smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1ccc(NC2CCN(CC3(O)CCCCC3)CC2)c([N+](=O)[O-])c1	ZINC000095443246	205458450	/nfs/dbraw/zinc/45/84/50/205458450.db2.gz	IMKADSZMALOYSH-UHFFFAOYSA-N	0	3	375.469	3.369	10	5		GGBEHN
C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1	ZINC000028920320	564365652	/nfs/dbraw/zinc/36/56/52/564365652.db2.gz	WZJHLWJNNWZLBQ-MLGOLLRUSA-N	0	3	395.253	3.448	10	5		GGBEHN
Cc1c(Br)cc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000125111612	564503623	/nfs/dbraw/zinc/50/36/23/564503623.db2.gz	WYGPYDAAAOZVOA-MFKMUULPSA-N	0	3	384.274	3.220	10	5		GGBEHN
CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1	ZINC000126037430	564535013	/nfs/dbraw/zinc/53/50/13/564535013.db2.gz	CMOJLOPJFRLPAC-ZIAGYGMSSA-N	0	3	396.285	3.365	10	5		GGBEHN
C[C@@H]([NH2+]C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1	ZINC000068913632	564829131	/nfs/dbraw/zinc/82/91/31/564829131.db2.gz	ZWMNOIHTPYKUQQ-GFCCVEGCSA-N	0	3	383.495	3.064	10	5		GGBEHN
COc1ccc([C@H](CNc2ncc(Br)cc2[N+](=O)[O-])N(C)C)cc1	ZINC000096566791	564902252	/nfs/dbraw/zinc/90/22/52/564902252.db2.gz	JCNDTRQBKLLGBN-HNNXBMFYSA-N	0	3	395.257	3.476	10	5		GGBEHN
CCN1CCC[C@@H](Nc2ccc(I)cc2[N+](=O)[O-])C1	ZINC000096482907	564902263	/nfs/dbraw/zinc/90/22/63/564902263.db2.gz	LCZUIRPMAUETLK-LLVKDONJSA-N	0	3	375.210	3.096	10	5		GGBEHN
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@H](N2CCCC2)C1	ZINC000153702906	565007108	/nfs/dbraw/zinc/00/71/08/565007108.db2.gz	OIAYPCPYCOGEQW-HNNXBMFYSA-N	0	3	396.285	3.448	10	5		GGBEHN
O=[N+]([O-])c1ccccc1OCCN[C@@H](CO)c1cccc(Br)c1	ZINC000183887322	565101082	/nfs/dbraw/zinc/10/10/82/565101082.db2.gz	JJVSCHDHKSFRIA-AWEZNQCLSA-N	0	3	381.226	3.059	10	5		GGBEHN
O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1csc([N+](=O)[O-])c1	ZINC000376970939	565462019	/nfs/dbraw/zinc/46/20/19/565462019.db2.gz	DECWCTJGUVSLFC-UHFFFAOYSA-N	0	3	377.388	3.191	10	5		GGBEHN
CCCN1CCCN(c2ccc(I)cc2[N+](=O)[O-])CC1	ZINC000301393508	565482995	/nfs/dbraw/zinc/48/29/95/565482995.db2.gz	JIHAHNZGBQNARV-UHFFFAOYSA-N	0	3	389.237	3.122	10	5		GGBEHN
Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1	ZINC000190554453	565541472	/nfs/dbraw/zinc/54/14/72/565541472.db2.gz	QVGHHULFWFLDNT-GFCCVEGCSA-N	0	3	380.495	3.015	10	5		GGBEHN
Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000190550824	565541761	/nfs/dbraw/zinc/54/17/61/565541761.db2.gz	RBZHNPWIDBWVMP-LBPRGKRZSA-N	0	3	380.495	3.015	10	5		GGBEHN
CN1CC[C@H]2CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])[C@@H]2C1	ZINC000408145840	565596730	/nfs/dbraw/zinc/59/67/30/565596730.db2.gz	LBCALODKAYKEDE-MEDUHNTESA-N	0	3	391.269	3.436	10	5		GGBEHN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1	ZINC000284401702	565852960	/nfs/dbraw/zinc/85/29/60/565852960.db2.gz	QQOVCCPNEDFGAP-ZYHUDNBSSA-N	0	3	384.274	3.220	10	5		GGBEHN
CN1CCC(Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CC1	ZINC000289981202	566151995	/nfs/dbraw/zinc/15/19/95/566151995.db2.gz	DHNHFPCTSDHAEX-UHFFFAOYSA-N	0	3	395.257	3.215	10	5		GGBEHN
Cc1c(NC(=O)N2CC[C@H](N3CCCC3)C2)cc(Br)cc1[N+](=O)[O-]	ZINC000366775080	566168563	/nfs/dbraw/zinc/16/85/63/566168563.db2.gz	RCSGEFSKZUPOLA-ZDUSSCGKSA-N	0	3	397.273	3.368	10	5		GGBEHN
O=[N+]([O-])c1ccccc1CN[C@]1(CO)CCc2cc(Br)ccc2C1	ZINC000599573644	566275595	/nfs/dbraw/zinc/27/55/95/566275595.db2.gz	SWJJXTUSXLIFDW-GOSISDBHSA-N	0	3	391.265	3.367	10	5		GGBEHN
