ZDUSSCGKSA-N	0	0	427.866	2.469	50	5		IEBARN
O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21)c1ccncc1	ZINC000000658060	557125086	/nfs/dbraw/zinc/12/50/86/557125086.db2.gz	MAQLDDBJABVCRE-PGPPMQCXSA-N	0	0	440.415	2.007	50	5		IEBARN
O=C(NN1C(=O)[C@H]2[C@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21)c1ccncc1	ZINC000000658054	557125525	/nfs/dbraw/zinc/12/55/25/557125525.db2.gz	MAQLDDBJABVCRE-NCMKUFGYSA-N	0	0	440.415	2.007	50	5		IEBARN
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O	ZINC000011378541	557129973	/nfs/dbraw/zinc/12/99/73/557129973.db2.gz	UOEVVKSSDMQURI-QFIPXVFZSA-N	0	0	436.424	2.372	50	5		IEBARN
Cc1nc2ccccc2nc1COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000024763310	557134927	/nfs/dbraw/zinc/13/49/27/557134927.db2.gz	MYVZRXIEDAHKDD-UHFFFAOYSA-N	0	0	444.469	2.446	50	5		IEBARN
COCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1[N+](=O)[O-]	ZINC000100872840	557195697	/nfs/dbraw/zinc/19/56/97/557195697.db2.gz	AOHIWHBKJBUJOF-HNENSFHCSA-N	0	0	435.483	2.402	50	5		IEBARN
Cc1cccn2c1nc1c(cc(C(=O)NC[C@H]3CCCO3)c(=N)n1Cc1ccccc1)c2=O	ZINC000100929664	557202468	/nfs/dbraw/zinc/20/24/68/557202468.db2.gz	JHYILZRFRZCPNN-GOSISDBHSA-N	0	0	443.507	2.394	50	5		IEBARN
O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000018061066	557233778	/nfs/dbraw/zinc/23/37/78/557233778.db2.gz	FPMAOYXQQZULIS-CADBVGFASA-N	0	0	434.383	2.331	50	5		IEBARN
CCCCC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1	ZINC000018040556	557234363	/nfs/dbraw/zinc/23/43/63/557234363.db2.gz	JBHICIMAEVWBOT-UHFFFAOYSA-N	0	0	426.539	2.464	50	5		IEBARN
COCCCn1c(=N)c(C(=O)NCc2ccc(C)cc2)cc2c1nc1ccccn1c2=O	ZINC000101086260	557236784	/nfs/dbraw/zinc/23/67/84/557236784.db2.gz	QLCOKYJWJRGPFX-UHFFFAOYSA-N	0	0	431.496	2.404	50	5		IEBARN
Cc1cc(NC(=O)c2cc3c(nc4ccccn4c3=O)n(Cc3cccnc3)c2=N)no1	ZINC000100956201	557280009	/nfs/dbraw/zinc/28/00/09/557280009.db2.gz	KRUYKLVOJPMZQR-UHFFFAOYSA-N	0	0	427.424	2.121	50	5		IEBARN
CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H](C(F)(F)F)C3)c([N+](=O)[O-])c2)CC1	ZINC000014094846	557301084	/nfs/dbraw/zinc/30/10/84/557301084.db2.gz	KWKXYTBVQSBIES-CYBMUJFWSA-N	0	0	436.456	2.310	50	5		IEBARN
Cc1ccccc1CN(C)C(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000023599027	557367853	/nfs/dbraw/zinc/36/78/53/557367853.db2.gz	YQPFSKGGKABSES-UHFFFAOYSA-N	0	0	446.529	2.426	50	5		IEBARN
Cc1ccc(C(=O)NCCn2ncc3c2ncn(Cc2cccc([N+](=O)[O-])c2)c3=O)cc1	ZINC000012071827	557526815	/nfs/dbraw/zinc/52/68/15/557526815.db2.gz	TYBCPCMBWFYSGB-UHFFFAOYSA-N	0	0	432.440	2.288	50	5		IEBARN
O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000009715019	562975854	/nfs/dbraw/zinc/97/58/54/562975854.db2.gz	SYNRXCHIDFKHAJ-UHFFFAOYSA-N	0	0	437.499	2.347	50	5		IEBARN
O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000019064491	568634948	/nfs/dbraw/zinc/63/49/48/568634948.db2.gz	MKFCAFKVBOOFKB-UHFFFAOYSA-N	0	0	445.842	2.390	50	5		IEBARN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(C/C=C/c2ccccc2)CC1	ZINC000025480674	568659891	/nfs/dbraw/zinc/65/98/91/568659891.db2.gz	DAKHYRIZTRCNES-VMPITWQZSA-N	0	0	434.452	2.048	50	5		IEBARN
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000015407516	568761987	/nfs/dbraw/zinc/76/19/87/568761987.db2.gz	YGBAEVKBMIISDL-OAHLLOKOSA-N	0	0	433.486	2.434	50	5		IEBARN
C[C@H](C(=O)O[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000229460815	568782127	/nfs/dbraw/zinc/78/21/27/568782127.db2.gz	QAAFXXJJKNVMMM-RQJABVFESA-N	0	0	431.445	2.016	50	5		IEBARN
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000016212533	568873265	/nfs/dbraw/zinc/87/32/65/568873265.db2.gz	RHLKLYNWTSMAIQ-UHFFFAOYSA-N	0	0	442.859	2.189	50	5		IEBARN
C[C@H](C(=O)Nc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000089552921	568937424	/nfs/dbraw/zinc/93/74/24/568937424.db2.gz	VEIKREXHWZRHKK-CQSZACIVSA-N	0	0	436.465	2.067	50	5		IEBARN
O=C(NC1CCCC1)[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC2(CC1)OCCO2	ZINC000036067089	568945122	/nfs/dbraw/zinc/94/51/22/568945122.db2.gz	YVAXYKNWEACLGL-IBGZPJMESA-N	0	0	433.461	2.262	50	5		IEBARN
COc1ccccc1Cn1ccc2nc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O	ZINC000036358534	569085278	/nfs/dbraw/zinc/08/52/78/569085278.db2.gz	LPWMGXCVNDQNMF-UHFFFAOYSA-N	0	0	446.507	2.101	50	5		IEBARN
O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000009882288	569149544	/nfs/dbraw/zinc/14/95/44/569149544.db2.gz	XYIIDEKWDZLHJZ-UHFFFAOYSA-N	0	0	441.849	2.099	50	5		IEBARN
COc1cc(C(=O)NCC2N=NC(=S)N2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	ZINC000016943443	569166821	/nfs/dbraw/zinc/16/68/21/569166821.db2.gz	CBUYBUGVLTUYEL-UHFFFAOYSA-N	0	0	445.457	2.420	50	5		IEBARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000252677750	569210531	/nfs/dbraw/zinc/21/05/31/569210531.db2.gz	ZSEARIISKXNDIG-GOSISDBHSA-N	0	0	439.449	2.300	50	5		IEBARN
COCCCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2C1=O	ZINC000002252440	569215179	/nfs/dbraw/zinc/21/51/79/569215179.db2.gz	CAFLLQMSRSZYLE-UHFFFAOYSA-N	0	0	426.381	2.267	50	5		IEBARN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccn3)C[C@H]12)N1CCSCC1	ZINC000225093587	569215989	/nfs/dbraw/zinc/21/59/89/569215989.db2.gz	SQLKJZYESRBZJX-UYAOXDASSA-N	0	0	439.541	2.433	50	5		IEBARN
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F	ZINC000015345408	569217576	/nfs/dbraw/zinc/21/75/76/569217576.db2.gz	CAILFUQGVINVDT-IBGZPJMESA-N	0	0	442.403	2.444	50	5		IEBARN
O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000253487130	569283009	/nfs/dbraw/zinc/28/30/09/569283009.db2.gz	FPMAOYXQQZULIS-OKYOBFRVSA-N	0	0	434.383	2.331	50	5		IEBARN
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1	ZINC000008927501	569292464	/nfs/dbraw/zinc/29/24/64/569292464.db2.gz	PEHHOIVIXFJKRN-CQSZACIVSA-N	0	0	445.815	2.168	50	5		IEBARN
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1	ZINC000008927504	569292479	/nfs/dbraw/zinc/29/24/79/569292479.db2.gz	PEHHOIVIXFJKRN-AWEZNQCLSA-N	0	0	445.815	2.168	50	5		IEBARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000008951206	569292569	/nfs/dbraw/zinc/29/25/69/569292569.db2.gz	SMLFIGCFFGPMEB-XYSGSMRZSA-N	0	0	435.461	2.316	50	5		IEBARN
Cc1cc(NC(=O)COC(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)no1	ZINC000013063066	569308438	/nfs/dbraw/zinc/30/84/38/569308438.db2.gz	UTFLDDFASGKCKY-INIZCTEOSA-N	0	0	438.824	2.481	50	5		IEBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCO	ZINC000013129758	569311232	/nfs/dbraw/zinc/31/12/32/569311232.db2.gz	ZUJWMQAWAGMQLT-LBPRGKRZSA-N	0	0	444.469	2.425	50	5		IEBARN
Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@@H](C(CO)CO)C3)c([N+](=O)[O-])c2)c(C)c1	ZINC000078990294	569321434	/nfs/dbraw/zinc/32/14/34/569321434.db2.gz	CFVBPNQWWZWTQF-MRXNPFEDSA-N	0	0	449.529	2.440	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccccc3)N3CCC[C@@H]23)C1O	ZINC000020190506	569355651	/nfs/dbraw/zinc/35/56/51/569355651.db2.gz	VHKHFMYNLHHQFA-OBZTUIKSSA-N	0	0	435.436	2.439	50	5		IEBARN
CCc1nc(CN(C(C)=O)[C@@H]2CCN(c3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])C2)no1	ZINC000095973740	569377459	/nfs/dbraw/zinc/37/74/59/569377459.db2.gz	LMTMPDOKBRVAFN-MRXNPFEDSA-N	0	0	444.492	2.306	50	5		IEBARN
Cc1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)cc1	ZINC000096592156	569401801	/nfs/dbraw/zinc/40/18/01/569401801.db2.gz	BMFUCMFNLSRSRF-FZONSQQESA-N	0	0	433.420	2.146	50	5		IEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc(OC)cc1	ZINC000002494497	569405730	/nfs/dbraw/zinc/40/57/30/569405730.db2.gz	UHYPFGGIHYWLHD-QQTULTPQSA-N	0	0	432.436	2.113	50	5		IEBARN
O=C(NCC(F)(F)F)C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000028333243	569409745	/nfs/dbraw/zinc/40/97/45/569409745.db2.gz	IJFOQAPUTLZYFH-UHFFFAOYSA-N	0	0	429.804	2.327	50	5		IEBARN
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCN(c2ncccn2)CC1	ZINC000028645546	569416486	/nfs/dbraw/zinc/41/64/86/569416486.db2.gz	VRTUVZTVMCUSGA-KRWDZBQOSA-N	0	0	446.895	2.141	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1	ZINC000002853520	569423488	/nfs/dbraw/zinc/42/34/88/569423488.db2.gz	QTTHEQNOUINCFJ-INIZCTEOSA-N	0	0	433.442	2.230	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O	ZINC000003312465	569445552	/nfs/dbraw/zinc/44/55/52/569445552.db2.gz	QNSQLSYOASFFFU-NEPJUHHUSA-N	0	0	441.396	2.158	50	5		IEBARN
CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000003442633	569451263	/nfs/dbraw/zinc/45/12/63/569451263.db2.gz	PIIPAQRAUNFKQY-UHFFFAOYSA-N	0	0	429.429	2.420	50	5		IEBARN
COc1cc(-c2nnc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n32)cc(OC)c1OC	ZINC000003639114	569455326	/nfs/dbraw/zinc/45/53/26/569455326.db2.gz	RRZSTGSOKULVAV-PXNMLYILSA-N	0	0	440.437	2.300	50	5		IEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)[C@H](C)Oc1ccccc1	ZINC000031937285	569458430	/nfs/dbraw/zinc/45/84/30/569458430.db2.gz	JXFORTZUUQWKPL-UZGAPFOWSA-N	0	0	446.463	2.258	50	5		IEBARN
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000032091124	569459604	/nfs/dbraw/zinc/45/96/04/569459604.db2.gz	MQZGXDXIOJHCEN-IBGZPJMESA-N	0	0	437.456	2.349	50	5		IEBARN
Cc1c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cccc1[N+](=O)[O-]	ZINC000008725995	569472227	/nfs/dbraw/zinc/47/22/27/569472227.db2.gz	BFUBVQBAANNCBS-UHFFFAOYSA-N	0	0	448.501	2.242	50	5		IEBARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccs1	ZINC000008854736	569479634	/nfs/dbraw/zinc/47/96/34/569479634.db2.gz	PYFJSYVZEOICOH-WQMJKPAKSA-N	0	0	445.478	2.361	50	5		IEBARN
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1CCc1cccs1	ZINC000040050079	569484189	/nfs/dbraw/zinc/48/41/89/569484189.db2.gz	VXDYFOGNFVMAJH-UHFFFAOYSA-N	0	0	428.470	2.461	50	5		IEBARN
COc1cc(C)c([C@@H](C)NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1OC	ZINC000040134350	569490482	/nfs/dbraw/zinc/49/04/82/569490482.db2.gz	DSZYRBXDSMDUDP-GFCCVEGCSA-N	0	0	427.413	2.394	50	5		IEBARN
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000040150109	569493093	/nfs/dbraw/zinc/49/30/93/569493093.db2.gz	SLJUWWHEIVIPTR-HNNXBMFYSA-N	0	0	430.461	2.048	50	5		IEBARN
O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NCc1ccc2c(c1)OCO2	ZINC000009120490	569503916	/nfs/dbraw/zinc/50/39/16/569503916.db2.gz	XHBHZVYEFDNHSY-UHFFFAOYSA-N	0	0	427.413	2.397	50	5		IEBARN
CCCCn1c2nc(COC(=O)c3ccc([N+](=O)[O-])s3)n(CCC)c2c(=O)[nH]c1=O	ZINC000009128443	569505432	/nfs/dbraw/zinc/50/54/32/569505432.db2.gz	KBBYFRROUGWCIE-UHFFFAOYSA-N	0	0	435.462	2.423	50	5		IEBARN
COc1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1	ZINC000009210078	569511649	/nfs/dbraw/zinc/51/16/49/569511649.db2.gz	FAFULRGQWYFJBK-UHFFFAOYSA-N	0	0	446.423	2.259	50	5		IEBARN
O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000009348001	569524419	/nfs/dbraw/zinc/52/44/19/569524419.db2.gz	HVJQWXQIMMIKCN-MANSERQUSA-N	0	0	434.383	2.331	50	5		IEBARN
CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1	ZINC000009380921	569528007	/nfs/dbraw/zinc/52/80/07/569528007.db2.gz	CBZFUNSPWDBXGS-KRWDZBQOSA-N	0	0	438.487	2.077	50	5		IEBARN
CC1=C(C(=O)OCC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)c2c(=O)n(C)c(=O)n(C)c2N1	ZINC000009489369	569539961	/nfs/dbraw/zinc/53/99/61/569539961.db2.gz	RTFIUWJRAWLIDS-INIZCTEOSA-N	0	0	428.445	2.023	50	5		IEBARN
CN(CC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Cl)cc1	ZINC000009510021	569542674	/nfs/dbraw/zinc/54/26/74/569542674.db2.gz	YGPBLHPCUVEYFD-UHFFFAOYSA-N	0	0	441.849	2.051	50	5		IEBARN
CC(C)Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc([N+](=O)[O-])c1)c(=O)n2CC(C)C	ZINC000009647441	569556437	/nfs/dbraw/zinc/55/64/37/569556437.db2.gz	SBTSKVYHPRPRJB-UHFFFAOYSA-N	0	0	442.476	2.219	50	5		IEBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C	ZINC000009667973	569557861	/nfs/dbraw/zinc/55/78/61/569557861.db2.gz	JBLROZGUEBVTMO-UHFFFAOYSA-N	0	0	449.485	2.250	50	5		IEBARN
O=C(CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1F	ZINC000009669892	569558138	/nfs/dbraw/zinc/55/81/38/569558138.db2.gz	IXRXLSPQKGLDQE-UHFFFAOYSA-N	0	0	438.362	2.217	50	5		IEBARN
CNc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)CCc2ccccc2)cc1[N+](=O)[O-]	ZINC000009876522	569572689	/nfs/dbraw/zinc/57/26/89/569572689.db2.gz	KDMFTFFYONYRPQ-HNNXBMFYSA-N	0	0	434.518	2.395	50	5		IEBARN
O=C(OCc1cc(=O)oc2ccc3ccccc3c12)C1=CN2CCS(=O)(=O)N=C2C=C1	ZINC000009988892	569576842	/nfs/dbraw/zinc/57/68/42/569576842.db2.gz	OETLSHMIJBHHAR-UHFFFAOYSA-N	0	0	436.445	2.487	50	5		IEBARN
COc1ccc(OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	ZINC000010109479	569577919	/nfs/dbraw/zinc/57/79/19/569577919.db2.gz	QADIHJPFEPXDLX-UHFFFAOYSA-N	0	0	438.458	2.082	50	5		IEBARN
COc1ccc([C@@H]2c3c(-c4ccc([N+](=O)[O-])cc4)n[nH]c(=O)c3Nc3nnnn32)c(OC)c1	ZINC000010296309	569580584	/nfs/dbraw/zinc/58/05/84/569580584.db2.gz	HXEFYEDAFCWJQE-GOSISDBHSA-N	0	0	448.399	2.456	50	5		IEBARN
O=c1[nH]nc(-c2cccc([N+](=O)[O-])c2)c2c1Nc1nnnn1[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000010296545	569580605	/nfs/dbraw/zinc/58/06/05/569580605.db2.gz	VYQJMUGPVSSMAN-INIZCTEOSA-N	0	0	433.344	2.347	50	5		IEBARN
COc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N3)cc1OC	ZINC000010297148	569580607	/nfs/dbraw/zinc/58/06/07/569580607.db2.gz	HPCBQULGPFFNPK-GOSISDBHSA-N	0	0	448.399	2.456	50	5		IEBARN
O=C1Nc2cc([N+](=O)[O-])ccc2O[C@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000052530437	193926542	/nfs/dbraw/zinc/92/65/42/193926542.db2.gz	BEGNFPMSHJMALC-IBGZPJMESA-N	0	0	427.417	2.415	50	5		IEBARN
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C	ZINC000009220336	132227618	/nfs/dbraw/zinc/22/76/18/132227618.db2.gz	BSVLWUBGSSCMEB-UHFFFAOYSA-N	0	0	448.501	2.242	50	5		IEBARN
CN(C)c1ccc(NC(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	ZINC000009580023	132236342	/nfs/dbraw/zinc/23/63/42/132236342.db2.gz	MNRSSOZXFRATSO-UHFFFAOYSA-N	0	0	428.445	2.293	50	5		IEBARN
Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1	ZINC000004125261	132270567	/nfs/dbraw/zinc/27/05/67/132270567.db2.gz	BUBWVTYXAGGIRL-UHFFFAOYSA-N	0	0	440.500	2.467	50	5		IEBARN
COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000009892714	132331048	/nfs/dbraw/zinc/33/10/48/132331048.db2.gz	RPFMCZLXVYEALY-UHFFFAOYSA-N	0	0	426.429	2.302	50	5		IEBARN
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000009909248	132331563	/nfs/dbraw/zinc/33/15/63/132331563.db2.gz	ZENOWAWGISKSCL-MRXNPFEDSA-N	0	0	441.488	2.329	50	5		IEBARN
COc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)c([N+](=O)[O-])c(OC)c1OC	ZINC000022462530	522105462	/nfs/dbraw/zinc/10/54/62/522105462.db2.gz	NVGIDCRPUGUNIA-UHFFFAOYSA-N	0	0	437.493	2.386	50	5		IEBARN
COc1cc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)c(C)cc1[N+](=O)[O-]	ZINC000012661080	522658067	/nfs/dbraw/zinc/65/80/67/522658067.db2.gz	FWNFQWPUPBNFPH-JOCHJYFZSA-N	0	0	438.440	2.330	50	5		IEBARN
COC(=O)Cn1cc(S(=O)(=O)NCc2cccc(OC)c2)c2cc([N+](=O)[O-])ccc21	ZINC000020558036	523401782	/nfs/dbraw/zinc/40/17/82/523401782.db2.gz	XUWNNESBYQQHMR-UHFFFAOYSA-N	0	0	433.442	2.210	50	5		IEBARN
COc1ccc(NC(=O)CN(C)C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	ZINC000012521914	524488585	/nfs/dbraw/zinc/48/85/85/524488585.db2.gz	SPVFKVRPWMVTJD-UHFFFAOYSA-N	0	0	428.445	2.151	50	5		IEBARN
CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)COc3ccccc3[N+](=O)[O-])ccc21	ZINC000020821440	525173133	/nfs/dbraw/zinc/17/31/33/525173133.db2.gz	WJMOZKRDMMPODT-UHFFFAOYSA-N	0	0	448.453	2.112	50	5		IEBARN
CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)C(=O)NC(C)(C)C	ZINC000021604540	525550679	/nfs/dbraw/zinc/55/06/79/525550679.db2.gz	LWEOWJPELXEQMZ-SWLSCSKDSA-N	0	0	425.507	2.293	50	5		IEBARN
Cc1ccc([C@@H](CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCOCC2)o1	ZINC000012558192	525761597	/nfs/dbraw/zinc/76/15/97/525761597.db2.gz	JOGLPRGGOWRTEV-HXUWFJFHSA-N	0	0	444.488	2.136	50	5		IEBARN
C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1sc2c(c1C(N)=O)CCC2	ZINC000021605566	525891187	/nfs/dbraw/zinc/89/11/87/525891187.db2.gz	LLEQUCQNQLNDRO-QMMMGPOBSA-N	0	0	447.425	2.157	50	5		IEBARN
Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1C	ZINC000012895837	526060394	/nfs/dbraw/zinc/06/03/94/526060394.db2.gz	ISMIYXXCLPCCON-UHFFFAOYSA-N	0	0	446.529	2.298	50	5		IEBARN
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccn3)C[C@@H]12)N1CCSCC1	ZINC000035870920	526569287	/nfs/dbraw/zinc/56/92/87/526569287.db2.gz	SQLKJZYESRBZJX-ICSRJNTNSA-N	0	0	439.541	2.433	50	5		IEBARN
O=C(NC[C@H]1CCCO1)C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCO1	ZINC000012555398	526598041	/nfs/dbraw/zinc/59/80/41/526598041.db2.gz	LPUHJTTZIZDHFA-BIBJDWIQSA-N	0	0	429.473	2.125	50	5		IEBARN
Cn1c2nc3n(cc(-c4ccc([N+](=O)[O-])cc4)n3Cc3ccccc3)c2c(=O)n(C)c1=O	ZINC000009192439	527124354	/nfs/dbraw/zinc/12/43/54/527124354.db2.gz	LPXHFVOWWOFTNI-UHFFFAOYSA-N	0	0	430.424	2.310	50	5		IEBARN
O=[N+]([O-])c1cccc(OC[C@H](O)Cn2c3ccccc3nc2C[C@H]2CCS(=O)(=O)C2)c1	ZINC000012535317	527392230	/nfs/dbraw/zinc/39/22/30/527392230.db2.gz	XCTNYSASHRLSJR-NVXWUHKLSA-N	0	0	445.497	2.362	50	5		IEBARN
O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)NCc1ccccc1	ZINC000012633025	527547510	/nfs/dbraw/zinc/54/75/10/527547510.db2.gz	ATYROXSZCUBLSM-UHFFFAOYSA-N	0	0	431.880	2.396	50	5		IEBARN
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@]32c2cccnc2)C1=O	ZINC000009060915	536320799	/nfs/dbraw/zinc/32/07/99/536320799.db2.gz	SLBSSYXBDLGXSS-QHCPKHFHSA-N	0	0	449.467	2.469	50	5		IEBARN
C[C@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1nc(C(C)(C)C)no1	ZINC000032754360	556323418	/nfs/dbraw/zinc/32/34/18/556323418.db2.gz	HHLJAEYCNGMIAY-LBPRGKRZSA-N	0	0	440.478	2.436	50	5		IEBARN
O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1	ZINC000032845456	556429465	/nfs/dbraw/zinc/42/94/65/556429465.db2.gz	CKFPBCUKYKAOIL-IBGZPJMESA-N	0	0	432.502	2.366	50	5		IEBARN
Cc1ccc2nc3c(cc(C(=O)NC[C@@H]4CCCO4)c(=N)n3Cc3ccccc3)c(=O)n2c1	ZINC000013464897	556506538	/nfs/dbraw/zinc/50/65/38/556506538.db2.gz	SFZKOAVETVXUBY-SFHVURJKSA-N	0	0	443.507	2.394	50	5		IEBARN
CCS(=O)(=O)N1CCC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1	ZINC000032907644	556563381	/nfs/dbraw/zinc/56/33/81/556563381.db2.gz	JBNZFASKORSJFV-UHFFFAOYSA-N	0	0	427.526	2.085	50	5		IEBARN
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1)[C@@H]1CC1[N+](=O)[O-]	ZINC000032932143	556677053	/nfs/dbraw/zinc/67/70/53/556677053.db2.gz	CNPHIWWEWJXFDM-AEFFLSMTSA-N	0	0	447.469	2.104	50	5		IEBARN
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N[C@H]1CCCC[C@H]1O	ZINC000013575010	556698329	/nfs/dbraw/zinc/69/83/29/556698329.db2.gz	BYTZXBUMAKHHJI-RBUKOAKNSA-N	0	0	433.486	2.210	50	5		IEBARN
COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000024307943	556719206	/nfs/dbraw/zinc/71/92/06/556719206.db2.gz	BCERFOJPUUWVRS-UHFFFAOYSA-N	0	0	426.473	2.068	50	5		IEBARN
Cn1c2nc(NCCc3ccccc3)n(Cc3ccc([N+](=O)[O-])cc3)c2c(=O)n(C)c1=O	ZINC000013757868	556727770	/nfs/dbraw/zinc/72/77/70/556727770.db2.gz	MRDYTAAIWFJXRU-UHFFFAOYSA-N	0	0	434.456	2.045	50	5		IEBARN
O=C1[C@@H]2[C@@H]3C[C@@H]([C@H]4ON=C(c5ccc([N+](=O)[O-])cc5)[C@@H]34)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2	ZINC000013811678	556743442	/nfs/dbraw/zinc/74/34/42/556743442.db2.gz	RWCQDYZLCWZEFE-MORHTPAJSA-N	0	0	447.403	2.498	50	5		IEBARN
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3C=CN12	ZINC000247306444	556792319	/nfs/dbraw/zinc/79/23/19/556792319.db2.gz	GUDLRFKUINIPKG-ZJPYXAASSA-N	0	0	438.827	2.485	50	5		IEBARN
CCN(C(=O)COC(=O)c1ccc(Sc2nnnn2C)c([N+](=O)[O-])c1)c1ccccc1	ZINC000003405688	556814457	/nfs/dbraw/zinc/81/44/57/556814457.db2.gz	UFSKDLAIENDHCX-UHFFFAOYSA-N	0	0	442.457	2.479	50	5		IEBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1	ZINC000010680021	557000660	/nfs/dbraw/zinc/00/06/60/557000660.db2.gz	XSDPWAZSRVQTKC-UHFFFAOYSA-N	0	0	445.544	2.096	50	5		IEBARN
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000013958193	557009181	/nfs/dbraw/zinc/00/91/81/557009181.db2.gz	VCRUMLYURBQWSJ-AWEZNQCLSA-N	0	0	435.458	2.022	50	5		IEBARN
O=C(NN1C(=O)[C@@H]2[C@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21)c1ccncc1	ZINC000000658057	557125275	/nfs/dbraw/zinc/12/52/75/557125275.db2.gz	MAQLDDBJABVCRE-QFKVYABISA-N	0	0	440.415	2.007	50	5		IEBARN
CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCc1ccccc1[N+](=O)[O-])n2C	ZINC000024366861	557129893	/nfs/dbraw/zinc/12/98/93/557129893.db2.gz	FHXNJGQEYKKGHD-UHFFFAOYSA-N	0	0	446.485	2.408	50	5		IEBARN
CN(C)c1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1[N+](=O)[O-]	ZINC000011450196	557149057	/nfs/dbraw/zinc/14/90/57/557149057.db2.gz	VGNUHOZPWMDUQE-UHFFFAOYSA-N	0	0	438.531	2.305	50	5		IEBARN
COCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000100872731	557195688	/nfs/dbraw/zinc/19/56/88/557195688.db2.gz	NPFASHCMLPQLFJ-HNENSFHCSA-N	0	0	435.483	2.402	50	5		IEBARN
CCOC(=O)Cn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)[C@@H]1COc2ccccc2O1	ZINC000100877342	557195763	/nfs/dbraw/zinc/19/57/63/557195763.db2.gz	GZOQETDYNFGXCF-JHBCHSCWSA-N	0	0	443.437	2.441	50	5		IEBARN
CC(C)OCCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c1nc1ccccn1c2=O	ZINC000101072326	557224938	/nfs/dbraw/zinc/22/49/38/557224938.db2.gz	POVLSUCVTCOAAS-UHFFFAOYSA-N	0	0	446.511	2.269	50	5		IEBARN
O=c1oc(=O)c2c(Br)cc3c(=O)oc(=O)c4c(Br)cc1c2c34	ZINC000100056258	557238794	/nfs/dbraw/zinc/23/87/94/557238794.db2.gz	FEDCHNPLDKDTNS-UHFFFAOYSA-N	0	0	425.972	2.174	50	5		IEBARN
CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000026537758	557243822	/nfs/dbraw/zinc/24/38/22/557243822.db2.gz	SJROOONPNIXYSV-QGZVFWFLSA-N	0	0	446.895	2.141	50	5		IEBARN
COCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCc2ccccc2)c1=N	ZINC000100627200	557266396	/nfs/dbraw/zinc/26/63/96/557266396.db2.gz	DJVGDXAVAIHRHO-UHFFFAOYSA-N	0	0	445.523	2.446	50	5		IEBARN
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1	ZINC000000831308	557278107	/nfs/dbraw/zinc/27/81/07/557278107.db2.gz	DHXNYPUSFZPJSV-GTVARFKMSA-N	0	0	435.461	2.316	50	5		IEBARN
C[C@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC000014254810	557329346	/nfs/dbraw/zinc/32/93/46/557329346.db2.gz	WPYRTTJJYBLSBZ-JSGCOSHPSA-N	0	0	426.491	2.083	50	5		IEBARN
Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1[N+](=O)[O-]	ZINC000023885589	557377103	/nfs/dbraw/zinc/37/71/03/557377103.db2.gz	DZGKEHXPYYRVHB-CYBMUJFWSA-N	0	0	435.458	2.338	50	5		IEBARN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cc(OC)c([N+](=O)[O-])cc4C)C(O)=C23)c(OC)c1	ZINC000104055343	557449805	/nfs/dbraw/zinc/44/98/05/557449805.db2.gz	JGXZBCCQCYRVOJ-IEBWSBKVSA-N	0	0	441.396	2.222	50	5		IEBARN
C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000104214730	557452725	/nfs/dbraw/zinc/45/27/25/557452725.db2.gz	IJVDAFHWQGJMMF-IMIFBBOLSA-N	0	0	449.847	2.458	50	5		IEBARN
CCN(CC)S(=O)(=O)c1ccc(OCc2cc(=O)n3ccsc3n2)c([N+](=O)[O-])c1	ZINC000025063097	557860664	/nfs/dbraw/zinc/86/06/64/557860664.db2.gz	UPUCSKFXCZHHLS-UHFFFAOYSA-N	0	0	438.487	2.274	50	5		IEBARN
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000009139664	562967819	/nfs/dbraw/zinc/96/78/19/562967819.db2.gz	FFAXJIPTYQVRRQ-UHFFFAOYSA-N	0	0	437.449	2.326	50	5		IEBARN
CC[C@H](C)N(C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000009352503	562969540	/nfs/dbraw/zinc/96/95/40/562969540.db2.gz	YKCJNIKIAAUQHL-DZGCQCFKSA-N	0	0	444.531	2.044	50	5		IEBARN
O=C(CNc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000010037214	562978343	/nfs/dbraw/zinc/97/83/43/562978343.db2.gz	FJNMHHNXYIZXRG-UHFFFAOYSA-N	0	0	438.893	2.193	50	5		IEBARN
Cc1cc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)no1	ZINC000025135558	568638059	/nfs/dbraw/zinc/63/80/59/568638059.db2.gz	CLYZUGIEEXVATO-UHFFFAOYSA-N	0	0	436.490	2.259	50	5		IEBARN
Cc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000000941674	568641603	/nfs/dbraw/zinc/64/16/03/568641603.db2.gz	FVESBXLIPIVXIV-UHFFFAOYSA-N	0	0	431.788	2.335	50	5		IEBARN
CCOC(=O)c1cccc(Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])c1	ZINC000015165436	568731878	/nfs/dbraw/zinc/73/18/78/568731878.db2.gz	HXNARDKOHVIWMS-UHFFFAOYSA-N	0	0	449.485	2.500	50	5		IEBARN
O=C(NCCCc1ccccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000012937201	568866063	/nfs/dbraw/zinc/86/60/63/568866063.db2.gz	GQBYCGUMGWFVCR-UHFFFAOYSA-N	0	0	432.502	2.244	50	5		IEBARN
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000016046007	568867968	/nfs/dbraw/zinc/86/79/68/568867968.db2.gz	WHQHEGZPNNPYBG-NSHDSACASA-N	0	0	440.405	2.011	50	5		IEBARN
COCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000001901060	568918332	/nfs/dbraw/zinc/91/83/32/568918332.db2.gz	UFVWGTSFJGDRKY-UGKGYDQZSA-N	0	0	434.452	2.407	50	5	biogenic	IEBARN
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000089573911	568937912	/nfs/dbraw/zinc/93/79/12/568937912.db2.gz	RWTCDEKLHBMWBX-AWEZNQCLSA-N	0	0	436.465	2.067	50	5		IEBARN
COCCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036253098	568984278	/nfs/dbraw/zinc/98/42/78/568984278.db2.gz	SFUZAAPVVLAVQO-HXUWFJFHSA-N	0	0	432.521	2.064	50	5		IEBARN
O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1Cl	ZINC000036408688	569103376	/nfs/dbraw/zinc/10/33/76/569103376.db2.gz	OEPKGHQUFOGQFS-UHFFFAOYSA-N	0	0	438.893	2.193	50	5		IEBARN
Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](CN2CCOCC2)C1	ZINC000170603729	569143695	/nfs/dbraw/zinc/14/36/95/569143695.db2.gz	HIODWICRIXBPOE-CYBMUJFWSA-N	0	0	448.339	2.009	50	5		IEBARN
C/C(Cl)=C/Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000010386038	569154570	/nfs/dbraw/zinc/15/45/70/569154570.db2.gz	RLTKLDZZPXDTCV-YFHOEESVSA-N	0	0	449.876	2.449	50	5		IEBARN
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000089807685	569165135	/nfs/dbraw/zinc/16/51/35/569165135.db2.gz	RNBHJRJCRIPTMH-PBHICJAKSA-N	0	0	442.472	2.285	50	5		IEBARN
NS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1	ZINC000442995724	569165894	/nfs/dbraw/zinc/16/58/94/569165894.db2.gz	UUTLKQNPJVCVRK-NSHDSACASA-N	0	0	435.452	2.100	50	5		IEBARN
Cc1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)cc1	ZINC000252593806	569192826	/nfs/dbraw/zinc/19/28/26/569192826.db2.gz	BMFUCMFNLSRSRF-ISJRUSPKSA-N	0	0	433.420	2.146	50	5		IEBARN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@H](C(=O)Nc3ccccc3)[C@H]2C1=O	ZINC000198218501	569209285	/nfs/dbraw/zinc/20/92/85/569209285.db2.gz	AWYOOIYUHHQJBN-MUGJNUQGSA-N	0	0	445.435	2.256	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3N=CC=C[C@H]23)C1O	ZINC000253486969	569283072	/nfs/dbraw/zinc/28/30/72/569283072.db2.gz	BQZZHVMILDBJOU-TTYHFUOFSA-N	0	0	446.419	2.200	50	5		IEBARN
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1	ZINC000009494218	569296835	/nfs/dbraw/zinc/29/68/35/569296835.db2.gz	DHXNYPUSFZPJSV-XYSGSMRZSA-N	0	0	435.461	2.316	50	5		IEBARN
Cc1nn(CC(=O)NCCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)c(C)c1[N+](=O)[O-]	ZINC000009633392	569297412	/nfs/dbraw/zinc/29/74/12/569297412.db2.gz	WOGFAXFJWQPHLH-DHDCSXOGSA-N	0	0	447.448	2.400	50	5		IEBARN
COc1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1	ZINC000009846938	569298304	/nfs/dbraw/zinc/29/83/04/569298304.db2.gz	QGGLYYLNWFHERH-INIZCTEOSA-N	0	0	433.442	2.230	50	5		IEBARN
Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1N1C(=O)CNC1=O	ZINC000225439277	569300627	/nfs/dbraw/zinc/30/06/27/569300627.db2.gz	BFGHANKSDCOJON-UHFFFAOYSA-N	0	0	439.428	2.048	50	5		IEBARN
Cc1cccc(NC(=O)CNC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c1C	ZINC000012987151	569305668	/nfs/dbraw/zinc/30/56/68/569305668.db2.gz	VRECTFXKTJHMPD-UHFFFAOYSA-N	0	0	435.440	2.434	50	5		IEBARN
O=C(Cn1nnc(-c2cccc(Cl)c2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000019535162	569320729	/nfs/dbraw/zinc/32/07/29/569320729.db2.gz	ZVIYPZKIAQYQMI-UHFFFAOYSA-N	0	0	427.852	2.251	50	5		IEBARN
O=C1OCC[C@@H]1N1CCC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000095437067	569366597	/nfs/dbraw/zinc/36/65/97/569366597.db2.gz	MFYOTZFFKGXAQA-ZDUSSCGKSA-N	0	0	437.396	2.080	50	5		IEBARN
Cc1nn(C)c(N2CCN(CCCOc3ccc4ccc(=O)oc4c3)CC2)c1[N+](=O)[O-]	ZINC000096028212	569380961	/nfs/dbraw/zinc/38/09/61/569380961.db2.gz	NCQBQRXXKOVITD-UHFFFAOYSA-N	0	0	427.461	2.334	50	5		IEBARN
CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)N[C@H](C)CC)nn1C	ZINC000096203483	569386286	/nfs/dbraw/zinc/38/62/86/569386286.db2.gz	LVUURCXAEPDHNI-GFCCVEGCSA-N	0	0	439.494	2.337	50	5		IEBARN
CCCNC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NCC(C)C)n(C)n1	ZINC000096203889	569386503	/nfs/dbraw/zinc/38/65/03/569386503.db2.gz	VKPMKZHMBCHFDT-UHFFFAOYSA-N	0	0	439.494	2.195	50	5		IEBARN
CC(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)N2CCCC2)nn1C	ZINC000096278818	569389188	/nfs/dbraw/zinc/38/91/88/569389188.db2.gz	WXNAWFQIFUFZTG-UHFFFAOYSA-N	0	0	437.478	2.043	50	5		IEBARN
CC(C)CNC(=O)Cn1c2cc(Cl)ccc2c(=O)n(-c2cccc([N+](=O)[O-])c2)c1=O	ZINC000096317831	569392286	/nfs/dbraw/zinc/39/22/86/569392286.db2.gz	DLKQNOPSDDQOFZ-UHFFFAOYSA-N	0	0	430.848	2.486	50	5		IEBARN
Cc1ccc2c(c1)c(=O)n(-c1cccc([N+](=O)[O-])c1)c(=O)n2CC(=O)NCc1ccccn1	ZINC000096318084	569393750	/nfs/dbraw/zinc/39/37/50/569393750.db2.gz	ZMQGQAFEVQYYJT-UHFFFAOYSA-N	0	0	445.435	2.080	50	5		IEBARN
CN(C)c1n[nH]c(C2CCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])CC2)n1	ZINC000225812995	569409088	/nfs/dbraw/zinc/40/90/88/569409088.db2.gz	KFFCYXZITMZAPR-UHFFFAOYSA-N	0	0	448.427	2.456	50	5		IEBARN
CCOC(=O)c1cccc(COC(=O)CNS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1	ZINC000002862461	569423623	/nfs/dbraw/zinc/42/36/23/569423623.db2.gz	ZMAZPLOVIOAKBF-UHFFFAOYSA-N	0	0	436.442	2.102	50	5		IEBARN
CCOC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000002871430	569423722	/nfs/dbraw/zinc/42/37/22/569423722.db2.gz	ZTBSXRKQIXLYFX-GXFFZTMASA-N	0	0	447.469	2.164	50	5		IEBARN
C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2C1	ZINC000003355804	569447652	/nfs/dbraw/zinc/44/76/52/569447652.db2.gz	SQCWWWMQLCLTLO-ZDUSSCGKSA-N	0	0	432.454	2.129	50	5		IEBARN
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000031295778	569455588	/nfs/dbraw/zinc/45/55/88/569455588.db2.gz	GRMLRLNDUHYSLH-KQPPXVQYSA-N	0	0	438.484	2.470	50	5		IEBARN
C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCS(=O)(=O)c2ccc(Cl)cc2)C1=O	ZINC000031661712	569456950	/nfs/dbraw/zinc/45/69/50/569456950.db2.gz	VNJIDUUYATZATP-GOSISDBHSA-N	0	0	437.861	2.489	50	5		IEBARN
CC(C)[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O	ZINC000004008905	569457966	/nfs/dbraw/zinc/45/79/66/569457966.db2.gz	IPJWKCLBWAIBPY-ITOHMHRPSA-N	0	0	428.441	2.376	50	5		IEBARN
CCOC(=O)C1=C2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@]2(c2ccc(C)cc2)NN1	ZINC000008451726	569465094	/nfs/dbraw/zinc/46/50/94/569465094.db2.gz	YQMVOTIGEYKEQU-JTSKRJEESA-N	0	0	436.424	2.119	50	5		IEBARN
Cc1nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1S(=O)(=O)N1CCC[C@H](C)C1	ZINC000008755339	569473980	/nfs/dbraw/zinc/47/39/80/569473980.db2.gz	LJFJXOBANBWHJD-LBPRGKRZSA-N	0	0	442.519	2.066	50	5		IEBARN
Cc1nn(Cn2ccc(C(=O)Nc3cnn(COCC(F)(F)F)c3)n2)c(C)c1[N+](=O)[O-]	ZINC000008782571	569475823	/nfs/dbraw/zinc/47/58/23/569475823.db2.gz	BMELHZKQJWZPQY-UHFFFAOYSA-N	0	0	442.358	2.096	50	5		IEBARN
CCCN(C[C@H]1COc2ccccc2O1)C(=O)COC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000039983556	569482261	/nfs/dbraw/zinc/48/22/61/569482261.db2.gz	SSGSSRHFKCZPBU-INIZCTEOSA-N	0	0	446.460	2.030	50	5		IEBARN
COc1cc(C)c([C@H](C)NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1OC	ZINC000040134351	569490486	/nfs/dbraw/zinc/49/04/86/569490486.db2.gz	DSZYRBXDSMDUDP-LBPRGKRZSA-N	0	0	427.413	2.394	50	5		IEBARN
O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])Nc1cccnc1Cl	ZINC000009052318	569498721	/nfs/dbraw/zinc/49/87/21/569498721.db2.gz	WFEXOXHYAXZRAM-UHFFFAOYSA-N	0	0	440.865	2.445	50	5		IEBARN
CN(Cc1cccs1)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000009127620	569505222	/nfs/dbraw/zinc/50/52/22/569505222.db2.gz	AANBSIZHYCFMRD-UHFFFAOYSA-N	0	0	439.515	2.478	50	5		IEBARN
Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c([N+](=O)[O-])c1	ZINC000009509962	569542721	/nfs/dbraw/zinc/54/27/21/569542721.db2.gz	JGYPVKOWROYRKF-UHFFFAOYSA-N	0	0	430.373	2.032	50	5		IEBARN
COc1cc(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000009544852	569546031	/nfs/dbraw/zinc/54/60/31/569546031.db2.gz	RMBGTDYDXNZKQE-UHFFFAOYSA-N	0	0	441.396	2.080	50	5		IEBARN
Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)nc2n1	ZINC000009561709	569547155	/nfs/dbraw/zinc/54/71/55/569547155.db2.gz	ILHXDTUUACEEMC-UHFFFAOYSA-N	0	0	449.221	2.207	50	5		IEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1	ZINC000009634406	569554472	/nfs/dbraw/zinc/55/44/72/569554472.db2.gz	DIDAAGWHZZMFNF-CLCOLTQESA-N	0	0	447.407	2.012	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000009667763	569557835	/nfs/dbraw/zinc/55/78/35/569557835.db2.gz	KSUXZSLHLQEUKF-UHFFFAOYSA-N	0	0	435.458	2.185	50	5		IEBARN
CN(C)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1[N+](=O)[O-]	ZINC000009924057	569573519	/nfs/dbraw/zinc/57/35/19/569573519.db2.gz	BSKJPUFXTSOTJH-UHFFFAOYSA-N	0	0	426.429	2.349	50	5		IEBARN
O=C(NCCOCCNC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000009971413	569576299	/nfs/dbraw/zinc/57/62/99/569576299.db2.gz	WMAASRPTVWGLLI-UHFFFAOYSA-N	0	0	432.393	2.463	50	5		IEBARN
COc1ccc(OC)c([C@H]2c3c(-c4ccc([N+](=O)[O-])cc4)n[nH]c(=O)c3Nc3nnnn32)c1	ZINC000010296329	569580583	/nfs/dbraw/zinc/58/05/83/569580583.db2.gz	IHTRKTUZWGJSQW-SFHVURJKSA-N	0	0	448.399	2.456	50	5		IEBARN
COc1ccc(OC)c([C@@H]2c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c(=O)c3Nc3nnnn32)c1	ZINC000010296640	569580599	/nfs/dbraw/zinc/58/05/99/569580599.db2.gz	IRQZKKNNNDBJMP-GOSISDBHSA-N	0	0	448.399	2.456	50	5		IEBARN
COc1ccc([C@@H]2c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c(=O)c3Nc3nnnn32)cc1OC	ZINC000010296617	569580603	/nfs/dbraw/zinc/58/06/03/569580603.db2.gz	AZKBVSQEIOPQFI-GOSISDBHSA-N	0	0	448.399	2.456	50	5		IEBARN
CCOC(=O)c1cnc(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)nc1N	ZINC000010378008	569581605	/nfs/dbraw/zinc/58/16/05/569581605.db2.gz	BKFFSLGKKFFSNI-UHFFFAOYSA-N	0	0	449.445	2.036	50	5		IEBARN
COc1ccc(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1	ZINC000009846939	193905093	/nfs/dbraw/zinc/90/50/93/193905093.db2.gz	QGGLYYLNWFHERH-MRXNPFEDSA-N	0	0	433.442	2.230	50	5		IEBARN
NS(=O)(=O)c1ccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c43)C2=O)cc1	ZINC000003044979	132260918	/nfs/dbraw/zinc/26/09/18/132260918.db2.gz	QKFIRDWLZANQLU-UHFFFAOYSA-N	0	0	442.365	2.104	50	5		IEBARN
C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)NC(=O)c3cccn3C)cc2[N+](=O)[O-])C1	ZINC000009509926	132319955	/nfs/dbraw/zinc/31/99/55/132319955.db2.gz	YAEYGEODKWDTEM-CQSZACIVSA-N	0	0	428.445	2.283	50	5		IEBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccc(N3CCCCC3)nn2)CC1	ZINC000011025980	132337076	/nfs/dbraw/zinc/33/70/76/132337076.db2.gz	UTMCQQFMGOQAES-UHFFFAOYSA-N	0	0	446.533	2.194	50	5		IEBARN
O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2	ZINC000013778592	132354525	/nfs/dbraw/zinc/35/45/25/132354525.db2.gz	KXQOSYRYJJHMEJ-UHFFFAOYSA-N	0	0	428.397	2.242	50	5		IEBARN
CN(C)S(=O)(=O)c1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1	ZINC000012643165	521996064	/nfs/dbraw/zinc/99/60/64/521996064.db2.gz	XKSCEGIHWGRUQX-UHFFFAOYSA-N	0	0	449.485	2.039	50	5		IEBARN
COC(=O)CCCNC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000012929115	523027389	/nfs/dbraw/zinc/02/73/89/523027389.db2.gz	FLWDANSEFYLVDO-UHFFFAOYSA-N	0	0	436.442	2.354	50	5		IEBARN
COc1ccc(-n2c(CN3CCOCC3)nc3ccc([N+](=O)[O-])cc3c2=O)c(OC)c1	ZINC000012471023	523316909	/nfs/dbraw/zinc/31/69/09/523316909.db2.gz	VYGAWPAOVMCEQL-UHFFFAOYSA-N	0	0	426.429	2.143	50	5		IEBARN
Cc1ccc(CN(C)C(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1	ZINC000012931754	524366003	/nfs/dbraw/zinc/36/60/03/524366003.db2.gz	SEOCLEXIRQVDAL-UHFFFAOYSA-N	0	0	431.470	2.296	50	5		IEBARN
COc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@@H]34)C2O)cc1	ZINC000253487400	524397577	/nfs/dbraw/zinc/39/75/77/524397577.db2.gz	JTJHWDOEXZKJBA-MUGJNUQGSA-N	0	0	446.419	2.200	50	5		IEBARN
C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1	ZINC000012642797	525329950	/nfs/dbraw/zinc/32/99/50/525329950.db2.gz	RUFMJCWSUSTKLQ-CQSZACIVSA-N	0	0	433.486	2.326	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3N=CC=C[C@H]23)C1O	ZINC000017836255	525465079	/nfs/dbraw/zinc/46/50/79/525465079.db2.gz	BQZZHVMILDBJOU-XFWGSAIBSA-N	0	0	446.419	2.200	50	5		IEBARN
Cc1ccc(S(=O)(=O)NCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1C	ZINC000020822827	525564217	/nfs/dbraw/zinc/56/42/17/525564217.db2.gz	GNXHIDFETGWNSR-UHFFFAOYSA-N	0	0	436.442	2.100	50	5		IEBARN
Cc1nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1S(=O)(=O)N1CCCCCC1	ZINC000020604588	526299841	/nfs/dbraw/zinc/29/98/41/526299841.db2.gz	YVQLPBYNUFUORF-UHFFFAOYSA-N	0	0	442.519	2.210	50	5		IEBARN
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12)N1CCOCC1	ZINC000035870949	526569051	/nfs/dbraw/zinc/56/90/51/526569051.db2.gz	ABRGKVRTSDYFSR-UNMCSNQZSA-N	0	0	440.475	2.460	50	5		IEBARN
O=C(COC(=O)CNC(=O)c1ccc(Br)cc1)Nc1ccccc1[N+](=O)[O-]	ZINC000012532740	526908587	/nfs/dbraw/zinc/90/85/87/526908587.db2.gz	KGZTUDSCZIBNKF-UHFFFAOYSA-N	0	0	436.218	2.269	50	5		IEBARN
O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2c3ccccc3nc2C[C@H]2CCS(=O)(=O)C2)c1	ZINC000012535318	527391871	/nfs/dbraw/zinc/39/18/71/527391871.db2.gz	XCTNYSASHRLSJR-WBVHZDCISA-N	0	0	445.497	2.362	50	5		IEBARN
O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000012591012	527428707	/nfs/dbraw/zinc/42/87/07/527428707.db2.gz	YDZCLWKAJLQGGC-UHFFFAOYSA-N	0	0	445.842	2.390	50	5		IEBARN
COc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)cc1	ZINC000009519964	536713480	/nfs/dbraw/zinc/71/34/80/536713480.db2.gz	ROGCYIXMFZEUSD-MRXNPFEDSA-N	0	0	439.472	2.241	50	5		IEBARN
COCCN1CCn2c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3nc2C1	ZINC000032581196	556404802	/nfs/dbraw/zinc/40/48/02/556404802.db2.gz	NFKXGGBQWXRMKU-UHFFFAOYSA-N	0	0	425.445	2.424	50	5		IEBARN
COc1cc2c(cc1OC)CN(C(=O)Cn1cc(Br)c([N+](=O)[O-])n1)CC2	ZINC000059741009	556413889	/nfs/dbraw/zinc/41/38/89/556413889.db2.gz	WWHXOUHRRBREMD-UHFFFAOYSA-N	0	0	425.239	2.156	50	5		IEBARN
CC(C)CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCS(=O)(=O)C1	ZINC000011028957	556444284	/nfs/dbraw/zinc/44/42/84/556444284.db2.gz	XXMAWAVFVOHNSD-CYBMUJFWSA-N	0	0	432.882	2.077	50	5		IEBARN
COCCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c1nc1ccc(C)cn1c2=O	ZINC000013464947	556506810	/nfs/dbraw/zinc/50/68/10/556506810.db2.gz	BVCKUPDSFVXSPP-UHFFFAOYSA-N	0	0	431.496	2.404	50	5		IEBARN
COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C)c(C)c3)CC2)cc1[N+](=O)[O-]	ZINC000032978752	556600937	/nfs/dbraw/zinc/60/09/37/556600937.db2.gz	VMCUKCYICWPZJI-UHFFFAOYSA-N	0	0	447.513	2.296	50	5		IEBARN
COc1ccccc1-n1ccc2nc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O	ZINC000038829007	556620796	/nfs/dbraw/zinc/62/07/96/556620796.db2.gz	LDWZTWPCKBKSOQ-UHFFFAOYSA-N	0	0	432.480	2.041	50	5		IEBARN
COC(=O)c1cc2c(nc3ccccn3c2=O)n(CCc2ccc(OC)c(OC)c2)c1=N	ZINC000100752833	556662987	/nfs/dbraw/zinc/66/29/87/556662987.db2.gz	SQJUIDLHECTVEB-UHFFFAOYSA-N	0	0	434.452	2.175	50	5	biogenic	IEBARN
O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000011226351	556875682	/nfs/dbraw/zinc/87/56/82/556875682.db2.gz	FDHDARSZWNIXTD-UHFFFAOYSA-N	0	0	439.877	2.199	50	5		IEBARN
COc1ccc([C@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)N2CCOCC2)cc1	ZINC000023107565	557002174	/nfs/dbraw/zinc/00/21/74/557002174.db2.gz	UVKZKUYWXCUXJQ-FQEVSTJZSA-N	0	0	442.472	2.040	50	5		IEBARN
CCCN(CC(=O)N(C)C)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000048308781	557059624	/nfs/dbraw/zinc/05/96/24/557059624.db2.gz	YLCHTUHUXFQBFZ-HNNXBMFYSA-N	0	0	426.539	2.320	50	5		IEBARN
CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)c1ccccc1N(Cc1ccc([N+](=O)[O-])cc1)C2=O	ZINC000049947109	557118852	/nfs/dbraw/zinc/11/88/52/557118852.db2.gz	ZJXNAJBJUSUUQH-HXUWFJFHSA-N	0	0	439.453	2.297	50	5		IEBARN
Cc1nn(Cc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)o2)c(C)c1[N+](=O)[O-]	ZINC000000656468	557125495	/nfs/dbraw/zinc/12/54/95/557125495.db2.gz	VBEGDYOIYWHPHY-UHFFFAOYSA-N	0	0	427.417	2.241	50	5		IEBARN
COC[C@H](C)NS(=O)(=O)c1ccc(NCC[C@@H]2C(=O)Nc3ccccc32)c([N+](=O)[O-])c1	ZINC000023258335	557141668	/nfs/dbraw/zinc/14/16/68/557141668.db2.gz	GUSJOSHTRREEDO-BBRMVZONSA-N	0	0	448.501	2.446	50	5		IEBARN
COc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@@H]34)C2O)cc1	ZINC000018045273	557234554	/nfs/dbraw/zinc/23/45/54/557234554.db2.gz	JTJHWDOEXZKJBA-LWYYNNOASA-N	0	0	446.419	2.200	50	5		IEBARN
COCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCCOC(C)C)c1=N	ZINC000101086691	557236269	/nfs/dbraw/zinc/23/62/69/557236269.db2.gz	URHBAJGVMRSMJQ-UHFFFAOYSA-N	0	0	441.532	2.018	50	5		IEBARN
COCCCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c1nc1c(C)cccn1c2=O	ZINC000100628026	557266655	/nfs/dbraw/zinc/26/66/55/557266655.db2.gz	LCUGVFWVQGJVFI-UHFFFAOYSA-N	0	0	445.523	2.446	50	5		IEBARN
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000000831302	557278076	/nfs/dbraw/zinc/27/80/76/557278076.db2.gz	SMLFIGCFFGPMEB-LYPXWFNGSA-N	0	0	435.461	2.316	50	5		IEBARN
C[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000014242320	557327763	/nfs/dbraw/zinc/32/77/63/557327763.db2.gz	GPUWBIMJVSAUNJ-HNNXBMFYSA-N	0	0	433.461	2.274	50	5		IEBARN
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)s3)CC2)cc1[N+](=O)[O-]	ZINC000014242858	557328099	/nfs/dbraw/zinc/32/80/99/557328099.db2.gz	IESXOVUFDYLBCP-UHFFFAOYSA-N	0	0	425.488	2.120	50	5		IEBARN
COc1ccc(/C=C\C(=O)N[C@H](C)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000103277394	557434741	/nfs/dbraw/zinc/43/47/41/557434741.db2.gz	GRMLRLNDUHYSLH-QJWNTBNXSA-N	0	0	438.484	2.470	50	5		IEBARN
COc1cc(CCNC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)c([N+](=O)[O-])cc1OC	ZINC000046875248	557513009	/nfs/dbraw/zinc/51/30/09/557513009.db2.gz	QEFYWOCJFNUIEB-UHFFFAOYSA-N	0	0	441.444	2.037	50	5		IEBARN
CCOC(=O)C1=C(COc2cccnc2[N+](=O)[O-])NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000018532897	557833979	/nfs/dbraw/zinc/83/39/79/557833979.db2.gz	GIYUQMSRGNWSPC-KRWDZBQOSA-N	0	0	428.401	2.249	50	5		IEBARN
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](Nc1ncccn1)C(Cl)(Cl)Cl	ZINC000008434967	560208921	/nfs/dbraw/zinc/20/89/21/560208921.db2.gz	ZEXHXVOGJFGTRX-SNVBAGLBSA-N	0	0	438.659	2.424	50	5	in-vitro	IEBARN
N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1	ZINC000000702671	562919029	/nfs/dbraw/zinc/91/90/29/562919029.db2.gz	YOBPVVQQTXGMLH-OAHLLOKOSA-N	0	0	436.493	2.140	50	5	aggregator	IEBARN
COc1ccc(C(=S)N2CCOCC2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000002986494	562931415	/nfs/dbraw/zinc/93/14/15/562931415.db2.gz	BMOBMBIFXACZJK-UHFFFAOYSA-N	0	0	438.483	2.379	50	5		IEBARN
COc1cc(C(=S)N2CCOCC2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000002986581	562931475	/nfs/dbraw/zinc/93/14/75/562931475.db2.gz	BXDCMNUEFXIVKM-UHFFFAOYSA-N	0	0	438.483	2.379	50	5		IEBARN
CC(C)c1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000008611749	562958720	/nfs/dbraw/zinc/95/87/20/562958720.db2.gz	KLTHVMCYMJJMEQ-UHFFFAOYSA-N	0	0	443.485	2.395	50	5		IEBARN
COc1cc(NC(=O)COC(=O)CNC(=O)c2cc(C)cc(C)c2)c(C)cc1[N+](=O)[O-]	ZINC000008685111	562962288	/nfs/dbraw/zinc/96/22/88/562962288.db2.gz	LUVYRXRKAKBZEV-UHFFFAOYSA-N	0	0	429.429	2.440	50	5		IEBARN
COCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000008710322	562963800	/nfs/dbraw/zinc/96/38/00/562963800.db2.gz	BYZSDPHEZMQRRQ-GOSISDBHSA-N	0	0	432.458	2.290	50	5		IEBARN
COc1cccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]2CCS(=O)(=O)C2)c1	ZINC000008917337	562966090	/nfs/dbraw/zinc/96/60/90/562966090.db2.gz	BGTWWUHTEBPNJX-INIZCTEOSA-N	0	0	434.470	2.198	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000013005596	562983978	/nfs/dbraw/zinc/98/39/78/562983978.db2.gz	GDQHJSNLHJGZKO-STQMWFEESA-N	0	0	431.401	2.115	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000013005595	562983989	/nfs/dbraw/zinc/98/39/89/562983989.db2.gz	GDQHJSNLHJGZKO-OLZOCXBDSA-N	0	0	431.401	2.115	50	5		IEBARN
COc1ccc(S(=O)(=O)CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000015936782	563018983	/nfs/dbraw/zinc/01/89/83/563018983.db2.gz	PTWHSMYOXXAYCI-UHFFFAOYSA-N	0	0	433.486	2.116	50	5		IEBARN
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1cccc([N+](=O)[O-])c1	ZINC000019866590	563023254	/nfs/dbraw/zinc/02/32/54/563023254.db2.gz	DKUDHLFHAFDRKU-UHFFFAOYSA-N	0	0	434.445	2.209	50	5		IEBARN
COc1cc(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc(OC)c1	ZINC000036321447	563092738	/nfs/dbraw/zinc/09/27/38/563092738.db2.gz	CSZQMZOIBDWWHS-UHFFFAOYSA-N	0	0	436.490	2.292	50	5		IEBARN
CCc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000095393632	563180615	/nfs/dbraw/zinc/18/06/15/563180615.db2.gz	JLSCVSBTOPSDAL-UHFFFAOYSA-N	0	0	439.516	2.030	50	5		IEBARN
O=C(COc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000000899650	568635310	/nfs/dbraw/zinc/63/53/10/568635310.db2.gz	ULGVMBCUVRSZOK-UHFFFAOYSA-N	0	0	439.877	2.160	50	5		IEBARN
COc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1[N+](=O)[O-]	ZINC000015357398	568758503	/nfs/dbraw/zinc/75/85/03/568758503.db2.gz	HKHBJHVQWHGUFW-UHFFFAOYSA-N	0	0	435.506	2.336	50	5		IEBARN
CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000078241528	568760805	/nfs/dbraw/zinc/76/08/05/568760805.db2.gz	MRWUUMFMFQQIOG-UHFFFAOYSA-N	0	0	448.501	2.302	50	5		IEBARN
C[C@@H](OC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000229460825	568782170	/nfs/dbraw/zinc/78/21/70/568782170.db2.gz	QAAFXXJJKNVMMM-RFQIPJPRSA-N	0	0	431.445	2.016	50	5		IEBARN
CCN(CC)S(=O)(=O)c1ccc(N2CCCN(c3cccnn3)CC2)c([N+](=O)[O-])c1	ZINC000084773628	568801350	/nfs/dbraw/zinc/80/13/50/568801350.db2.gz	AOEDUOIBZBSVSI-UHFFFAOYSA-N	0	0	434.522	2.132	50	5		IEBARN
CS(=O)(=O)c1ccc(SCC(=O)N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000001475733	568823276	/nfs/dbraw/zinc/82/32/76/568823276.db2.gz	LUSTYASUFZVXKI-UHFFFAOYSA-N	0	0	435.527	2.439	50	5		IEBARN
COCCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c1nc1c(C)cccn1c2=O	ZINC000100633101	568837018	/nfs/dbraw/zinc/83/70/18/568837018.db2.gz	RHALDMDMBKKXDS-UHFFFAOYSA-N	0	0	438.509	2.225	50	5		IEBARN
Cc1c(NC(=O)C(F)(F)F)ccc2nc3c(nc12)[nH]c(=O)n(Cc1ccccc1)c3=O	ZINC000016249930	568874973	/nfs/dbraw/zinc/87/49/73/568874973.db2.gz	IVCFQQXSKGUMDO-UHFFFAOYSA-N	0	0	429.358	2.491	50	5		IEBARN
COCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000001901057	568918394	/nfs/dbraw/zinc/91/83/94/568918394.db2.gz	UFVWGTSFJGDRKY-DENIHFKCSA-N	0	0	434.452	2.407	50	5		IEBARN
COCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000001901059	568918443	/nfs/dbraw/zinc/91/84/43/568918443.db2.gz	UFVWGTSFJGDRKY-KNQAVFIVSA-N	0	0	434.452	2.407	50	5		IEBARN
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3[N+](=O)[O-])c2)CC1	ZINC000036245423	568981458	/nfs/dbraw/zinc/98/14/58/568981458.db2.gz	MORVLMBDABSUTK-UHFFFAOYSA-N	0	0	438.893	2.437	50	5		IEBARN
COc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(CSc2nccn2C)cc1=O	ZINC000010254699	569154217	/nfs/dbraw/zinc/15/42/17/569154217.db2.gz	ASAIMFCECCYYAQ-UHFFFAOYSA-N	0	0	429.458	2.430	50	5		IEBARN
COc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(CSc2ncccn2)cc1=O	ZINC000010254891	569154359	/nfs/dbraw/zinc/15/43/59/569154359.db2.gz	KNPBCGYWIBSGCB-UHFFFAOYSA-N	0	0	427.442	2.486	50	5		IEBARN
O=[N+]([O-])c1ccc(NCCCc2nnc3n2CCCC3)c(S(=O)(=O)N2CCCC2)c1	ZINC000089773167	569162520	/nfs/dbraw/zinc/16/25/20/569162520.db2.gz	XSCAWSRJYSVKPV-UHFFFAOYSA-N	0	0	434.522	2.352	50	5		IEBARN
Cc1nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1S(=O)(=O)N1CCC(C)CC1	ZINC000016976772	569168918	/nfs/dbraw/zinc/16/89/18/569168918.db2.gz	HRIYGJGNVZVZSO-UHFFFAOYSA-N	0	0	442.519	2.066	50	5		IEBARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000027375274	569195373	/nfs/dbraw/zinc/19/53/73/569195373.db2.gz	UYCHTQYECRLQDK-UHFFFAOYSA-N	0	0	432.502	2.287	50	5		IEBARN
NC(=O)c1ccc(CN2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c([N+](=O)[O-])c1	ZINC000027375221	569195386	/nfs/dbraw/zinc/19/53/86/569195386.db2.gz	FBOLAEOBFHJUTM-UHFFFAOYSA-N	0	0	444.513	2.431	50	5		IEBARN
COC(=O)c1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)c1	ZINC000241588218	569202785	/nfs/dbraw/zinc/20/27/85/569202785.db2.gz	PAWUIQVVHJFLGK-UHFFFAOYSA-N	0	0	442.457	2.029	50	5		IEBARN
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000195536674	569204203	/nfs/dbraw/zinc/20/42/03/569204203.db2.gz	LLXMCLBTHQIIPX-KZNAEPCWSA-N	0	0	431.537	2.044	50	5		IEBARN
COC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1	ZINC000252674764	569210247	/nfs/dbraw/zinc/21/02/47/569210247.db2.gz	SMLFIGCFFGPMEB-IBGZPJMESA-N	0	0	435.461	2.316	50	5		IEBARN
O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nc(=O)c(Cc3ccccc3Cl)nn12	ZINC000002260202	569215591	/nfs/dbraw/zinc/21/55/91/569215591.db2.gz	LWLXMCJXIMXPCB-SXGWCWSVSA-N	0	0	426.841	2.211	50	5		IEBARN
O=C1CN(CCCO)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc([N+](=O)[O-])c3)N12	ZINC000008769285	569290335	/nfs/dbraw/zinc/29/03/35/569290335.db2.gz	KFHUICCRGOQGNG-DENIHFKCSA-N	0	0	434.452	2.143	50	5		IEBARN
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)cc1[N+](=O)[O-]	ZINC000012979914	569305702	/nfs/dbraw/zinc/30/57/02/569305702.db2.gz	WBFBLNRTOXQDND-UHFFFAOYSA-N	0	0	445.497	2.239	50	5		IEBARN
COc1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])cc1OC	ZINC000019782494	569329178	/nfs/dbraw/zinc/32/91/78/569329178.db2.gz	NWBIDVBVNGPTNK-UHFFFAOYSA-N	0	0	430.417	2.478	50	5		IEBARN
O=C1OCC[C@H]1N1CCC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000095437066	569366626	/nfs/dbraw/zinc/36/66/26/569366626.db2.gz	MFYOTZFFKGXAQA-CYBMUJFWSA-N	0	0	437.396	2.080	50	5		IEBARN
CC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC(C)C)nn1C	ZINC000096203468	569386371	/nfs/dbraw/zinc/38/63/71/569386371.db2.gz	DHINECAYDIOEST-LBPRGKRZSA-N	0	0	439.494	2.336	50	5		IEBARN
Cn1nccc1[C@@H]1CCCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000225578635	569404828	/nfs/dbraw/zinc/40/48/28/569404828.db2.gz	SCNQOCUZKYBFTN-KRWDZBQOSA-N	0	0	435.506	2.081	50	5		IEBARN
C[C@H]1CCc2c(sc(NC(=O)Cn3cc(Br)c([N+](=O)[O-])n3)c2C(N)=O)C1	ZINC000002746623	569419945	/nfs/dbraw/zinc/41/99/45/569419945.db2.gz	MQODHXODVMJRGI-ZETCQYMHSA-N	0	0	442.295	2.478	50	5		IEBARN
COc1ccc(C=C2NC(=S)N(C[C@H]3CCCO3)C2=O)cc1Cn1ccc([N+](=O)[O-])n1	ZINC000002792521	569421558	/nfs/dbraw/zinc/42/15/58/569421558.db2.gz	ZQSZUYFAAIEOIN-CCAPLTMGSA-N	0	0	443.485	2.496	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O	ZINC000002881552	569423958	/nfs/dbraw/zinc/42/39/58/569423958.db2.gz	MVEOWNAILXYGBP-UHFFFAOYSA-N	0	0	427.866	2.339	50	5		IEBARN
COc1ccc([C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)N2CCOCC2)cc1	ZINC000029901167	569438552	/nfs/dbraw/zinc/43/85/52/569438552.db2.gz	DHPMDSJSFZTRIZ-SFHVURJKSA-N	0	0	429.429	2.135	50	5		IEBARN
O=C(CNS(=O)(=O)/C=C/c1ccccc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000003297866	569444862	/nfs/dbraw/zinc/44/48/62/569444862.db2.gz	POAJTPDEPQCGGK-VOTSOKGWSA-N	0	0	434.426	2.095	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O	ZINC000003312466	569445510	/nfs/dbraw/zinc/44/55/10/569445510.db2.gz	QNSQLSYOASFFFU-NWDGAFQWSA-N	0	0	441.396	2.158	50	5		IEBARN
Cc1nc(-c2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc2)cc(=O)[nH]1	ZINC000058077522	569446681	/nfs/dbraw/zinc/44/66/81/569446681.db2.gz	JMBMPQBKUCWPPQ-UHFFFAOYSA-N	0	0	435.444	2.403	50	5		IEBARN
CC(C)CN(C(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC000003421630	569450416	/nfs/dbraw/zinc/45/04/16/569450416.db2.gz	KYFGJTBPYLUNGY-CYBMUJFWSA-N	0	0	432.882	2.077	50	5		IEBARN
CC(C)[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O	ZINC000004157440	569460583	/nfs/dbraw/zinc/46/05/83/569460583.db2.gz	MUYAOMABERELRC-ACOUUOOQSA-N	0	0	428.441	2.376	50	5		IEBARN
CC(C)[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O	ZINC000004157438	569460593	/nfs/dbraw/zinc/46/05/93/569460593.db2.gz	MUYAOMABERELRC-ITOHMHRPSA-N	0	0	428.441	2.376	50	5		IEBARN
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1	ZINC000008424992	569464094	/nfs/dbraw/zinc/46/40/94/569464094.db2.gz	BESBDYJRBPEXJF-IUYQLWOBSA-N	0	0	441.490	2.378	50	5		IEBARN
O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000008710797	569470205	/nfs/dbraw/zinc/47/02/05/569470205.db2.gz	FPYGGHCFVXSDBP-UHFFFAOYSA-N	0	0	445.453	2.197	50	5		IEBARN
Cc1onc(C(=O)Nc2ncn(Cc3ccccc3F)n2)c1Cn1cc([N+](=O)[O-])cn1	ZINC000008782470	569475813	/nfs/dbraw/zinc/47/58/13/569475813.db2.gz	BLVDALUPCCEKRS-UHFFFAOYSA-N	0	0	426.368	2.167	50	5		IEBARN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1CCc1ccccc1	ZINC000008971397	569492701	/nfs/dbraw/zinc/49/27/01/569492701.db2.gz	REDKVHYIYJYLFH-XXBNENTESA-N	0	0	434.452	2.427	50	5		IEBARN
C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)C1	ZINC000040153053	569493548	/nfs/dbraw/zinc/49/35/48/569493548.db2.gz	BSXWCVYRGMLYAO-HZPDHXFCSA-N	0	0	427.505	2.338	50	5		IEBARN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=CC=NN1[C@@H]2C(=O)Nc1ccccc1	ZINC000009354271	569525072	/nfs/dbraw/zinc/52/50/72/569525072.db2.gz	AWYOOIYUHHQJBN-WTGUMLROSA-N	0	0	445.435	2.256	50	5		IEBARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009414602	569531999	/nfs/dbraw/zinc/53/19/99/569531999.db2.gz	LAYHJOVPAMFREO-UHFFFAOYSA-N	0	0	448.501	2.384	50	5		IEBARN
O=C1c2ccccc2C(=O)N1COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000009463357	569537412	/nfs/dbraw/zinc/53/74/12/569537412.db2.gz	OGMWYFNRNHTATO-UHFFFAOYSA-N	0	0	431.426	2.012	50	5		IEBARN
O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])Nc1ccc2c(c1)OCO2	ZINC000009507293	569542019	/nfs/dbraw/zinc/54/20/19/569542019.db2.gz	FXWJQFMURNWANB-UHFFFAOYSA-N	0	0	449.441	2.126	50	5		IEBARN
Cc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(F)c(F)c2F)ccc1[N+](=O)[O-]	ZINC000009562756	569547346	/nfs/dbraw/zinc/54/73/46/569547346.db2.gz	QWIJPEMYSCTACJ-UHFFFAOYSA-N	0	0	425.319	2.232	50	5		IEBARN
CS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-]	ZINC000009562545	569547362	/nfs/dbraw/zinc/54/73/62/569547362.db2.gz	CSROMEFTLDPSQS-INIZCTEOSA-N	0	0	432.454	2.349	50	5		IEBARN
COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1[N+](=O)[O-]	ZINC000009584283	569549378	/nfs/dbraw/zinc/54/93/78/569549378.db2.gz	IYFSNARBSVJYLH-UHFFFAOYSA-N	0	0	433.442	2.438	50	5		IEBARN
COCCn1c(Cc2cccn2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000009599501	569551239	/nfs/dbraw/zinc/55/12/39/569551239.db2.gz	BHDSFKLUBSWYMG-UHFFFAOYSA-N	0	0	430.490	2.493	50	5		IEBARN
O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000096231035	193938337	/nfs/dbraw/zinc/93/83/37/193938337.db2.gz	WPWCMDVTUWSSIU-UHFFFAOYSA-N	0	0	442.859	2.468	50	5		IEBARN
O=C(Nc1ccc(N2CCOCC2)c2nonc21)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	ZINC000002781641	132257120	/nfs/dbraw/zinc/25/71/20/132257120.db2.gz	XFQFSNTYNMFBGD-UHFFFAOYSA-N	0	0	439.388	2.058	50	5		IEBARN
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCN(c3nc(C)nc(Cl)c3[N+](=O)[O-])CC2)n1	ZINC000008892212	132297063	/nfs/dbraw/zinc/29/70/63/132297063.db2.gz	XMLARRHRSAHAHC-UHFFFAOYSA-N	0	0	429.224	2.333	50	5		IEBARN
COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1	ZINC000009720314	132327395	/nfs/dbraw/zinc/32/73/95/132327395.db2.gz	AYSVAUJGGZPIML-UHFFFAOYSA-N	0	0	426.473	2.402	50	5		IEBARN
COc1ccc(C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC	ZINC000011482573	132337846	/nfs/dbraw/zinc/33/78/46/132337846.db2.gz	OMVAWYLNEZJGBP-UHFFFAOYSA-N	0	0	429.429	2.118	50	5		IEBARN
CC(C)OC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000012856414	519742654	/nfs/dbraw/zinc/74/26/54/519742654.db2.gz	MKPLSVFOSAULAA-AWEZNQCLSA-N	0	0	436.804	2.340	50	5		IEBARN
CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000012920167	520789243	/nfs/dbraw/zinc/78/92/43/520789243.db2.gz	ZUWZMNXXPKWZHJ-UHFFFAOYSA-N	0	0	427.866	2.323	50	5		IEBARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1	ZINC000020752434	520792897	/nfs/dbraw/zinc/79/28/97/520792897.db2.gz	BGTDOLBFDZGKAN-UHFFFAOYSA-N	0	0	435.458	2.421	50	5		IEBARN
CCC[C@H]1NC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1=O	ZINC000016695286	521253596	/nfs/dbraw/zinc/25/35/96/521253596.db2.gz	NLSGLHYOCFGWAA-CYBMUJFWSA-N	0	0	429.399	2.414	50	5		IEBARN