O=C(NC[C@H]1CCN1C1CCCCC1)c1ccc([N+](=O)[O-])cc1Br	ZINC000600229549	566326513	/nfs/dbraw/zinc/32/65/13/566326513.db2.gz	VPDLHUOJEBHQDA-CQSZACIVSA-N	0	3	396.285	3.494	10	5		GGBEHN
O=C(NC[C@H]1CCN1C1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000600473130	566340026	/nfs/dbraw/zinc/34/00/26/566340026.db2.gz	RHNZONHOAQZUPN-CQSZACIVSA-N	0	3	382.258	3.104	10	5		GGBEHN
O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CCN1C1CCCC1	ZINC000600473196	566340286	/nfs/dbraw/zinc/34/02/86/566340286.db2.gz	ULPHWWLNBORKHC-OAHLLOKOSA-N	0	3	396.285	3.033	10	5		GGBEHN
Cc1c(Cl)cc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)cc1[N+](=O)[O-]	ZINC000462709885	566345699	/nfs/dbraw/zinc/34/56/99/566345699.db2.gz	DOKRRKDZZPNXEC-ZDUSSCGKSA-N	0	3	389.905	3.052	10	5		GGBEHN
Cc1c(NC(=O)N(C)C[C@@H]2CCCN2C)cc(Br)cc1[N+](=O)[O-]	ZINC000421114898	566346825	/nfs/dbraw/zinc/34/68/25/566346825.db2.gz	GTBCOGYYKKLHND-LBPRGKRZSA-N	0	3	385.262	3.224	10	5		GGBEHN
Cc1c(Br)c(Nc2cnn(C3CCN(C)CC3)c2)ncc1[N+](=O)[O-]	ZINC000601224840	566397225	/nfs/dbraw/zinc/39/72/25/566397225.db2.gz	BMLCZYVFUQJTEC-UHFFFAOYSA-N	0	3	395.261	3.268	10	5		GGBEHN
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1	ZINC000485451755	566498232	/nfs/dbraw/zinc/49/82/32/566498232.db2.gz	NAXVRNQBULHYPF-NHYWBVRUSA-N	0	3	397.273	3.448	10	5		GGBEHN
C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1(S(C)(=O)=O)CC1	ZINC000512884340	566566564	/nfs/dbraw/zinc/56/65/64/566566564.db2.gz	DFRHNOHFMUXZIF-LBPRGKRZSA-N	0	3	380.491	3.379	10	5		GGBEHN
C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1(S(C)(=O)=O)CC1	ZINC000512884338	566566639	/nfs/dbraw/zinc/56/66/39/566566639.db2.gz	DFRHNOHFMUXZIF-GFCCVEGCSA-N	0	3	380.491	3.379	10	5		GGBEHN
CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@@H]1C	ZINC000610134821	566810616	/nfs/dbraw/zinc/81/06/16/566810616.db2.gz	AUIBGBFZGMAUOR-WCQYABFASA-N	0	3	389.905	3.050	10	5		GGBEHN
CC1(C)CC[C@@H](CNCc2cc(I)cc([N+](=O)[O-])c2)O1	ZINC000589319798	567175591	/nfs/dbraw/zinc/17/55/91/567175591.db2.gz	NUJKXZOPDFABEW-ZDUSSCGKSA-N	0	3	390.221	3.247	10	5		GGBEHN
CN1CCC[C@]2(CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C2)C1	ZINC000455402006	567271161	/nfs/dbraw/zinc/27/11/61/567271161.db2.gz	NGTJEHMGKFUDLV-INIZCTEOSA-N	0	3	397.273	3.307	10	5		GGBEHN
Cc1c(NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc(Br)cc1[N+](=O)[O-]	ZINC000435330456	567356441	/nfs/dbraw/zinc/35/64/41/567356441.db2.gz	SWEYEVKAKMLVNC-BXKDBHETSA-N	0	3	385.262	3.270	10	5		GGBEHN
Cc1c(NC(=O)N(CCN(C)C)C(C)C)cc(Br)cc1[N+](=O)[O-]	ZINC000435332808	567358364	/nfs/dbraw/zinc/35/83/64/567358364.db2.gz	MNWFHFFUOBUGCB-UHFFFAOYSA-N	0	3	387.278	3.470	10	5		GGBEHN
C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCN1C	ZINC000501068615	567363108	/nfs/dbraw/zinc/36/31/08/567363108.db2.gz	GSNTXABDXFGXOW-ZWNOBZJWSA-N	0	3	385.262	3.304	10	5		GGBEHN
CN1CCC2(CCCN2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1	ZINC000501093432	567364308	/nfs/dbraw/zinc/36/43/08/567364308.db2.gz	JDLLZKJNGSXXIB-UHFFFAOYSA-N	0	3	397.273	3.449	10	5		GGBEHN
CS[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1N1CCCC1	ZINC000436342451	567420409	/nfs/dbraw/zinc/42/04/09/567420409.db2.gz	IFGKRBFXDWGMSY-CHWSQXEVSA-N	0	3	376.404	3.025	10	5		GGBEHN
C[C@H]1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CS1(=O)=O	ZINC000594978097	567530418	/nfs/dbraw/zinc/53/04/18/567530418.db2.gz	XTPRWPIPZHVRQN-JSGCOSHPSA-N	0	3	380.491	3.379	10	5		GGBEHN