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1	ZINC000012527893	521915546	/nfs/dbraw/zinc/91/55/46/521915546.db2.gz	PZSYMTWYIXRHLD-UHFFFAOYSA-N	0	0	441.412	2.171	50	5		IEBARN
COc1cc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)c(C)cc1[N+](=O)[O-]	ZINC000012661082	522658892	/nfs/dbraw/zinc/65/88/92/522658892.db2.gz	FWNFQWPUPBNFPH-QFIPXVFZSA-N	0	0	438.440	2.330	50	5		IEBARN
COc1ccc(C)cc1CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000012523147	523807844	/nfs/dbraw/zinc/80/78/44/523807844.db2.gz	KPMCDZHBAQKAOV-UHFFFAOYSA-N	0	0	448.545	2.484	50	5		IEBARN
Cc1cc(C)c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(C)c1	ZINC000035436218	524283569	/nfs/dbraw/zinc/28/35/69/524283569.db2.gz	WGUNFYJEHDPWOU-UHFFFAOYSA-N	0	0	446.529	2.465	50	5		IEBARN
COc1ccccc1CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000012564318	524436961	/nfs/dbraw/zinc/43/69/61/524436961.db2.gz	VAWSQXJPTQBECJ-UHFFFAOYSA-N	0	0	434.518	2.176	50	5		IEBARN
Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c([N+](=O)[O-])c1	ZINC000012866249	525381690	/nfs/dbraw/zinc/38/16/90/525381690.db2.gz	DLFNSDGQURCWCN-UHFFFAOYSA-N	0	0	447.513	2.432	50	5		IEBARN
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)n1cc(I)cn1	ZINC000012372258	525526645	/nfs/dbraw/zinc/52/66/45/525526645.db2.gz	VMWMTFSYOZMNMB-UHFFFAOYSA-N	0	0	439.995	2.004	50	5		IEBARN
COc1cccc(NC(=O)CN(C)C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000012824189	526172944	/nfs/dbraw/zinc/17/29/44/526172944.db2.gz	PJLPRCMMOAVTEZ-UHFFFAOYSA-N	0	0	428.445	2.151	50	5		IEBARN
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)ccc1[N+](=O)[O-]	ZINC000013113423	526253562	/nfs/dbraw/zinc/25/35/62/526253562.db2.gz	HTJZAXDTUDWEHR-UHFFFAOYSA-N	0	0	425.413	2.328	50	5		IEBARN
O=C(COc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000035681442	526996295	/nfs/dbraw/zinc/99/62/95/526996295.db2.gz	KYPCQRIFIPULMJ-GDNBJRDFSA-N	0	0	431.470	2.119	50	5		IEBARN
Cc1ccc2nc3c(cc(C(=O)NC4CCCC4)c(=N)n3CCCn3ccnc3)c(=O)n2c1	ZINC000013108243	556461976	/nfs/dbraw/zinc/46/19/76/556461976.db2.gz	RNJDVLJNFHIOHK-UHFFFAOYSA-N	0	0	445.527	2.396	50	5		IEBARN
O=C(NCCO)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)cc1	ZINC000016115847	556584081	/nfs/dbraw/zinc/58/40/81/556584081.db2.gz	AIEWXNMUUHVLQE-LFIBNONCSA-N	0	0	434.246	2.237	50	5		IEBARN
CCOCCCn1c(=N)c(C(=O)NCc2ccco2)cc2c1nc1c(C)cccn1c2=O	ZINC000100628064	556635074	/nfs/dbraw/zinc/63/50/74/556635074.db2.gz	DVMUKFBSGAWNDT-UHFFFAOYSA-N	0	0	435.484	2.387	50	5		IEBARN
COc1ccc(-c2n[nH]cc2C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)c([N+](=O)[O-])ccc23)cc1	ZINC000409413265	556640732	/nfs/dbraw/zinc/64/07/32/556640732.db2.gz	HQYQVRSASIOHDY-DZGCQCFKSA-N	0	0	435.440	2.415	50	5	biogenic	IEBARN
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-]	ZINC000247971023	556650993	/nfs/dbraw/zinc/65/09/93/556650993.db2.gz	ALIWSXFLFIJKHK-OSJYTEGDSA-N	0	0	432.436	2.334	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3CCC[C@@H]23)C1O	ZINC000248149633	556669202	/nfs/dbraw/zinc/66/92/02/556669202.db2.gz	VHKHFMYNLHHQFA-KNTRFNDTSA-N	0	0	435.436	2.439	50	5		IEBARN
N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1	ZINC000100812907	556676551	/nfs/dbraw/zinc/67/65/51/556676551.db2.gz	HJNUWDXLAIFPTR-KRWDZBQOSA-N	0	0	429.480	2.086	50	5		IEBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1	ZINC000013838723	556745011	/nfs/dbraw/zinc/74/50/11/556745011.db2.gz	WTJKRDMAPMKTPY-MRXNPFEDSA-N	0	0	433.442	2.230	50	5		IEBARN
O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000096662929	556840359	/nfs/dbraw/zinc/84/03/59/556840359.db2.gz	VXJBJMYLSTWANB-BETUJISGSA-N	0	0	437.836	2.295	50	5		IEBARN
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])N2CCOCC2)cc1	ZINC000023107005	557001713	/nfs/dbraw/zinc/00/17/13/557001713.db2.gz	ZVGPTRYQHQPBTN-HXUWFJFHSA-N	0	0	426.473	2.340	50	5		IEBARN
COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])N2CCOCC2)cc1	ZINC000023107526	557002221	/nfs/dbraw/zinc/00/22/21/557002221.db2.gz	OFIRVMSJQXPKOW-FQEVSTJZSA-N	0	0	442.472	2.040	50	5		IEBARN
COc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C\c3ccsc3)CC2)cc1[N+](=O)[O-]	ZINC000097996742	557004199	/nfs/dbraw/zinc/00/41/99/557004199.db2.gz	DFTRXYOJQHSNOP-DJWKRKHSSA-N	0	0	437.499	2.211	50	5		IEBARN
O=[N+]([O-])c1ccc2cnn(CN3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)c2c1	ZINC000048272310	557050871	/nfs/dbraw/zinc/05/08/71/557050871.db2.gz	CBRWJOCKFVRBEU-UHFFFAOYSA-N	0	0	433.465	2.484	50	5		IEBARN
CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1ccccc1N(Cc1ccc([N+](=O)[O-])cc1)C2=O	ZINC000049947110	557118775	/nfs/dbraw/zinc/11/87/75/557118775.db2.gz	ZJXNAJBJUSUUQH-FQEVSTJZSA-N	0	0	439.453	2.297	50	5		IEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)[C@@H](C)Oc1ccccc1	ZINC000011690906	557231926	/nfs/dbraw/zinc/23/19/26/557231926.db2.gz	JXFORTZUUQWKPL-IAIVQWBNSA-N	0	0	446.463	2.258	50	5		IEBARN
Cc1cccn2c1nc1c(cc(C(=O)NCc3ccco3)c(=N)n1C[C@H]1CCCO1)c2=O	ZINC000100627364	557266627	/nfs/dbraw/zinc/26/66/27/557266627.db2.gz	XBPSSZRZTKCRBJ-MRXNPFEDSA-N	0	0	433.468	2.139	50	5		IEBARN
C[C@@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000014242319	557327420	/nfs/dbraw/zinc/32/74/20/557327420.db2.gz	GPUWBIMJVSAUNJ-OAHLLOKOSA-N	0	0	433.461	2.274	50	5		IEBARN
COc1ccc(/C=C\C(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000103277391	557434769	/nfs/dbraw/zinc/43/47/69/557434769.db2.gz	GRMLRLNDUHYSLH-GKUQOKNUSA-N	0	0	438.484	2.470	50	5		IEBARN
Cc1[nH]c2ccccc2c1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000024553565	557442869	/nfs/dbraw/zinc/44/28/69/557442869.db2.gz	GDTUHPMSOLBOGY-UHFFFAOYSA-N	0	0	442.497	2.460	50	5		IEBARN
CCOC(=O)C1=C(COc2cccnc2[N+](=O)[O-])NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000018532893	557834004	/nfs/dbraw/zinc/83/40/04/557834004.db2.gz	GIYUQMSRGNWSPC-QGZVFWFLSA-N	0	0	428.401	2.249	50	5		IEBARN
Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2cccc([N+](=O)[O-])c2)cc1	ZINC000001132876	562920641	/nfs/dbraw/zinc/92/06/41/562920641.db2.gz	VCISORZUXXDNSE-GOSISDBHSA-N	0	0	433.486	2.394	50	5		IEBARN
O=C1CN(CCCO)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc([N+](=O)[O-])c3)N12	ZINC000002096353	562925753	/nfs/dbraw/zinc/92/57/53/562925753.db2.gz	KFHUICCRGOQGNG-UGKGYDQZSA-N	0	0	434.452	2.143	50	5	biogenic	IEBARN
Cc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-]	ZINC000003271602	562933572	/nfs/dbraw/zinc/93/35/72/562933572.db2.gz	LBTOVYVSGAWCFZ-UHFFFAOYSA-N	0	0	437.355	2.416	50	5	aggregator	IEBARN
CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1	ZINC000009506822	562972372	/nfs/dbraw/zinc/97/23/72/562972372.db2.gz	UPCAWNYZCORUSO-GFCCVEGCSA-N	0	0	434.426	2.385	50	5		IEBARN
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2)C1	ZINC000019025779	568634583	/nfs/dbraw/zinc/63/45/83/568634583.db2.gz	BMUMAMIRAQZAGC-GASCZTMLSA-N	0	0	448.501	2.062	50	5		IEBARN
COC(=O)c1c(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)sc2c1CCC2	ZINC000015125657	568644865	/nfs/dbraw/zinc/64/48/65/568644865.db2.gz	HYYUQJMSWCYIDP-UHFFFAOYSA-N	0	0	434.474	2.386	50	5		IEBARN
CCOC(=O)C1=C2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@]2(c2ccc(C)cc2)NN1	ZINC000001014049	568652120	/nfs/dbraw/zinc/65/21/20/568652120.db2.gz	YQMVOTIGEYKEQU-HTAPYJJXSA-N	0	0	436.424	2.119	50	5		IEBARN
CCOC(=O)c1cnn(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C(F)(F)F)c1N	ZINC000001027811	568652822	/nfs/dbraw/zinc/65/28/22/568652822.db2.gz	DUOXRUNUARSQEB-UHFFFAOYSA-N	0	0	438.322	2.443	50	5		IEBARN
COc1ccc(OC)c(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1	ZINC000001072791	568654738	/nfs/dbraw/zinc/65/47/38/568654738.db2.gz	BFIJJTBBRBUECY-UHFFFAOYSA-N	0	0	439.446	2.025	50	5		IEBARN
CCOC(=O)c1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000001132178	568661470	/nfs/dbraw/zinc/66/14/70/568661470.db2.gz	PSQZKQPUIYCHPK-UHFFFAOYSA-N	0	0	435.458	2.485	50	5		IEBARN
COc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	ZINC000001204967	568736917	/nfs/dbraw/zinc/73/69/17/568736917.db2.gz	WTTNHHFTNNUOFD-UHFFFAOYSA-N	0	0	449.485	2.430	50	5		IEBARN
C[C@@H](C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000015349440	568758544	/nfs/dbraw/zinc/75/85/44/568758544.db2.gz	XGIBTMSAJAHGRF-SGTLLEGYSA-N	0	0	437.408	2.142	50	5		IEBARN
COC(=O)c1ccc(OC(=O)CSc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1	ZINC000001796626	568907839	/nfs/dbraw/zinc/90/78/39/568907839.db2.gz	QTBGKBDSKHOAFK-UHFFFAOYSA-N	0	0	425.440	2.483	50	5		IEBARN
C[C@H](C(=O)Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000089573998	568937988	/nfs/dbraw/zinc/93/79/88/568937988.db2.gz	IKHOINUOPBTPRB-CQSZACIVSA-N	0	0	436.465	2.067	50	5		IEBARN
O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1ccc2c(c1)CCC2	ZINC000036259482	568985229	/nfs/dbraw/zinc/98/52/29/568985229.db2.gz	XVLVATXOUNZWPU-UHFFFAOYSA-N	0	0	444.513	2.029	50	5		IEBARN
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12	ZINC000169681354	568991922	/nfs/dbraw/zinc/99/19/22/568991922.db2.gz	UXADFYHMZQJGLU-FPOVZHCZSA-N	0	0	428.464	2.364	50	5		IEBARN
NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1	ZINC000442995722	569165873	/nfs/dbraw/zinc/16/58/73/569165873.db2.gz	UUTLKQNPJVCVRK-LLVKDONJSA-N	0	0	435.452	2.100	50	5		IEBARN
Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-]	ZINC000017095743	569172932	/nfs/dbraw/zinc/17/29/32/569172932.db2.gz	GYSNUNFYDONBQF-UHFFFAOYSA-N	0	0	428.401	2.498	50	5		IEBARN
Cc1cn2c(CN3CCN(S(C)(=O)=O)CC3)c(-c3ccc([N+](=O)[O-])cc3)nc2s1	ZINC000037399750	569194658	/nfs/dbraw/zinc/19/46/58/569194658.db2.gz	KWAWMZPGBSGBKV-UHFFFAOYSA-N	0	0	435.531	2.357	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3CCC[C@H]23)C1O	ZINC000199036146	569209560	/nfs/dbraw/zinc/20/95/60/569209560.db2.gz	VHKHFMYNLHHQFA-TTYHFUOFSA-N	0	0	435.436	2.439	50	5		IEBARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1	ZINC000008767722	569290320	/nfs/dbraw/zinc/29/03/20/569290320.db2.gz	SMLFIGCFFGPMEB-WPNIOXTASA-N	0	0	435.461	2.316	50	5		IEBARN
COC(=O)c1cc(C(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)cc([N+](=O)[O-])c1	ZINC000013000022	569306176	/nfs/dbraw/zinc/30/61/76/569306176.db2.gz	OJFPAQXQUGMRMW-UHFFFAOYSA-N	0	0	443.456	2.357	50	5		IEBARN
O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000013149707	569312067	/nfs/dbraw/zinc/31/20/67/569312067.db2.gz	VXJBJMYLSTWANB-CHWSQXEVSA-N	0	0	437.836	2.295	50	5		IEBARN
O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccnc(-n3cccn3)c2)ccc1Br	ZINC000079108414	569326078	/nfs/dbraw/zinc/32/60/78/569326078.db2.gz	RXWSIRKBSVEQPB-UHFFFAOYSA-N	0	0	438.263	2.417	50	5		IEBARN
Nc1nc(CCN2CCOCC2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000020358248	569361762	/nfs/dbraw/zinc/36/17/62/569361762.db2.gz	WZKBUDXNXDRTBJ-UHFFFAOYSA-N	0	0	426.521	2.301	50	5		IEBARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCOC[C@@H]2CCO)c([N+](=O)[O-])c1	ZINC000095446159	569367353	/nfs/dbraw/zinc/36/73/53/569367353.db2.gz	GEWXQZGTPXSGPU-KRWDZBQOSA-N	0	0	435.502	2.398	50	5		IEBARN
O=[N+]([O-])c1ccc(NCCNc2nc(N3CCN(CCO)CC3)nc3ccccc32)cc1	ZINC000096439034	569400585	/nfs/dbraw/zinc/40/05/85/569400585.db2.gz	UZLCWIUNZVOWPJ-UHFFFAOYSA-N	0	0	437.504	2.176	50	5		IEBARN
CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002842812	569423304	/nfs/dbraw/zinc/42/33/04/569423304.db2.gz	IOKNVTOZXSTPKA-UHFFFAOYSA-N	0	0	428.430	2.478	50	5		IEBARN
COc1ccc(-n2nc3c(c2NC(=O)c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C3)cc1	ZINC000003009398	569435112	/nfs/dbraw/zinc/43/51/12/569435112.db2.gz	LTRFDKLYNPGODX-UHFFFAOYSA-N	0	0	428.426	2.470	50	5		IEBARN
O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2)c1cccc([N+](=O)[O-])c1	ZINC000003009150	569435279	/nfs/dbraw/zinc/43/52/79/569435279.db2.gz	ANAHHMKYPJBIHE-UHFFFAOYSA-N	0	0	443.397	2.369	50	5		IEBARN
C[C@H](C(=O)NC1CC1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000029975146	569439910	/nfs/dbraw/zinc/43/99/10/569439910.db2.gz	YDLBNFIIZPZYQM-SNVBAGLBSA-N	0	0	431.371	2.311	50	5		IEBARN
Cn1ccnc1C(=O)c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1	ZINC000058134559	569448293	/nfs/dbraw/zinc/44/82/93/569448293.db2.gz	JFHFDKUFJBNDPR-UHFFFAOYSA-N	0	0	435.444	2.308	50	5		IEBARN
COc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1N1CCCC1=O	ZINC000058157735	569448836	/nfs/dbraw/zinc/44/88/36/569448836.db2.gz	OWQYRQLYEZBKIN-UHFFFAOYSA-N	0	0	440.460	2.479	50	5		IEBARN
O=C(COc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000003431985	569450882	/nfs/dbraw/zinc/45/08/82/569450882.db2.gz	KYPCQRIFIPULMJ-XNTDXEJSSA-N	0	0	431.470	2.119	50	5		IEBARN
O=C1N(CN2CCCCC2)c2ccccc2C12OCC(Br)([N+](=O)[O-])CO2	ZINC000003641313	569455554	/nfs/dbraw/zinc/45/55/54/569455554.db2.gz	CAYNLWSDFSCKPP-UHFFFAOYSA-N	0	0	426.267	2.044	50	5		IEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)CCOc1ccccc1	ZINC000031936947	569458436	/nfs/dbraw/zinc/45/84/36/569458436.db2.gz	RNRYTTAFWOGYSY-ROMGYVFFSA-N	0	0	446.463	2.259	50	5		IEBARN
CC(C)[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O	ZINC000004157439	569460594	/nfs/dbraw/zinc/46/05/94/569460594.db2.gz	MUYAOMABERELRC-SOXQQHAUSA-N	0	0	428.441	2.376	50	5		IEBARN
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1	ZINC000008424990	569464084	/nfs/dbraw/zinc/46/40/84/569464084.db2.gz	BESBDYJRBPEXJF-OBHPCNEJSA-N	0	0	441.490	2.378	50	5		IEBARN
O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NC[C@@H]1COc2ccccc2O1	ZINC000008780132	569475612	/nfs/dbraw/zinc/47/56/12/569475612.db2.gz	FYORHASPJYNRCB-MRXNPFEDSA-N	0	0	441.440	2.308	50	5		IEBARN
COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c([N+](=O)[O-])c1	ZINC000008846986	569479150	/nfs/dbraw/zinc/47/91/50/569479150.db2.gz	VJFGKABZBOKIHO-HNNXBMFYSA-N	0	0	427.413	2.134	50	5		IEBARN
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000068763298	569481964	/nfs/dbraw/zinc/48/19/64/569481964.db2.gz	DMYHIVZYFPWRKW-UHFFFAOYSA-N	0	0	439.877	2.450	50	5		IEBARN
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000040150110	569493071	/nfs/dbraw/zinc/49/30/71/569493071.db2.gz	SLJUWWHEIVIPTR-OAHLLOKOSA-N	0	0	430.461	2.048	50	5		IEBARN
Cn1c2c(c(-c3cccc([N+](=O)[O-])c3)n3c2[C@H](c2ccccc2O)OCC3)c(=O)n(C)c1=O	ZINC000009164650	569508785	/nfs/dbraw/zinc/50/87/85/569508785.db2.gz	DWXCOBSZFJJQRY-NRFANRHFSA-N	0	0	448.435	2.439	50	5		IEBARN
O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000009348007	569524389	/nfs/dbraw/zinc/52/43/89/569524389.db2.gz	HVJQWXQIMMIKCN-MKXGPGLRSA-N	0	0	434.383	2.331	50	5		IEBARN
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2=O	ZINC000009442581	569535612	/nfs/dbraw/zinc/53/56/12/569535612.db2.gz	MLFMUQGWTCHGQX-FKIZINRSSA-N	0	0	443.416	2.189	50	5		IEBARN
O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000009562690	569547329	/nfs/dbraw/zinc/54/73/29/569547329.db2.gz	IUZUTZQQZZKXEE-IBGZPJMESA-N	0	0	430.804	2.417	50	5		IEBARN
O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000009698576	569561233	/nfs/dbraw/zinc/56/12/33/569561233.db2.gz	MXYCNKXFCXRGSM-UHFFFAOYSA-N	0	0	447.469	2.041	50	5		IEBARN
CNc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)CCc2ccccc2)cc1[N+](=O)[O-]	ZINC000009876528	569572656	/nfs/dbraw/zinc/57/26/56/569572656.db2.gz	KDMFTFFYONYRPQ-OAHLLOKOSA-N	0	0	434.518	2.395	50	5		IEBARN
CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000009898338	569572986	/nfs/dbraw/zinc/57/29/86/569572986.db2.gz	XZKDTNCOZJLGFV-UHFFFAOYSA-N	0	0	432.502	2.375	50	5		IEBARN
COc1cc([C@H]2c3c(-c4ccc([N+](=O)[O-])cc4)n[nH]c(=O)c3Nc3nnnn32)ccc1O	ZINC000010296350	569580569	/nfs/dbraw/zinc/58/05/69/569580569.db2.gz	UMDPFXMWAWLKDJ-KRWDZBQOSA-N	0	0	434.372	2.153	50	5		IEBARN
COC(=O)c1ccc([C@H]2c3c(-c4ccc([N+](=O)[O-])cc4)n[nH]c(=O)c3Nc3nnnn32)cc1	ZINC000010296340	569580602	/nfs/dbraw/zinc/58/06/02/569580602.db2.gz	GYEITBOIELIPEE-KRWDZBQOSA-N	0	0	446.383	2.225	50	5		IEBARN
C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nn1	ZINC000010221059	132243859	/nfs/dbraw/zinc/24/38/59/132243859.db2.gz	CYNGEXCFESSVSH-INIZCTEOSA-N	0	0	446.533	2.275	50	5		IEBARN
O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1CN(c1cccc(Br)c1)CN=2	ZINC000002346062	132252614	/nfs/dbraw/zinc/25/26/14/132252614.db2.gz	LXPDRRRBXPNPGM-PXNMLYILSA-N	0	0	445.298	2.464	50	5		IEBARN
COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000006289444	132276884	/nfs/dbraw/zinc/27/68/84/132276884.db2.gz	XUUPKYULQYVWGC-UHFFFAOYSA-N	0	0	445.428	2.244	50	5		IEBARN
Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1S(=O)(=O)N(C)C	ZINC000009539956	132321127	/nfs/dbraw/zinc/32/11/27/132321127.db2.gz	GMNUJFGOPKIAIU-UHFFFAOYSA-N	0	0	448.501	2.242	50	5		IEBARN
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)c([N+](=O)[O-])c1	ZINC000009792662	132329225	/nfs/dbraw/zinc/32/92/25/132329225.db2.gz	JSMJXOYUTJCFHC-UHFFFAOYSA-N	0	0	436.490	2.181	50	5		IEBARN
COc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(OC)c1	ZINC000009963933	132333066	/nfs/dbraw/zinc/33/30/66/132333066.db2.gz	WSRKLAJAHJKYKU-UHFFFAOYSA-N	0	0	430.413	2.488	50	5		IEBARN
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000023596584	519687179	/nfs/dbraw/zinc/68/71/79/519687179.db2.gz	XYMXWQSMQZQCOZ-FQEVSTJZSA-N	0	0	435.484	2.472	50	5		IEBARN
CC(C)CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)c3ccco3)C[C@H]12	ZINC000035894694	519741259	/nfs/dbraw/zinc/74/12/59/519741259.db2.gz	AVQHRKPFTAKJFW-PKOBYXMFSA-N	0	0	426.473	2.463	50	5		IEBARN
CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000021821677	520337576	/nfs/dbraw/zinc/33/75/76/520337576.db2.gz	QMOZRVKBYZRGLI-UHFFFAOYSA-N	0	0	425.438	2.070	50	5		IEBARN
CN1CCN(S(=O)(=O)c2ccc(N3CCO[C@@H](c4ccccc4)C3)c([N+](=O)[O-])c2)CC1	ZINC000012644605	523914813	/nfs/dbraw/zinc/91/48/13/523914813.db2.gz	YNPMUHVAOHLWBC-OAQYLSRUSA-N	0	0	446.529	2.109	50	5		IEBARN
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@H]12	ZINC000035870290	523920800	/nfs/dbraw/zinc/92/08/00/523920800.db2.gz	UXADFYHMZQJGLU-PZJWPPBQSA-N	0	0	428.464	2.364	50	5		IEBARN
Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000034783172	524189818	/nfs/dbraw/zinc/18/98/18/524189818.db2.gz	WZAXSPCSCGIDPN-UHFFFAOYSA-N	0	0	432.502	2.157	50	5		IEBARN
Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000012799905	524280753	/nfs/dbraw/zinc/28/07/53/524280753.db2.gz	XJFRLGVNLQFREZ-SFHVURJKSA-N	0	0	439.516	2.477	50	5		IEBARN
COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)c([N+](=O)[O-])c1	ZINC000012801803	525050260	/nfs/dbraw/zinc/05/02/60/525050260.db2.gz	NUQZYGIYWFAOLH-LJQANCHMSA-N	0	0	445.497	2.341	50	5		IEBARN
Cc1ccccc1CN1CCN(C(=O)CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1	ZINC000012545364	525144179	/nfs/dbraw/zinc/14/41/79/525144179.db2.gz	VSPFWPXZQGSKDR-UHFFFAOYSA-N	0	0	437.544	2.370	50	5		IEBARN
CS(=O)(=O)c1ccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)c([N+](=O)[O-])c1	ZINC000015486572	525253008	/nfs/dbraw/zinc/25/30/08/525253008.db2.gz	UKUFXAJCYINPOK-UHFFFAOYSA-N	0	0	443.485	2.371	50	5		IEBARN
Cc1cc(=O)c(C(=O)N2CCN(Cc3ccccc3)CC2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000012884631	526126238	/nfs/dbraw/zinc/12/62/38/526126238.db2.gz	RYSMNDFCPPGVMU-UHFFFAOYSA-N	0	0	433.468	2.407	50	5		IEBARN
Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-]	ZINC000023494959	526238128	/nfs/dbraw/zinc/23/81/28/526238128.db2.gz	LGEIMPWTRWNIMB-CYBMUJFWSA-N	0	0	435.458	2.338	50	5		IEBARN
O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000018059530	526778329	/nfs/dbraw/zinc/77/83/29/526778329.db2.gz	HVJQWXQIMMIKCN-CADBVGFASA-N	0	0	434.383	2.331	50	5		IEBARN
O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)Nc1ccc(F)c(F)c1	ZINC000036732879	526847869	/nfs/dbraw/zinc/84/78/69/526847869.db2.gz	MSWSUTPOSVNWMB-JTQLQIEISA-N	0	0	436.346	2.120	50	5		IEBARN
O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1N1CCOCC1	ZINC000022367948	527337797	/nfs/dbraw/zinc/33/77/97/527337797.db2.gz	LBHSTUKZOIQZKQ-UHFFFAOYSA-N	0	0	435.458	2.394	50	5		IEBARN
O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000012738715	527427990	/nfs/dbraw/zinc/42/79/90/527427990.db2.gz	PBJSFRGGGASXIQ-UHFFFAOYSA-N	0	0	427.852	2.251	50	5		IEBARN
COc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)cc1	ZINC000009519965	536708198	/nfs/dbraw/zinc/70/81/98/536708198.db2.gz	ROGCYIXMFZEUSD-INIZCTEOSA-N	0	0	439.472	2.241	50	5		IEBARN
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1	ZINC000032808822	556369425	/nfs/dbraw/zinc/36/94/25/556369425.db2.gz	PTEZOWFZYDAING-UHFFFAOYSA-N	0	0	437.456	2.221	50	5		IEBARN
Cc1cccc(NC(=O)Cn2cnc3cc(N4CCOCC4)c([N+](=O)[O-])cc3c2=O)c1C	ZINC000032842851	556427846	/nfs/dbraw/zinc/42/78/46/556427846.db2.gz	DTGJIEYONRMGBE-UHFFFAOYSA-N	0	0	437.456	2.397	50	5		IEBARN
Cc1csc(Sc2ccc(C(=O)NC3CCN(CC(N)=O)CC3)cc2[N+](=O)[O-])n1	ZINC000032908377	556564820	/nfs/dbraw/zinc/56/48/20/556564820.db2.gz	GTBGLKMKISCGBT-UHFFFAOYSA-N	0	0	435.531	2.190	50	5		IEBARN
O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCCc1ccc(F)cc1	ZINC000033691222	556621679	/nfs/dbraw/zinc/62/16/79/556621679.db2.gz	BPKTWSUIWUBCOZ-UHFFFAOYSA-N	0	0	431.420	2.086	50	5		IEBARN
Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(=N)n3Cc3ccco3)c(=O)n2c1	ZINC000100627262	556634917	/nfs/dbraw/zinc/63/49/17/556634917.db2.gz	ZBYARKXNISFNJL-UHFFFAOYSA-N	0	0	440.463	2.403	50	5		IEBARN
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1)[C@H]1CC1[N+](=O)[O-]	ZINC000032932145	556677102	/nfs/dbraw/zinc/67/71/02/556677102.db2.gz	CNPHIWWEWJXFDM-WMZOPIPTSA-N	0	0	447.469	2.104	50	5		IEBARN
COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2C)N2CCOCC2)cc1	ZINC000023107560	557002207	/nfs/dbraw/zinc/00/22/07/557002207.db2.gz	ABVXXRZFWNEGDL-FQEVSTJZSA-N	0	0	442.472	2.040	50	5		IEBARN
CCn1cc2nc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n(CC)c(=O)c2n1	ZINC000013960015	557002683	/nfs/dbraw/zinc/00/26/83/557002683.db2.gz	RXXDFQZRNPAZDO-UHFFFAOYSA-N	0	0	432.462	2.280	50	5		IEBARN
O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000010834033	557033020	/nfs/dbraw/zinc/03/30/20/557033020.db2.gz	JHYITMXDBDWJAH-CYBMUJFWSA-N	0	0	427.866	2.469	50	5		IEBARN
O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3ncccn3)C2)c(S(=O)(=O)N2CCCC2)c1	ZINC000048247948	557048175	/nfs/dbraw/zinc/04/81/75/557048175.db2.gz	CGCGAEJTDWEOBP-HNNXBMFYSA-N	0	0	432.506	2.250	50	5		IEBARN
Cc1nccn1-c1cc(CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)ccn1	ZINC000048304289	557059268	/nfs/dbraw/zinc/05/92/68/557059268.db2.gz	QNGUKIGQNGFRES-UHFFFAOYSA-N	0	0	436.428	2.488	50	5		IEBARN
Cc1cc(NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000048302276	557063271	/nfs/dbraw/zinc/06/32/71/557063271.db2.gz	ITJXPKIJUKPCQB-HUUCEWRRSA-N	0	0	435.506	2.211	50	5		IEBARN
CN1CCN(S(=O)(=O)c2ccc(SC[C@H](O)c3ccccc3)c([N+](=O)[O-])c2)CC1	ZINC000048302535	557063795	/nfs/dbraw/zinc/06/37/95/557063795.db2.gz	IRJGOMIEQYINRN-SFHVURJKSA-N	0	0	437.543	2.357	50	5		IEBARN
COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000023224771	557114887	/nfs/dbraw/zinc/11/48/87/557114887.db2.gz	WBGRZXVFDBMWRB-UHFFFAOYSA-N	0	0	426.429	2.302	50	5		IEBARN
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1	ZINC000049581222	557116273	/nfs/dbraw/zinc/11/62/73/557116273.db2.gz	ASKYHWKPJJZKRI-MAUKXSAKSA-N	0	0	435.502	2.397	50	5		IEBARN
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000000682829	557134348	/nfs/dbraw/zinc/13/43/48/557134348.db2.gz	TXOZXPJYMVFYOB-UHFFFAOYSA-N	0	0	449.265	2.299	50	5		IEBARN
Cc1c(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cccc1[N+](=O)[O-]	ZINC000011398085	557139874	/nfs/dbraw/zinc/13/98/74/557139874.db2.gz	TVRSBOOWLVETIN-ZDUSSCGKSA-N	0	0	435.458	2.338	50	5		IEBARN
COCCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c1nc1ccc(C)cn1c2=O	ZINC000100846729	557191761	/nfs/dbraw/zinc/19/17/61/557191761.db2.gz	JJHPRCMADRUYTO-UHFFFAOYSA-N	0	0	438.509	2.225	50	5		IEBARN
Cc1cccn2c1nc1c(cc(C(=O)NCc3ccco3)c(=N)n1C[C@@H]1CCCO1)c2=O	ZINC000100627361	557266753	/nfs/dbraw/zinc/26/67/53/557266753.db2.gz	XBPSSZRZTKCRBJ-INIZCTEOSA-N	0	0	433.468	2.139	50	5		IEBARN
Cc1cccn2c1nc1c(cc(C(=O)NCc3cccnc3)c(=N)n1Cc1ccco1)c2=O	ZINC000100662693	557269053	/nfs/dbraw/zinc/26/90/53/557269053.db2.gz	ZGVUELIYMFAXME-UHFFFAOYSA-N	0	0	440.463	2.403	50	5		IEBARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000000833678	557278032	/nfs/dbraw/zinc/27/80/32/557278032.db2.gz	ZSEARIISKXNDIG-QMJOVRGKSA-N	0	0	439.449	2.300	50	5		IEBARN
CC(C)OCCCn1c(=N)c(C(=O)NCc2ccco2)cc2c1nc1ccccn1c2=O	ZINC000101034169	557281863	/nfs/dbraw/zinc/28/18/63/557281863.db2.gz	YBUTUIHUIPVWHZ-UHFFFAOYSA-N	0	0	435.484	2.467	50	5		IEBARN
N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(F)cc1	ZINC000101228938	557285170	/nfs/dbraw/zinc/28/51/70/557285170.db2.gz	QYMHBFZWJITDLS-KRWDZBQOSA-N	0	0	447.470	2.225	50	5		IEBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1cnn(-c2ccccc2)c1	ZINC000014280028	557332924	/nfs/dbraw/zinc/33/29/24/557332924.db2.gz	VFEVATUZFNTPNP-UHFFFAOYSA-N	0	0	444.469	2.380	50	5		IEBARN
N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1	ZINC000100426221	557403023	/nfs/dbraw/zinc/40/30/23/557403023.db2.gz	MJJTTXVZXGEYOV-QGZVFWFLSA-N	0	0	447.470	2.377	50	5	aggregator	IEBARN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cc(OC)c([N+](=O)[O-])cc4C)C(O)=C23)c(OC)c1	ZINC000104055337	557449858	/nfs/dbraw/zinc/44/98/58/557449858.db2.gz	JGXZBCCQCYRVOJ-PKOBYXMFSA-N	0	0	441.396	2.222	50	5		IEBARN
COCCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c1nc1ccc(C)cn1c2=O	ZINC000002200426	562926229	/nfs/dbraw/zinc/92/62/29/562926229.db2.gz	ARSKZFQZCPEINY-UHFFFAOYSA-N	0	0	438.509	2.306	50	5		IEBARN
CCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000009507180	562972519	/nfs/dbraw/zinc/97/25/19/562972519.db2.gz	GDBWJUKJLHGYCZ-UHFFFAOYSA-N	0	0	437.456	2.441	50	5		IEBARN
C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000009612828	562974130	/nfs/dbraw/zinc/97/41/30/562974130.db2.gz	NQHIYZCFHNCVGY-OAHLLOKOSA-N	0	0	429.429	2.381	50	5		IEBARN
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000012894957	562983452	/nfs/dbraw/zinc/98/34/52/562983452.db2.gz	RNJBKOYUOFJZAB-UHFFFAOYSA-N	0	0	434.399	2.480	50	5		IEBARN
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@H]1CCN1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000012958753	562983693	/nfs/dbraw/zinc/98/36/93/562983693.db2.gz	OPDDWGLLAKNNEI-LJQANCHMSA-N	0	0	440.456	2.231	50	5		IEBARN
O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1cccc2nsnc21	ZINC000019077064	568637377	/nfs/dbraw/zinc/63/73/77/568637377.db2.gz	GZGNDHFQOOEVTH-UHFFFAOYSA-N	0	0	443.441	2.232	50	5		IEBARN
O=C1Nc2cc([N+](=O)[O-])ccc2O[C@@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000052530435	568658519	/nfs/dbraw/zinc/65/85/19/568658519.db2.gz	BEGNFPMSHJMALC-LJQANCHMSA-N	0	0	427.417	2.415	50	5		IEBARN
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCC(=O)c1ccc(Br)cc1	ZINC000001159736	568664173	/nfs/dbraw/zinc/66/41/73/568664173.db2.gz	ZLUABQICZSBKSY-UHFFFAOYSA-N	0	0	447.197	2.379	50	5		IEBARN
CCOC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	ZINC000015207336	568732177	/nfs/dbraw/zinc/73/21/77/568732177.db2.gz	YSPBQBADLQZGQD-UHFFFAOYSA-N	0	0	426.495	2.048	50	5		IEBARN
O=C(CSc1nc2ccccc2c2nc3ccccc3n21)N[C@@H]1CCS(=O)(=O)C1	ZINC000005981477	568739886	/nfs/dbraw/zinc/73/98/86/568739886.db2.gz	DQCJEMBTGVAMQD-CYBMUJFWSA-N	0	0	426.523	2.431	50	5		IEBARN
Cc1cc(C)c(NC(=O)CNC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)c(C)c1	ZINC000015322733	568755351	/nfs/dbraw/zinc/75/53/51/568755351.db2.gz	VENTXWDBUGOHFD-UHFFFAOYSA-N	0	0	429.477	2.091	50	5		IEBARN
O=C(c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1	ZINC000015882637	568857056	/nfs/dbraw/zinc/85/70/56/568857056.db2.gz	LEQZSNBQUKISBA-UHFFFAOYSA-N	0	0	437.499	2.310	50	5		IEBARN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1	ZINC000015882633	568857075	/nfs/dbraw/zinc/85/70/75/568857075.db2.gz	UWFCEEMNOVHVMR-UHFFFAOYSA-N	0	0	431.470	2.248	50	5		IEBARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccco1	ZINC000016247125	568874596	/nfs/dbraw/zinc/87/45/96/568874596.db2.gz	QZWGQHCPFMVGEQ-FYXHJSOBSA-N	0	0	439.449	2.300	50	5		IEBARN
O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000016384514	568886061	/nfs/dbraw/zinc/88/60/61/568886061.db2.gz	YTGWWZKONODJOY-UHFFFAOYSA-N	0	0	426.458	2.491	50	5		IEBARN
O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000253487129	568903559	/nfs/dbraw/zinc/90/35/59/568903559.db2.gz	FPMAOYXQQZULIS-HCXYKTFWSA-N	0	0	434.383	2.331	50	5		IEBARN
COc1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c(CSc2ncccn2)cc1=O	ZINC000010254924	569153840	/nfs/dbraw/zinc/15/38/40/569153840.db2.gz	DEZABSANJKADRA-UHFFFAOYSA-N	0	0	427.442	2.486	50	5		IEBARN
Cc1ccc2nc(CNc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])cn2c1	ZINC000253415388	569266244	/nfs/dbraw/zinc/26/62/44/569266244.db2.gz	LFRMNPGVHGCFSG-UHFFFAOYSA-N	0	0	431.474	2.184	50	5		IEBARN
COc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@H]34)C2O)cc1	ZINC000253487399	569282907	/nfs/dbraw/zinc/28/29/07/569282907.db2.gz	JTJHWDOEXZKJBA-FYQPLNBISA-N	0	0	446.419	2.200	50	5		IEBARN
O=C1CN(CCCO)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc([N+](=O)[O-])c3)N12	ZINC000008769282	569290317	/nfs/dbraw/zinc/29/03/17/569290317.db2.gz	KFHUICCRGOQGNG-KNQAVFIVSA-N	0	0	434.452	2.143	50	5		IEBARN
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1	ZINC000008927448	569292460	/nfs/dbraw/zinc/29/24/60/569292460.db2.gz	DPTMTJIXMPLWFF-ZDUSSCGKSA-N	0	0	445.815	2.168	50	5		IEBARN
CCOC(=O)C1=C(Cn2nc(C)c([N+](=O)[O-])c2C)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000013133821	569311245	/nfs/dbraw/zinc/31/12/45/569311245.db2.gz	KFKVQAIGCHCRRP-KRWDZBQOSA-N	0	0	429.433	2.288	50	5		IEBARN
CCOc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H](N2CCN(Cc3ccccc3)CC2)C1=O	ZINC000018266188	569316181	/nfs/dbraw/zinc/31/61/81/569316181.db2.gz	ZNCADYDJTPAMNU-HXUWFJFHSA-N	0	0	438.484	2.443	50	5		IEBARN
CC(C)(O)CN(C1CCOCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000095461985	569370022	/nfs/dbraw/zinc/37/00/22/569370022.db2.gz	OQERRWLJCBICOP-UHFFFAOYSA-N	0	0	437.312	2.298	50	5		IEBARN
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(N)n2)cc1S(=O)(=O)N1CCCCC1	ZINC000096003936	569379181	/nfs/dbraw/zinc/37/91/81/569379181.db2.gz	XTHBLTJLHNEPPQ-UHFFFAOYSA-N	0	0	435.462	2.008	50	5		IEBARN
CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)N[C@@H](C)CC)nn1C	ZINC000096203482	569386304	/nfs/dbraw/zinc/38/63/04/569386304.db2.gz	LVUURCXAEPDHNI-LBPRGKRZSA-N	0	0	439.494	2.337	50	5		IEBARN
Cn1nccc1[C@H]1CCCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000225578661	569404832	/nfs/dbraw/zinc/40/48/32/569404832.db2.gz	SCNQOCUZKYBFTN-QGZVFWFLSA-N	0	0	435.506	2.081	50	5		IEBARN
O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)NC[C@H]1CCCO1	ZINC000002720077	569417775	/nfs/dbraw/zinc/41/77/75/569417775.db2.gz	QEQGEFWZMPYOIT-CQSZACIVSA-N	0	0	448.526	2.176	50	5		IEBARN
Cc1nn(CCC(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1[N+](=O)[O-]	ZINC000002780923	569421103	/nfs/dbraw/zinc/42/11/03/569421103.db2.gz	XRCUREIFCXIXSF-JTQLQIEISA-N	0	0	430.490	2.465	50	5		IEBARN
COc1ccc(C=C2NC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Cn1cc([N+](=O)[O-])cn1	ZINC000002792580	569421939	/nfs/dbraw/zinc/42/19/39/569421939.db2.gz	MLVFZNPEZBZVMN-PDEJURLFSA-N	0	0	443.485	2.496	50	5		IEBARN
Cc1[nH]c2ccccc2c1CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000028998408	569424101	/nfs/dbraw/zinc/42/41/01/569424101.db2.gz	YBUFDPOPPBZVSJ-UHFFFAOYSA-N	0	0	442.497	2.460	50	5		IEBARN
O=C(NCCO)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br	ZINC000002898769	569424457	/nfs/dbraw/zinc/42/44/57/569424457.db2.gz	DVLDUBLUDUIJBQ-LFIBNONCSA-N	0	0	434.246	2.237	50	5		IEBARN
O=C(COC(=O)c1ccccn1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000003286074	569444048	/nfs/dbraw/zinc/44/40/48/569444048.db2.gz	GYNWMYGZPJQWBC-UHFFFAOYSA-N	0	0	448.438	2.075	50	5		IEBARN
COC(=O)C[C@@H](c1ccccc1[N+](=O)[O-])c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O	ZINC000604418846	569448348	/nfs/dbraw/zinc/44/83/48/569448348.db2.gz	KLQZMQNNIWSKTP-INIZCTEOSA-N	0	0	426.429	2.431	50	5		IEBARN
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000058162430	569449158	/nfs/dbraw/zinc/44/91/58/569449158.db2.gz	YUARSZVCXABCIN-UHFFFAOYSA-N	0	0	428.474	2.124	50	5		IEBARN
C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	ZINC000003480315	569452306	/nfs/dbraw/zinc/45/23/06/569452306.db2.gz	VFAMJFLWNNEQIE-SNVBAGLBSA-N	0	0	431.788	2.415	50	5		IEBARN
O=C(C1=C2C(O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000229631143	569461143	/nfs/dbraw/zinc/46/11/43/569461143.db2.gz	VJMJZTNTJYQAQD-MANSERQUSA-N	0	0	434.383	2.331	50	5		IEBARN
COc1ccc(NC(=O)COC(=O)CCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1	ZINC000008717310	569471090	/nfs/dbraw/zinc/47/10/90/569471090.db2.gz	ZYFVVIRUQROECL-UHFFFAOYSA-N	0	0	441.396	2.162	50	5		IEBARN
Cc1cc(C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)ccc1[N+](=O)[O-]	ZINC000039585410	569481772	/nfs/dbraw/zinc/48/17/72/569481772.db2.gz	OZVHNKNWMYWHKL-KRWDZBQOSA-N	0	0	438.502	2.408	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C)CC2)cc1	ZINC000039979644	569482188	/nfs/dbraw/zinc/48/21/88/569482188.db2.gz	YFODILCBWLYLTC-UHFFFAOYSA-N	0	0	448.501	2.228	50	5		IEBARN
O=C(COC(=O)C1CCN(C(=O)NCc2ccco2)CC1)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000040127329	569489695	/nfs/dbraw/zinc/48/96/95/569489695.db2.gz	IERRUGNQBWKNNM-UHFFFAOYSA-N	0	0	448.407	2.430	50	5		IEBARN
Cc1cccc(C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)c1[N+](=O)[O-]	ZINC000009022480	569496944	/nfs/dbraw/zinc/49/69/44/569496944.db2.gz	RWCCZMSMDUHASH-INIZCTEOSA-N	0	0	438.502	2.408	50	5		IEBARN
O=c1[nH]c2ccccc2n1CCCOc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000009054117	569498879	/nfs/dbraw/zinc/49/88/79/569498879.db2.gz	MXRQZTNRZCHODG-UHFFFAOYSA-N	0	0	446.485	2.491	50	5		IEBARN
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1	ZINC000245237004	569500400	/nfs/dbraw/zinc/50/04/00/569500400.db2.gz	ASKYHWKPJJZKRI-QAPCUYQASA-N	0	0	435.502	2.397	50	5		IEBARN
O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])NCCc1ccccc1	ZINC000009119246	569503432	/nfs/dbraw/zinc/50/34/32/569503432.db2.gz	XRVOQYATFJIQHG-UHFFFAOYSA-N	0	0	433.486	2.117	50	5		IEBARN
O=C(CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1)NCc1ccccc1	ZINC000009131000	569506929	/nfs/dbraw/zinc/50/69/29/569506929.db2.gz	JLASIRZRTLVLKO-UHFFFAOYSA-N	0	0	444.469	2.395	50	5		IEBARN
CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1	ZINC000009139033	569507235	/nfs/dbraw/zinc/50/72/35/569507235.db2.gz	HULKPCVHONMUTA-UHFFFAOYSA-N	0	0	430.442	2.411	50	5		IEBARN
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1C	ZINC000009223580	569513012	/nfs/dbraw/zinc/51/30/12/569513012.db2.gz	OXCYYPQQTDPEHE-ZDUSSCGKSA-N	0	0	445.428	2.261	50	5		IEBARN
COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C(=O)N1CCOCC1	ZINC000009356150	569525421	/nfs/dbraw/zinc/52/54/21/569525421.db2.gz	YXNVXQNKRRIOSJ-UHFFFAOYSA-N	0	0	435.458	2.185	50	5		IEBARN
COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCOCC1	ZINC000009356151	569525424	/nfs/dbraw/zinc/52/54/24/569525424.db2.gz	SBROZOBFZMLZGG-UHFFFAOYSA-N	0	0	435.458	2.185	50	5		IEBARN
Cc1ccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1	ZINC000009397481	569529286	/nfs/dbraw/zinc/52/92/86/569529286.db2.gz	NGKBXBXEMOQMNQ-NRFANRHFSA-N	0	0	439.428	2.327	50	5		IEBARN
Cc1ccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1	ZINC000009397466	569529311	/nfs/dbraw/zinc/52/93/11/569529311.db2.gz	NGKBXBXEMOQMNQ-OAQYLSRUSA-N	0	0	439.428	2.327	50	5		IEBARN
CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000009493928	569540836	/nfs/dbraw/zinc/54/08/36/569540836.db2.gz	IBZNNFNAALHCFA-UHFFFAOYSA-N	0	0	449.485	2.039	50	5		IEBARN
CCCCn1cnc2c1c(=O)n(CC(=O)Nc1cccc([N+](=O)[O-])c1)c(=O)n2CC(C)C	ZINC000009647443	569556427	/nfs/dbraw/zinc/55/64/27/569556427.db2.gz	XLRGYAOOOVWEIE-UHFFFAOYSA-N	0	0	442.476	2.363	50	5		IEBARN
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000009667974	569557863	/nfs/dbraw/zinc/55/78/63/569557863.db2.gz	GQLKVORRKVPUAG-UHFFFAOYSA-N	0	0	449.485	2.250	50	5		IEBARN
O=c1[nH]nc(-c2cccc([N+](=O)[O-])c2)c2c1Nc1nnnn1[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000010296539	569580565	/nfs/dbraw/zinc/58/05/65/569580565.db2.gz	VYQJMUGPVSSMAN-MRXNPFEDSA-N	0	0	433.344	2.347	50	5		IEBARN
COC(=O)c1ccc([C@@H]2c3c(-c4ccc([N+](=O)[O-])cc4)n[nH]c(=O)c3Nc3nnnn32)cc1	ZINC000010296336	569580614	/nfs/dbraw/zinc/58/06/14/569580614.db2.gz	GYEITBOIELIPEE-QGZVFWFLSA-N	0	0	446.383	2.225	50	5		IEBARN
O=C(Cn1c(=O)c2sccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O)NCc1ccco1	ZINC000010433611	569582092	/nfs/dbraw/zinc/58/20/92/569582092.db2.gz	OKSXSRIPKLGGIG-UHFFFAOYSA-N	0	0	440.437	2.091	50	5		IEBARN
COc1cccc(N2C[C@H](NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)c1	ZINC000009519956	132233439	/nfs/dbraw/zinc/23/34/39/132233439.db2.gz	PPYWYRLLVOXVPY-MRXNPFEDSA-N	0	0	439.472	2.241	50	5		IEBARN
NS(=O)(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1	ZINC000003044965	132260969	/nfs/dbraw/zinc/26/09/69/132260969.db2.gz	JHXDAJWZCDYMSZ-UHFFFAOYSA-N	0	0	442.365	2.104	50	5		IEBARN
O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(c2cnccn2)CC1	ZINC000008709367	132291254	/nfs/dbraw/zinc/29/12/54/132291254.db2.gz	XJDCSEFUVPFRNH-UHFFFAOYSA-N	0	0	439.398	2.347	50	5		IEBARN
COc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1	ZINC000008739506	132292443	/nfs/dbraw/zinc/29/24/43/132292443.db2.gz	HNVWGJCNQWKJPZ-UHFFFAOYSA-N	0	0	426.473	2.402	50	5		IEBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCN(c2ncccn2)CC1	ZINC000009469381	132318654	/nfs/dbraw/zinc/31/86/54/132318654.db2.gz	YSPQNHGMLVZAGE-UHFFFAOYSA-N	0	0	446.533	2.276	50	5		IEBARN
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCN(c4ccccc4)CC3)c2)CC1	ZINC000009720471	132327440	/nfs/dbraw/zinc/32/74/40/132327440.db2.gz	BMZRGTKJHVDPQL-UHFFFAOYSA-N	0	0	445.545	2.003	50	5		IEBARN
CC(C)(C)NS(=O)(=O)c1ccc(N2CCN(c3nccs3)CC2)c([N+](=O)[O-])c1	ZINC000012634599	518770524	/nfs/dbraw/zinc/77/05/24/518770524.db2.gz	NTVWMNCZSKVNME-UHFFFAOYSA-N	0	0	425.536	2.455	50	5		IEBARN
CC1([N+](=O)[O-])COC2(OC1)c1ccccc1N(CN1CCN(c3ccccc3)CC1)C2=O	ZINC000015413876	520783720	/nfs/dbraw/zinc/78/37/20/520783720.db2.gz	RYIDOOHSADKBOC-UHFFFAOYSA-N	0	0	438.484	2.048	50	5		IEBARN
CCOc1ccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1[N+](=O)[O-]	ZINC000001112276	520916916	/nfs/dbraw/zinc/91/69/16/520916916.db2.gz	ZAGRGBICLSBMRC-UHFFFAOYSA-N	0	0	448.501	2.327	50	5		IEBARN
CCOc1ccc(CNc2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)[n+]2[O-])cc1OC	ZINC000016692855	521011118	/nfs/dbraw/zinc/01/11/18/521011118.db2.gz	QMCISUWPKBEYNG-UHFFFAOYSA-N	0	0	443.416	2.205	50	5		IEBARN
CCOC(=O)c1ccc(-n2nnnc2[C@@H](c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1	ZINC000022078833	521461687	/nfs/dbraw/zinc/46/16/87/521461687.db2.gz	UKSLTJRBOWWSJF-LJQANCHMSA-N	0	0	438.444	2.169	50	5		IEBARN
CNS(=O)(=O)c1ccc(N[C@@H](c2nccn2C)c2ccccc2OC)c([N+](=O)[O-])c1	ZINC000017591293	522292882	/nfs/dbraw/zinc/29/28/82/522292882.db2.gz	YLOYINJPALIHSF-GOSISDBHSA-N	0	0	431.474	2.447	50	5		IEBARN
Cc1cccc(Nc2nc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)c2[N+](=O)[O-])c1	ZINC000035681954	524700480	/nfs/dbraw/zinc/70/04/80/524700480.db2.gz	TWTGWVBVWGXZBA-UHFFFAOYSA-N	0	0	443.489	2.321	50	5		IEBARN
COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])N2CCOCC2)cc1	ZINC000023107523	525179458	/nfs/dbraw/zinc/17/94/58/525179458.db2.gz	OFIRVMSJQXPKOW-HXUWFJFHSA-N	0	0	442.472	2.040	50	5		IEBARN
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000012888989	525522767	/nfs/dbraw/zinc/52/27/67/525522767.db2.gz	CPGGXSPDJSHESC-UHFFFAOYSA-N	0	0	433.486	2.252	50	5		IEBARN
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000012606375	525562187	/nfs/dbraw/zinc/56/21/87/525562187.db2.gz	VLDFNZAHNZSIIH-UHFFFAOYSA-N	0	0	444.513	2.306	50	5		IEBARN
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)NC(C)(C)C	ZINC000021604543	525591150	/nfs/dbraw/zinc/59/11/50/525591150.db2.gz	LWEOWJPELXEQMZ-DOMZBBRYSA-N	0	0	425.507	2.293	50	5		IEBARN
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)C(=O)NC(C)(C)C	ZINC000021604541	525591158	/nfs/dbraw/zinc/59/11/58/525591158.db2.gz	LWEOWJPELXEQMZ-WFASDCNBSA-N	0	0	425.507	2.293	50	5		IEBARN
C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1sc2c(c1C(N)=O)CCC2	ZINC000021605565	525892313	/nfs/dbraw/zinc/89/23/13/525892313.db2.gz	LLEQUCQNQLNDRO-MRVPVSSYSA-N	0	0	447.425	2.157	50	5		IEBARN
COc1cccc(CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])c1	ZINC000012553383	525921273	/nfs/dbraw/zinc/92/12/73/525921273.db2.gz	VCFRLWMYVJQUFE-UHFFFAOYSA-N	0	0	434.518	2.176	50	5		IEBARN
Cc1ccc(C(=O)NCC(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1[N+](=O)[O-]	ZINC000022304561	526154566	/nfs/dbraw/zinc/15/45/66/526154566.db2.gz	ABLHVGIZOMRTKS-ZIAGYGMSSA-N	0	0	447.517	2.337	50	5		IEBARN
Cc1nn(Cc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)c(C)c1[N+](=O)[O-]	ZINC000012367043	526300480	/nfs/dbraw/zinc/30/04/80/526300480.db2.gz	GMTWNVFZSOTTCT-UHFFFAOYSA-N	0	0	431.434	2.468	50	5		IEBARN
O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1ccc(F)c(F)c1F	ZINC000036728748	526851833	/nfs/dbraw/zinc/85/18/33/526851833.db2.gz	HCSHKXYJGLDZNH-UHFFFAOYSA-N	0	0	438.362	2.217	50	5		IEBARN
O=[N+]([O-])c1ccc(NS(=O)(=O)CCCS(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000035587993	527366302	/nfs/dbraw/zinc/36/63/02/527366302.db2.gz	XBORQGZBYPPHGD-UHFFFAOYSA-N	0	0	444.447	2.077	50	5		IEBARN
O=C(Cn1nnc(-c2cccc(Cl)c2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000012784026	527427743	/nfs/dbraw/zinc/42/77/43/527427743.db2.gz	VAPZMRZCKSACLN-UHFFFAOYSA-N	0	0	427.852	2.251	50	5		IEBARN
O=C(Cn1nnc(-c2ccccc2Cl)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000012811297	527429161	/nfs/dbraw/zinc/42/91/61/527429161.db2.gz	OSVXZOWXYSNHIW-UHFFFAOYSA-N	0	0	427.852	2.251	50	5		IEBARN
COCCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c1nc1c(C)cccn1c2=O	ZINC000001738198	555711521	/nfs/dbraw/zinc/71/15/21/555711521.db2.gz	VKFHYVVKFJIKNI-UHFFFAOYSA-N	0	0	438.509	2.306	50	5		IEBARN
COCCCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c1nc1ccc(C)cn1c2=O	ZINC000013464954	556506900	/nfs/dbraw/zinc/50/69/00/556506900.db2.gz	AWFADJHODWJVQJ-UHFFFAOYSA-N	0	0	445.523	2.446	50	5		IEBARN
COc1ccc(Cn2ccc3nc4ccn(CCN5CCOCC5)c(=O)c4cc3c2=O)cc1	ZINC000036125572	556593261	/nfs/dbraw/zinc/59/32/61/556593261.db2.gz	DNMAZXTXDYALAK-UHFFFAOYSA-N	0	0	446.507	2.101	50	5		IEBARN
O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000033669275	556620410	/nfs/dbraw/zinc/62/04/10/556620410.db2.gz	FLSZVAMDBDQGSW-UHFFFAOYSA-N	0	0	438.893	2.360	50	5		IEBARN
COc1ccccc1-n1ccc2nc3ccn(CCCN4CCOCC4)c(=O)c3cc2c1=O	ZINC000038829198	556620750	/nfs/dbraw/zinc/62/07/50/556620750.db2.gz	VAZADVYYOBXBML-UHFFFAOYSA-N	0	0	446.507	2.432	50	5		IEBARN
Cc1cccn2c1nc1c(cc(C(=O)N[C@@H](C)c3ccccc3)c(=N)n1CCCO)c2=O	ZINC000100630568	556636728	/nfs/dbraw/zinc/63/67/28/556636728.db2.gz	ZRMGLJQVPMSBPO-INIZCTEOSA-N	0	0	431.496	2.310	50	5		IEBARN
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3C=CN21	ZINC000247306414	556792304	/nfs/dbraw/zinc/79/23/04/556792304.db2.gz	GUDLRFKUINIPKG-BDXSIMOUSA-N	0	0	438.827	2.485	50	5		IEBARN
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1	ZINC000010671333	556992660	/nfs/dbraw/zinc/99/26/60/556992660.db2.gz	FCQRBCMTUNBGQS-GJZGRUSLSA-N	0	0	449.485	2.410	50	5		IEBARN
C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000098004333	557007137	/nfs/dbraw/zinc/00/71/37/557007137.db2.gz	FWZQGQGIHMVKQX-YGRGUWMTSA-N	0	0	448.501	2.298	50	5		IEBARN
Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)CCn3cnc([N+](=O)[O-])c3)C2=O)cc1	ZINC000098004448	557007612	/nfs/dbraw/zinc/00/76/12/557007612.db2.gz	MWTVXKYTDCIZGS-XNTDXEJSSA-N	0	0	429.458	2.343	50	5		IEBARN
Cc1cc(NCCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000048302275	557063313	/nfs/dbraw/zinc/06/33/13/557063313.db2.gz	ITJXPKIJUKPCQB-GASCZTMLSA-N	0	0	435.506	2.211	50	5		IEBARN
CC(=O)OCCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c1nc1ccccn1c2=O	ZINC000100894485	557199003	/nfs/dbraw/zinc/19/90/03/557199003.db2.gz	RYPIUTIXSFFQBF-HNNXBMFYSA-N	0	0	445.479	2.183	50	5		IEBARN
COC(=O)Cn1c2cc3c(cc2s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1)OCCO3	ZINC000101035369	557214878	/nfs/dbraw/zinc/21/48/78/557214878.db2.gz	PVFQVGVXVANMPP-VXPUYCOJSA-N	0	0	429.410	2.296	50	5		IEBARN
COCCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c1nc1c(C)cccn1c2=O	ZINC000100628001	557266728	/nfs/dbraw/zinc/26/67/28/557266728.db2.gz	FOGLYUXOUQWXDE-UHFFFAOYSA-N	0	0	431.496	2.404	50	5		IEBARN
O=C(CNS(=O)(=O)/C=C\c1ccccc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000033413073	557339086	/nfs/dbraw/zinc/33/90/86/557339086.db2.gz	POAJTPDEPQCGGK-SREVYHEPSA-N	0	0	434.426	2.095	50	5		IEBARN
Cc1ccc(CN(C)C(=O)C2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)cc1	ZINC000023602288	557367861	/nfs/dbraw/zinc/36/78/61/557367861.db2.gz	YLXUIPTVODVAHT-UHFFFAOYSA-N	0	0	446.529	2.426	50	5		IEBARN
COCCNC(=O)CC1=CSC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc([N+](=O)[O-])cc3)N12	ZINC000102747211	557378471	/nfs/dbraw/zinc/37/84/71/557378471.db2.gz	AGDAVEJWAWMZNT-GOSISDBHSA-N	0	0	446.485	2.495	50	5		IEBARN
O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@H]2[C@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000103534046	557437835	/nfs/dbraw/zinc/43/78/35/557437835.db2.gz	HVJQWXQIMMIKCN-HCXYKTFWSA-N	0	0	434.383	2.331	50	5		IEBARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1	ZINC000000845796	557474176	/nfs/dbraw/zinc/47/41/76/557474176.db2.gz	RDOHRSJVJSHLSA-RXBGNRNISA-N	0	0	439.449	2.300	50	5		IEBARN
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCC[C@H]1O	ZINC000000854553	557830242	/nfs/dbraw/zinc/83/02/42/557830242.db2.gz	WMPNPDAPYZRGSP-RTBURBONSA-N	0	0	433.486	2.210	50	5		IEBARN
CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000011852708	557836300	/nfs/dbraw/zinc/83/63/00/557836300.db2.gz	JBTZNOHJYSPZTF-UHFFFAOYSA-N	0	0	427.460	2.336	50	5		IEBARN
COc1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1OC	ZINC000000893220	557860522	/nfs/dbraw/zinc/86/05/22/557860522.db2.gz	WWHRKERPLWEMNJ-UHFFFAOYSA-N	0	0	429.429	2.219	50	5		IEBARN
Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2cccc([N+](=O)[O-])c2)cc1	ZINC000001132880	562920668	/nfs/dbraw/zinc/92/06/68/562920668.db2.gz	VCISORZUXXDNSE-SFHVURJKSA-N	0	0	433.486	2.394	50	5		IEBARN
COc1ccc(C(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)cc1[N+](=O)[O-]	ZINC000006181967	562946406	/nfs/dbraw/zinc/94/64/06/562946406.db2.gz	OMHVZEMXHGMJGH-SXGWCWSVSA-N	0	0	428.426	2.465	50	5		IEBARN
Cn1c2cc([N+](=O)[O-])c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2n(C)c1=O	ZINC000008666724	562960577	/nfs/dbraw/zinc/96/05/77/562960577.db2.gz	YIWWMBNFTSXNNW-UHFFFAOYSA-N	0	0	429.864	2.401	50	5		IEBARN
Cc1cc(NC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c([N+](=O)[O-])cc1C	ZINC000009613192	562974232	/nfs/dbraw/zinc/97/42/32/562974232.db2.gz	BRVLGBGAOZDPOV-UHFFFAOYSA-N	0	0	441.849	2.308	50	5		IEBARN
CS(=O)(=O)c1cccc2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)nc21	ZINC000010337250	562978648	/nfs/dbraw/zinc/97/86/48/562978648.db2.gz	PLASAXXWYZWVPR-UHFFFAOYSA-N	0	0	436.471	2.163	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000013005597	562983928	/nfs/dbraw/zinc/98/39/28/562983928.db2.gz	GDQHJSNLHJGZKO-CHWSQXEVSA-N	0	0	431.401	2.115	50	5		IEBARN
COc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000000941688	568641431	/nfs/dbraw/zinc/64/14/31/568641431.db2.gz	KVQPOMLHEGJCCS-UHFFFAOYSA-N	0	0	447.787	2.035	50	5		IEBARN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCc2ccccc2[C@H]1CNC(=O)C1CCCCC1	ZINC000001022367	568652978	/nfs/dbraw/zinc/65/29/78/568652978.db2.gz	DAEBLOFIIVIRPM-GOSISDBHSA-N	0	0	426.477	2.009	50	5		IEBARN
CC(C)NC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000001132034	568661562	/nfs/dbraw/zinc/66/15/62/568661562.db2.gz	JXYMLRSYEABNSV-UHFFFAOYSA-N	0	0	434.474	2.138	50	5		IEBARN
COC(=O)c1ccc([C@@H](C)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)o1	ZINC000025943355	568795035	/nfs/dbraw/zinc/79/50/35/568795035.db2.gz	DXRYRNZDFWZKBU-CQSZACIVSA-N	0	0	437.474	2.350	50	5		IEBARN
NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl	ZINC000015981665	568861730	/nfs/dbraw/zinc/86/17/30/568861730.db2.gz	ZWYPPRNDSRQYLA-UHFFFAOYSA-N	0	0	448.240	2.345	50	5		IEBARN
COc1ccc(OC)c2c1CN(CC(=O)N1CCCc3cc([N+](=O)[O-])ccc31)C[C@H]2O	ZINC000026159213	568866439	/nfs/dbraw/zinc/86/64/39/568866439.db2.gz	PKGSJKFULOQARF-GOSISDBHSA-N	0	0	427.457	2.440	50	5		IEBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C2=Cc3ccccc3OC2)CC1	ZINC000013018418	568901845	/nfs/dbraw/zinc/90/18/45/568901845.db2.gz	LCYPUULMYSNMFX-UHFFFAOYSA-N	0	0	443.481	2.212	50	5		IEBARN
COc1cc(-c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc(OC)c1OC	ZINC000001872149	568917186	/nfs/dbraw/zinc/91/71/86/568917186.db2.gz	JVPZFOAMCPPYJZ-PXNMLYILSA-N	0	0	440.437	2.300	50	5		IEBARN
C[C@@H](C(=O)Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000089573996	568937929	/nfs/dbraw/zinc/93/79/29/568937929.db2.gz	IKHOINUOPBTPRB-AWEZNQCLSA-N	0	0	436.465	2.067	50	5		IEBARN
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000089573912	568938008	/nfs/dbraw/zinc/93/80/08/568938008.db2.gz	RWTCDEKLHBMWBX-CQSZACIVSA-N	0	0	436.465	2.067	50	5		IEBARN
CCC[C@@H]1NC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1=O	ZINC000016695285	568938126	/nfs/dbraw/zinc/93/81/26/568938126.db2.gz	NLSGLHYOCFGWAA-ZDUSSCGKSA-N	0	0	429.399	2.414	50	5		IEBARN
COc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	ZINC000002061179	568941211	/nfs/dbraw/zinc/94/12/11/568941211.db2.gz	WHKWRHHFJCIVRS-UHFFFAOYSA-N	0	0	437.474	2.332	50	5		IEBARN
O=C(NC1CCCC1)[C@@H](c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC2(CC1)OCCO2	ZINC000036067090	568945018	/nfs/dbraw/zinc/94/50/18/568945018.db2.gz	YVAXYKNWEACLGL-LJQANCHMSA-N	0	0	433.461	2.262	50	5		IEBARN
CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)c3ccco3)C[C@@H]12	ZINC000169679383	568991063	/nfs/dbraw/zinc/99/10/63/568991063.db2.gz	AVQHRKPFTAKJFW-MJGOQNOKSA-N	0	0	426.473	2.463	50	5		IEBARN
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000089807686	569165143	/nfs/dbraw/zinc/16/51/43/569165143.db2.gz	RNBHJRJCRIPTMH-WMLDXEAASA-N	0	0	442.472	2.285	50	5		IEBARN
Cc1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)cc1	ZINC000252593805	569192840	/nfs/dbraw/zinc/19/28/40/569192840.db2.gz	BMFUCMFNLSRSRF-GKAYAJSDSA-N	0	0	433.420	2.146	50	5		IEBARN
COC(=O)C1=C(C)N=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1	ZINC000252666339	569209583	/nfs/dbraw/zinc/20/95/83/569209583.db2.gz	BESBDYJRBPEXJF-KRWDZBQOSA-N	0	0	441.490	2.378	50	5		IEBARN
CCN(CC)S(=O)(=O)c1ccc(OCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1	ZINC000008825013	569290893	/nfs/dbraw/zinc/29/08/93/569290893.db2.gz	HLZKQYBGARBVJH-UHFFFAOYSA-N	0	0	433.442	2.258	50	5		IEBARN
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1	ZINC000009494216	569296721	/nfs/dbraw/zinc/29/67/21/569296721.db2.gz	DHXNYPUSFZPJSV-WPNIOXTASA-N	0	0	435.461	2.316	50	5		IEBARN
COCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000225516964	569305529	/nfs/dbraw/zinc/30/55/29/569305529.db2.gz	JDWVLORLUVQXKL-SFHVURJKSA-N	0	0	432.458	2.290	50	5		IEBARN
Nn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000013001600	569306122	/nfs/dbraw/zinc/30/61/22/569306122.db2.gz	FGGACLLUZUABGK-UHFFFAOYSA-N	0	0	436.400	2.488	50	5		IEBARN
COCCNc1ccc(C(=O)N2CCc3ccc(S(C)(=O)=O)cc3CC2)cc1[N+](=O)[O-]	ZINC000328589658	569316695	/nfs/dbraw/zinc/31/66/95/569316695.db2.gz	ZPPRFXREIASIBX-UHFFFAOYSA-N	0	0	447.513	2.298	50	5		IEBARN
NC(=O)[C@H]1CCCN1Cc1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000078743358	569318851	/nfs/dbraw/zinc/31/88/51/569318851.db2.gz	UGJYHVVZVKVFJR-LJQANCHMSA-N	0	0	434.456	2.483	50	5		IEBARN
NC(=O)[C@@H]1CCCN1Cc1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000078743367	569318869	/nfs/dbraw/zinc/31/88/69/569318869.db2.gz	UGJYHVVZVKVFJR-IBGZPJMESA-N	0	0	434.456	2.483	50	5		IEBARN
CCn1c(CCn2cc([N+](=O)[O-])cn2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000019644440	569324842	/nfs/dbraw/zinc/32/48/42/569324842.db2.gz	OBQVLKJWIOAKLQ-UHFFFAOYSA-N	0	0	446.449	2.284	50	5		IEBARN
CCOC(=O)c1cn(CCNc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])cn1	ZINC000225534450	569403752	/nfs/dbraw/zinc/40/37/52/569403752.db2.gz	XLPLJYUQRDVNSH-UHFFFAOYSA-N	0	0	439.494	2.111	50	5		IEBARN
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(CO)(NC(=O)OC(C)(C)C)CC2)cc1C	ZINC000225546022	569403961	/nfs/dbraw/zinc/40/39/61/569403961.db2.gz	UXHLQOZZNMCESV-UHFFFAOYSA-N	0	0	443.522	2.252	50	5		IEBARN
CCC[C@@]1(COC)CCCN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000225577963	569404818	/nfs/dbraw/zinc/40/48/18/569404818.db2.gz	MWKCLNKRGRPVJO-FQEVSTJZSA-N	0	0	440.566	2.316	50	5		IEBARN
CCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)/c1=N\C(=O)c1ccncc1	ZINC000002496142	569405726	/nfs/dbraw/zinc/40/57/26/569405726.db2.gz	VLTNBGKZHWODJD-LHLOQNFPSA-N	0	0	431.452	2.372	50	5		IEBARN
CNS(=O)(=O)c1ccc(N2CCC23CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c1	ZINC000225647670	569406373	/nfs/dbraw/zinc/40/63/73/569406373.db2.gz	KLBAKWSLZTVZAV-UHFFFAOYSA-N	0	0	440.522	2.483	50	5		IEBARN
CN(C)C(=O)N1CCN(C(=O)C(C)(C)Nc2ccc(Br)cc2[N+](=O)[O-])CC1	ZINC000225730731	569407657	/nfs/dbraw/zinc/40/76/57/569407657.db2.gz	SQWVCBRWQUIROX-UHFFFAOYSA-N	0	0	442.314	2.374	50	5		IEBARN
NC(=O)c1cnn(-c2ccccc2)c1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000002659586	569415911	/nfs/dbraw/zinc/41/59/11/569415911.db2.gz	SKBQJQRVTKRCDG-UHFFFAOYSA-N	0	0	437.441	2.487	50	5		IEBARN
O=C(NCCCO)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(Br)o1	ZINC000002821379	569423031	/nfs/dbraw/zinc/42/30/31/569423031.db2.gz	YKTKQINHMITREB-RAXLEYEMSA-N	0	0	438.234	2.220	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1	ZINC000002853519	569423474	/nfs/dbraw/zinc/42/34/74/569423474.db2.gz	QTTHEQNOUINCFJ-MRXNPFEDSA-N	0	0	433.442	2.230	50	5		IEBARN
Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)cc1[N+](=O)[O-]	ZINC000002879492	569423867	/nfs/dbraw/zinc/42/38/67/569423867.db2.gz	XQQDPQVJMQRMFZ-UHFFFAOYSA-N	0	0	430.446	2.286	50	5		IEBARN
O=C(NCCO)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1	ZINC000002998343	569434938	/nfs/dbraw/zinc/43/49/38/569434938.db2.gz	LWBHUWJNDPLAJZ-YBEGLDIGSA-N	0	0	434.246	2.237	50	5		IEBARN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@H]12)N1CCOCC1	ZINC000230127932	569438821	/nfs/dbraw/zinc/43/88/21/569438821.db2.gz	ABRGKVRTSDYFSR-IFMALSPDSA-N	0	0	440.475	2.460	50	5		IEBARN
Cc1c(C(=O)Cn2nnc(N3CCOCC3)n2)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-]	ZINC000003126798	569440532	/nfs/dbraw/zinc/44/05/32/569440532.db2.gz	QJIITWOBSBYOMZ-UHFFFAOYSA-N	0	0	447.452	2.123	50	5		IEBARN
Cn1cnnc1Sc1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1[N+](=O)[O-]	ZINC000003240818	569442577	/nfs/dbraw/zinc/44/25/77/569442577.db2.gz	WPDGWTCAYGWXGS-UHFFFAOYSA-N	0	0	441.469	2.390	50	5		IEBARN
CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000003416724	569450267	/nfs/dbraw/zinc/45/02/67/569450267.db2.gz	MPCNJHYXZBOBKL-UHFFFAOYSA-N	0	0	438.462	2.445	50	5		IEBARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000003496534	569452686	/nfs/dbraw/zinc/45/26/86/569452686.db2.gz	PHJANZXACDZFIC-UHFFFAOYSA-N	0	0	441.487	2.482	50	5		IEBARN
C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCS(=O)(=O)c2ccc(Cl)cc2)C1=O	ZINC000031661710	569456980	/nfs/dbraw/zinc/45/69/80/569456980.db2.gz	VNJIDUUYATZATP-SFHVURJKSA-N	0	0	437.861	2.489	50	5		IEBARN
CC(C)[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O	ZINC000004008907	569458022	/nfs/dbraw/zinc/45/80/22/569458022.db2.gz	IPJWKCLBWAIBPY-ACOUUOOQSA-N	0	0	428.441	2.376	50	5		IEBARN
COc1ccc(-c2cc(C(F)(F)F)nc(-n3cc([N+](=O)[O-])c(C(N)=O)n3)n2)cc1OC	ZINC000004176543	569460598	/nfs/dbraw/zinc/46/05/98/569460598.db2.gz	GFFOTZXRLOUXFM-UHFFFAOYSA-N	0	0	438.322	2.372	50	5		IEBARN
Cc1nn(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)c(C)c1[N+](=O)[O-]	ZINC000008734233	569472455	/nfs/dbraw/zinc/47/24/55/569472455.db2.gz	NADKJIPNLKOONY-GDNBJRDFSA-N	0	0	429.458	2.261	50	5		IEBARN