C[C@@H]1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CS1(=O)=O	ZINC000594978098	567531384	/nfs/dbraw/zinc/53/13/84/567531384.db2.gz	XTPRWPIPZHVRQN-OCCSQVGLSA-N	0	3	380.491	3.379	10	5		GGBEHN
CCS(=O)(=O)C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1	ZINC000594994420	567533230	/nfs/dbraw/zinc/53/32/30/567533230.db2.gz	VKTNLKFHJHCKJX-UHFFFAOYSA-N	0	3	380.491	3.380	10	5		GGBEHN
CN(Cc1cc(I)cc([N+](=O)[O-])c1)CC1CCOCC1	ZINC000572169245	567618810	/nfs/dbraw/zinc/61/88/10/567618810.db2.gz	HHCCYXXMSKKESS-UHFFFAOYSA-N	0	3	390.221	3.058	10	5		GGBEHN
CCCN1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1	ZINC000596888745	567662166	/nfs/dbraw/zinc/66/21/66/567662166.db2.gz	QZFSLSWZEFUSHO-GFCCVEGCSA-N	0	3	385.262	3.272	10	5		GGBEHN
CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@H]1CCN(CC)C1	ZINC000598039708	567733925	/nfs/dbraw/zinc/73/39/25/567733925.db2.gz	MALCYWKMGVZUKM-LBPRGKRZSA-N	0	3	384.274	3.222	10	5		GGBEHN
CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1	ZINC000598038895	567734137	/nfs/dbraw/zinc/73/41/37/567734137.db2.gz	GQJNZTQKJDZHNF-ZDUSSCGKSA-N	0	3	384.274	3.222	10	5		GGBEHN
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000599001170	567802597	/nfs/dbraw/zinc/80/25/97/567802597.db2.gz	ZFQZCTCCPYXYMK-LFNDISMMSA-N	0	3	390.221	3.101	10	5		GGBEHN
C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000599001171	567802697	/nfs/dbraw/zinc/80/26/97/567802697.db2.gz	ZFQZCTCCPYXYMK-PUXPGTEJSA-N	0	3	390.221	3.101	10	5		GGBEHN
Cc1ccc(NC(=O)[C@@H](NCCCn2ccnc2)c2ccccc2)c([N+](=O)[O-])c1	ZINC000012629354	570692437	/nfs/dbraw/zinc/69/24/37/570692437.db2.gz	FJXYACKOJLQMNP-FQEVSTJZSA-N	0	3	393.447	3.459	10	5		GGBEHN
C[C@H]1CCCN(c2ccc(C(=O)NC3CCN(C4CC4)CC3)cc2[N+](=O)[O-])C1	ZINC000012510646	570824765	/nfs/dbraw/zinc/82/47/65/570824765.db2.gz	DMVOOXGHHWIZJY-HNNXBMFYSA-N	0	3	386.496	3.188	10	5		GGBEHN
COc1ccc(-c2ccc(CNC3(CO)Cc4ccccc4C3)o2)c([N+](=O)[O-])c1	ZINC000557800757	1126097359	/nfs/dbraw/zinc/09/73/59/1126097359.db2.gz	YKFFJXUERYLUJQ-UHFFFAOYSA-N	0	3	394.427	3.483	10	5		GGBEHN
C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000865771499	1126116085	/nfs/dbraw/zinc/11/60/85/1126116085.db2.gz	JEGOZYZMYUMNBH-IBGZPJMESA-N	0	3	392.839	3.198	10	5		GGBEHN
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000015906256	207068276	/nfs/dbraw/zinc/06/82/76/207068276.db2.gz	YLRZWWHPSAQKQT-FUHWJXTLSA-N	0	3	396.403	3.260	10	5		GGBEHN
CN(Cc1ccccc1N1CCCCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000025301853	207302989	/nfs/dbraw/zinc/30/29/89/207302989.db2.gz	XHNGEMPKEBVBHU-FQEVSTJZSA-N	0	3	399.491	3.457	10	5		GGBEHN
C[C@@H]1CCC[N@H+](CCCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000036393211	564416993	/nfs/dbraw/zinc/41/69/93/564416993.db2.gz	KBEAVDUKWIOJGQ-CYBMUJFWSA-N	0	3	389.905	3.039	10	5		GGBEHN
C[C@@H]1CCC[N@@H+](CCCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000036393211	564416996	/nfs/dbraw/zinc/41/69/96/564416996.db2.gz	KBEAVDUKWIOJGQ-CYBMUJFWSA-N	0	3	389.905	3.039	10	5		GGBEHN
Cc1c(NC(=O)N2CC[C@]3(CCN(C)C3)C2)cc(Br)cc1[N+](=O)[O-]	ZINC000297242586	565363309	/nfs/dbraw/zinc/36/33/09/565363309.db2.gz	WNXDHLRSQVEWNC-INIZCTEOSA-N	0	3	397.273	3.225	10	5		GGBEHN
O=[N+]([O-])c1ccc(Br)cc1N1CCCN(C2CCOCC2)CC1	ZINC000301664901	565503571	/nfs/dbraw/zinc/50/35/71/565503571.db2.gz	LBUNJKSPWITQSW-UHFFFAOYSA-N	0	3	384.274	3.048	10	5		GGBEHN