O=C(Cn1c(=O)c2sccc2n(Cc2ccc([N+](=O)[O-])cc2)c1=O)N1CCCCC1	ZINC000008766959	569474839	/nfs/dbraw/zinc/47/48/39/569474839.db2.gz	FUQYGGXEPGFFRY-UHFFFAOYSA-N	0	0	428.470	2.194	50	5		IEBARN
CCOC(=O)C1=C(N)Oc2n[nH]c(-c3cccc([N+](=O)[O-])c3)c2[C@]12c1ccccc1NC2=O	ZINC000008856046	569479713	/nfs/dbraw/zinc/47/97/13/569479713.db2.gz	MURHIBOGRAVOTL-JOCHJYFZSA-N	0	0	447.407	2.349	50	5		IEBARN
O=C(CCCc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)N1CCOCC1	ZINC000040158677	569494571	/nfs/dbraw/zinc/49/45/71/569494571.db2.gz	XCZUUGZWSXWUMY-UHFFFAOYSA-N	0	0	429.480	2.486	50	5		IEBARN
CCN(CC(=O)NC(C)C)C(=O)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C	ZINC000009127503	569505193	/nfs/dbraw/zinc/50/51/93/569505193.db2.gz	XICDKOJAKWGLNW-KRWDZBQOSA-N	0	0	426.901	2.376	50	5		IEBARN
COc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000009359764	569525716	/nfs/dbraw/zinc/52/57/16/569525716.db2.gz	BBWKCPDXGRFBBB-QGZVFWFLSA-N	0	0	434.470	2.198	50	5		IEBARN
Cc1cccn2cc(COc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])nc12	ZINC000009367224	569526379	/nfs/dbraw/zinc/52/63/79/569526379.db2.gz	MHLMHHAAOARUSM-UHFFFAOYSA-N	0	0	432.458	2.151	50	5		IEBARN
Cn1c(=O)c2c(SCc3cccnc3)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O	ZINC000009382549	569528348	/nfs/dbraw/zinc/52/83/48/569528348.db2.gz	YDYCINSNGQQCLG-UHFFFAOYSA-N	0	0	436.453	2.290	50	5		IEBARN
CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000009392320	569529089	/nfs/dbraw/zinc/52/90/89/569529089.db2.gz	SAWBSUXPTXWSKJ-KRWDZBQOSA-N	0	0	438.487	2.077	50	5		IEBARN
C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2=O	ZINC000009442580	569535591	/nfs/dbraw/zinc/53/55/91/569535591.db2.gz	MLFMUQGWTCHGQX-MPBGBICISA-N	0	0	443.416	2.189	50	5		IEBARN
O=C(CSc1nc2ccccc2c2nc3ccccc3n21)N[C@H]1CCS(=O)(=O)C1	ZINC000009467524	569538457	/nfs/dbraw/zinc/53/84/57/569538457.db2.gz	DQCJEMBTGVAMQD-ZDUSSCGKSA-N	0	0	426.523	2.431	50	5		IEBARN
Cn1c(=O)c2c(SCc3cccnc3)nc(-c3cccc([N+](=O)[O-])c3)nc2n(C)c1=O	ZINC000009517612	569543660	/nfs/dbraw/zinc/54/36/60/569543660.db2.gz	NWVZKVIXRHWAPA-UHFFFAOYSA-N	0	0	436.453	2.290	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(=O)n(Cc2ccccc2)n1	ZINC000009593835	569550480	/nfs/dbraw/zinc/55/04/80/569550480.db2.gz	LKOZJUKYXGYCGZ-UHFFFAOYSA-N	0	0	438.396	2.004	50	5		IEBARN
CCOc1ccc(CCNC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N)cc1OCC	ZINC000009635351	569554704	/nfs/dbraw/zinc/55/47/04/569554704.db2.gz	MQYICYWTBBKRGI-UHFFFAOYSA-N	0	0	431.445	2.490	50	5		IEBARN
O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)c2c1Nc1nnnn1[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000010296231	569580502	/nfs/dbraw/zinc/58/05/02/569580502.db2.gz	KZTJALPDYAPRQA-INIZCTEOSA-N	0	0	433.344	2.347	50	5		IEBARN
COC(=O)c1ccc([C@H]2c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c(=O)c3Nc3nnnn32)cc1	ZINC000010296654	569580579	/nfs/dbraw/zinc/58/05/79/569580579.db2.gz	LREZSNNOMQLINY-KRWDZBQOSA-N	0	0	446.383	2.225	50	5		IEBARN
COC(=O)c1ccc([C@@H]2c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c(=O)c3Nc3nnnn32)cc1	ZINC000010296649	569580587	/nfs/dbraw/zinc/58/05/87/569580587.db2.gz	LREZSNNOMQLINY-QGZVFWFLSA-N	0	0	446.383	2.225	50	5		IEBARN
COc1ccc(OC)c([C@@H]2c3c(-c4ccc([N+](=O)[O-])cc4)n[nH]c(=O)c3Nc3nnnn32)c1	ZINC000010296322	569580592	/nfs/dbraw/zinc/58/05/92/569580592.db2.gz	IHTRKTUZWGJSQW-GOSISDBHSA-N	0	0	448.399	2.456	50	5		IEBARN
O=c1[nH]nc(-c2cccc([N+](=O)[O-])c2)c2c1Nc1nnnn1[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000010296528	569580611	/nfs/dbraw/zinc/58/06/11/569580611.db2.gz	IGYUFKCIYCLSLC-MRXNPFEDSA-N	0	0	433.344	2.347	50	5		IEBARN
CN(C)c1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1[N+](=O)[O-]	ZINC000010375028	569581538	/nfs/dbraw/zinc/58/15/38/569581538.db2.gz	IBSCQGDEFKTQQC-UHFFFAOYSA-N	0	0	432.502	2.244	50	5		IEBARN
Cc1nn(Cc2ccc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)o2)c(C)c1[N+](=O)[O-]	ZINC000000655196	193874366	/nfs/dbraw/zinc/87/43/66/193874366.db2.gz	NTNFSMLRXCUIOB-INIZCTEOSA-N	0	0	433.318	2.470	50	5		IEBARN
CC1CCN(c2ccc(N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)nn2)CC1	ZINC000010221061	132243907	/nfs/dbraw/zinc/24/39/07/132243907.db2.gz	ZORUJLQBMJVRNF-UHFFFAOYSA-N	0	0	446.533	2.132	50	5		IEBARN
O=c1/c(=C/c2cccc(Br)c2)sc2n1CN(c1cccc([N+](=O)[O-])c1)CN=2	ZINC000002284514	132251242	/nfs/dbraw/zinc/25/12/42/132251242.db2.gz	RYOGVIGAWWHZGM-PXNMLYILSA-N	0	0	445.298	2.464	50	5		IEBARN
Cn1c2cc([N+](=O)[O-])c(N3CCN(C(=O)c4cccc(Cl)c4)CC3)cc2n(C)c1=O	ZINC000008683497	132290299	/nfs/dbraw/zinc/29/02/99/132290299.db2.gz	GRHQONKRBDGRAB-UHFFFAOYSA-N	0	0	429.864	2.401	50	5		IEBARN
COC(=O)c1ccc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1	ZINC000008855463	132296173	/nfs/dbraw/zinc/29/61/73/132296173.db2.gz	WDBYWUCHIHHCBB-UHFFFAOYSA-N	0	0	428.401	2.464	50	5		IEBARN
COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000008995827	132300157	/nfs/dbraw/zinc/30/01/57/132300157.db2.gz	PBOQTMBVNUUCTD-UHFFFAOYSA-N	0	0	426.429	2.302	50	5		IEBARN
O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1	ZINC000010487130	132335994	/nfs/dbraw/zinc/33/59/94/132335994.db2.gz	PLEZKZAWMSKFPO-UHFFFAOYSA-N	0	0	433.424	2.400	50	5		IEBARN
CC(C)CN(C(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000021613211	519705169	/nfs/dbraw/zinc/70/51/69/519705169.db2.gz	JHSSXUYOVOIZHW-ZDUSSCGKSA-N	0	0	432.882	2.077	50	5		IEBARN
CC(C)OC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000012856405	519742622	/nfs/dbraw/zinc/74/26/22/519742622.db2.gz	MKPLSVFOSAULAA-CQSZACIVSA-N	0	0	436.804	2.340	50	5		IEBARN
CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000012523248	520320479	/nfs/dbraw/zinc/32/04/79/520320479.db2.gz	KUCFLXIFQITVCL-UHFFFAOYSA-N	0	0	434.474	2.300	50	5		IEBARN
CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000012564877	521424786	/nfs/dbraw/zinc/42/47/86/521424786.db2.gz	OUDLYGXGOGFLSU-UHFFFAOYSA-N	0	0	446.441	2.280	50	5		IEBARN
COC(=O)c1ccc(CN2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1	ZINC000012740720	522009350	/nfs/dbraw/zinc/00/93/50/522009350.db2.gz	SAWXVCNBZBJBJW-UHFFFAOYSA-N	0	0	433.486	2.196	50	5		IEBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000015981722	522979488	/nfs/dbraw/zinc/97/94/88/522979488.db2.gz	SOGNKRGCAREADM-OAHLLOKOSA-N	0	0	427.413	2.134	50	5		IEBARN
COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccn3)C[C@H]12	ZINC000035894587	523363381	/nfs/dbraw/zinc/36/33/81/523363381.db2.gz	CXXDUPBBQYZJTR-AZUAARDMSA-N	0	0	425.489	2.010	50	5		IEBARN
COC(=O)Cn1cc(S(=O)(=O)NCc2ccc(OC)cc2)c2cc([N+](=O)[O-])ccc21	ZINC000020558020	523401664	/nfs/dbraw/zinc/40/16/64/523401664.db2.gz	XGOLBKKWFGBDPG-UHFFFAOYSA-N	0	0	433.442	2.210	50	5		IEBARN
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-]	ZINC000012644646	525001142	/nfs/dbraw/zinc/00/11/42/525001142.db2.gz	BLSDFOSKYADBII-UHFFFAOYSA-N	0	0	427.410	2.010	50	5		IEBARN
Cc1ccc(NC(=O)CN(C)C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1	ZINC000021895727	525043841	/nfs/dbraw/zinc/04/38/41/525043841.db2.gz	TVJUCOMZSHZGDA-UHFFFAOYSA-N	0	0	435.440	2.468	50	5		IEBARN
CS(=O)(=O)c1ccc(NCCNC(=O)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1	ZINC000012641121	525256889	/nfs/dbraw/zinc/25/68/89/525256889.db2.gz	XPFWHFDPTPRIAC-UHFFFAOYSA-N	0	0	429.401	2.442	50	5		IEBARN
Cc1ccc(Nc2nc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)c2[N+](=O)[O-])cc1	ZINC000035681953	525327560	/nfs/dbraw/zinc/32/75/60/525327560.db2.gz	BMEWZMWUBUSBFI-UHFFFAOYSA-N	0	0	443.489	2.321	50	5		IEBARN
Cc1ccc([C@H](CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCOCC2)o1	ZINC000012558193	525959510	/nfs/dbraw/zinc/95/95/10/525959510.db2.gz	JOGLPRGGOWRTEV-FQEVSTJZSA-N	0	0	444.488	2.136	50	5		IEBARN
Cc1cc(=O)c(C(=O)N(C)CC(=O)Nc2cccc(F)c2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000012750799	526124278	/nfs/dbraw/zinc/12/42/78/526124278.db2.gz	SNZFYUOOEPIZOE-UHFFFAOYSA-N	0	0	439.403	2.299	50	5		IEBARN
Cc1ccc(C(=O)NCC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1[N+](=O)[O-]	ZINC000022304570	526156033	/nfs/dbraw/zinc/15/60/33/526156033.db2.gz	ABLHVGIZOMRTKS-KBPBESRZSA-N	0	0	447.517	2.337	50	5		IEBARN
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1ccccc1OC(F)F	ZINC000020889983	526912526	/nfs/dbraw/zinc/91/25/26/526912526.db2.gz	WOIJRNPYPXEAQO-UHFFFAOYSA-N	0	0	425.344	2.396	50	5		IEBARN
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000012588171	526914247	/nfs/dbraw/zinc/91/42/47/526914247.db2.gz	ZURZNLCSTBTUSU-UHFFFAOYSA-N	0	0	437.430	2.158	50	5		IEBARN
O=C(Cn1cc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21)N1CCOCC1	ZINC000012226018	527369512	/nfs/dbraw/zinc/36/95/12/527369512.db2.gz	ZBIMVUVQGJHCLI-UHFFFAOYSA-N	0	0	443.481	2.382	50	5		IEBARN
COC(=O)c1cc(C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc([N+](=O)[O-])c1	ZINC000009461352	555574687	/nfs/dbraw/zinc/57/46/87/555574687.db2.gz	JTVTYSJBAZJUNP-UHFFFAOYSA-N	0	0	426.341	2.227	50	5		IEBARN
CCCCc1noc([C@H](C)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n1	ZINC000032761058	556326323	/nfs/dbraw/zinc/32/63/23/556326323.db2.gz	NOFJRDLYPUWLRR-ZDUSSCGKSA-N	0	0	440.478	2.481	50	5		IEBARN
COC(=O)c1ccc(N2CCN(CC(=O)c3cccc([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1	ZINC000036379998	556597827	/nfs/dbraw/zinc/59/78/27/556597827.db2.gz	FHMIGYPIFYANMS-UHFFFAOYSA-N	0	0	428.401	2.295	50	5		IEBARN
O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000033629629	556615564	/nfs/dbraw/zinc/61/55/64/556615564.db2.gz	VDEIFJKBNPGQIT-UHFFFAOYSA-N	0	0	439.877	2.160	50	5		IEBARN
CCc1cc2c(ncn(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2=O)s1	ZINC000024174677	556686451	/nfs/dbraw/zinc/68/64/51/556686451.db2.gz	ZDMLRYLSFJZXJU-UHFFFAOYSA-N	0	0	427.486	2.277	50	5		IEBARN
COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1	ZINC000013856786	556745899	/nfs/dbraw/zinc/74/58/99/556745899.db2.gz	YWIGJPRWHMSUMC-HNNXBMFYSA-N	0	0	426.381	2.160	50	5		IEBARN
COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1	ZINC000013856787	556746152	/nfs/dbraw/zinc/74/61/52/556746152.db2.gz	YWIGJPRWHMSUMC-OAHLLOKOSA-N	0	0	426.381	2.160	50	5		IEBARN
Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1C	ZINC000013856687	556746266	/nfs/dbraw/zinc/74/62/66/556746266.db2.gz	HVATYJCAHNMXGO-QGZVFWFLSA-N	0	0	439.424	2.131	50	5		IEBARN
CC(=O)N1CCC(N(CCCOC(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004687005	556879202	/nfs/dbraw/zinc/87/92/02/556879202.db2.gz	GDPBEGLPUYDMCJ-UHFFFAOYSA-N	0	0	427.523	2.412	50	5		IEBARN
O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000017741655	557114114	/nfs/dbraw/zinc/11/41/14/557114114.db2.gz	JGHDCHYUHJPYRL-LJQANCHMSA-N	0	0	428.397	2.123	50	5		IEBARN
Cc1c(C(=O)O[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cccc1[N+](=O)[O-]	ZINC000011398088	557139963	/nfs/dbraw/zinc/13/99/63/557139963.db2.gz	TVRSBOOWLVETIN-CYBMUJFWSA-N	0	0	435.458	2.338	50	5		IEBARN
COCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc([N+](=O)[O-])s1	ZINC000100872781	557195701	/nfs/dbraw/zinc/19/57/01/557195701.db2.gz	SQNFHEQVZULYJM-MSUUIHNZSA-N	0	0	441.512	2.464	50	5		IEBARN
COCCn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c1nc1ccc(C)cn1c2=O	ZINC000100943720	557203416	/nfs/dbraw/zinc/20/34/16/557203416.db2.gz	BFMQWWMODBGBBK-UHFFFAOYSA-N	0	0	442.472	2.055	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3N=CC=C[C@@H]23)C1O	ZINC000018102168	557237213	/nfs/dbraw/zinc/23/72/13/557237213.db2.gz	BQZZHVMILDBJOU-MVJPYGJCSA-N	0	0	446.419	2.200	50	5		IEBARN
COCCCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c1nc1ccccn1c2=O	ZINC000100633124	557267047	/nfs/dbraw/zinc/26/70/47/557267047.db2.gz	IRRLRKFXFWYNJK-UHFFFAOYSA-N	0	0	438.509	2.306	50	5		IEBARN
N=c1c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1	ZINC000100662612	557269158	/nfs/dbraw/zinc/26/91/58/557269158.db2.gz	VIAPNXCNGGTURL-UHFFFAOYSA-N	0	0	426.436	2.095	50	5		IEBARN
COCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccccc2)c1=N	ZINC000100675274	557269381	/nfs/dbraw/zinc/26/93/81/557269381.db2.gz	SJTRDEHBNLRDRB-UHFFFAOYSA-N	0	0	431.496	2.252	50	5		IEBARN
COc1cccc(C2=NO[C@@H]3C(=O)N(c4cc(OC)c([N+](=O)[O-])cc4C)C(O)=C23)c1OC	ZINC000101310310	557271827	/nfs/dbraw/zinc/27/18/27/557271827.db2.gz	QLADUVILBXBRHG-APWZRJJASA-N	0	0	441.396	2.222	50	5		IEBARN
COC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCc2ccc(OC)c(OC)c2)c1=N	ZINC000100752856	557276009	/nfs/dbraw/zinc/27/60/09/557276009.db2.gz	MBFJXPBYBJHAEK-UHFFFAOYSA-N	0	0	448.479	2.484	50	5	biogenic	IEBARN
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1	ZINC000000831306	557277998	/nfs/dbraw/zinc/27/79/98/557277998.db2.gz	DHXNYPUSFZPJSV-LYPXWFNGSA-N	0	0	435.461	2.316	50	5		IEBARN
CCOCCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c1nc1c(C)cccn1c2=O	ZINC000100097720	557293812	/nfs/dbraw/zinc/29/38/12/557293812.db2.gz	DPWSDECVRKCJHC-UHFFFAOYSA-N	0	0	446.511	2.189	50	5		IEBARN
Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-]	ZINC000023494963	557364572	/nfs/dbraw/zinc/36/45/72/557364572.db2.gz	LGEIMPWTRWNIMB-ZDUSSCGKSA-N	0	0	435.458	2.338	50	5		IEBARN
COc1cccc(C2=NO[C@H]3C(=O)N(c4cc(OC)c([N+](=O)[O-])cc4C)C(O)=C23)c1OC	ZINC000103529741	557438709	/nfs/dbraw/zinc/43/87/09/557438709.db2.gz	QLADUVILBXBRHG-VQIMIIECSA-N	0	0	441.396	2.222	50	5		IEBARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1	ZINC000000845798	557474347	/nfs/dbraw/zinc/47/43/47/557474347.db2.gz	RDOHRSJVJSHLSA-VHUCWBOISA-N	0	0	439.449	2.300	50	5		IEBARN
Cc1ccc(N2C(=O)[C@@H]3[C@H](C(C)C)[NH2+][C@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-]	ZINC000106021117	557512481	/nfs/dbraw/zinc/51/24/81/557512481.db2.gz	PZOZGFSRURKQCY-YWNPBTLJSA-N	0	0	434.452	2.484	50	5		IEBARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCOC[C@H]2CCO)c([N+](=O)[O-])c1	ZINC000108143725	557541450	/nfs/dbraw/zinc/54/14/50/557541450.db2.gz	GEWXQZGTPXSGPU-QGZVFWFLSA-N	0	0	435.502	2.398	50	5		IEBARN
COc1cc(C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1C	ZINC000025022213	557840251	/nfs/dbraw/zinc/84/02/51/557840251.db2.gz	BBGGUNDSUQHMBY-UHFFFAOYSA-N	0	0	443.456	2.426	50	5		IEBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)NCCc3ccccc3)CC2)cc1	ZINC000001056599	562920190	/nfs/dbraw/zinc/92/01/90/562920190.db2.gz	KLXMVLNMOLYYFG-UHFFFAOYSA-N	0	0	434.543	2.018	50	5		IEBARN
Cc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(Br)o2)cc1[N+](=O)[O-]	ZINC000002078501	562925676	/nfs/dbraw/zinc/92/56/76/562925676.db2.gz	CXUDFPOCGAJDDG-UHFFFAOYSA-N	0	0	425.191	2.415	50	5		IEBARN
C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000003323974	562934225	/nfs/dbraw/zinc/93/42/25/562934225.db2.gz	CATKSXIRUDFSIO-AWEZNQCLSA-N	0	0	434.470	2.293	50	5		IEBARN
COc1ccc([C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N2CCOCC2)cc1	ZINC000015170684	568731916	/nfs/dbraw/zinc/73/19/16/568731916.db2.gz	OAEFVAFNMSDUSP-HXUWFJFHSA-N	0	0	435.502	2.492	50	5		IEBARN
NC(=O)c1c(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc2c1CCCC2	ZINC000034886334	568738633	/nfs/dbraw/zinc/73/86/33/568738633.db2.gz	QCCALCWVIMLXFN-UHFFFAOYSA-N	0	0	443.529	2.395	50	5		IEBARN
CCc1n[nH]c(=O)c(CNC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1CC	ZINC000083817658	568782632	/nfs/dbraw/zinc/78/26/32/568782632.db2.gz	MQSBSHJEYHBYOZ-UHFFFAOYSA-N	0	0	443.489	2.013	50	5		IEBARN
COC(=O)c1ccc([C@H](C)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)o1	ZINC000025943359	568795061	/nfs/dbraw/zinc/79/50/61/568795061.db2.gz	DXRYRNZDFWZKBU-AWEZNQCLSA-N	0	0	437.474	2.350	50	5		IEBARN
CCOCCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c1nc1ccccn1c2=O	ZINC000100628066	568838703	/nfs/dbraw/zinc/83/87/03/568838703.db2.gz	YKOOZYNRSZOPSC-UHFFFAOYSA-N	0	0	431.496	2.485	50	5		IEBARN
Cc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1[N+](=O)[O-]	ZINC000015882324	568856252	/nfs/dbraw/zinc/85/62/52/568856252.db2.gz	USNVWKKIHLDOEM-UHFFFAOYSA-N	0	0	446.533	2.194	50	5		IEBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1	ZINC000015882328	568856394	/nfs/dbraw/zinc/85/63/94/568856394.db2.gz	IBWRXKGOYKBHPX-UHFFFAOYSA-N	0	0	446.533	2.276	50	5		IEBARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1	ZINC000015922374	568858737	/nfs/dbraw/zinc/85/87/37/568858737.db2.gz	PXWRDNPUUVLOCF-OBHPCNEJSA-N	0	0	441.490	2.378	50	5		IEBARN
COc1cc(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC	ZINC000016039541	568867963	/nfs/dbraw/zinc/86/79/63/568867963.db2.gz	QHLDHCHSMTXJKX-NSHDSACASA-N	0	0	432.385	2.202	50	5		IEBARN
COc1ccc(C(=O)Nn2cc3c(c2-c2cccc([N+](=O)[O-])c2)c(=O)n(C)c(=O)n3C)cc1	ZINC000016425274	568896713	/nfs/dbraw/zinc/89/67/13/568896713.db2.gz	ZYWZCTAMLCNILH-UHFFFAOYSA-N	0	0	449.423	2.006	50	5		IEBARN
Cn1c(=O)c(=O)n(C)c2cc(N3CCN(c4cccc(Cl)c4)CC3)c([N+](=O)[O-])cc21	ZINC000016475491	568906953	/nfs/dbraw/zinc/90/69/53/568906953.db2.gz	UXQUIGVTWFVDHX-UHFFFAOYSA-N	0	0	429.864	2.125	50	5		IEBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@H](C)C(=O)NC2CCCCC2)CC1	ZINC000016520700	568920848	/nfs/dbraw/zinc/92/08/48/568920848.db2.gz	RREFQTBMONCOTN-MRXNPFEDSA-N	0	0	438.550	2.047	50	5		IEBARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]3C=CC=NN23)cc1	ZINC000138285407	568944083	/nfs/dbraw/zinc/94/40/83/568944083.db2.gz	UREIMRHCAAQQFO-NMLBUPMWSA-N	0	0	446.419	2.200	50	5		IEBARN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccn3)C[C@@H]12)N1CCSCC1	ZINC000169681559	568992358	/nfs/dbraw/zinc/99/23/58/568992358.db2.gz	SQLKJZYESRBZJX-QUCCMNQESA-N	0	0	439.541	2.433	50	5		IEBARN
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000036395175	569098704	/nfs/dbraw/zinc/09/87/04/569098704.db2.gz	VLPXJPDFVSGTTN-UHFFFAOYSA-N	0	0	425.401	2.343	50	5		IEBARN
O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(CSc2nc[nH]n2)cc1	ZINC000170594828	569141540	/nfs/dbraw/zinc/14/15/40/569141540.db2.gz	YHJNSNSAQPRUBO-UHFFFAOYSA-N	0	0	447.498	2.209	50	5		IEBARN
COC(=O)C1=C(C)N=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1	ZINC000252667713	569209686	/nfs/dbraw/zinc/20/96/86/569209686.db2.gz	DHXNYPUSFZPJSV-IBGZPJMESA-N	0	0	435.461	2.316	50	5		IEBARN
COC(=O)C1=C(C)N=c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1	ZINC000252667714	569209710	/nfs/dbraw/zinc/20/97/10/569209710.db2.gz	DHXNYPUSFZPJSV-LJQANCHMSA-N	0	0	435.461	2.316	50	5		IEBARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000252677751	569210544	/nfs/dbraw/zinc/21/05/44/569210544.db2.gz	ZSEARIISKXNDIG-SFHVURJKSA-N	0	0	439.449	2.300	50	5		IEBARN
COCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000253427550	569267399	/nfs/dbraw/zinc/26/73/99/569267399.db2.gz	NFDPPRBPIYJBGJ-GOSISDBHSA-N	0	0	432.458	2.290	50	5		IEBARN
CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000009095831	569293650	/nfs/dbraw/zinc/29/36/50/569293650.db2.gz	CKJZHPURZXZXQW-UHFFFAOYSA-N	0	0	430.446	2.460	50	5		IEBARN
CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000009187086	569294081	/nfs/dbraw/zinc/29/40/81/569294081.db2.gz	KDVDUJUSRYTRPK-UHFFFAOYSA-N	0	0	443.503	2.435	50	5		IEBARN
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCC[C@@H]1O	ZINC000013389048	569315299	/nfs/dbraw/zinc/31/52/99/569315299.db2.gz	WMPNPDAPYZRGSP-MOPGFXCFSA-N	0	0	433.486	2.210	50	5		IEBARN
Cn1cc(CN2CCN(C(=O)c3ccc(Cn4cc(Cl)c([N+](=O)[O-])n4)cc3)CC2)cn1	ZINC000019639348	569324681	/nfs/dbraw/zinc/32/46/81/569324681.db2.gz	AXQKYTFUBSJOIA-UHFFFAOYSA-N	0	0	443.895	2.185	50	5		IEBARN
Nc1cc(=O)[nH]c(SCCN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1	ZINC000020136224	569335250	/nfs/dbraw/zinc/33/52/50/569335250.db2.gz	HAJNGRXCQISHFK-UHFFFAOYSA-N	0	0	444.439	2.193	50	5		IEBARN
COc1cc(-c2cc(N)n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1OC	ZINC000020330752	569360882	/nfs/dbraw/zinc/36/08/82/569360882.db2.gz	DXMFFJPNRBNCMR-UHFFFAOYSA-N	0	0	434.430	2.303	50	5		IEBARN
COc1ccccc1CN1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000095348999	569361689	/nfs/dbraw/zinc/36/16/89/569361689.db2.gz	SWRAWTTZKSKQHV-UHFFFAOYSA-N	0	0	426.473	2.068	50	5		IEBARN
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1	ZINC000096126944	569385773	/nfs/dbraw/zinc/38/57/73/569385773.db2.gz	LLXMCLBTHQIIPX-KSZLIROESA-N	0	0	431.537	2.044	50	5		IEBARN
O=C(NCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	ZINC000096301233	569392013	/nfs/dbraw/zinc/39/20/13/569392013.db2.gz	IVYQOTUAWMEXRB-IBGZPJMESA-N	0	0	442.447	2.275	50	5		IEBARN
O=C(N[C@@H](NC(=S)Nc1nc[nH]n1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1	ZINC000028294831	569409505	/nfs/dbraw/zinc/40/95/05/569409505.db2.gz	YLAHSHADTPQGDI-VIFPVBQESA-N	0	0	438.684	2.126	50	5		IEBARN
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000002635056	569412870	/nfs/dbraw/zinc/41/28/70/569412870.db2.gz	USMPDZRPOSPEKE-SFHVURJKSA-N	0	0	447.469	2.238	50	5		IEBARN
O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2)c1ccc2c(c1)OCO2	ZINC000003009193	569435116	/nfs/dbraw/zinc/43/51/16/569435116.db2.gz	MOYNWOKCVVCTCE-UHFFFAOYSA-N	0	0	442.409	2.190	50	5		IEBARN
CS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-]	ZINC000003365663	569448149	/nfs/dbraw/zinc/44/81/49/569448149.db2.gz	CSROMEFTLDPSQS-MRXNPFEDSA-N	0	0	432.454	2.349	50	5		IEBARN
COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c([N+](=O)[O-])c1	ZINC000003443767	569451304	/nfs/dbraw/zinc/45/13/04/569451304.db2.gz	HIPWVRRWOBESCW-UHFFFAOYSA-N	0	0	435.458	2.405	50	5		IEBARN
CC(C)[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O	ZINC000004008906	569457976	/nfs/dbraw/zinc/45/79/76/569457976.db2.gz	IPJWKCLBWAIBPY-SOXQQHAUSA-N	0	0	428.441	2.376	50	5		IEBARN
CC(C)[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O	ZINC000004157441	569460553	/nfs/dbraw/zinc/46/05/53/569460553.db2.gz	MUYAOMABERELRC-AQQQZIQISA-N	0	0	428.441	2.376	50	5		IEBARN
O=C(Cn1c(=O)c2sccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O)N1CCCCC1	ZINC000008769274	569475062	/nfs/dbraw/zinc/47/50/62/569475062.db2.gz	MLFYICGBDMKHPC-UHFFFAOYSA-N	0	0	428.470	2.194	50	5		IEBARN
Cc1cc(C(=O)OCC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)ccc1[N+](=O)[O-]	ZINC000039585409	569481750	/nfs/dbraw/zinc/48/17/50/569481750.db2.gz	OZVHNKNWMYWHKL-QGZVFWFLSA-N	0	0	438.502	2.408	50	5		IEBARN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nccs3)C2)cc1[N+](=O)[O-]	ZINC000040149896	569491241	/nfs/dbraw/zinc/49/12/41/569491241.db2.gz	FHFDHRJHSDBPNA-LLVKDONJSA-N	0	0	426.476	2.099	50	5		IEBARN
Cn1c2nc3n(cc(-c4ccc([N+](=O)[O-])cc4)n3-c3ccc(F)cc3)c2c(=O)n(C)c1=O	ZINC000009158475	569508530	/nfs/dbraw/zinc/50/85/30/569508530.db2.gz	ANIYFNUWISSTNN-UHFFFAOYSA-N	0	0	434.387	2.390	50	5		IEBARN
CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4O[C@@H]([C@H]3C2=O)[C@@H]2C(c3cccc([N+](=O)[O-])c3)=NO[C@H]42)cc1	ZINC000009243047	569514736	/nfs/dbraw/zinc/51/47/36/569514736.db2.gz	KSSREHMCEWBTJU-LLGWXDCBSA-N	0	0	447.403	2.103	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C(C)=O)N3N=Cc4ccccc4[C@@H]3[C@H]2C1=O	ZINC000009353827	569524996	/nfs/dbraw/zinc/52/49/96/569524996.db2.gz	XFAYNBZCTHYGMB-FUMNGEBKSA-N	0	0	434.408	2.071	50	5		IEBARN
Cc1c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cccc1[N+](=O)[O-]	ZINC000009509938	569542657	/nfs/dbraw/zinc/54/26/57/569542657.db2.gz	NYNNFWQZRRHCAI-UHFFFAOYSA-N	0	0	447.469	2.483	50	5		IEBARN
O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1F	ZINC000009579874	569548611	/nfs/dbraw/zinc/54/86/11/569548611.db2.gz	KJJUXAHQBXJHOB-UHFFFAOYSA-N	0	0	427.385	2.146	50	5		IEBARN
COc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1	ZINC000009632221	569553966	/nfs/dbraw/zinc/55/39/66/569553966.db2.gz	GAGFMTDSQBQDIX-UHFFFAOYSA-N	0	0	435.458	2.405	50	5		IEBARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009634318	569554406	/nfs/dbraw/zinc/55/44/06/569554406.db2.gz	ANULKKKMWNPSFT-CLCOLTQESA-N	0	0	447.407	2.012	50	5		IEBARN
CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COc1cccnc1[N+](=O)[O-]	ZINC000009635356	569554666	/nfs/dbraw/zinc/55/46/66/569554666.db2.gz	UUTZLWHPILSRKE-UHFFFAOYSA-N	0	0	436.446	2.256	50	5		IEBARN
COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1Cl	ZINC000009717132	569563245	/nfs/dbraw/zinc/56/32/45/569563245.db2.gz	XHWUTBHDQCOALL-UHFFFAOYSA-N	0	0	442.881	2.240	50	5		IEBARN
O=C(CCCOc1ccccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000024635029	122554359	/nfs/dbraw/zinc/55/43/59/122554359.db2.gz	OCULTKPVKRWYGC-UHFFFAOYSA-N	0	0	433.486	2.287	50	5		IEBARN
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])c1	ZINC000009377706	132314668	/nfs/dbraw/zinc/31/46/68/132314668.db2.gz	WVXDYQRJTBPEAY-UHFFFAOYSA-N	0	0	447.469	2.080	50	5		IEBARN
COc1cc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC	ZINC000009671863	132325077	/nfs/dbraw/zinc/32/50/77/132325077.db2.gz	JACCQCJUNWKMLD-UHFFFAOYSA-N	0	0	429.429	2.118	50	5		IEBARN
C[C@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCO2	ZINC000009727959	132327774	/nfs/dbraw/zinc/32/77/74/132327774.db2.gz	JXMPMTMOOBMVNL-ZDUSSCGKSA-N	0	0	443.412	2.344	50	5		IEBARN
COC(=O)c1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	ZINC000012521704	522091445	/nfs/dbraw/zinc/09/14/45/522091445.db2.gz	QKNYHZVPNYLRMB-UHFFFAOYSA-N	0	0	443.412	2.014	50	5		IEBARN
COC(=O)c1ccccc1-n1cc2c(c1-c1cccc([N+](=O)[O-])c1)c(=O)n(C)c(=O)n2C	ZINC000020443204	522255872	/nfs/dbraw/zinc/25/58/72/522255872.db2.gz	DJZBDLSAIUQXJL-UHFFFAOYSA-N	0	0	434.408	2.390	50	5		IEBARN
CNS(=O)(=O)c1cccc(C(=O)OCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1	ZINC000012720894	522302999	/nfs/dbraw/zinc/30/29/99/522302999.db2.gz	USHPTPMYSQPVJM-UHFFFAOYSA-N	0	0	446.384	2.470	50	5		IEBARN
CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000012633936	522517521	/nfs/dbraw/zinc/51/75/21/522517521.db2.gz	RFULICQRHGOECN-UHFFFAOYSA-N	0	0	445.907	2.467	50	5		IEBARN
CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(Sc2nnnn2C)c([N+](=O)[O-])c1	ZINC000032950674	523328451	/nfs/dbraw/zinc/32/84/51/523328451.db2.gz	BXYHKPSKRUJKBT-UHFFFAOYSA-N	0	0	442.457	2.085	50	5		IEBARN
COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCc3ccccc3[N+](=O)[O-])n2C)cc1	ZINC000018201377	523724137	/nfs/dbraw/zinc/72/41/37/523724137.db2.gz	ZKBRTMUTCXFVRT-INIZCTEOSA-N	0	0	443.485	2.488	50	5		IEBARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1	ZINC000253487971	523778295	/nfs/dbraw/zinc/77/82/95/523778295.db2.gz	UREIMRHCAAQQFO-WCIQWLHISA-N	0	0	446.419	2.200	50	5		IEBARN
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@H]12	ZINC000035870289	523915333	/nfs/dbraw/zinc/91/53/33/523915333.db2.gz	UXADFYHMZQJGLU-TZIWHRDSSA-N	0	0	428.464	2.364	50	5		IEBARN
CN1CCN(c2cc(N3CCN(C(=O)Cc4ccccc4)CC3)c([N+](=O)[O-])cc2F)CC1	ZINC000012416762	523924283	/nfs/dbraw/zinc/92/42/83/523924283.db2.gz	WVMYNVFPXBSIDF-UHFFFAOYSA-N	0	0	441.507	2.377	50	5		IEBARN
Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000012799896	524277665	/nfs/dbraw/zinc/27/76/65/524277665.db2.gz	XJFRLGVNLQFREZ-GOSISDBHSA-N	0	0	439.516	2.477	50	5		IEBARN
C[C@@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCO2	ZINC000009666450	525894432	/nfs/dbraw/zinc/89/44/32/525894432.db2.gz	JXMPMTMOOBMVNL-CYBMUJFWSA-N	0	0	443.412	2.344	50	5		IEBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1	ZINC000012534735	526083678	/nfs/dbraw/zinc/08/36/78/526083678.db2.gz	JTFOPHJREKIPJS-UHFFFAOYSA-N	0	0	448.501	2.242	50	5		IEBARN
O=C(CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)Nc1ccc(F)cc1	ZINC000020766429	526487798	/nfs/dbraw/zinc/48/77/98/526487798.db2.gz	DKYCXXRAEGYENR-UHFFFAOYSA-N	0	0	436.465	2.069	50	5		IEBARN
O=C(COc1ccccc1[N+](=O)[O-])OCCCOC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000012784752	526996306	/nfs/dbraw/zinc/99/63/06/526996306.db2.gz	QWAJHTFTHRFBNM-UHFFFAOYSA-N	0	0	434.357	2.437	50	5		IEBARN
O=C1COCC(=O)N1c1ccc(N2CCN(c3ccccc3Cl)CC2)c([N+](=O)[O-])c1	ZINC000020740678	527012153	/nfs/dbraw/zinc/01/21/53/527012153.db2.gz	IOKYXNSIDQGEMM-UHFFFAOYSA-N	0	0	430.848	2.465	50	5		IEBARN
O=C(Cn1cc(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)N1CCOCC1	ZINC000012225918	527370032	/nfs/dbraw/zinc/37/00/32/527370032.db2.gz	FVAXXNRTCIAFNB-UHFFFAOYSA-N	0	0	443.481	2.382	50	5		IEBARN
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc2c(c1)OCCO2	ZINC000016428084	527458183	/nfs/dbraw/zinc/45/81/83/527458183.db2.gz	OXYMBVRWHMTGEE-UHFFFAOYSA-N	0	0	428.470	2.203	50	5		IEBARN
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@]32c2cccnc2)C1=O	ZINC000009060916	536320886	/nfs/dbraw/zinc/32/08/86/536320886.db2.gz	SLBSSYXBDLGXSS-HSZRJFAPSA-N	0	0	449.467	2.469	50	5		IEBARN
COC(=O)c1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(C(=O)OC)c1	ZINC000013946355	536559700	/nfs/dbraw/zinc/55/97/00/536559700.db2.gz	ZGWQCCJXQZVJGE-UHFFFAOYSA-N	0	0	443.412	2.257	50	5		IEBARN
COCCn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c1nc1c(C)cccn1c2=O	ZINC000002202004	555757483	/nfs/dbraw/zinc/75/74/83/555757483.db2.gz	FKMUTUQRUSUKSF-UHFFFAOYSA-N	0	0	442.472	2.055	50	5		IEBARN
CCCCc1noc([C@@H](C)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n1	ZINC000032761057	556325592	/nfs/dbraw/zinc/32/55/92/556325592.db2.gz	NOFJRDLYPUWLRR-CYBMUJFWSA-N	0	0	440.478	2.481	50	5		IEBARN
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	ZINC000032818851	556393716	/nfs/dbraw/zinc/39/37/16/556393716.db2.gz	UPEYIKZVSPYZET-ZDUSSCGKSA-N	0	0	449.460	2.346	50	5		IEBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Cl	ZINC000014357354	556414131	/nfs/dbraw/zinc/41/41/31/556414131.db2.gz	QVDSVZRPDJHEEP-UHFFFAOYSA-N	0	0	439.877	2.483	50	5		IEBARN
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C	ZINC000032845686	556429376	/nfs/dbraw/zinc/42/93/76/556429376.db2.gz	SWRDQKRPWNMNPC-UHFFFAOYSA-N	0	0	434.518	2.419	50	5		IEBARN
Cc1cc(C2=CCN(C(=O)CCn3c4ccccc4c(=O)[nH]c3=O)CC2)cc([N+](=O)[O-])c1N	ZINC000072297954	556522966	/nfs/dbraw/zinc/52/29/66/556522966.db2.gz	LXOZTZUBVMGOQR-UHFFFAOYSA-N	0	0	449.467	2.195	50	5		IEBARN
O=C(CNc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	ZINC000011116626	556686064	/nfs/dbraw/zinc/68/60/64/556686064.db2.gz	GOWVAEAAHZKALR-UHFFFAOYSA-N	0	0	444.513	2.029	50	5		IEBARN
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1	ZINC000024209812	556692507	/nfs/dbraw/zinc/69/25/07/556692507.db2.gz	UTRKBUHMHKRINS-UHFFFAOYSA-N	0	0	429.429	2.361	50	5		IEBARN
O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1ccc(C(=O)N2CCCC2)cc1	ZINC000024224843	556694595	/nfs/dbraw/zinc/69/45/95/556694595.db2.gz	MSOOHUQUOJECNC-UHFFFAOYSA-N	0	0	425.397	2.482	50	5		IEBARN
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N[C@H]1CCCC[C@@H]1O	ZINC000013575016	556698269	/nfs/dbraw/zinc/69/82/69/556698269.db2.gz	BYTZXBUMAKHHJI-OALUTQOASA-N	0	0	433.486	2.210	50	5		IEBARN
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Cl)cc1	ZINC000013856677	556745810	/nfs/dbraw/zinc/74/58/10/556745810.db2.gz	XGDPMVLGIWFSLU-CQSZACIVSA-N	0	0	445.815	2.168	50	5		IEBARN
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2c3ccccc3C=CN12	ZINC000247306433	556792294	/nfs/dbraw/zinc/79/22/94/556792294.db2.gz	GUDLRFKUINIPKG-TVFCKZIOSA-N	0	0	438.827	2.485	50	5		IEBARN
Cn1cnnc1Sc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1[N+](=O)[O-]	ZINC000003486676	556816793	/nfs/dbraw/zinc/81/67/93/556816793.db2.gz	ZPUZQZRYRYLUDZ-UHFFFAOYSA-N	0	0	433.471	2.409	50	5		IEBARN
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2C)N2CCOCC2)cc1	ZINC000023107032	557001710	/nfs/dbraw/zinc/00/17/10/557001710.db2.gz	KDALKDHXDTVNBF-HXUWFJFHSA-N	0	0	426.473	2.340	50	5		IEBARN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C	ZINC000023148886	557027687	/nfs/dbraw/zinc/02/76/87/557027687.db2.gz	NMMIQYGNKUKTDE-ZDUSSCGKSA-N	0	0	446.485	2.288	50	5		IEBARN
O=C(Nc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1)[C@H]1CCCO1	ZINC000048237833	557047988	/nfs/dbraw/zinc/04/79/88/557047988.db2.gz	UZUBHKMORFROHC-GOSISDBHSA-N	0	0	440.460	2.461	50	5		IEBARN
CC(C)[C@H]1NC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1=O	ZINC000049574837	557113865	/nfs/dbraw/zinc/11/38/65/557113865.db2.gz	KPNLBRYEZDRYFC-OAHLLOKOSA-N	0	0	429.399	2.270	50	5		IEBARN
Cc1c(C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)cccc1[N+](=O)[O-]	ZINC000011398243	557139993	/nfs/dbraw/zinc/13/99/93/557139993.db2.gz	BFFWIAWMMUHDKA-INIZCTEOSA-N	0	0	438.502	2.408	50	5		IEBARN
Cc1csc2nc(COC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc(=O)n12	ZINC000024755249	557162982	/nfs/dbraw/zinc/16/29/82/557162982.db2.gz	PJBKRVILDLDZFK-UHFFFAOYSA-N	0	0	430.442	2.166	50	5		IEBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1	ZINC000024866241	557171707	/nfs/dbraw/zinc/17/17/07/557171707.db2.gz	RFNDJHUYMIDGQE-UHFFFAOYSA-N	0	0	427.486	2.287	50	5		IEBARN
COCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCc2ccccc2)c1=N	ZINC000100861826	557193043	/nfs/dbraw/zinc/19/30/43/557193043.db2.gz	ISUYRFJHOXSBSN-UHFFFAOYSA-N	0	0	431.496	2.056	50	5		IEBARN
CC(=O)OCCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c1nc1ccccn1c2=O	ZINC000100894032	557198971	/nfs/dbraw/zinc/19/89/71/557198971.db2.gz	CKSBFDMWGHXUSW-UHFFFAOYSA-N	0	0	445.479	2.012	50	5		IEBARN
Cc1cccn2c1nc1c(cc(C(=O)NC[C@@H]3CCCO3)c(=N)n1Cc1ccccc1)c2=O	ZINC000100929663	557202349	/nfs/dbraw/zinc/20/23/49/557202349.db2.gz	JHYILZRFRZCPNN-SFHVURJKSA-N	0	0	443.507	2.394	50	5		IEBARN
C[C@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2	ZINC000024929108	557241925	/nfs/dbraw/zinc/24/19/25/557241925.db2.gz	ZYZVNOQZFIFAIT-ZDUSSCGKSA-N	0	0	433.486	2.377	50	5		IEBARN
COCCCn1c(=N)c(C(=O)NCc2ccc(F)cc2)cc2c1nc1ccccn1c2=O	ZINC000101158490	557257183	/nfs/dbraw/zinc/25/71/83/557257183.db2.gz	JUJPJIIUPVNLSK-UHFFFAOYSA-N	0	0	435.459	2.234	50	5		IEBARN
COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccc(C)cc2)c1=N	ZINC000100631386	557266980	/nfs/dbraw/zinc/26/69/80/557266980.db2.gz	UZJBSYMIXSSVDR-UHFFFAOYSA-N	0	0	431.496	2.252	50	5		IEBARN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cc(OC)c([N+](=O)[O-])cc4C)C(=O)[C@H]23)cc1OC	ZINC000101296339	557270490	/nfs/dbraw/zinc/27/04/90/557270490.db2.gz	OOPNJPKKKFYSNW-MJGOQNOKSA-N	0	0	441.396	2.222	50	5		IEBARN
COCCn1c(=N)c(C(=O)NCc2ccc(C)cc2)cc2c1nc1c(C)cccn1c2=O	ZINC000100869842	557277657	/nfs/dbraw/zinc/27/76/57/557277657.db2.gz	SRDLPOFZVJLVDW-UHFFFAOYSA-N	0	0	431.496	2.322	50	5		IEBARN
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1	ZINC000000831304	557278121	/nfs/dbraw/zinc/27/81/21/557278121.db2.gz	SMLFIGCFFGPMEB-GTVARFKMSA-N	0	0	435.461	2.316	50	5		IEBARN
CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC2CC2)nn1C	ZINC000102034328	557312147	/nfs/dbraw/zinc/31/21/47/557312147.db2.gz	RSVAIKXQJOWWLA-LLVKDONJSA-N	0	0	437.478	2.090	50	5		IEBARN
C[C@@H](OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC000014254807	557329425	/nfs/dbraw/zinc/32/94/25/557329425.db2.gz	WPYRTTJJYBLSBZ-OCCSQVGLSA-N	0	0	426.491	2.083	50	5		IEBARN
O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1NCCCc1ccccc1	ZINC000023409166	557352884	/nfs/dbraw/zinc/35/28/84/557352884.db2.gz	JASAVOZJWBBAHJ-UHFFFAOYSA-N	0	0	448.545	2.250	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Cc2ccc(F)cc2)n1N	ZINC000023883390	557376754	/nfs/dbraw/zinc/37/67/54/557376754.db2.gz	JINYGQDGUXLKMI-UHFFFAOYSA-N	0	0	432.437	2.369	50	5		IEBARN
C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1C	ZINC000103491850	557437893	/nfs/dbraw/zinc/43/78/93/557437893.db2.gz	NFYMSMHEPRLKFT-VNHYZAJKSA-N	0	0	431.445	2.065	50	5		IEBARN
COc1cc(N2C(=O)[C@@H]3ON=C(c4cccc(OC)c4OC)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000103529735	557438799	/nfs/dbraw/zinc/43/87/99/557438799.db2.gz	QLADUVILBXBRHG-QFBILLFUSA-N	0	0	441.396	2.222	50	5		IEBARN
Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c([N+](=O)[O-])n1	ZINC000008687788	562963088	/nfs/dbraw/zinc/96/30/88/562963088.db2.gz	IWUICBVLWOBZOY-UHFFFAOYSA-N	0	0	434.474	2.490	50	5		IEBARN
CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1	ZINC000009713874	562975804	/nfs/dbraw/zinc/97/58/04/562975804.db2.gz	BCGJYGYTPDSKGB-DHZHZOJOSA-N	0	0	433.442	2.040	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000013005598	562983938	/nfs/dbraw/zinc/98/39/38/562983938.db2.gz	GDQHJSNLHJGZKO-QWHCGFSZSA-N	0	0	431.401	2.115	50	5		IEBARN
NC(=O)c1ccsc1NC(=O)COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000025135241	568638347	/nfs/dbraw/zinc/63/83/47/568638347.db2.gz	HGRVTGNTJNLERW-UHFFFAOYSA-N	0	0	432.458	2.154	50	5		IEBARN
COC(=O)c1ccc(C)c(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000001132084	568661460	/nfs/dbraw/zinc/66/14/60/568661460.db2.gz	ZVNNOGAXRLBXPZ-UHFFFAOYSA-N	0	0	435.458	2.403	50	5		IEBARN
COc1ccc([C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N2CCOCC2)cc1	ZINC000015170685	568731821	/nfs/dbraw/zinc/73/18/21/568731821.db2.gz	OAEFVAFNMSDUSP-FQEVSTJZSA-N	0	0	435.502	2.492	50	5		IEBARN
Cc1c(Cl)cccc1NC(=O)CNC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO	ZINC000015322755	568755339	/nfs/dbraw/zinc/75/53/39/568755339.db2.gz	QISFDKKSJZDZFI-UHFFFAOYSA-N	0	0	435.868	2.128	50	5		IEBARN
O=C(c1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1	ZINC000015882632	568857039	/nfs/dbraw/zinc/85/70/39/568857039.db2.gz	JFYSPYWYPQWDAR-UHFFFAOYSA-N	0	0	431.470	2.248	50	5		IEBARN
CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])ccc2Cl)CC1	ZINC000016213068	568873201	/nfs/dbraw/zinc/87/32/01/568873201.db2.gz	NEMDCUQGZHELKJ-UHFFFAOYSA-N	0	0	438.893	2.437	50	5		IEBARN
Cc1cccc(-c2c3c(cn2NC(=O)c2cccc([N+](=O)[O-])c2)n(C)c(=O)n(C)c3=O)c1	ZINC000016426110	568896692	/nfs/dbraw/zinc/89/66/92/568896692.db2.gz	TZCXVYKHECLBKK-UHFFFAOYSA-N	0	0	433.424	2.306	50	5		IEBARN
COc1cc(-c2nc3s/c(=C\c4ccccc4[N+](=O)[O-])c(=O)n3n2)cc(OC)c1OC	ZINC000001900411	568918177	/nfs/dbraw/zinc/91/81/77/568918177.db2.gz	YFNWKADXYXAXKY-YBEGLDIGSA-N	0	0	440.437	2.300	50	5		IEBARN
COCCN1CC(=O)N2[C@H](c3ccc([N+](=O)[O-])cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O	ZINC000001901058	568918372	/nfs/dbraw/zinc/91/83/72/568918372.db2.gz	UFVWGTSFJGDRKY-SIKLNZKXSA-N	0	0	434.452	2.407	50	5	biogenic	IEBARN
O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000138080933	568929651	/nfs/dbraw/zinc/92/96/51/568929651.db2.gz	BCCDAKKSTLWCDS-KCXPTXFHSA-N	0	0	436.399	2.165	50	5		IEBARN
C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000089552918	568937295	/nfs/dbraw/zinc/93/72/95/568937295.db2.gz	VEIKREXHWZRHKK-AWEZNQCLSA-N	0	0	436.465	2.067	50	5		IEBARN
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1	ZINC000170601953	569143144	/nfs/dbraw/zinc/14/31/44/569143144.db2.gz	AQYZPKFZKWKGPX-UHFFFAOYSA-N	0	0	426.351	2.475	50	5		IEBARN
Cc1cc(=O)c(C(=O)N(Cc2cn[nH]n2)Cc2ccccc2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000170614500	569146412	/nfs/dbraw/zinc/14/64/12/569146412.db2.gz	ZFJTUTNABSLZAS-UHFFFAOYSA-N	0	0	445.439	2.410	50	5		IEBARN
COc1cc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])cc1OC	ZINC000009883270	569149974	/nfs/dbraw/zinc/14/99/74/569149974.db2.gz	PHTQAWRDLWXREI-UHFFFAOYSA-N	0	0	449.391	2.005	50	5		IEBARN
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009955201	569151168	/nfs/dbraw/zinc/15/11/68/569151168.db2.gz	BIWXZSGJWGWGLG-ZDUSSCGKSA-N	0	0	435.458	2.338	50	5		IEBARN
COc1ccc(CCNC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1OC	ZINC000010220820	569153022	/nfs/dbraw/zinc/15/30/22/569153022.db2.gz	HEFNAFCPFBMQCH-UHFFFAOYSA-N	0	0	438.440	2.195	50	5		IEBARN
COCCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000037524496	569198507	/nfs/dbraw/zinc/19/85/07/569198507.db2.gz	PYOJYLCJZKJWGS-UHFFFAOYSA-N	0	0	426.473	2.370	50	5		IEBARN
COC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1	ZINC000252672331	569210033	/nfs/dbraw/zinc/21/00/33/569210033.db2.gz	PXWRDNPUUVLOCF-KRWDZBQOSA-N	0	0	441.490	2.378	50	5		IEBARN
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccn3)C[C@H]12)N1CCSCC1	ZINC000225093641	569215897	/nfs/dbraw/zinc/21/58/97/569215897.db2.gz	SQLKJZYESRBZJX-AZUAARDMSA-N	0	0	439.541	2.433	50	5		IEBARN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3C=CC=NN3[C@H](C(=O)Nc3ccccc3)[C@H]2C1=O	ZINC000253486904	569283021	/nfs/dbraw/zinc/28/30/21/569283021.db2.gz	AWYOOIYUHHQJBN-FYQPLNBISA-N	0	0	445.435	2.256	50	5		IEBARN
CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1	ZINC000008826338	569290934	/nfs/dbraw/zinc/29/09/34/569290934.db2.gz	FFMVMXSMBDAXTC-UHFFFAOYSA-N	0	0	433.461	2.154	50	5		IEBARN
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000008927508	569292442	/nfs/dbraw/zinc/29/24/42/569292442.db2.gz	WETHEMQCCBYNKC-CQSZACIVSA-N	0	0	445.815	2.168	50	5		IEBARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccco1	ZINC000009030356	569293010	/nfs/dbraw/zinc/29/30/10/569293010.db2.gz	QZWGQHCPFMVGEQ-QIPHDZALSA-N	0	0	439.449	2.300	50	5		IEBARN
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)c1cccc([N+](=O)[O-])c1	ZINC000009591316	569297293	/nfs/dbraw/zinc/29/72/93/569297293.db2.gz	HVAYCYQNNZPGAD-CYBMUJFWSA-N	0	0	445.815	2.168	50	5		IEBARN
CSc1nc2nc(C)c(CCC(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)c(C)n2n1	ZINC000012973492	569305400	/nfs/dbraw/zinc/30/54/00/569305400.db2.gz	BCWRMRPPDXQCFM-MRXNPFEDSA-N	0	0	430.490	2.154	50	5		IEBARN
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N[C@H]1CCCC[C@@H]1O	ZINC000013389045	569315298	/nfs/dbraw/zinc/31/52/98/569315298.db2.gz	WMPNPDAPYZRGSP-OALUTQOASA-N	0	0	433.486	2.210	50	5		IEBARN
CCn1c(CCn2cc([N+](=O)[O-])cn2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000019644443	569325038	/nfs/dbraw/zinc/32/50/38/569325038.db2.gz	KOPWYPNMBADGKE-UHFFFAOYSA-N	0	0	446.449	2.284	50	5		IEBARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000019800058	569329775	/nfs/dbraw/zinc/32/97/75/569329775.db2.gz	ZSEARIISKXNDIG-FYXHJSOBSA-N	0	0	439.449	2.300	50	5		IEBARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000019800057	569329811	/nfs/dbraw/zinc/32/98/11/569329811.db2.gz	ZSEARIISKXNDIG-QIPHDZALSA-N	0	0	439.449	2.300	50	5		IEBARN
O=C(Cn1c(=O)n(-c2cccc([N+](=O)[O-])c2)c(=O)c2ccc(Cl)cc21)N1CCCC1	ZINC000096317833	569392329	/nfs/dbraw/zinc/39/23/29/569392329.db2.gz	NRGCLPQHCXUBAE-UHFFFAOYSA-N	0	0	428.832	2.336	50	5		IEBARN
Cn1cc(/C=C2/N=C(SCC(=O)Nc3cccc([N+](=O)[O-])c3)N(C3CC3)C2=O)cn1	ZINC000002792548	569421943	/nfs/dbraw/zinc/42/19/43/569421943.db2.gz	XLNLGYZFHAYSMI-FRKPEAEDSA-N	0	0	426.458	2.402	50	5		IEBARN
CCOC(=O)c1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000002844500	569423243	/nfs/dbraw/zinc/42/32/43/569423243.db2.gz	FAFARPNQPPLFIU-UHFFFAOYSA-N	0	0	435.458	2.485	50	5		IEBARN
COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2[N+](=O)[O-])CS(=O)(=O)C3)cc1	ZINC000003009395	569435114	/nfs/dbraw/zinc/43/51/14/569435114.db2.gz	VHHARUOMHVBVCD-UHFFFAOYSA-N	0	0	428.426	2.470	50	5		IEBARN
COC(=O)c1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc([N+](=O)[O-])c1	ZINC000003350634	569447389	/nfs/dbraw/zinc/44/73/89/569447389.db2.gz	HQXKNDWXOVMAFX-UHFFFAOYSA-N	0	0	438.295	2.498	50	5		IEBARN
C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2C1	ZINC000003355805	569447646	/nfs/dbraw/zinc/44/76/46/569447646.db2.gz	SQCWWWMQLCLTLO-CYBMUJFWSA-N	0	0	432.454	2.129	50	5		IEBARN
COc1cc(N2C[C@H](C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2=O)cc(OC)c1OC	ZINC000058157706	569449046	/nfs/dbraw/zinc/44/90/46/569449046.db2.gz	KKABWTFIHSIRIE-CQSZACIVSA-N	0	0	429.429	2.290	50	5		IEBARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2cnc(C(=O)OC)n2)c([N+](=O)[O-])c1	ZINC000058161599	569449145	/nfs/dbraw/zinc/44/91/45/569449145.db2.gz	VOEZEMSESMPOOD-UHFFFAOYSA-N	0	0	431.430	2.177	50	5		IEBARN
O=c1c2c(nc(-c3cccnc3)n1CN1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CCC2	ZINC000058341278	569453353	/nfs/dbraw/zinc/45/33/53/569453353.db2.gz	ZCLRBPPHRZTHRK-UHFFFAOYSA-N	0	0	432.484	2.482	50	5		IEBARN
CC(C)[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O	ZINC000004008908	569457990	/nfs/dbraw/zinc/45/79/90/569457990.db2.gz	IPJWKCLBWAIBPY-AQQQZIQISA-N	0	0	428.441	2.376	50	5		IEBARN
Cc1nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1S(=O)(=O)N1CCC[C@@H](C)C1	ZINC000008755345	569473937	/nfs/dbraw/zinc/47/39/37/569473937.db2.gz	LJFJXOBANBWHJD-GFCCVEGCSA-N	0	0	442.519	2.066	50	5		IEBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)OCC(=O)C(C)(C)C)CC1	ZINC000008775034	569475334	/nfs/dbraw/zinc/47/53/34/569475334.db2.gz	BZWPIISADODZEO-UHFFFAOYSA-N	0	0	426.491	2.462	50	5		IEBARN
CCOC(=O)C1=C(N)Oc2n[nH]c(-c3cccc([N+](=O)[O-])c3)c2[C@@]12c1ccccc1NC2=O	ZINC000008857028	569479891	/nfs/dbraw/zinc/47/98/91/569479891.db2.gz	MURHIBOGRAVOTL-QFIPXVFZSA-N	0	0	447.407	2.349	50	5		IEBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCCOc1ccc(F)cc1	ZINC000008862468	569480230	/nfs/dbraw/zinc/48/02/30/569480230.db2.gz	YXBFIRPJEGULQV-UHFFFAOYSA-N	0	0	426.422	2.213	50	5		IEBARN
CCCN(C[C@@H]1COc2ccccc2O1)C(=O)COC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000039983555	569482244	/nfs/dbraw/zinc/48/22/44/569482244.db2.gz	SSGSSRHFKCZPBU-MRXNPFEDSA-N	0	0	446.460	2.030	50	5		IEBARN
COCCn1cc2c(c1-c1cc([N+](=O)[O-])ccc1Br)c(=O)n(C)c(=O)n2C	ZINC000008914399	569485452	/nfs/dbraw/zinc/48/54/52/569485452.db2.gz	PIZIWOZAWBQMKS-UHFFFAOYSA-N	0	0	437.250	2.023	50	5		IEBARN
C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CC2)C1	ZINC000040153051	569493581	/nfs/dbraw/zinc/49/35/81/569493581.db2.gz	BSXWCVYRGMLYAO-IYBDPMFKSA-N	0	0	427.505	2.338	50	5		IEBARN
O=[N+]([O-])c1ccc(NCCN2CCCc3ccccc32)c(S(=O)(=O)N2CCOCC2)c1	ZINC000040155540	569493951	/nfs/dbraw/zinc/49/39/51/569493951.db2.gz	UKNMSXWKWLEHCJ-UHFFFAOYSA-N	0	0	446.529	2.480	50	5		IEBARN
Cc1cccc(C(=O)OCC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)c1[N+](=O)[O-]	ZINC000009022479	569497002	/nfs/dbraw/zinc/49/70/02/569497002.db2.gz	RWCCZMSMDUHASH-MRXNPFEDSA-N	0	0	438.502	2.408	50	5		IEBARN
CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12	ZINC000009042605	569497744	/nfs/dbraw/zinc/49/77/44/569497744.db2.gz	MPUOWZKNKMABMX-NMLBUPMWSA-N	0	0	448.435	2.345	50	5		IEBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCc1ccc2c(c1)OCCO2	ZINC000009127401	569505135	/nfs/dbraw/zinc/50/51/35/569505135.db2.gz	JOTLGOUVZMIABW-UHFFFAOYSA-N	0	0	449.485	2.042	50	5		IEBARN
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)C3CCCC3)CC2)c([N+](=O)[O-])c1	ZINC000009322440	569522656	/nfs/dbraw/zinc/52/26/56/569522656.db2.gz	DIODSYDOBKLAPD-UHFFFAOYSA-N	0	0	438.550	2.464	50	5		IEBARN
C[C@@H]1CCC[C@H](NC(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1C	ZINC000009440891	569535338	/nfs/dbraw/zinc/53/53/38/569535338.db2.gz	NFYMSMHEPRLKFT-NFAWXSAZSA-N	0	0	431.445	2.065	50	5		IEBARN
CCOC(=O)C1=C(Cn2nc(C)c([N+](=O)[O-])c2C)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000009442016	569535418	/nfs/dbraw/zinc/53/54/18/569535418.db2.gz	KFKVQAIGCHCRRP-QGZVFWFLSA-N	0	0	429.433	2.288	50	5		IEBARN
CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1	ZINC000009506793	569541859	/nfs/dbraw/zinc/54/18/59/569541859.db2.gz	BZGRESMRIZMYKC-UHFFFAOYSA-N	0	0	444.473	2.458	50	5		IEBARN
C[C@H](OC(=O)CNC(=O)c1ccc(Br)o1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000009509959	569542705	/nfs/dbraw/zinc/54/27/05/569542705.db2.gz	KXXANYLUKQIJLB-VIFPVBQESA-N	0	0	440.206	2.251	50	5		IEBARN
O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCC(=O)c1ccc2c(c1)OCCO2	ZINC000009593979	569550515	/nfs/dbraw/zinc/55/05/15/569550515.db2.gz	XJKJAYOILQCERB-UHFFFAOYSA-N	0	0	434.788	2.175	50	5		IEBARN
CS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cc1	ZINC000009707677	569561591	/nfs/dbraw/zinc/56/15/91/569561591.db2.gz	HNCCSJMTUKQJQI-UHFFFAOYSA-N	0	0	433.358	2.209	50	5		IEBARN
COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)n2N)cc1	ZINC000009715899	569563152	/nfs/dbraw/zinc/56/31/52/569563152.db2.gz	ZWWNDHDOPHFIQH-UHFFFAOYSA-N	0	0	430.446	2.315	50	5		IEBARN
C[C@@H](C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)N1C(=O)c2ccccc2S1(=O)=O	ZINC000010188072	569578822	/nfs/dbraw/zinc/57/88/22/569578822.db2.gz	GWRMLBKCTMWQII-VIFPVBQESA-N	0	0	432.439	2.376	50	5		IEBARN
COc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccccc2[N+](=O)[O-])n2nnnc2N3)cc1OC	ZINC000010297157	569580589	/nfs/dbraw/zinc/58/05/89/569580589.db2.gz	VZFBGNBEXXKIEV-GOSISDBHSA-N	0	0	448.399	2.456	50	5		IEBARN
COc1ccc(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-]	ZINC000003284837	132263091	/nfs/dbraw/zinc/26/30/91/132263091.db2.gz	WBRILPNWFLJIGN-UHFFFAOYSA-N	0	0	432.864	2.335	50	5		IEBARN
O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCc2ccccc2C1	ZINC000008685387	132290204	/nfs/dbraw/zinc/29/02/04/132290204.db2.gz	LJBDYHJQDBRLNX-UHFFFAOYSA-N	0	0	425.441	2.173	50	5		IEBARN
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000015935162	521384019	/nfs/dbraw/zinc/38/40/19/521384019.db2.gz	JTIINAOUPTYILR-UHFFFAOYSA-N	0	0	436.490	2.227	50	5		IEBARN
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(NS(=O)(=O)c2cccs2)CC1	ZINC000012523254	521914779	/nfs/dbraw/zinc/91/47/79/521914779.db2.gz	PCBISQAMEURUKK-UHFFFAOYSA-N	0	0	425.488	2.390	50	5		IEBARN
CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000012635423	522642019	/nfs/dbraw/zinc/64/20/19/522642019.db2.gz	KXFDSHPQHMSSNM-UHFFFAOYSA-N	0	0	436.465	2.312	50	5		IEBARN
COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1OC	ZINC000012348817	523259555	/nfs/dbraw/zinc/25/95/55/523259555.db2.gz	RUAWUQLHEGZGTN-UHFFFAOYSA-N	0	0	430.446	2.315	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	ZINC000012371140	525466486	/nfs/dbraw/zinc/46/64/86/525466486.db2.gz	URYQVFSNDYZZKY-UHFFFAOYSA-N	0	0	439.446	2.025	50	5		IEBARN
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000021956218	525494039	/nfs/dbraw/zinc/49/40/39/525494039.db2.gz	DFZAUYMCFBPEPJ-CQSZACIVSA-N	0	0	449.485	2.266	50	5		IEBARN
C[C@H](OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(F)c1F	ZINC000021614716	525883537	/nfs/dbraw/zinc/88/35/37/525883537.db2.gz	JZKSOFNCSKJNDF-VIFPVBQESA-N	0	0	425.319	2.312	50	5		IEBARN
Cc1ccc(C(=O)NCC(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)cc1[N+](=O)[O-]	ZINC000022304565	526155105	/nfs/dbraw/zinc/15/51/05/526155105.db2.gz	ABLHVGIZOMRTKS-OKILXGFUSA-N	0	0	447.517	2.337	50	5		IEBARN
O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCCNc1ccc([N+](=O)[O-])cc1	ZINC000009890868	526512899	/nfs/dbraw/zinc/51/28/99/526512899.db2.gz	BZJRGKJVVFQSQU-UHFFFAOYSA-N	0	0	426.882	2.145	50	5		IEBARN
Cn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000012428069	527056144	/nfs/dbraw/zinc/05/61/44/527056144.db2.gz	RSJRRCQLIAJGAT-UHFFFAOYSA-N	0	0	425.445	2.331	50	5		IEBARN
Cc1nn(CC(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1[N+](=O)[O-]	ZINC000012788038	527700950	/nfs/dbraw/zinc/70/09/50/527700950.db2.gz	VISDWXHSBVHMHQ-UHFFFAOYSA-N	0	0	429.355	2.404	50	5		IEBARN
COc1ccccc1N1CCN(c2cc(NCCCO)c([N+](=O)[O-])c3nonc32)CC1	ZINC000008662491	537071343	/nfs/dbraw/zinc/07/13/43/537071343.db2.gz	UWSQCUDXUIOGPO-UHFFFAOYSA-N	0	0	428.449	2.261	50	5		IEBARN
CN1CCN(S(=O)(=O)c2ccc(N[C@H]3CCc4c3cccc4O)c([N+](=O)[O-])c2)CC1	ZINC000072307624	556560264	/nfs/dbraw/zinc/56/02/64/556560264.db2.gz	VNDRFQMCRNHYIM-KRWDZBQOSA-N	0	0	432.502	2.336	50	5		IEBARN
CN1CCN(S(=O)(=O)c2ccc(N[C@@H]3CCc4c3cccc4O)c([N+](=O)[O-])c2)CC1	ZINC000072307623	556560328	/nfs/dbraw/zinc/56/03/28/556560328.db2.gz	VNDRFQMCRNHYIM-QGZVFWFLSA-N	0	0	432.502	2.336	50	5		IEBARN
COc1ccc(CCn2ccc3nc4ccn(-c5nc[nH]n5)c(=O)c4cc3c2=O)cc1OC	ZINC000036358177	556597338	/nfs/dbraw/zinc/59/73/38/556597338.db2.gz	CSBTXRYRKAWAAQ-UHFFFAOYSA-N	0	0	444.451	2.079	50	5		IEBARN
CC(C)[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O	ZINC000013496604	556612639	/nfs/dbraw/zinc/61/26/39/556612639.db2.gz	MUYAOMABERELRC-MCRSOVSTSA-N	0	0	428.441	2.376	50	5	aggregator	IEBARN
Cc1ccc2nc3c(cc(C(=O)NC[C@H]4CCCO4)c(=N)n3Cc3ccccc3)c(=O)n2c1	ZINC000100627173	556634905	/nfs/dbraw/zinc/63/49/05/556634905.db2.gz	SFZKOAVETVXUBY-GOSISDBHSA-N	0	0	443.507	2.394	50	5		IEBARN
N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1	ZINC000100812909	556676518	/nfs/dbraw/zinc/67/65/18/556676518.db2.gz	HJNUWDXLAIFPTR-QGZVFWFLSA-N	0	0	429.480	2.086	50	5		IEBARN
Nc1ncc(Br)nc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000072312504	556687415	/nfs/dbraw/zinc/68/74/15/556687415.db2.gz	KCMVLFSHSQZOFE-UHFFFAOYSA-N	0	0	430.602	2.178	50	5		IEBARN
CC(C)[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O	ZINC000013785028	556731460	/nfs/dbraw/zinc/73/14/60/556731460.db2.gz	MUYAOMABERELRC-AUKGUFSJSA-N	0	0	428.441	2.376	50	5	aggregator	IEBARN
Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@H](C(CO)CO)C3)c([N+](=O)[O-])c2)c(C)c1	ZINC000078990292	556736641	/nfs/dbraw/zinc/73/66/41/556736641.db2.gz	CFVBPNQWWZWTQF-INIZCTEOSA-N	0	0	449.529	2.440	50	5		IEBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1	ZINC000013838720	556745081	/nfs/dbraw/zinc/74/50/81/556745081.db2.gz	WTJKRDMAPMKTPY-INIZCTEOSA-N	0	0	433.442	2.230	50	5		IEBARN
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Cl)cc1	ZINC000013856676	556745879	/nfs/dbraw/zinc/74/58/79/556745879.db2.gz	XGDPMVLGIWFSLU-AWEZNQCLSA-N	0	0	445.815	2.168	50	5		IEBARN
O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)C1=COCCO1	ZINC000096600727	556837544	/nfs/dbraw/zinc/83/75/44/556837544.db2.gz	QHVCJEZKAJKMDD-RIYZIHGNSA-N	0	0	439.833	2.289	50	5		IEBARN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C	ZINC000023148884	557027651	/nfs/dbraw/zinc/02/76/51/557027651.db2.gz	NMMIQYGNKUKTDE-CYBMUJFWSA-N	0	0	446.485	2.288	50	5		IEBARN
O=C(c1ccccc1)c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c([N+](=O)[O-])c1	ZINC000017283002	557044997	/nfs/dbraw/zinc/04/49/97/557044997.db2.gz	MELXHFSJYBDVMN-GOSISDBHSA-N	0	0	429.498	2.135	50	5		IEBARN
Cc1cc(C(=O)N2CCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])CC2)on1	ZINC000048333196	557068087	/nfs/dbraw/zinc/06/80/87/557068087.db2.gz	ZASMOKPPQAWMIW-UHFFFAOYSA-N	0	0	448.379	2.147	50	5		IEBARN
CNS(=O)(=O)c1ccc(N[C@H](c2nccn2C)c2ccccc2OC)c([N+](=O)[O-])c1	ZINC000017591292	557102249	/nfs/dbraw/zinc/10/22/49/557102249.db2.gz	YLOYINJPALIHSF-SFHVURJKSA-N	0	0	431.474	2.447	50	5		IEBARN
NS(=O)(=O)c1ccc(N2CCC(C(=O)OCCOc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000024656789	557121381	/nfs/dbraw/zinc/12/13/81/557121381.db2.gz	VKYFWMBMQJDPPU-UHFFFAOYSA-N	0	0	449.485	2.081	50	5		IEBARN
O=C(NN1C(=O)[C@H]2[C@@H](C1=O)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21)c1ccncc1	ZINC000000658058	557125872	/nfs/dbraw/zinc/12/58/72/557125872.db2.gz	MAQLDDBJABVCRE-ZUKXXSLGSA-N	0	0	440.415	2.007	50	5		IEBARN
COC[C@@H](C)NS(=O)(=O)c1ccc(NCC[C@@H]2C(=O)Nc3ccccc32)c([N+](=O)[O-])c1	ZINC000023258332	557141622	/nfs/dbraw/zinc/14/16/22/557141622.db2.gz	GUSJOSHTRREEDO-CJNGLKHVSA-N	0	0	448.501	2.446	50	5		IEBARN
C[C@H](C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000024829084	557165487	/nfs/dbraw/zinc/16/54/87/557165487.db2.gz	XGIBTMSAJAHGRF-XIKOKIGWSA-N	0	0	437.408	2.142	50	5		IEBARN
COC(=O)Cn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)[C@H]1COc2ccccc2O1	ZINC000100876530	557195150	/nfs/dbraw/zinc/19/51/50/557195150.db2.gz	PYMCUORSQFGGBL-MVZUJROASA-N	0	0	429.410	2.051	50	5		IEBARN
CCOC(=O)Cn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)[C@H]1COc2ccccc2O1	ZINC000100877345	557195626	/nfs/dbraw/zinc/19/56/26/557195626.db2.gz	GZOQETDYNFGXCF-MODMUFLJSA-N	0	0	443.437	2.441	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000011001897	557237081	/nfs/dbraw/zinc/23/70/81/557237081.db2.gz	DVHFDFYTAUGYPN-UHFFFAOYSA-N	0	0	433.486	2.449	50	5		IEBARN
C[C@@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2	ZINC000024929104	557241869	/nfs/dbraw/zinc/24/18/69/557241869.db2.gz	ZYZVNOQZFIFAIT-CYBMUJFWSA-N	0	0	433.486	2.377	50	5		IEBARN
CCn1c(=N)c(C(=O)NCCc2ccc(OC)cc2)cc2c1nc1c(C)cccn1c2=O	ZINC000101119973	557256789	/nfs/dbraw/zinc/25/67/89/557256789.db2.gz	IOUGFBOAKBWNTF-UHFFFAOYSA-N	0	0	431.496	2.438	50	5		IEBARN
COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCc2ccccc2)c1=N	ZINC000100627198	557266423	/nfs/dbraw/zinc/26/64/23/557266423.db2.gz	JDTIUNBXRDWMNE-UHFFFAOYSA-N	0	0	431.496	2.138	50	5		IEBARN
COCCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c1nc1ccccn1c2=O	ZINC000100826634	557276939	/nfs/dbraw/zinc/27/69/39/557276939.db2.gz	VUMGEDKDQCKRGB-UHFFFAOYSA-N	0	0	444.900	2.261	50	5		IEBARN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cc(OC)c([N+](=O)[O-])cc4C)C(=O)[C@@H]23)cc1OC	ZINC000102561708	557354455	/nfs/dbraw/zinc/35/44/55/557354455.db2.gz	OOPNJPKKKFYSNW-HKUYNNGSSA-N	0	0	441.396	2.222	50	5		IEBARN