O=[N+]([O-])c1cnc(Nc2cnn(CCN3CCCCC3)c2)c(Br)c1	ZINC000301967416	565522347	/nfs/dbraw/zinc/52/23/47/565522347.db2.gz	ZKPXOJOSQPZELW-UHFFFAOYSA-N	0	3	395.261	3.178	10	5		GGBEHN
Cc1cc(NC2CCN(CCN(C)C)CC2)c(Br)cc1[N+](=O)[O-]	ZINC000302660952	565548467	/nfs/dbraw/zinc/54/84/67/565548467.db2.gz	IITGWOONDYNLLW-UHFFFAOYSA-N	0	3	385.306	3.104	10	5		GGBEHN
CN1CC[C@@H]2CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])[C@H]2C1	ZINC000408145839	565597285	/nfs/dbraw/zinc/59/72/85/565597285.db2.gz	LBCALODKAYKEDE-BZNIZROVSA-N	0	3	391.269	3.436	10	5		GGBEHN
Cc1c(NC(=O)N[C@@H](C)C2=CCN(C)CC2)cc(Br)cc1[N+](=O)[O-]	ZINC000280705393	565690343	/nfs/dbraw/zinc/69/03/43/565690343.db2.gz	IFKGDXCNIGLCDL-NSHDSACASA-N	0	3	397.273	3.438	10	5		GGBEHN
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCCC[C@H](N2CCCC2)C1	ZINC000175777559	565723820	/nfs/dbraw/zinc/72/38/20/565723820.db2.gz	IEQDDPAFSSSATO-AWEZNQCLSA-N	0	3	396.285	3.448	10	5		GGBEHN
CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1	ZINC000245503071	565992659	/nfs/dbraw/zinc/99/26/59/565992659.db2.gz	CMOJLOPJFRLPAC-KGLIPLIRSA-N	0	3	396.285	3.365	10	5		GGBEHN
Cc1c(Br)cc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000245529948	565994683	/nfs/dbraw/zinc/99/46/83/565994683.db2.gz	WYGPYDAAAOZVOA-GXFFZTMASA-N	0	3	384.274	3.220	10	5		GGBEHN
O=C(NC[C@H]1CCN1C1CCCCC1)c1c(Br)cccc1[N+](=O)[O-]	ZINC000600230583	566326223	/nfs/dbraw/zinc/32/62/23/566326223.db2.gz	VHXNMFJBQUATDC-CYBMUJFWSA-N	0	3	396.285	3.494	10	5		GGBEHN
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCCC1	ZINC000600472288	566340881	/nfs/dbraw/zinc/34/08/81/566340881.db2.gz	NVWSGMVWEQUKML-AWEZNQCLSA-N	0	3	383.901	3.473	10	5		GGBEHN
Cc1c(NC(=O)N(C)C[C@H]2CCCN2C)cc(Br)cc1[N+](=O)[O-]	ZINC000421114894	566346508	/nfs/dbraw/zinc/34/65/08/566346508.db2.gz	GTBCOGYYKKLHND-GFCCVEGCSA-N	0	3	385.262	3.224	10	5		GGBEHN
CC(C)N(Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCOC1	ZINC000462872402	566362222	/nfs/dbraw/zinc/36/22/22/566362222.db2.gz	FIAMFPMFHWITTP-CYBMUJFWSA-N	0	3	390.221	3.199	10	5		GGBEHN
C[C@@](CO)(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	ZINC000511568054	566473095	/nfs/dbraw/zinc/47/30/95/566473095.db2.gz	SDBZRAIWOSJDHQ-KRWDZBQOSA-N	0	3	379.254	3.397	10	5		GGBEHN
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1	ZINC000485451760	566497998	/nfs/dbraw/zinc/49/79/98/566497998.db2.gz	NAXVRNQBULHYPF-XHDPSFHLSA-N	0	3	397.273	3.448	10	5		GGBEHN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCN1CCCC[C@H]1C	ZINC000559517927	566554412	/nfs/dbraw/zinc/55/44/12/566554412.db2.gz	PHXHGZQOJXWBJI-LLVKDONJSA-N	0	3	384.274	3.270	10	5		GGBEHN
CSCCCCNCc1cc(I)cc([N+](=O)[O-])c1	ZINC000514760877	566668712	/nfs/dbraw/zinc/66/87/12/566668712.db2.gz	YHAPAFRACCRASE-UHFFFAOYSA-N	0	3	380.251	3.432	10	5		GGBEHN
CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@H]1C	ZINC000610134820	566810445	/nfs/dbraw/zinc/81/04/45/566810445.db2.gz	AUIBGBFZGMAUOR-DGCLKSJQSA-N	0	3	389.905	3.050	10	5		GGBEHN
CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@@H]1C	ZINC000610134819	566810846	/nfs/dbraw/zinc/81/08/46/566810846.db2.gz	AUIBGBFZGMAUOR-AAEUAGOBSA-N	0	3	389.905	3.050	10	5		GGBEHN
CO[C@](C)(CO)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000594508181	567481896	/nfs/dbraw/zinc/48/18/96/567481896.db2.gz	BOXHCIYXJRLXLN-INIZCTEOSA-N	0	3	399.241	3.104	10	5		GGBEHN