CCOC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1	ZINC000033466884	557400477	/nfs/dbraw/zinc/40/04/77/557400477.db2.gz	YUZZHTWTEIAEQA-UHFFFAOYSA-N	0	0	440.522	2.438	50	5		IEBARN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12)N1CCOCC1	ZINC000104915681	557464506	/nfs/dbraw/zinc/46/45/06/557464506.db2.gz	ABRGKVRTSDYFSR-IRLDBZIGSA-N	0	0	440.475	2.460	50	5		IEBARN
O=C(NCCn1ncc2c1ncn(Cc1ccc([N+](=O)[O-])cc1)c2=O)c1ccc(F)cc1	ZINC000012071978	557526753	/nfs/dbraw/zinc/52/67/53/557526753.db2.gz	GZINCNOAFMCMFJ-UHFFFAOYSA-N	0	0	436.403	2.119	50	5		IEBARN
CCOC(=O)COc1cccc2c1ccn(CC(=O)Nc1ccc([N+](=O)[O-])cc1)c2=O	ZINC000012080553	557528066	/nfs/dbraw/zinc/52/80/66/557528066.db2.gz	ZUXUDRNFUBUZAQ-UHFFFAOYSA-N	0	0	425.397	2.490	50	5		IEBARN
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1	ZINC000108974035	557545116	/nfs/dbraw/zinc/54/51/16/557545116.db2.gz	LLXMCLBTHQIIPX-FGTMMUONSA-N	0	0	431.537	2.044	50	5		IEBARN
N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1	ZINC000000798977	562919149	/nfs/dbraw/zinc/91/91/49/562919149.db2.gz	KINYBQMCDVGRKA-UHFFFAOYSA-N	0	0	443.488	2.405	50	5		IEBARN
O=C(c1ccc(S(=O)(=O)Cc2cc(F)ccc2F)c([N+](=O)[O-])c1)N1CCOCC1	ZINC000003017494	562931677	/nfs/dbraw/zinc/93/16/77/562931677.db2.gz	CHQOJJQBUSIBEL-UHFFFAOYSA-N	0	0	426.397	2.319	50	5		IEBARN
C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000003323976	562934226	/nfs/dbraw/zinc/93/42/26/562934226.db2.gz	CATKSXIRUDFSIO-CQSZACIVSA-N	0	0	434.470	2.293	50	5		IEBARN
CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000008601957	562955748	/nfs/dbraw/zinc/95/57/48/562955748.db2.gz	JTSQNDYMXFSFGX-UHFFFAOYSA-N	0	0	443.485	2.224	50	5		IEBARN
CC[C@@H](C)N(C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000009352502	562969516	/nfs/dbraw/zinc/96/95/16/562969516.db2.gz	YKCJNIKIAAUQHL-UKRRQHHQSA-N	0	0	444.531	2.044	50	5		IEBARN
NS(=O)(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1	ZINC000009612834	562974192	/nfs/dbraw/zinc/97/41/92/562974192.db2.gz	AASCVMWJPSWHNO-UHFFFAOYSA-N	0	0	432.502	2.205	50	5		IEBARN
NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl	ZINC000009613191	562974206	/nfs/dbraw/zinc/97/42/06/562974206.db2.gz	LEQLGQZXETUELF-UHFFFAOYSA-N	0	0	448.240	2.345	50	5		IEBARN
CS(=O)(=O)c1ccc2nc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000009642869	562974745	/nfs/dbraw/zinc/97/47/45/562974745.db2.gz	PZBVAKFPIAEKHM-UHFFFAOYSA-N	0	0	448.482	2.367	50	5		IEBARN
O=C(NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1)OCc1ccccc1	ZINC000009970223	562978161	/nfs/dbraw/zinc/97/81/61/562978161.db2.gz	UTXSFKPOIVELPQ-SFHVURJKSA-N	0	0	426.429	2.451	50	5		IEBARN
CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	ZINC000015952223	563020334	/nfs/dbraw/zinc/02/03/34/563020334.db2.gz	JEQIRWZBEDMXQJ-UHFFFAOYSA-N	0	0	442.428	2.185	50	5		IEBARN
COC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc([N+](=O)[O-])c1	ZINC000001131968	568661589	/nfs/dbraw/zinc/66/15/89/568661589.db2.gz	QNACUYCWWJATSS-UHFFFAOYSA-N	0	0	433.442	2.418	50	5		IEBARN
O=C(CN1C(=O)c2cc(Br)c([N+](=O)[O-])cc2C1=O)OCC(=O)c1ccccc1	ZINC000001170959	568735265	/nfs/dbraw/zinc/73/52/65/568735265.db2.gz	XKCSFKLIMLIJEW-UHFFFAOYSA-N	0	0	447.197	2.379	50	5		IEBARN
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1	ZINC000015391644	568761707	/nfs/dbraw/zinc/76/17/07/568761707.db2.gz	ZQJMFEWXUJRZGD-UHFFFAOYSA-N	0	0	441.448	2.246	50	5		IEBARN
COCCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c1nc1c(C)cccn1c2=O	ZINC000100627943	568837062	/nfs/dbraw/zinc/83/70/62/568837062.db2.gz	PYNNNONDDMQAQH-UHFFFAOYSA-N	0	0	431.496	2.056	50	5		IEBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000015981719	568861695	/nfs/dbraw/zinc/86/16/95/568861695.db2.gz	SOGNKRGCAREADM-HNNXBMFYSA-N	0	0	427.413	2.134	50	5		IEBARN
O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1cccc([N+](=O)[O-])c1	ZINC000001805464	568908554	/nfs/dbraw/zinc/90/85/54/568908554.db2.gz	FCTXKEHKUQFRHA-UHFFFAOYSA-N	0	0	438.483	2.483	50	5		IEBARN
NC(=O)c1c(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc2c1CCCC2	ZINC000001807597	568908749	/nfs/dbraw/zinc/90/87/49/568908749.db2.gz	PDUYZZNLFRPREA-UHFFFAOYSA-N	0	0	442.453	2.259	50	5		IEBARN
COCCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036253101	568984360	/nfs/dbraw/zinc/98/43/60/568984360.db2.gz	SFUZAAPVVLAVQO-FQEVSTJZSA-N	0	0	432.521	2.064	50	5		IEBARN
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12	ZINC000169681353	568991920	/nfs/dbraw/zinc/99/19/20/568991920.db2.gz	UXADFYHMZQJGLU-CTNGQTDRSA-N	0	0	428.464	2.364	50	5		IEBARN
CCNC(=O)[C@H](C)OC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000013159112	569125790	/nfs/dbraw/zinc/12/57/90/569125790.db2.gz	DTCCMWYBJYBEHJ-ZDUSSCGKSA-N	0	0	436.442	2.352	50	5		IEBARN
O=C(c1ccccc1)N1CSC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000071793812	569154324	/nfs/dbraw/zinc/15/43/24/569154324.db2.gz	UFWVSZZOKNMTSA-IBGZPJMESA-N	0	0	426.498	2.459	50	5		IEBARN
O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4F)C[C@@H]32)C(=O)N1	ZINC000016956877	569167243	/nfs/dbraw/zinc/16/72/43/569167243.db2.gz	XTIHMOYCXGKWGX-QGZVFWFLSA-N	0	0	439.403	2.382	50	5		IEBARN
O=[N+]([O-])c1ccc(N[C@@H](CO)c2cccc(Cl)c2)c(S(=O)(=O)N2CCOCC2)c1	ZINC000170633622	569173270	/nfs/dbraw/zinc/17/32/70/569173270.db2.gz	WKQUYIKMLNJECE-KRWDZBQOSA-N	0	0	441.893	2.415	50	5		IEBARN
COC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1	ZINC000252672332	569210054	/nfs/dbraw/zinc/21/00/54/569210054.db2.gz	PXWRDNPUUVLOCF-QGZVFWFLSA-N	0	0	441.490	2.378	50	5		IEBARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccs1	ZINC000002298229	569268363	/nfs/dbraw/zinc/26/83/63/569268363.db2.gz	PYFJSYVZEOICOH-OVHOFWQVSA-N	0	0	445.478	2.361	50	5		IEBARN
COc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@H]34)C2O)cc1	ZINC000253487398	569282918	/nfs/dbraw/zinc/28/29/18/569282918.db2.gz	JTJHWDOEXZKJBA-FUMNGEBKSA-N	0	0	446.419	2.200	50	5		IEBARN
COC(=O)c1c(C)c(C(=O)N2CCOCC2)sc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008926593	569292344	/nfs/dbraw/zinc/29/23/44/569292344.db2.gz	YZEGHOHAERWZJQ-UHFFFAOYSA-N	0	0	433.442	2.476	50	5		IEBARN
CN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)[C@@H](c2ccccc2)C1	ZINC000013148597	569311994	/nfs/dbraw/zinc/31/19/94/569311994.db2.gz	FCDLFFWXCLOKND-HXUWFJFHSA-N	0	0	446.529	2.109	50	5		IEBARN
COc1cc(OC)cc(N2C(=O)C[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)c1	ZINC000019889960	569331649	/nfs/dbraw/zinc/33/16/49/569331649.db2.gz	UEIJKRKGRDANRM-HXUWFJFHSA-N	0	0	440.456	2.066	50	5		IEBARN
O=C(CCn1c(=O)c2ccccc2n(Cc2ccc([N+](=O)[O-])cc2)c1=O)NCc1ccco1	ZINC000020152864	569353409	/nfs/dbraw/zinc/35/34/09/569353409.db2.gz	UBNCKJUSUFZKPF-UHFFFAOYSA-N	0	0	448.435	2.419	50	5		IEBARN
O=C(CCn1c(=O)c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O)NCc1ccco1	ZINC000020152856	569353440	/nfs/dbraw/zinc/35/34/40/569353440.db2.gz	PZPKHTRELXQRNM-UHFFFAOYSA-N	0	0	448.435	2.419	50	5		IEBARN
Cc1c(C(=O)NC2CC2)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	ZINC000096203518	569386274	/nfs/dbraw/zinc/38/62/74/569386274.db2.gz	KVBROJCOCMSHHD-UHFFFAOYSA-N	0	0	449.489	2.106	50	5		IEBARN
Cc1c(C(=O)NC(C)C)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C	ZINC000096203498	569386373	/nfs/dbraw/zinc/38/63/73/569386373.db2.gz	IDUSYPALOZSIOK-UHFFFAOYSA-N	0	0	439.494	2.254	50	5		IEBARN
CCCNC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(C)(C)C)n(C)n1	ZINC000096203896	569386459	/nfs/dbraw/zinc/38/64/59/569386459.db2.gz	LGGJGPUUICXCKG-UHFFFAOYSA-N	0	0	439.494	2.337	50	5		IEBARN
CCC[C@]1(COC)CCCN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000225577933	569404840	/nfs/dbraw/zinc/40/48/40/569404840.db2.gz	MWKCLNKRGRPVJO-HXUWFJFHSA-N	0	0	440.566	2.316	50	5		IEBARN
O=C(N[C@H](NC(=S)Nc1nc[nH]n1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1	ZINC000028294830	569409510	/nfs/dbraw/zinc/40/95/10/569409510.db2.gz	YLAHSHADTPQGDI-SECBINFHSA-N	0	0	438.684	2.126	50	5		IEBARN
C[C@@H]1CCc2c(sc(NC(=O)Cn3cc(Br)c([N+](=O)[O-])n3)c2C(N)=O)C1	ZINC000002746624	569419967	/nfs/dbraw/zinc/41/99/67/569419967.db2.gz	MQODHXODVMJRGI-SSDOTTSWSA-N	0	0	442.295	2.478	50	5		IEBARN
CC[C@@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000002751212	569420180	/nfs/dbraw/zinc/42/01/80/569420180.db2.gz	QOTSMKDVFNIEMN-UPKKBRNCSA-N	0	0	433.442	2.216	50	5		IEBARN
COc1ccc(C=C2NC(=S)N(C[C@H]3CCCO3)C2=O)cc1Cn1cc([N+](=O)[O-])cn1	ZINC000002792578	569421885	/nfs/dbraw/zinc/42/18/85/569421885.db2.gz	MLVFZNPEZBZVMN-FWHZQNPKSA-N	0	0	443.485	2.496	50	5		IEBARN
COc1cc2c(cc1OC)CN(C(=O)CN1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2	ZINC000057121261	569429524	/nfs/dbraw/zinc/42/95/24/569429524.db2.gz	MVMDUPAIHWLOQL-UHFFFAOYSA-N	0	0	440.500	2.319	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O	ZINC000003312464	569445555	/nfs/dbraw/zinc/44/55/55/569445555.db2.gz	QNSQLSYOASFFFU-RYUDHWBXSA-N	0	0	441.396	2.158	50	5		IEBARN
COc1cc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])cc1OC	ZINC000003370888	569448503	/nfs/dbraw/zinc/44/85/03/569448503.db2.gz	DWZNEGROVKTWFB-UHFFFAOYSA-N	0	0	445.428	2.244	50	5		IEBARN
COCCOc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc3c(c2)OCCO3)cc1OC	ZINC000031353504	569456145	/nfs/dbraw/zinc/45/61/45/569456145.db2.gz	RGHNEFNCNPWVLS-UHFFFAOYSA-N	0	0	432.429	2.372	50	5		IEBARN
O=[N+]([O-])c1ccc(NCCN(CCO)S(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000008781021	569475644	/nfs/dbraw/zinc/47/56/44/569475644.db2.gz	FEHPJFJOZWXINS-UHFFFAOYSA-N	0	0	444.853	2.252	50	5		IEBARN
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000068746662	569481926	/nfs/dbraw/zinc/48/19/26/569481926.db2.gz	LRGFBUZJTCOZOQ-CQSZACIVSA-N	0	0	430.436	2.017	50	5		IEBARN
O=C(Cc1ccccc1[N+](=O)[O-])OCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1	ZINC000008881133	569482873	/nfs/dbraw/zinc/48/28/73/569482873.db2.gz	POANKFAHPQSZGI-QGZVFWFLSA-N	0	0	438.502	2.029	50	5		IEBARN
CNS(=O)(=O)c1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)s1	ZINC000040047228	569483706	/nfs/dbraw/zinc/48/37/06/569483706.db2.gz	YKWJFLFCVXHVOX-UHFFFAOYSA-N	0	0	441.534	2.441	50	5		IEBARN
Cc1ccc(CN2C(=[NH2+])N(N)C(C)(C)N2c2ccc(S(=O)(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000009086647	569500690	/nfs/dbraw/zinc/50/06/90/569500690.db2.gz	UTGISJRFJLGHSJ-UHFFFAOYSA-N	0	0	434.478	2.234	50	5		IEBARN
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1OC	ZINC000009095318	569501342	/nfs/dbraw/zinc/50/13/42/569501342.db2.gz	ZRDYKSBXBKWCMS-UHFFFAOYSA-N	0	0	434.430	2.483	50	5		IEBARN
O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000009119986	569503688	/nfs/dbraw/zinc/50/36/88/569503688.db2.gz	JOAHANIRLIOQPY-UHFFFAOYSA-N	0	0	431.788	2.416	50	5		IEBARN
Cc1cc(=O)c(C(=O)OCC(=O)Nc2ccc(F)cc2)nn1-c1ccccc1[N+](=O)[O-]	ZINC000009120595	569503892	/nfs/dbraw/zinc/50/38/92/569503892.db2.gz	VWGBLSJTGCDCHB-UHFFFAOYSA-N	0	0	426.360	2.384	50	5		IEBARN
Cn1c2c(c(-c3cccc([N+](=O)[O-])c3)n3c2[C@H](c2ccc(O)cc2)OCC3)c(=O)n(C)c1=O	ZINC000009348566	569524513	/nfs/dbraw/zinc/52/45/13/569524513.db2.gz	ZSRFPWJBBIACEQ-NRFANRHFSA-N	0	0	448.435	2.439	50	5		IEBARN
CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000009392322	569529104	/nfs/dbraw/zinc/52/91/04/569529104.db2.gz	SAWBSUXPTXWSKJ-QGZVFWFLSA-N	0	0	438.487	2.077	50	5		IEBARN
O=C(CSc1nnc2n3ncnc3c3c4c(sc3n12)CCC4)NCc1ccco1	ZINC000009497982	569541339	/nfs/dbraw/zinc/54/13/39/569541339.db2.gz	CGKOVMRYDRWBKO-UHFFFAOYSA-N	0	0	425.499	2.477	50	5		IEBARN
C[C@@H](OC(=O)CNC(=O)c1ccc(Br)o1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000009509960	569542710	/nfs/dbraw/zinc/54/27/10/569542710.db2.gz	KXXANYLUKQIJLB-SECBINFHSA-N	0	0	440.206	2.251	50	5		IEBARN
C[C@@H](OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccc(Cl)cn1	ZINC000009666386	569557767	/nfs/dbraw/zinc/55/77/67/569557767.db2.gz	UTFRQGDKFGVZEK-SNVBAGLBSA-N	0	0	446.803	2.200	50	5		IEBARN
COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000009698569	569561243	/nfs/dbraw/zinc/56/12/43/569561243.db2.gz	PUWLZCXDBFHVJT-UHFFFAOYSA-N	0	0	433.486	2.321	50	5		IEBARN
O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000009698564	569561246	/nfs/dbraw/zinc/56/12/46/569561246.db2.gz	WEKNZLSNZPFNQX-UHFFFAOYSA-N	0	0	447.469	2.405	50	5		IEBARN
O=C(NCCn1ncc2c1ncn(Cc1ccc(Cl)cc1)c2=O)c1ccc([N+](=O)[O-])o1	ZINC000009823895	569569625	/nfs/dbraw/zinc/56/96/25/569569625.db2.gz	JKPWIOSFZRQXQF-UHFFFAOYSA-N	0	0	442.819	2.226	50	5		IEBARN
C[C@H](C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)N1C(=O)c2ccccc2S1(=O)=O	ZINC000010188073	569578797	/nfs/dbraw/zinc/57/87/97/569578797.db2.gz	GWRMLBKCTMWQII-SECBINFHSA-N	0	0	432.439	2.376	50	5		IEBARN
COc1ccc([C@H]2c3c(-c4ccc([N+](=O)[O-])cc4)n[nH]c(=O)c3Nc3nnnn32)cc1OC	ZINC000010296305	569580581	/nfs/dbraw/zinc/58/05/81/569580581.db2.gz	HGVPTETXXJPZLI-SFHVURJKSA-N	0	0	448.399	2.456	50	5		IEBARN
COc1cccc(N2C[C@@H](NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)c1	ZINC000009519957	132233363	/nfs/dbraw/zinc/23/33/63/132233363.db2.gz	PPYWYRLLVOXVPY-INIZCTEOSA-N	0	0	439.472	2.241	50	5		IEBARN
C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1	ZINC000010221057	132243890	/nfs/dbraw/zinc/24/38/90/132243890.db2.gz	GSZACQDOKBXMDL-INIZCTEOSA-N	0	0	446.533	2.275	50	5		IEBARN
C[C@@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nn1	ZINC000010221058	132243952	/nfs/dbraw/zinc/24/39/52/132243952.db2.gz	CYNGEXCFESSVSH-MRXNPFEDSA-N	0	0	446.533	2.275	50	5		IEBARN
Cn1nnnc1Sc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1[N+](=O)[O-]	ZINC000003311164	132263690	/nfs/dbraw/zinc/26/36/90/132263690.db2.gz	WEJRTMCRAVLHMR-UHFFFAOYSA-N	0	0	443.464	2.371	50	5		IEBARN
Cc1ccc(N2CCN(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)CC2)cc1	ZINC000005570895	132275320	/nfs/dbraw/zinc/27/53/20/132275320.db2.gz	LXIZDSWPHLIOFJ-UHFFFAOYSA-N	0	0	425.489	2.207	50	5		IEBARN
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000008824327	132295296	/nfs/dbraw/zinc/29/52/96/132295296.db2.gz	UXEHSXKSUMDFEN-UHFFFAOYSA-N	0	0	445.428	2.488	50	5		IEBARN
NC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c([N+](=O)[O-])c1	ZINC000009713608	132327103	/nfs/dbraw/zinc/32/71/03/132327103.db2.gz	NMSUWHPOSARYEF-UHFFFAOYSA-N	0	0	440.481	2.358	50	5		IEBARN
Cn1nnnc1Sc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1[N+](=O)[O-]	ZINC000009909003	132331591	/nfs/dbraw/zinc/33/15/91/132331591.db2.gz	KUWZUCIUVYLHEF-UHFFFAOYSA-N	0	0	441.473	2.358	50	5		IEBARN
CC(=O)N1CCc2cc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])ccc21	ZINC000022803208	519632912	/nfs/dbraw/zinc/63/29/12/519632912.db2.gz	NWPFONKEDXFCRB-UHFFFAOYSA-N	0	0	446.485	2.268	50	5		IEBARN
CC[C@@H](C)C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1	ZINC000022412789	521910500	/nfs/dbraw/zinc/91/05/00/521910500.db2.gz	ZSHSZARVHBMQNJ-OAHLLOKOSA-N	0	0	426.539	2.320	50	5		IEBARN
COc1cc(C(=O)N2C[C@@H](C(=O)N(C)C)Oc3ccccc32)c([N+](=O)[O-])c(OC)c1OC	ZINC000021677507	522095709	/nfs/dbraw/zinc/09/57/09/522095709.db2.gz	NOQPEARCVYPHRW-INIZCTEOSA-N	0	0	445.428	2.117	50	5		IEBARN
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-]	ZINC000015409378	525037050	/nfs/dbraw/zinc/03/70/50/525037050.db2.gz	NQFKXLYHWLXDCI-UHFFFAOYSA-N	0	0	435.458	2.372	50	5		IEBARN
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1C	ZINC000035510915	525541198	/nfs/dbraw/zinc/54/11/98/525541198.db2.gz	DSWKQZNNGCMNHP-UHFFFAOYSA-N	0	0	432.502	2.157	50	5		IEBARN
CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)NC(C)(C)C	ZINC000021604542	525551165	/nfs/dbraw/zinc/55/11/65/525551165.db2.gz	LWEOWJPELXEQMZ-IUODEOHRSA-N	0	0	425.507	2.293	50	5		IEBARN
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2C)N2CCOCC2)cc1	ZINC000023107034	525954436	/nfs/dbraw/zinc/95/44/36/525954436.db2.gz	KDALKDHXDTVNBF-FQEVSTJZSA-N	0	0	426.473	2.340	50	5		IEBARN
O=C(c1ccc(Cl)cc1O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000012771589	526679605	/nfs/dbraw/zinc/67/96/05/526679605.db2.gz	AQPSBCQSDYNGTH-UHFFFAOYSA-N	0	0	425.850	2.101	50	5		IEBARN
O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)Nc1ccc(F)c(F)c1	ZINC000036732878	526844843	/nfs/dbraw/zinc/84/48/43/526844843.db2.gz	MSWSUTPOSVNWMB-SNVBAGLBSA-N	0	0	436.346	2.120	50	5		IEBARN
Cc1nc(SCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C(N)=O)c(C)c1C	ZINC000012540434	527015401	/nfs/dbraw/zinc/01/54/01/527015401.db2.gz	PMFRWBLRUYXRCA-UHFFFAOYSA-N	0	0	443.529	2.455	50	5		IEBARN
O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000016431321	527461254	/nfs/dbraw/zinc/46/12/54/527461254.db2.gz	HFJORSMKZCNIFE-UHFFFAOYSA-N	0	0	444.469	2.329	50	5		IEBARN
Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1[N+](=O)[O-]	ZINC000012521953	527472663	/nfs/dbraw/zinc/47/26/63/527472663.db2.gz	QCUWBCPWGKEIHH-UHFFFAOYSA-N	0	0	427.461	2.103	50	5		IEBARN
CCNc1cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-]	ZINC000004125015	535521702	/nfs/dbraw/zinc/52/17/02/535521702.db2.gz	IHYXKXMTMVZKDF-UHFFFAOYSA-N	0	0	435.462	2.446	50	5		IEBARN
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	ZINC000032818850	556393864	/nfs/dbraw/zinc/39/38/64/556393864.db2.gz	UPEYIKZVSPYZET-CYBMUJFWSA-N	0	0	449.460	2.346	50	5		IEBARN
Cc1ccc2nc3c(cc(C(=O)NCc4ccco4)c(=N)n3Cc3cccnc3)c(=O)n2c1	ZINC000013464912	556506865	/nfs/dbraw/zinc/50/68/65/556506865.db2.gz	GQTAXUKZAYIDMG-UHFFFAOYSA-N	0	0	440.463	2.403	50	5		IEBARN
COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000032899959	556531934	/nfs/dbraw/zinc/53/19/34/556531934.db2.gz	ODKNHULDJQPPEX-UHFFFAOYSA-N	0	0	434.426	2.294	50	5		IEBARN
CN1CCN(S(=O)(=O)c2ccc(Oc3ccc4ccc(=O)oc4c3)c([N+](=O)[O-])c2)CC1	ZINC000034800111	556582622	/nfs/dbraw/zinc/58/26/22/556582622.db2.gz	ACINIFZITHSGSP-UHFFFAOYSA-N	0	0	445.453	2.430	50	5		IEBARN
Cc1sc2ncn(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)c2c1C	ZINC000022985293	556652416	/nfs/dbraw/zinc/65/24/16/556652416.db2.gz	MSKDQNXAAOGWLD-UHFFFAOYSA-N	0	0	427.486	2.332	50	5		IEBARN
CN(C)CCN1C(=O)C(=O)C(S(=O)(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000024193219	556689318	/nfs/dbraw/zinc/68/93/18/556689318.db2.gz	VGZHPDWERKIASY-QGZVFWFLSA-N	0	0	431.470	2.283	50	5		IEBARN
COc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000013748633	556724531	/nfs/dbraw/zinc/72/45/31/556724531.db2.gz	BBWKCPDXGRFBBB-KRWDZBQOSA-N	0	0	434.470	2.198	50	5		IEBARN
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2c3ccccc3C=CN12	ZINC000247306427	556792210	/nfs/dbraw/zinc/79/22/10/556792210.db2.gz	GUDLRFKUINIPKG-BRSBDYLESA-N	0	0	438.827	2.485	50	5		IEBARN
CCCN(CC(=O)N(C)C)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000060564630	556888817	/nfs/dbraw/zinc/88/88/17/556888817.db2.gz	YLCHTUHUXFQBFZ-OAHLLOKOSA-N	0	0	426.539	2.320	50	5		IEBARN
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c([N+](=O)[O-])c1	ZINC000023107346	557001857	/nfs/dbraw/zinc/00/18/57/557001857.db2.gz	MJKFUYIVHQXKDD-LJQANCHMSA-N	0	0	430.436	2.171	50	5		IEBARN
COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2C)N2CCOCC2)cc1	ZINC000023107557	557002119	/nfs/dbraw/zinc/00/21/19/557002119.db2.gz	ABVXXRZFWNEGDL-HXUWFJFHSA-N	0	0	442.472	2.040	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1	ZINC000043190970	557018462	/nfs/dbraw/zinc/01/84/62/557018462.db2.gz	FHYOBMRFNKCBII-UHFFFAOYSA-N	0	0	444.400	2.118	50	5		IEBARN
CCOC(=O)c1cc(C(=O)N2CCC(C(=O)Nc3cnn(CC)c3)CC2)cc([N+](=O)[O-])c1	ZINC000048310170	557060204	/nfs/dbraw/zinc/06/02/04/557060204.db2.gz	MJTRNDKTUITSCV-UHFFFAOYSA-N	0	0	443.460	2.479	50	5		IEBARN
CN1CCN(S(=O)(=O)c2ccc(SC[C@@H](O)c3ccccc3)c([N+](=O)[O-])c2)CC1	ZINC000048302536	557063617	/nfs/dbraw/zinc/06/36/17/557063617.db2.gz	IRJGOMIEQYINRN-GOSISDBHSA-N	0	0	437.543	2.357	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=NN1[C@@H]2C(C)=O	ZINC000017822636	557124540	/nfs/dbraw/zinc/12/45/40/557124540.db2.gz	XFAYNBZCTHYGMB-IYWMVGAKSA-N	0	0	434.408	2.071	50	5		IEBARN
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O	ZINC000011378549	557129804	/nfs/dbraw/zinc/12/98/04/557129804.db2.gz	UOEVVKSSDMQURI-JOCHJYFZSA-N	0	0	436.424	2.372	50	5		IEBARN
COC(=O)Cn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)[C@@H]1COc2ccccc2O1	ZINC000100876528	557195054	/nfs/dbraw/zinc/19/50/54/557195054.db2.gz	PYMCUORSQFGGBL-DNTCVELPSA-N	0	0	429.410	2.051	50	5		IEBARN
CN(Cc1c(F)cccc1Cl)C(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000024926835	557223498	/nfs/dbraw/zinc/22/34/98/557223498.db2.gz	NUQZXHNMDACQOU-UHFFFAOYSA-N	0	0	431.829	2.072	50	5		IEBARN
CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCc2ccc(OC)cc2)c1=N	ZINC000101084317	557231963	/nfs/dbraw/zinc/23/19/63/557231963.db2.gz	BXANRGGUBGAOFB-UHFFFAOYSA-N	0	0	431.496	2.438	50	5		IEBARN
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CC(C)C)CC2)c([N+](=O)[O-])c1	ZINC000018040571	557234364	/nfs/dbraw/zinc/23/43/64/557234364.db2.gz	JUTNLZIEYJIOFK-UHFFFAOYSA-N	0	0	426.539	2.320	50	5		IEBARN
COCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccc(F)cc2)c1=N	ZINC000101143258	557262149	/nfs/dbraw/zinc/26/21/49/557262149.db2.gz	WJXFTDORAWQDAV-UHFFFAOYSA-N	0	0	449.486	2.391	50	5		IEBARN
N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1	ZINC000100627211	557266427	/nfs/dbraw/zinc/26/64/27/557266427.db2.gz	OXOSQNAYXYPGAF-SFHVURJKSA-N	0	0	443.507	2.280	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000024949249	557267762	/nfs/dbraw/zinc/26/77/62/557267762.db2.gz	BEUJSRONZCQSAJ-UHFFFAOYSA-N	0	0	438.458	2.082	50	5		IEBARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000833682	557278041	/nfs/dbraw/zinc/27/80/41/557278041.db2.gz	ZSEARIISKXNDIG-MUMAZLPKSA-N	0	0	439.449	2.300	50	5		IEBARN
O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000014285360	557332895	/nfs/dbraw/zinc/33/28/95/557332895.db2.gz	SBZDMASWXYZHTL-UHFFFAOYSA-N	0	0	427.852	2.251	50	5		IEBARN
O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000103525793	557438383	/nfs/dbraw/zinc/43/83/83/557438383.db2.gz	FPMAOYXQQZULIS-MKXGPGLRSA-N	0	0	434.383	2.331	50	5		IEBARN
N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1	ZINC000000702672	562919026	/nfs/dbraw/zinc/91/90/26/562919026.db2.gz	YOBPVVQQTXGMLH-HNNXBMFYSA-N	0	0	436.493	2.140	50	5	aggregator	IEBARN
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000001122109	562920611	/nfs/dbraw/zinc/92/06/11/562920611.db2.gz	CDOQTYUWWPSKRT-UHFFFAOYSA-N	0	0	446.485	2.236	50	5		IEBARN
COc1cccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCS(=O)(=O)C2)c1	ZINC000008917336	562966082	/nfs/dbraw/zinc/96/60/82/562966082.db2.gz	BGTWWUHTEBPNJX-MRXNPFEDSA-N	0	0	434.470	2.198	50	5		IEBARN
CC[C@@H](C)N(C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1	ZINC000009352504	562969519	/nfs/dbraw/zinc/96/95/19/562969519.db2.gz	YKCJNIKIAAUQHL-HIFRSBDPSA-N	0	0	444.531	2.044	50	5		IEBARN
C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000009612827	562974132	/nfs/dbraw/zinc/97/41/32/562974132.db2.gz	NQHIYZCFHNCVGY-HNNXBMFYSA-N	0	0	429.429	2.381	50	5		IEBARN
CC(C)CN(C(=O)c1ccc([N+](=O)[O-])s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000012846615	562983119	/nfs/dbraw/zinc/98/31/19/562983119.db2.gz	SXHQLFNXZNQOOY-UHFFFAOYSA-N	0	0	443.485	2.440	50	5		IEBARN
CN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000019797585	563023139	/nfs/dbraw/zinc/02/31/39/563023139.db2.gz	LBRRSKNIUNZCGX-UHFFFAOYSA-N	0	0	434.456	2.420	50	5		IEBARN
CCN(CC)S(=O)(=O)c1ccc(OC)c(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1	ZINC000025252115	568648319	/nfs/dbraw/zinc/64/83/19/568648319.db2.gz	ZZXVLEJMWIMVSD-UHFFFAOYSA-N	0	0	436.490	2.345	50	5		IEBARN
COc1ccc(C(=O)N2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)cc1OC	ZINC000025283333	568650790	/nfs/dbraw/zinc/65/07/90/568650790.db2.gz	XFQPGEPXJNFJCQ-UHFFFAOYSA-N	0	0	443.456	2.437	50	5		IEBARN
COc1cc(CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c([N+](=O)[O-])cc1OC	ZINC000015362736	568760038	/nfs/dbraw/zinc/76/00/38/568760038.db2.gz	DFRXZMLACYLLMD-UHFFFAOYSA-N	0	0	438.458	2.294	50	5		IEBARN
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21	ZINC000001312024	568779494	/nfs/dbraw/zinc/77/94/94/568779494.db2.gz	MESZIFLUINCVJA-ZRNYENFQSA-N	0	0	449.419	2.292	50	5		IEBARN
N=c1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1	ZINC000100627372	568838767	/nfs/dbraw/zinc/83/87/67/568838767.db2.gz	RPBCPSYFNQCJEU-QGZVFWFLSA-N	0	0	429.480	2.238	50	5		IEBARN
CCOCCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c1nc1ccccn1c2=O	ZINC000100633087	568838999	/nfs/dbraw/zinc/83/89/99/568838999.db2.gz	HUPCUTRXWJQOKO-UHFFFAOYSA-N	0	0	438.509	2.388	50	5		IEBARN
O=c1/c(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)sc2nc3cc(Br)cnc3n12	ZINC000006456710	568908175	/nfs/dbraw/zinc/90/81/75/568908175.db2.gz	YUVNDBDLVMXQLO-SILLCRNTSA-N	0	0	447.226	2.251	50	5		IEBARN
Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000016564956	568922156	/nfs/dbraw/zinc/92/21/56/568922156.db2.gz	FDUSPOCMPASMNU-GOSISDBHSA-N	0	0	439.516	2.477	50	5		IEBARN
Cc1c(-c2cc(-c3cnn(C)c3C)n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cnn1C	ZINC000036611618	569123658	/nfs/dbraw/zinc/12/36/58/569123658.db2.gz	NUJFJLHMCMKICC-UHFFFAOYSA-N	0	0	441.473	2.446	50	5		IEBARN
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)[NH+]3CCC(C(N)=O)CC3)c([O-])n2n1	ZINC000036673286	569132138	/nfs/dbraw/zinc/13/21/38/569132138.db2.gz	BTBKSDKNQKCVPL-HNNXBMFYSA-N	0	0	430.490	2.254	50	5		IEBARN
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000065564977	569139285	/nfs/dbraw/zinc/13/92/85/569139285.db2.gz	SDSRZFVJAJNANU-UHFFFAOYSA-N	0	0	437.478	2.003	50	5		IEBARN
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009955199	569151183	/nfs/dbraw/zinc/15/11/83/569151183.db2.gz	BIWXZSGJWGWGLG-CYBMUJFWSA-N	0	0	435.458	2.338	50	5		IEBARN
Cc1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)cc1	ZINC000252593804	569192824	/nfs/dbraw/zinc/19/28/24/569192824.db2.gz	BMFUCMFNLSRSRF-CROMWVBPSA-N	0	0	433.420	2.146	50	5		IEBARN
CN(C)c1cc(F)c(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-]	ZINC000241587975	569202834	/nfs/dbraw/zinc/20/28/34/569202834.db2.gz	OYRRXFLERMBKRG-UHFFFAOYSA-N	0	0	447.442	2.336	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3CCC[C@H]23)C1O	ZINC000002234730	569211468	/nfs/dbraw/zinc/21/14/68/569211468.db2.gz	VHKHFMYNLHHQFA-XFWGSAIBSA-N	0	0	435.436	2.439	50	5		IEBARN
CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1	ZINC000009891885	569298271	/nfs/dbraw/zinc/29/82/71/569298271.db2.gz	OEQPSHYZGRUKRH-UHFFFAOYSA-N	0	0	433.534	2.178	50	5		IEBARN
Cc1cc(S(=O)(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)ccc1[N+](=O)[O-]	ZINC000079062538	569300583	/nfs/dbraw/zinc/30/05/83/569300583.db2.gz	QCRGMCBZZZWDOD-UHFFFAOYSA-N	0	0	437.522	2.480	50	5		IEBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1	ZINC000013004401	569306269	/nfs/dbraw/zinc/30/62/69/569306269.db2.gz	RUVBVGYAOPQJSI-UHFFFAOYSA-N	0	0	439.515	2.035	50	5		IEBARN
Cc1nccn1-c1ccc(CNC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)cc1F	ZINC000078821861	569319313	/nfs/dbraw/zinc/31/93/13/569319313.db2.gz	GMTKJMNREZZMJV-UHFFFAOYSA-N	0	0	447.448	2.114	50	5		IEBARN
NC(=O)NCCCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000078823341	569319499	/nfs/dbraw/zinc/31/94/99/569319499.db2.gz	NKFHIZAVNMIQLE-UHFFFAOYSA-N	0	0	431.415	2.395	50	5		IEBARN
Cc1nnc([C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)[nH]1	ZINC000079107804	569325889	/nfs/dbraw/zinc/32/58/89/569325889.db2.gz	ZRDRNZOTWVXSLH-SNVBAGLBSA-N	0	0	430.284	2.352	50	5		IEBARN
O=C(Cn1ncc2c1c1ccccc1oc2=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000020215811	569356680	/nfs/dbraw/zinc/35/66/80/569356680.db2.gz	USFVYEQBFYFEOX-UHFFFAOYSA-N	0	0	433.424	2.400	50	5		IEBARN
O=C(CCNC(=O)c1ccc(F)cc1F)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000095377517	569363143	/nfs/dbraw/zinc/36/31/43/569363143.db2.gz	HAUVGHVXCSZWOQ-UHFFFAOYSA-N	0	0	432.427	2.337	50	5		IEBARN
CCN(CC)S(=O)(=O)c1ccc(NCCC(=O)NCc2ccccn2)c([N+](=O)[O-])c1	ZINC000096011446	569379771	/nfs/dbraw/zinc/37/97/71/569379771.db2.gz	TYIBADULKLEKSY-UHFFFAOYSA-N	0	0	435.506	2.139	50	5		IEBARN
CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC(C)C)nn1C	ZINC000096203467	569386358	/nfs/dbraw/zinc/38/63/58/569386358.db2.gz	DHINECAYDIOEST-GFCCVEGCSA-N	0	0	439.494	2.336	50	5		IEBARN