C[C@@H]1CC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CS1(=O)=O	ZINC000594974440	567530245	/nfs/dbraw/zinc/53/02/45/567530245.db2.gz	KTRGJEQAXLNKNE-OLZOCXBDSA-N	0	3	380.491	3.379	10	5		GGBEHN
C[C@@]1(CNCc2cc(I)cc([N+](=O)[O-])c2)CC1(F)F	ZINC000594978623	567530683	/nfs/dbraw/zinc/53/06/83/567530683.db2.gz	TUYJGZSUNYZOEK-NSHDSACASA-N	0	3	382.148	3.334	10	5		GGBEHN
C[C@]1(CNCc2cc(I)cc([N+](=O)[O-])c2)CC1(F)F	ZINC000594978622	567530698	/nfs/dbraw/zinc/53/06/98/567530698.db2.gz	TUYJGZSUNYZOEK-LLVKDONJSA-N	0	3	382.148	3.334	10	5		GGBEHN
C[C@@H]1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CS1(=O)=O	ZINC000594978099	567530950	/nfs/dbraw/zinc/53/09/50/567530950.db2.gz	XTPRWPIPZHVRQN-TZMCWYRMSA-N	0	3	380.491	3.379	10	5		GGBEHN
C[C@H]1CC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CS1(=O)=O	ZINC000594974441	567531435	/nfs/dbraw/zinc/53/14/35/567531435.db2.gz	KTRGJEQAXLNKNE-QWHCGFSZSA-N	0	3	380.491	3.379	10	5		GGBEHN
C[C@H]1CCC[C@H](CNCc2cc(I)cc([N+](=O)[O-])c2)O1	ZINC000594983641	567532306	/nfs/dbraw/zinc/53/23/06/567532306.db2.gz	HGWORLXPWRFNSX-IINYFYTJSA-N	0	3	390.221	3.247	10	5		GGBEHN
CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000595635781	567575379	/nfs/dbraw/zinc/57/53/79/567575379.db2.gz	WRSWFJYXWUESKM-NILFDRSVSA-N	0	3	387.274	3.013	10	5		GGBEHN
O=[N+]([O-])c1cccc(Br)c1N1CCC(N2CCCOCC2)CC1	ZINC000596269691	567620261	/nfs/dbraw/zinc/62/02/61/567620261.db2.gz	YMYDUWHWYLPOBX-UHFFFAOYSA-N	0	3	384.274	3.048	10	5		GGBEHN
CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@@H]1CCN(C)C1	ZINC000596889879	567662646	/nfs/dbraw/zinc/66/26/46/567662646.db2.gz	ZXRBLFFVEHABMW-GFCCVEGCSA-N	0	3	385.262	3.224	10	5		GGBEHN
CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1	ZINC000596900675	567663443	/nfs/dbraw/zinc/66/34/43/567663443.db2.gz	TUHYWHJKYPDNKV-ZDUSSCGKSA-N	0	3	385.262	3.305	10	5		GGBEHN
CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1	ZINC000598038894	567734486	/nfs/dbraw/zinc/73/44/86/567734486.db2.gz	GQJNZTQKJDZHNF-CYBMUJFWSA-N	0	3	384.274	3.222	10	5		GGBEHN
CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000573948677	567745794	/nfs/dbraw/zinc/74/57/94/567745794.db2.gz	GHLPTKXVEMWCRD-ZDUSSCGKSA-N	0	3	384.274	3.304	10	5		GGBEHN
CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000573948673	567745998	/nfs/dbraw/zinc/74/59/98/567745998.db2.gz	GHLPTKXVEMWCRD-CYBMUJFWSA-N	0	3	384.274	3.304	10	5		GGBEHN
CC1(C)SC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000554976882	567761238	/nfs/dbraw/zinc/76/12/38/567761238.db2.gz	YCSLJLYWYLXVGC-LLVKDONJSA-N	0	3	378.235	3.183	10	5		GGBEHN
CC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](CC)CN1CC(C)(C)O	ZINC000170613511	570871801	/nfs/dbraw/zinc/87/18/01/570871801.db2.gz	NBHREHWMXWYGLG-HZPDHXFCSA-N	0	3	378.473	3.072	10	5		GGBEHN
CC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](CC)CN1CC(C)(C)O	ZINC000170613512	570871865	/nfs/dbraw/zinc/87/18/65/570871865.db2.gz	NBHREHWMXWYGLG-CVEARBPZSA-N	0	3	378.473	3.072	10	5		GGBEHN
Cn1cc(CN2CC[C@@H](Oc3ccncc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000093865706	1410276499	/nfs/dbraw/zinc/27/64/99/1410276499.db2.gz	AFTMFGCQTCDTCD-LJQANCHMSA-N	0	3	379.420	3.044	10	5		GGBEHN
CC[C@@H]1CN(CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000230288679	1433372627	/nfs/dbraw/zinc/37/26/27/1433372627.db2.gz	NBHREHWMXWYGLG-JKSUJKDBSA-N	0	3	378.473	3.072	10	5		GGBEHN
COc1ccc(C[C@@](C)(CO)NCc2cc(Cl)ccc2[N+](=O)[O-])cc1OC	ZINC001473839606	1126199822	/nfs/dbraw/zinc/19/98/22/1126199822.db2.gz	FPIYMQRTIUKWQL-IBGZPJMESA-N	0	3	394.855	3.349	10	5		GGBEHN
CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1	ZINC000126037657	564535082	/nfs/dbraw/zinc/53/50/82/564535082.db2.gz	CMOJLOPJFRLPAC-UONOGXRCSA-N	0	3	396.285	3.365	10	5		GGBEHN
CCN1CCC[C@H](Nc2ccc(I)cc2[N+](=O)[O-])C1	ZINC000096482905	564902009	/nfs/dbraw/zinc/90/20/09/564902009.db2.gz	LCZUIRPMAUETLK-NSHDSACASA-N	0	3	375.210	3.096	10	5		GGBEHN
Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](O)COc1ccccc1Br	ZINC000183595644	565080480	/nfs/dbraw/zinc/08/04/80/565080480.db2.gz	DUTYGOOWBYDXSF-OAHLLOKOSA-N	0	3	395.253	3.195	10	5		GGBEHN
Cc1cc([N+](=O)[O-])ccc1CNC[C@H](O)COc1ccccc1Br	ZINC000183595628	565081018	/nfs/dbraw/zinc/08/10/18/565081018.db2.gz	DUTYGOOWBYDXSF-HNNXBMFYSA-N	0	3	395.253	3.195	10	5		GGBEHN
O=[N+]([O-])c1ccccc1OCCN[C@H](CO)c1cccc(Br)c1	ZINC000183887343	565100989	/nfs/dbraw/zinc/10/09/89/565100989.db2.gz	JJVSCHDHKSFRIA-CQSZACIVSA-N	0	3	381.226	3.059	10	5		GGBEHN
O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H](OCCN2CCCCC2)C1	ZINC000301739577	565507994	/nfs/dbraw/zinc/50/79/94/565507994.db2.gz	JTJQHPLEHZOJNF-HNNXBMFYSA-N	0	3	398.301	3.439	10	5		GGBEHN
Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1	ZINC000190554428	565541350	/nfs/dbraw/zinc/54/13/50/565541350.db2.gz	QVGHHULFWFLDNT-LBPRGKRZSA-N	0	3	380.495	3.015	10	5		GGBEHN
Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000190550847	565541398	/nfs/dbraw/zinc/54/13/98/565541398.db2.gz	RBZHNPWIDBWVMP-GFCCVEGCSA-N	0	3	380.495	3.015	10	5		GGBEHN
CCN1CCC(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1	ZINC000280652305	565687249	/nfs/dbraw/zinc/68/72/49/565687249.db2.gz	CGWMUCSGLAUBMG-UHFFFAOYSA-N	0	3	385.262	3.272	10	5		GGBEHN
Cc1c(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc(Br)cc1[N+](=O)[O-]	ZINC000280733986	565692727	/nfs/dbraw/zinc/69/27/27/565692727.db2.gz	KSSWJWDGMGOHEQ-CYBMUJFWSA-N	0	3	395.257	3.144	10	5		GGBEHN
Cc1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc(Br)cc1[N+](=O)[O-]	ZINC000280768180	565694577	/nfs/dbraw/zinc/69/45/77/565694577.db2.gz	OBDDUYNOSNHFRC-OLZOCXBDSA-N	0	3	397.273	3.366	10	5		GGBEHN
CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1N1CCCC1	ZINC000413225411	565840526	/nfs/dbraw/zinc/84/05/26/565840526.db2.gz	GQTTTYXVLJXHFF-QWHCGFSZSA-N	0	3	376.404	3.025	10	5		GGBEHN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1	ZINC000284401698	565852970	/nfs/dbraw/zinc/85/29/70/565852970.db2.gz	QQOVCCPNEDFGAP-PWSUYJOCSA-N	0	3	384.274	3.220	10	5		GGBEHN
CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1	ZINC000245503070	565992637	/nfs/dbraw/zinc/99/26/37/565992637.db2.gz	CMOJLOPJFRLPAC-KBPBESRZSA-N	0	3	396.285	3.365	10	5		GGBEHN
C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Br)c1	ZINC000182205909	566189193	/nfs/dbraw/zinc/18/91/93/566189193.db2.gz	SKEOOJDNTUHZLA-DOMZBBRYSA-N	0	3	395.253	3.448	10	5		GGBEHN
O=C(NC[C@@H]1CCN1C1CCCCC1)c1ccc([N+](=O)[O-])cc1Br	ZINC000600229547	566326590	/nfs/dbraw/zinc/32/65/90/566326590.db2.gz	VPDLHUOJEBHQDA-AWEZNQCLSA-N	0	3	396.285	3.494	10	5		GGBEHN
O=C(NC[C@@H]1CCN1C1CCCCC1)c1c(Br)cccc1[N+](=O)[O-]	ZINC000600230584	566327083	/nfs/dbraw/zinc/32/70/83/566327083.db2.gz	VHXNMFJBQUATDC-ZDUSSCGKSA-N	0	3	396.285	3.494	10	5		GGBEHN