CC(C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC(C)C)nn1C	ZINC000096203455	569386360	/nfs/dbraw/zinc/38/63/60/569386360.db2.gz	BOWLUWUBFJESCE-UHFFFAOYSA-N	0	0	439.494	2.193	50	5		IEBARN
O=C(Cn1c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(=O)c2ccc(Cl)cc21)N1CCCC1	ZINC000096317854	569392272	/nfs/dbraw/zinc/39/22/72/569392272.db2.gz	BLOBUBOUJJINJJ-UHFFFAOYSA-N	0	0	428.832	2.336	50	5		IEBARN
COCC(=O)N1CCN(c2nc(C3CC3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000096316921	569393076	/nfs/dbraw/zinc/39/30/76/569393076.db2.gz	DQBFKWBVPDYKDH-UHFFFAOYSA-N	0	0	425.489	2.456	50	5		IEBARN
O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ncc(Cl)cc1Cl	ZINC000002659726	569415954	/nfs/dbraw/zinc/41/59/54/569415954.db2.gz	ZVXBGDVDMINETP-UHFFFAOYSA-N	0	0	427.200	2.208	50	5		IEBARN
O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)NC[C@@H]1CCCO1	ZINC000002720078	569417806	/nfs/dbraw/zinc/41/78/06/569417806.db2.gz	QEQGEFWZMPYOIT-AWEZNQCLSA-N	0	0	448.526	2.176	50	5		IEBARN
CCCNC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000002854529	569423463	/nfs/dbraw/zinc/42/34/63/569423463.db2.gz	VEYBPPUIMPEOJG-UHFFFAOYSA-N	0	0	434.474	2.139	50	5		IEBARN
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000029938141	569439438	/nfs/dbraw/zinc/43/94/38/569439438.db2.gz	CCOPDPUXZABTKX-UHFFFAOYSA-N	0	0	439.877	2.483	50	5		IEBARN
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)Nc1cccc([N+](=O)[O-])c1	ZINC000003245561	569442745	/nfs/dbraw/zinc/44/27/45/569442745.db2.gz	JOXHFXXTSFZYAJ-UHFFFAOYSA-N	0	0	433.442	2.175	50	5		IEBARN
Cc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2OC(F)F)ccc1[N+](=O)[O-]	ZINC000003281523	569443880	/nfs/dbraw/zinc/44/38/80/569443880.db2.gz	FUMOFMAPKZOQQS-UHFFFAOYSA-N	0	0	437.355	2.416	50	5		IEBARN
O=C(COC(=O)c1cccnc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000003296399	569444775	/nfs/dbraw/zinc/44/47/75/569444775.db2.gz	DKLLQBPUPHDOQH-UHFFFAOYSA-N	0	0	448.438	2.075	50	5		IEBARN
Cc1ccnc(NC(=O)CN(C)c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1	ZINC000058244818	569451487	/nfs/dbraw/zinc/45/14/87/569451487.db2.gz	CIFZJZZQUYIQPN-UHFFFAOYSA-N	0	0	433.490	2.158	50	5		IEBARN
COc1ccc(S(=O)(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)cc1[N+](=O)[O-]	ZINC000058298339	569452504	/nfs/dbraw/zinc/45/25/04/569452504.db2.gz	CDUBUKLIHWLVLD-UHFFFAOYSA-N	0	0	426.472	2.148	50	5		IEBARN
CCOC(=O)c1cn(Cc2ccco2)c2cc(N3CCN(C)CC3)c([N+](=O)[O-])cc2c1=O	ZINC000008926436	569487283	/nfs/dbraw/zinc/48/72/83/569487283.db2.gz	XUALICGXEQHBGN-UHFFFAOYSA-N	0	0	440.456	2.480	50	5		IEBARN
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCN(c2ncccn2)CC1	ZINC000040159418	569493075	/nfs/dbraw/zinc/49/30/75/569493075.db2.gz	VRTUVZTVMCUSGA-QGZVFWFLSA-N	0	0	446.895	2.141	50	5		IEBARN
COc1cc(-c2nnc3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc(OC)c1OC	ZINC000009088303	569500853	/nfs/dbraw/zinc/50/08/53/569500853.db2.gz	SCPQFMYBGLNYFX-LZYBPNLTSA-N	0	0	440.437	2.300	50	5		IEBARN
C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000009124989	569504510	/nfs/dbraw/zinc/50/45/10/569504510.db2.gz	ZFZDNPZBASGTGM-LLVKDONJSA-N	0	0	430.369	2.321	50	5		IEBARN
Cn1c2c(c(-c3cccc([N+](=O)[O-])c3)n3c2[C@@H](c2ccccc2O)OCC3)c(=O)n(C)c1=O	ZINC000009164651	569508801	/nfs/dbraw/zinc/50/88/01/569508801.db2.gz	DWXCOBSZFJJQRY-OAQYLSRUSA-N	0	0	448.435	2.439	50	5		IEBARN
O=c1cc(Cc2nnc(SCc3cccc([N+](=O)[O-])c3)n2-c2ccccc2)[nH]c(=O)[nH]1	ZINC000009382000	569528183	/nfs/dbraw/zinc/52/81/83/569528183.db2.gz	ZEBPSMBYWDNUOA-UHFFFAOYSA-N	0	0	436.453	2.435	50	5		IEBARN
O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)OCC(=O)c1ccc2c(c1)OCCO2	ZINC000009441709	569535411	/nfs/dbraw/zinc/53/54/11/569535411.db2.gz	ZXXFUKLCIXLEDV-UHFFFAOYSA-N	0	0	434.788	2.175	50	5		IEBARN
CNc1ccc(S(=O)(=O)NCC(=O)OCc2nc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000009492891	569540663	/nfs/dbraw/zinc/54/06/63/569540663.db2.gz	WRLKYFWFNYRORH-UHFFFAOYSA-N	0	0	436.471	2.268	50	5		IEBARN
O=C(Cn1cnc2c(nnn2-c2ccc(Cl)cc2)c1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000009517782	569543777	/nfs/dbraw/zinc/54/37/77/569543777.db2.gz	OHNABVCZZQZWSC-UHFFFAOYSA-N	0	0	425.792	2.178	50	5		IEBARN
COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c([N+](=O)[O-])c1	ZINC000009580007	569548723	/nfs/dbraw/zinc/54/87/23/569548723.db2.gz	JZNYHLSKIICRLB-LJQANCHMSA-N	0	0	434.355	2.287	50	5		IEBARN
CCOc1ccc(CCNC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1OCC	ZINC000009635355	569554667	/nfs/dbraw/zinc/55/46/67/569554667.db2.gz	BOWRBGHYWIPWBE-UHFFFAOYSA-N	0	0	431.445	2.490	50	5		IEBARN
O=C(c1cccc(OC(F)F)c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000009646306	569556239	/nfs/dbraw/zinc/55/62/39/569556239.db2.gz	WPCRXCCSEFQMDD-UHFFFAOYSA-N	0	0	441.412	2.343	50	5		IEBARN
COC(=O)Cn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccccc1[N+](=O)[O-]	ZINC000009809208	569569055	/nfs/dbraw/zinc/56/90/55/569569055.db2.gz	JLPBLJHPEQGDDH-VZCXRCSSSA-N	0	0	428.426	2.484	50	5		IEBARN
O=C(COC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000009963081	569575745	/nfs/dbraw/zinc/57/57/45/569575745.db2.gz	ITRNBZKLOAMPOW-UHFFFAOYSA-N	0	0	436.306	2.385	50	5		IEBARN
CSc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2CCNC2=O)cc1[N+](=O)[O-]	ZINC000010154550	569578188	/nfs/dbraw/zinc/57/81/88/569578188.db2.gz	GTYKRHZPKKQJKY-UHFFFAOYSA-N	0	0	443.437	2.256	50	5		IEBARN
O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000010188056	569578805	/nfs/dbraw/zinc/57/88/05/569578805.db2.gz	XLVJUKUTQJVAMB-UHFFFAOYSA-N	0	0	432.439	2.378	50	5		IEBARN
COc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2ccccc2[N+](=O)[O-])n2nnnc2N3)cc1OC	ZINC000010297166	569580576	/nfs/dbraw/zinc/58/05/76/569580576.db2.gz	VZFBGNBEXXKIEV-SFHVURJKSA-N	0	0	448.399	2.456	50	5		IEBARN
COc1ccc([C@H]2c3c(-c4ccc([N+](=O)[O-])cc4)n[nH]c(=O)c3Nc3nnnn32)c(OC)c1	ZINC000010296315	569580591	/nfs/dbraw/zinc/58/05/91/569580591.db2.gz	HXEFYEDAFCWJQE-SFHVURJKSA-N	0	0	448.399	2.456	50	5		IEBARN
O=C(Cn1c(=O)c2sccc2n(Cc2ccc([N+](=O)[O-])cc2)c1=O)NCc1ccco1	ZINC000010433612	569582073	/nfs/dbraw/zinc/58/20/73/569582073.db2.gz	ILEXQOVUWFSWSN-UHFFFAOYSA-N	0	0	440.437	2.091	50	5		IEBARN
COc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	ZINC000000653832	193873826	/nfs/dbraw/zinc/87/38/26/193873826.db2.gz	FBBSXYFKYRNXFF-UHFFFAOYSA-N	0	0	435.458	2.086	50	5		IEBARN
COc1cc(/C=c2\sc3n(c2=O)CN(c2ccc(C)cc2)CN=3)c([N+](=O)[O-])cc1OC	ZINC000001180902	132238639	/nfs/dbraw/zinc/23/86/39/132238639.db2.gz	MDHNLGLIEPTWRY-OCKHKDLRSA-N	0	0	440.481	2.027	50	5		IEBARN
CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1	ZINC000008659861	132289306	/nfs/dbraw/zinc/28/93/06/132289306.db2.gz	FFILNQDLXITOEF-MRXNPFEDSA-N	0	0	438.550	2.464	50	5		IEBARN
O=C([C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009095562	132302632	/nfs/dbraw/zinc/30/26/32/132302632.db2.gz	GCYWBYKLDFZFCJ-GOSISDBHSA-N	0	0	440.475	2.474	50	5		IEBARN
C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)NC(=O)c3cccn3C)cc2[N+](=O)[O-])C1	ZINC000009509927	132319978	/nfs/dbraw/zinc/31/99/78/132319978.db2.gz	YAEYGEODKWDTEM-AWEZNQCLSA-N	0	0	428.445	2.283	50	5		IEBARN
CN1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2[N+](=O)[O-])CC1	ZINC000009546105	132321234	/nfs/dbraw/zinc/32/12/34/132321234.db2.gz	JXUYJRCXOGXEFT-UHFFFAOYSA-N	0	0	448.501	2.309	50	5		IEBARN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	ZINC000009962864	132332990	/nfs/dbraw/zinc/33/29/90/132332990.db2.gz	HPCGUEXUJMFFKX-UHFFFAOYSA-N	0	0	426.351	2.251	50	5		IEBARN
CC(C)c1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000015883483	519853008	/nfs/dbraw/zinc/85/30/08/519853008.db2.gz	ZOGDVAJEAGLKFB-UHFFFAOYSA-N	0	0	443.485	2.395	50	5		IEBARN
CCN1CCN(C(=O)[C@@H](C)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1	ZINC000012606359	521666364	/nfs/dbraw/zinc/66/63/64/521666364.db2.gz	QUKPLRSXNJQKEO-OAHLLOKOSA-N	0	0	443.470	2.288	50	5		IEBARN
CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000012750815	522512777	/nfs/dbraw/zinc/51/27/77/522512777.db2.gz	VJMMANLXXUOSBI-UHFFFAOYSA-N	0	0	432.408	2.404	50	5		IEBARN
CNc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1[N+](=O)[O-]	ZINC000012642630	522585157	/nfs/dbraw/zinc/58/51/57/522585157.db2.gz	IZVZQONOIDCMQJ-UHFFFAOYSA-N	0	0	444.922	2.498	50	5		IEBARN
COc1ccc(C(=O)N[C@H](CO)c2nnc(SCc3ccccc3[N+](=O)[O-])n2C)cc1	ZINC000018201379	523736514	/nfs/dbraw/zinc/73/65/14/523736514.db2.gz	ZKBRTMUTCXFVRT-MRXNPFEDSA-N	0	0	443.485	2.488	50	5		IEBARN
CC[C@H](C(=O)NCCn1cc([N+](=O)[O-])c(OC)n1)n1nc(C(F)(F)F)c2c1CCC2	ZINC000020607607	523778178	/nfs/dbraw/zinc/77/81/78/523778178.db2.gz	NTALZRLUSYCRKQ-LLVKDONJSA-N	0	0	430.387	2.271	50	5		IEBARN
CN1CCN(S(=O)(=O)c2ccc(N3CCO[C@H](c4ccccc4)C3)c([N+](=O)[O-])c2)CC1	ZINC000012644612	523915328	/nfs/dbraw/zinc/91/53/28/523915328.db2.gz	YNPMUHVAOHLWBC-NRFANRHFSA-N	0	0	446.529	2.109	50	5		IEBARN
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NCCN3CCOCC3)c([N+](=O)[O-])c2)C1	ZINC000015208356	524887515	/nfs/dbraw/zinc/88/75/15/524887515.db2.gz	MKDGYGAJNXWWIT-HOTGVXAUSA-N	0	0	426.539	2.006	50	5		IEBARN
COc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccsc3)CC2)cc1[N+](=O)[O-]	ZINC000012930361	525032736	/nfs/dbraw/zinc/03/27/36/525032736.db2.gz	DFTRXYOJQHSNOP-GORDUTHDSA-N	0	0	437.499	2.211	50	5		IEBARN
Cc1ccccc1Cc1nc2c(c(=O)[nH]1)CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2	ZINC000035819038	525202053	/nfs/dbraw/zinc/20/20/53/525202053.db2.gz	PGAMUIWEPQOANU-UHFFFAOYSA-N	0	0	440.481	2.324	50	5		IEBARN
Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-]	ZINC000012786688	525222990	/nfs/dbraw/zinc/22/29/90/525222990.db2.gz	YGJBBTHRJFZPND-MRXNPFEDSA-N	0	0	447.469	2.466	50	5		IEBARN
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1	ZINC000012444304	525248482	/nfs/dbraw/zinc/24/84/82/525248482.db2.gz	YSPTXWYMTMCREQ-UHFFFAOYSA-N	0	0	446.383	2.356	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1	ZINC000008691204	525465618	/nfs/dbraw/zinc/46/56/18/525465618.db2.gz	RNQONAGAKMNNAK-UHFFFAOYSA-N	0	0	434.401	2.354	50	5		IEBARN
C[C@@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1	ZINC000012731821	525934614	/nfs/dbraw/zinc/93/46/14/525934614.db2.gz	SHOPOTNWTWFKSK-SECBINFHSA-N	0	0	444.263	2.411	50	5		IEBARN
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000015407517	526079319	/nfs/dbraw/zinc/07/93/19/526079319.db2.gz	YGBAEVKBMIISDL-HNNXBMFYSA-N	0	0	433.486	2.434	50	5		IEBARN
O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCOCC1	ZINC000021842038	527230211	/nfs/dbraw/zinc/23/02/11/527230211.db2.gz	ZVLJXDIIHSPQAV-NRFANRHFSA-N	0	0	426.473	2.443	50	5		IEBARN
O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCCNc1ccccc1[N+](=O)[O-]	ZINC000024320331	527244020	/nfs/dbraw/zinc/24/40/20/527244020.db2.gz	BJIFHIIXUFEMMF-UHFFFAOYSA-N	0	0	438.531	2.212	50	5		IEBARN
CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1	ZINC000008659862	535467072	/nfs/dbraw/zinc/46/70/72/535467072.db2.gz	FFILNQDLXITOEF-INIZCTEOSA-N	0	0	438.550	2.464	50	5		IEBARN
CCCc1nnc(NC(=O)CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1	ZINC000009245643	535550215	/nfs/dbraw/zinc/55/02/15/535550215.db2.gz	ZHFZDBGHHJEYEE-UHFFFAOYSA-N	0	0	432.506	2.466	50	5		IEBARN
O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000229865786	556191003	/nfs/dbraw/zinc/19/10/03/556191003.db2.gz	BCCDAKKSTLWCDS-SUWCGCSTSA-N	0	0	436.399	2.165	50	5		IEBARN
NS(=O)(=O)c1ccc(NCCC(=O)NCCc2cccc(Cl)c2)c([N+](=O)[O-])c1	ZINC000032747542	556316315	/nfs/dbraw/zinc/31/63/15/556316315.db2.gz	OKXFGXWLZTUFNJ-UHFFFAOYSA-N	0	0	426.882	2.057	50	5		IEBARN
COc1cc(CCNC(=O)NCc2cccnc2-n2ccnc2)c([N+](=O)[O-])cc1OC	ZINC000032803412	556374806	/nfs/dbraw/zinc/37/48/06/556374806.db2.gz	OIXDYILYPTUWNH-UHFFFAOYSA-N	0	0	426.433	2.235	50	5		IEBARN
CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN21	ZINC000229900382	556404821	/nfs/dbraw/zinc/40/48/21/556404821.db2.gz	MPUOWZKNKMABMX-YRPNKDGESA-N	0	0	448.435	2.345	50	5		IEBARN
COCCCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(CCc2ccccc2)c1=N	ZINC000013464900	556506487	/nfs/dbraw/zinc/50/64/87/556506487.db2.gz	BWRUMOVHRYHNOU-UHFFFAOYSA-N	0	0	445.523	2.446	50	5		IEBARN
CCc1ccc(OC[C@H](O)Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)cc1	ZINC000032911932	556585349	/nfs/dbraw/zinc/58/53/49/556585349.db2.gz	VKSCQVOSTCCTCX-MRXNPFEDSA-N	0	0	435.440	2.493	50	5		IEBARN
CCOCCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c1nc1ccc(C)cn1c2=O	ZINC000100811322	556676223	/nfs/dbraw/zinc/67/62/23/556676223.db2.gz	BIIZHGMUCHDZAM-UHFFFAOYSA-N	0	0	446.511	2.189	50	5		IEBARN
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCC[C@@H]1O	ZINC000013575024	556698325	/nfs/dbraw/zinc/69/83/25/556698325.db2.gz	BYTZXBUMAKHHJI-MOPGFXCFSA-N	0	0	433.486	2.210	50	5		IEBARN
CCN(C(=O)COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1	ZINC000003403983	556814423	/nfs/dbraw/zinc/81/44/23/556814423.db2.gz	PSPRFXFDDYPCIS-UHFFFAOYSA-N	0	0	425.397	2.177	50	5		IEBARN
Cc1nn(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)c(C)c1[N+](=O)[O-]	ZINC000096585720	556836352	/nfs/dbraw/zinc/83/63/52/556836352.db2.gz	NADKJIPNLKOONY-XNTDXEJSSA-N	0	0	429.458	2.261	50	5		IEBARN
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1	ZINC000010671329	556992639	/nfs/dbraw/zinc/99/26/39/556992639.db2.gz	FCQRBCMTUNBGQS-GASCZTMLSA-N	0	0	449.485	2.410	50	5		IEBARN
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1	ZINC000010671339	556992680	/nfs/dbraw/zinc/99/26/80/556992680.db2.gz	FCQRBCMTUNBGQS-HUUCEWRRSA-N	0	0	449.485	2.410	50	5		IEBARN
Cc1csc(N2CCN(c3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])CC2)n1	ZINC000024659185	557122400	/nfs/dbraw/zinc/12/24/00/557122400.db2.gz	ZYZQCTRPQBHWTK-UHFFFAOYSA-N	0	0	437.547	2.471	50	5		IEBARN
Cc1c(C(=O)OCC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)cccc1[N+](=O)[O-]	ZINC000011398241	557139930	/nfs/dbraw/zinc/13/99/30/557139930.db2.gz	BFFWIAWMMUHDKA-MRXNPFEDSA-N	0	0	438.502	2.408	50	5		IEBARN
CCn1c(=N)c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c1nc1ccccn1c2=O	ZINC000101051007	557216852	/nfs/dbraw/zinc/21/68/52/557216852.db2.gz	VQJVJBYPOOAOBL-UHFFFAOYSA-N	0	0	447.495	2.138	50	5		IEBARN
CCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c1nc1c(C)cccn1c2=O	ZINC000101095486	557254383	/nfs/dbraw/zinc/25/43/83/557254383.db2.gz	AGTQHSRRAHAFOQ-UHFFFAOYSA-N	0	0	431.452	2.116	50	5		IEBARN
O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000101189216	557263066	/nfs/dbraw/zinc/26/30/66/557263066.db2.gz	GJLVQDBLKIAINU-RQXXJAGISA-N	0	0	436.399	2.165	50	5		IEBARN
Cc1ccc(Cn2c(=N)c(C(=O)NC[C@H]3CCCO3)cc3c2nc2ccccn2c3=O)cc1	ZINC000100631383	557266912	/nfs/dbraw/zinc/26/69/12/557266912.db2.gz	BRLHDBQJAXKNDL-GOSISDBHSA-N	0	0	443.507	2.394	50	5		IEBARN
COCCn1c(=N)c(C(=O)NCc2ccc(F)cc2)cc2c1nc1c(C)cccn1c2=O	ZINC000101158619	557283807	/nfs/dbraw/zinc/28/38/07/557283807.db2.gz	VASHPDMZQNEEEA-UHFFFAOYSA-N	0	0	435.459	2.153	50	5		IEBARN
COC(=O)c1cc(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)cc([N+](=O)[O-])c1	ZINC000046880181	557513002	/nfs/dbraw/zinc/51/30/02/557513002.db2.gz	KOGCAOFZIXRFCM-UHFFFAOYSA-N	0	0	447.407	2.491	50	5		IEBARN
COCCn1c(=O)c2c(ncn2Cc2cccc([N+](=O)[O-])c2)n(-c2ccccc2C)c1=O	ZINC000034693888	557848776	/nfs/dbraw/zinc/84/87/76/557848776.db2.gz	ZFUVOPDEFYECJJ-UHFFFAOYSA-N	0	0	435.440	2.260	50	5		IEBARN
O=c1c2cnn(-c3ccc(F)cc3)c2ncn1C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000025060373	557860489	/nfs/dbraw/zinc/86/04/89/557860489.db2.gz	IVXLHLABTPZNNC-INIZCTEOSA-N	0	0	425.376	2.069	50	5		IEBARN
COc1cccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C3)c1	ZINC000003009139	562931567	/nfs/dbraw/zinc/93/15/67/562931567.db2.gz	ZYGCHFAVGGHEGW-UHFFFAOYSA-N	0	0	428.426	2.470	50	5		IEBARN
COC(=O)C(Cc1cnc(Cl)s1)(C(=O)OC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000008671190	562960839	/nfs/dbraw/zinc/96/08/39/562960839.db2.gz	BSTVLNDWJJYPOH-UHFFFAOYSA-N	0	0	429.794	2.439	50	5	aggregator	IEBARN
CC[C@H](C)N(C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1	ZINC000009352505	562969528	/nfs/dbraw/zinc/96/95/28/562969528.db2.gz	YKCJNIKIAAUQHL-ZFWWWQNUSA-N	0	0	444.531	2.044	50	5		IEBARN
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1	ZINC000009506819	562972424	/nfs/dbraw/zinc/97/24/24/562972424.db2.gz	UPCAWNYZCORUSO-LBPRGKRZSA-N	0	0	434.426	2.385	50	5		IEBARN
CSc1ccc(S(=O)(=O)NCC(=O)OCCOc2ccccc2)cc1[N+](=O)[O-]	ZINC000009550432	562973186	/nfs/dbraw/zinc/97/31/86/562973186.db2.gz	HXZWWTTVLFDGJE-UHFFFAOYSA-N	0	0	426.472	2.217	50	5		IEBARN
CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000013020458	562984205	/nfs/dbraw/zinc/98/42/05/562984205.db2.gz	LAZUHZMRYPXDDU-UHFFFAOYSA-N	0	0	434.334	2.304	50	5		IEBARN
COc1ccc(CCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1	ZINC000036321433	563092770	/nfs/dbraw/zinc/09/27/70/563092770.db2.gz	UWSQQWPDQDWMGD-UHFFFAOYSA-N	0	0	434.518	2.194	50	5		IEBARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccco1	ZINC000001117591	568659920	/nfs/dbraw/zinc/65/99/20/568659920.db2.gz	QZWGQHCPFMVGEQ-QMJOVRGKSA-N	0	0	439.449	2.300	50	5		IEBARN
O=C(N[C@@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1	ZINC000001232937	568758542	/nfs/dbraw/zinc/75/85/42/568758542.db2.gz	KDMNVQIUEKRGIU-LBPRGKRZSA-N	0	0	441.724	2.228	50	5		IEBARN
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c([N+](=O)[O-])c1	ZINC000006143192	568845177	/nfs/dbraw/zinc/84/51/77/568845177.db2.gz	CWCWDLMSZRLTQH-UHFFFAOYSA-N	0	0	435.458	2.267	50	5		IEBARN
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12	ZINC000015987422	568861707	/nfs/dbraw/zinc/86/17/07/568861707.db2.gz	MESZIFLUINCVJA-NMLBUPMWSA-N	0	0	449.419	2.292	50	5		IEBARN
O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000016001061	568862277	/nfs/dbraw/zinc/86/22/77/568862277.db2.gz	BCCDAKKSTLWCDS-FBAVSBLXSA-N	0	0	436.399	2.165	50	5		IEBARN
COc1ccc(OC)c2c1CN(CC(=O)N1CCCc3cc([N+](=O)[O-])ccc31)C[C@@H]2O	ZINC000026159206	568866425	/nfs/dbraw/zinc/86/64/25/568866425.db2.gz	PKGSJKFULOQARF-SFHVURJKSA-N	0	0	427.457	2.440	50	5		IEBARN
COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1	ZINC000016084193	568869943	/nfs/dbraw/zinc/86/99/43/568869943.db2.gz	CIOBWUHLVBNFNI-UHFFFAOYSA-N	0	0	435.502	2.427	50	5		IEBARN
O=C(Cc1ccccc1)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1	ZINC000016293645	568875510	/nfs/dbraw/zinc/87/55/10/568875510.db2.gz	YSSMROKJWIEYHR-UHFFFAOYSA-N	0	0	428.464	2.462	50	5		IEBARN
O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000138073788	568909216	/nfs/dbraw/zinc/90/92/16/568909216.db2.gz	GJLVQDBLKIAINU-KCXPTXFHSA-N	0	0	436.399	2.165	50	5		IEBARN
COCCS(=O)(=O)Cc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)c1	ZINC000089420222	568924349	/nfs/dbraw/zinc/92/43/49/568924349.db2.gz	NFMBQCXXNMACNE-UHFFFAOYSA-N	0	0	432.451	2.096	50	5		IEBARN
Cc1nc(N2CCN(C(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)CC2)sc1C	ZINC000089562548	568937487	/nfs/dbraw/zinc/93/74/87/568937487.db2.gz	WEXVTHRTGFUQBK-UHFFFAOYSA-N	0	0	431.518	2.467	50	5		IEBARN
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1	ZINC000002058849	568940913	/nfs/dbraw/zinc/94/09/13/568940913.db2.gz	PXWRDNPUUVLOCF-MJSCBBHESA-N	0	0	441.490	2.378	50	5		IEBARN
CC(C)CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)c3ccco3)C[C@@H]12	ZINC000169679384	568991055	/nfs/dbraw/zinc/99/10/55/568991055.db2.gz	AVQHRKPFTAKJFW-HKUYNNGSSA-N	0	0	426.473	2.463	50	5		IEBARN
O=C(c1ccc(Br)o1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000036892535	569138764	/nfs/dbraw/zinc/13/87/64/569138764.db2.gz	DHCYGSXOCNSFHL-UHFFFAOYSA-N	0	0	444.263	2.097	50	5		IEBARN
COc1cc(-c2nnc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc(OC)c1OC	ZINC000010060223	569152450	/nfs/dbraw/zinc/15/24/50/569152450.db2.gz	SCPQFMYBGLNYFX-PXNMLYILSA-N	0	0	440.437	2.300	50	5		IEBARN
CCOc1ccc(NC(=O)c2cc3c(nc4ccccn4c3=O)n(CCOC)c2=N)cc1	ZINC000100680493	569181682	/nfs/dbraw/zinc/18/16/82/569181682.db2.gz	KZLYBSQEKPFVJK-UHFFFAOYSA-N	0	0	433.468	2.426	50	5		IEBARN
COc1cc(N2C(=O)[C@H]3[C@@H]4C=CC=NN4[C@H](C(=O)C(C)(C)C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000199010618	569209600	/nfs/dbraw/zinc/20/96/00/569209600.db2.gz	LOVGPOBXAVPMQR-JUKXBJQTSA-N	0	0	440.456	2.241	50	5		IEBARN
COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1	ZINC000018201316	569287964	/nfs/dbraw/zinc/28/79/64/569287964.db2.gz	QRTAKQNYFHWFNM-KRWDZBQOSA-N	0	0	443.485	2.488	50	5		IEBARN
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1	ZINC000008927446	569292484	/nfs/dbraw/zinc/29/24/84/569292484.db2.gz	DPTMTJIXMPLWFF-CYBMUJFWSA-N	0	0	445.815	2.168	50	5		IEBARN
O=C(NCCCO)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)o1	ZINC000008934177	569292563	/nfs/dbraw/zinc/29/25/63/569292563.db2.gz	PEMACRVMUAAAJX-JLHYYAGUSA-N	0	0	438.234	2.220	50	5		IEBARN
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N(C[C@@H](O)c1ccc(F)cc1)C1CC1)OCCO2	ZINC000095461947	569370003	/nfs/dbraw/zinc/37/00/03/569370003.db2.gz	SLTBDBMJCZHZAP-MRXNPFEDSA-N	0	0	438.433	2.392	50	5		IEBARN
COc1cc2nc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[nH]c(=O)c2cc1OC	ZINC000095949731	569376711	/nfs/dbraw/zinc/37/67/11/569376711.db2.gz	YFWNCDUFRHPHCH-UHFFFAOYSA-N	0	0	425.445	2.171	50	5		IEBARN
COCCn1c(=O)c2c(ncn2Cc2ccc([N+](=O)[O-])cc2)n(-c2ccc(F)cc2)c1=O	ZINC000096281317	569389940	/nfs/dbraw/zinc/38/99/40/569389940.db2.gz	LYAWCPUKLXOWGB-UHFFFAOYSA-N	0	0	439.403	2.091	50	5		IEBARN
Cc1nc(C(C)C)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1ccc([N+](=O)[O-])cc1	ZINC000096316931	569393024	/nfs/dbraw/zinc/39/30/24/569393024.db2.gz	MNDINQCHNALVIJ-UHFFFAOYSA-N	0	0	433.534	2.489	50	5		IEBARN
COC(=O)CSc1nnc(CNC(=O)c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1	ZINC000002724052	569418043	/nfs/dbraw/zinc/41/80/43/569418043.db2.gz	CYWIQUIWUDCVGH-UHFFFAOYSA-N	0	0	441.469	2.430	50	5		IEBARN
Cc1nn(CCC(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1[N+](=O)[O-]	ZINC000002780924	569421023	/nfs/dbraw/zinc/42/10/23/569421023.db2.gz	XRCUREIFCXIXSF-SNVBAGLBSA-N	0	0	430.490	2.465	50	5		IEBARN
COc1ccc(C=C2NC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Cn1ccc([N+](=O)[O-])n1	ZINC000002792523	569421517	/nfs/dbraw/zinc/42/15/17/569421517.db2.gz	ZQSZUYFAAIEOIN-HEUOVEHFSA-N	0	0	443.485	2.496	50	5		IEBARN
Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1	ZINC000002795595	569421661	/nfs/dbraw/zinc/42/16/61/569421661.db2.gz	JWEWOJVGDVPCET-UHFFFAOYSA-N	0	0	427.421	2.300	50	5		IEBARN
COC(=O)c1cc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)ccc1Cl	ZINC000002856692	569423491	/nfs/dbraw/zinc/42/34/91/569423491.db2.gz	FYFJMLPJQALAEZ-UHFFFAOYSA-N	0	0	441.849	2.440	50	5		IEBARN
CCOC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000002871429	569423710	/nfs/dbraw/zinc/42/37/10/569423710.db2.gz	ZTBSXRKQIXLYFX-GWCFXTLKSA-N	0	0	447.469	2.164	50	5		IEBARN
COc1ccc([C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)N2CCOCC2)cc1	ZINC000029901162	569438564	/nfs/dbraw/zinc/43/85/64/569438564.db2.gz	DHPMDSJSFZTRIZ-GOSISDBHSA-N	0	0	429.429	2.135	50	5		IEBARN
C[C@@H](C(=O)NC1CC1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000029975150	569439906	/nfs/dbraw/zinc/43/99/06/569439906.db2.gz	YDLBNFIIZPZYQM-JTQLQIEISA-N	0	0	431.371	2.311	50	5		IEBARN
COc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1OC	ZINC000003105194	569440121	/nfs/dbraw/zinc/44/01/21/569440121.db2.gz	OHANITMGTCBLKL-UHFFFAOYSA-N	0	0	439.446	2.025	50	5		IEBARN
C[C@@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C(=O)c2ccccc2C1=O	ZINC000003301720	569445075	/nfs/dbraw/zinc/44/50/75/569445075.db2.gz	CNNHGPOPAYOUOR-JTQLQIEISA-N	0	0	431.788	2.415	50	5		IEBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O	ZINC000003343129	569446975	/nfs/dbraw/zinc/44/69/75/569446975.db2.gz	SFPKHDSZNAZPLO-OAQYLSRUSA-N	0	0	426.429	2.485	50	5		IEBARN
CC(C)c1ccccc1NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000003468264	569452014	/nfs/dbraw/zinc/45/20/14/569452014.db2.gz	KFWIDAAWQVWJHS-UHFFFAOYSA-N	0	0	425.397	2.496	50	5		IEBARN
C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	ZINC000003480313	569452287	/nfs/dbraw/zinc/45/22/87/569452287.db2.gz	VFAMJFLWNNEQIE-JTQLQIEISA-N	0	0	431.788	2.415	50	5		IEBARN
O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2C=CC=NN12)c1cccc([N+](=O)[O-])c1	ZINC000229627585	569461076	/nfs/dbraw/zinc/46/10/76/569461076.db2.gz	FPMAOYXQQZULIS-MANSERQUSA-N	0	0	434.383	2.331	50	5		IEBARN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCN(C(=O)C2CCCCC2)CC1	ZINC000032436909	569461719	/nfs/dbraw/zinc/46/17/19/569461719.db2.gz	COQRSFPTVAUJJZ-UHFFFAOYSA-N	0	0	425.507	2.453	50	5		IEBARN
O=C(OC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000068885893	569482455	/nfs/dbraw/zinc/48/24/55/569482455.db2.gz	BUEUZWAXSDFWOO-FQEVSTJZSA-N	0	0	441.484	2.489	50	5		IEBARN
CS(=O)(=O)c1ccc(NCCNC(=O)c2ccccc2-n2cccn2)c([N+](=O)[O-])c1	ZINC000040115001	569489168	/nfs/dbraw/zinc/48/91/68/569489168.db2.gz	GSIGKQBGFGMQRQ-UHFFFAOYSA-N	0	0	429.458	2.026	50	5		IEBARN
CC(C)NS(=O)(=O)c1ccc(N2CCC(c3nnc4n3CCC4)CC2)c([N+](=O)[O-])c1	ZINC000040149298	569492489	/nfs/dbraw/zinc/49/24/89/569492489.db2.gz	ADPUVCJTHXEFRP-UHFFFAOYSA-N	0	0	434.522	2.203	50	5		IEBARN
Cn1c2c(c(-c3cccc([N+](=O)[O-])c3)n3c2[C@@H](c2ccc(O)cc2)OCC3)c(=O)n(C)c1=O	ZINC000008994903	569495548	/nfs/dbraw/zinc/49/55/48/569495548.db2.gz	ZSRFPWJBBIACEQ-OAQYLSRUSA-N	0	0	448.435	2.439	50	5		IEBARN
Cn1c2c(c(-c3cccc([N+](=O)[O-])c3)n3c2[C@H](c2cccc(O)c2)OCC3)c(=O)n(C)c1=O	ZINC000009136043	569507083	/nfs/dbraw/zinc/50/70/83/569507083.db2.gz	QWZCUQXJQRHNAL-NRFANRHFSA-N	0	0	448.435	2.439	50	5		IEBARN
COc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1	ZINC000009190680	569510561	/nfs/dbraw/zinc/51/05/61/569510561.db2.gz	HUALIOQRHJEBRJ-UHFFFAOYSA-N	0	0	446.423	2.259	50	5		IEBARN
COc1ccc(C(=O)OCC(=O)COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000009373566	569527012	/nfs/dbraw/zinc/52/70/12/569527012.db2.gz	QTHBESYUOOPFTD-UHFFFAOYSA-N	0	0	448.340	2.103	50	5		IEBARN
CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1	ZINC000009380922	569527980	/nfs/dbraw/zinc/52/79/80/569527980.db2.gz	CBZFUNSPWDBXGS-QGZVFWFLSA-N	0	0	438.487	2.077	50	5		IEBARN
COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c([N+](=O)[O-])c1	ZINC000009580004	569548697	/nfs/dbraw/zinc/54/86/97/569548697.db2.gz	JZNYHLSKIICRLB-IBGZPJMESA-N	0	0	434.355	2.287	50	5		IEBARN
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000009592809	569550355	/nfs/dbraw/zinc/55/03/55/569550355.db2.gz	RSGSCJHTJLBEHX-ZDUSSCGKSA-N	0	0	435.458	2.338	50	5		IEBARN
C[C@H](OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccc(Cl)cn1	ZINC000009666384	569557742	/nfs/dbraw/zinc/55/77/42/569557742.db2.gz	UTFRQGDKFGVZEK-JTQLQIEISA-N	0	0	446.803	2.200	50	5		IEBARN
COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000009698574	569561275	/nfs/dbraw/zinc/56/12/75/569561275.db2.gz	SQZJOOBTFITOLP-UHFFFAOYSA-N	0	0	433.486	2.321	50	5		IEBARN
O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000009963654	569575806	/nfs/dbraw/zinc/57/58/06/569575806.db2.gz	LMSVQFPKRZYFLF-UHFFFAOYSA-N	0	0	425.401	2.160	50	5		IEBARN
O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)c2c1Nc1nnnn1[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000010296226	569580522	/nfs/dbraw/zinc/58/05/22/569580522.db2.gz	KZTJALPDYAPRQA-MRXNPFEDSA-N	0	0	433.344	2.347	50	5		IEBARN
O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)c2c1Nc1nnnn1[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000010296212	569580563	/nfs/dbraw/zinc/58/05/63/569580563.db2.gz	DVNRUDWPPIMDIU-MRXNPFEDSA-N	0	0	433.344	2.347	50	5		IEBARN
COc1ccc([C@H]2c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c(=O)c3Nc3nnnn32)cc1OC	ZINC000010296625	569580601	/nfs/dbraw/zinc/58/06/01/569580601.db2.gz	AZKBVSQEIOPQFI-SFHVURJKSA-N	0	0	448.399	2.456	50	5		IEBARN
O=c1[nH]nc(-c2cccc([N+](=O)[O-])c2)c2c1Nc1nnnn1[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000010296533	569580613	/nfs/dbraw/zinc/58/06/13/569580613.db2.gz	IGYUFKCIYCLSLC-INIZCTEOSA-N	0	0	433.344	2.347	50	5		IEBARN