O=C(NC[C@@H]1CCN1C1CCCC1)c1c(Br)cccc1[N+](=O)[O-]	ZINC000600470339	566340890	/nfs/dbraw/zinc/34/08/90/566340890.db2.gz	NBAZSQXCNXWROT-LBPRGKRZSA-N	0	3	382.258	3.104	10	5		GGBEHN
CS[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1	ZINC000446421733	566349543	/nfs/dbraw/zinc/34/95/43/566349543.db2.gz	YVWQYLGRPSGKIE-LSDHHAIUSA-N	0	3	383.901	3.208	10	5		GGBEHN
CS[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@H]1N1CCCC1	ZINC000446421732	566349642	/nfs/dbraw/zinc/34/96/42/566349642.db2.gz	YVWQYLGRPSGKIE-HUUCEWRRSA-N	0	3	383.901	3.208	10	5		GGBEHN
O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(C(F)(F)F)CCCC2)cc1	ZINC000600760517	566363609	/nfs/dbraw/zinc/36/36/09/566363609.db2.gz	VFAFMJZBTZFCOG-UHFFFAOYSA-N	0	3	380.388	3.081	10	5		GGBEHN
O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1csc(C(F)(F)F)c1	ZINC000600761346	566364034	/nfs/dbraw/zinc/36/40/34/566364034.db2.gz	YAJUVCOQXCQGTA-NSHDSACASA-N	0	3	376.356	3.205	10	5		GGBEHN
O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2csc(C(F)(F)F)c2)c1	ZINC000600760470	566364393	/nfs/dbraw/zinc/36/43/93/566364393.db2.gz	UNHMWUOPCFPZQU-LBPRGKRZSA-N	0	3	376.356	3.205	10	5		GGBEHN
CC[C@@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)CCO1	ZINC000421396257	566370433	/nfs/dbraw/zinc/37/04/33/566370433.db2.gz	ZBZJFIPSDMZZAD-GXTWGEPZSA-N	0	3	390.221	3.247	10	5		GGBEHN
CC[C@@H]1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CCO1	ZINC000421396260	566371333	/nfs/dbraw/zinc/37/13/33/566371333.db2.gz	ZBZJFIPSDMZZAD-TZMCWYRMSA-N	0	3	390.221	3.247	10	5		GGBEHN
C[C@](CO)(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	ZINC000511568055	566472914	/nfs/dbraw/zinc/47/29/14/566472914.db2.gz	SDBZRAIWOSJDHQ-QGZVFWFLSA-N	0	3	379.254	3.397	10	5		GGBEHN
Cc1c(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc(Br)cc1[N+](=O)[O-]	ZINC000425672982	566665612	/nfs/dbraw/zinc/66/56/12/566665612.db2.gz	MEWUZTKOMMEFNU-XHDPSFHLSA-N	0	3	397.273	3.224	10	5		GGBEHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000610064368	566802400	/nfs/dbraw/zinc/80/24/00/566802400.db2.gz	DAXMCFBWWOCRNH-TXEJJXNPSA-N	0	3	384.274	3.350	10	5		GGBEHN
CC(C)C[C@@H](CO)N(C)Cc1cc(I)cc([N+](=O)[O-])c1	ZINC000581853013	566808668	/nfs/dbraw/zinc/80/86/68/566808668.db2.gz	HIFHHSCOJYURAF-AWEZNQCLSA-N	0	3	392.237	3.038	10	5		GGBEHN
CO[C@H]1C[C@@H](CN2CCCC2)N(c2cc(C)c([N+](=O)[O-])cc2Br)C1	ZINC000588061414	567111392	/nfs/dbraw/zinc/11/13/92/567111392.db2.gz	QZZSBRMPXCCSAC-KBPBESRZSA-N	0	3	398.301	3.355	10	5		GGBEHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000431931855	567118385	/nfs/dbraw/zinc/11/83/85/567118385.db2.gz	TWIQIIKWXILBNA-VXGBXAGGSA-N	0	3	384.274	3.350	10	5		GGBEHN
CN1CCC[C@@]2(CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C2)C1	ZINC000455402007	567270666	/nfs/dbraw/zinc/27/06/66/567270666.db2.gz	NGTJEHMGKFUDLV-MRXNPFEDSA-N	0	3	397.273	3.307	10	5		GGBEHN
CS[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1	ZINC000476048660	567293317	/nfs/dbraw/zinc/29/33/17/567293317.db2.gz	FLPIMZBYEBAKRP-LSDHHAIUSA-N	0	3	386.315	3.373	10	5		GGBEHN
CCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCN(C)C1	ZINC000592258922	567326708	/nfs/dbraw/zinc/32/67/08/567326708.db2.gz	YCWWVUQYELQDNG-ZDUSSCGKSA-N	0	3	385.262	3.305	10	5		GGBEHN
Cc1c(NC(=O)N(C)CCN(C)C2CC2)cc(Br)cc1[N+](=O)[O-]	ZINC000435326021	567356351	/nfs/dbraw/zinc/35/63/51/567356351.db2.gz	BRGAFGYQIWOOHB-UHFFFAOYSA-N	0	3	385.262	3.224	10	5		GGBEHN
Cc1c(NC(=O)NCCN2CCCCC2)cc(Br)cc1[N+](=O)[O-]	ZINC000435328735	567356713	/nfs/dbraw/zinc/35/67/13/567356713.db2.gz	MPBGUCGTCTUYPW-UHFFFAOYSA-N	0	3	385.262	3.273	10	5		GGBEHN
CS[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1N1CCCC1	ZINC000436342452	567420318	/nfs/dbraw/zinc/42/03/18/567420318.db2.gz	IFGKRBFXDWGMSY-OLZOCXBDSA-N	0	3	376.404	3.025	10	5		GGBEHN
NC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C(F)(F)F	ZINC000594451362	567476206	/nfs/dbraw/zinc/47/62/06/567476206.db2.gz	SILDAZWUHQZZRG-CYBMUJFWSA-N	0	3	377.388	3.249	10	5		GGBEHN
C[C@H]1CC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CS1(=O)=O	ZINC000594974442	567531143	/nfs/dbraw/zinc/53/11/43/567531143.db2.gz	KTRGJEQAXLNKNE-STQMWFEESA-N	0	3	380.491	3.379	10	5		GGBEHN
Cc1c(Br)cc(C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-]	ZINC000597859834	567719636	/nfs/dbraw/zinc/71/96/36/567719636.db2.gz	YVMODJMGWJOXQS-LBPRGKRZSA-N	0	3	384.274	3.268	10	5		GGBEHN
Cc1c(Br)cc(C(=O)NC[C@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-]	ZINC000597859833	567719801	/nfs/dbraw/zinc/71/98/01/567719801.db2.gz	YVMODJMGWJOXQS-GFCCVEGCSA-N	0	3	384.274	3.268	10	5		GGBEHN
CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@@H]1CCN(CC)C1	ZINC000598039705	567734041	/nfs/dbraw/zinc/73/40/41/567734041.db2.gz	MALCYWKMGVZUKM-GFCCVEGCSA-N	0	3	384.274	3.222	10	5		GGBEHN
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000599001172	567802585	/nfs/dbraw/zinc/80/25/85/567802585.db2.gz	ZFQZCTCCPYXYMK-QOBXEIRBSA-N	0	3	390.221	3.101	10	5		GGBEHN
C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000599001173	567803095	/nfs/dbraw/zinc/80/30/95/567803095.db2.gz	ZFQZCTCCPYXYMK-RZGXBDKHSA-N	0	3	390.221	3.101	10	5		GGBEHN
CC[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F	ZINC000004917624	570365359	/nfs/dbraw/zinc/36/53/59/570365359.db2.gz	FWQLOCSZKKZXSM-GFCCVEGCSA-N	0	3	388.399	3.313	10	5		GGBEHN
C[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1	ZINC000180607771	1429930243	/nfs/dbraw/zinc/93/02/43/1429930243.db2.gz	FIUAPVCNGFOMBO-KXBFYZLASA-N	0	3	380.452	3.275	10	5		GGBEHN
COc1ccc(C[C@](C)(CO)NCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC	ZINC001176598232	1126150368	/nfs/dbraw/zinc/15/03/68/1126150368.db2.gz	KYKSLQGGLCDHEO-LJQANCHMSA-N	0	3	394.855	3.349	10	5		GGBEHN
CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1c2ccccc2C[C@@H]1N1CCCC1	ZINC000000607401	212164146	/nfs/dbraw/zinc/16/41/46/212164146.db2.gz	ZSDAQBWGAOKTSI-UNMCSNQZSA-N	0	3	379.460	3.358	10	5	in-man	GGBEHN
Cc1ccc(NC(=O)[C@H](NCCCn2ccnc2)c2ccccc2)c([N+](=O)[O-])c1	ZINC000012629357	221215353	/nfs/dbraw/zinc/21/53/53/221215353.db2.gz	FJXYACKOJLQMNP-HXUWFJFHSA-N	0	3	393.447	3.459	10	5		GGBEHN
C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1	ZINC000028920321	564366180	/nfs/dbraw/zinc/36/61/80/564366180.db2.gz	WZJHLWJNNWZLBQ-BLLLJJGKSA-N	0	3	395.253	3.448	10	5		GGBEHN
C[C@H]([NH2+]C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1	ZINC000068913628	564829511	/nfs/dbraw/zinc/82/95/11/564829511.db2.gz	ZWMNOIHTPYKUQQ-LBPRGKRZSA-N	0	3	383.495	3.064	10	5		GGBEHN
C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCN1C	ZINC000155151798	565062918	/nfs/dbraw/zinc/06/29/18/565062918.db2.gz	JNICKONXEOWOJQ-CMPLNLGQSA-N	0	3	385.262	3.304	10	5		GGBEHN
C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCN1C	ZINC000155151696	565062994	/nfs/dbraw/zinc/06/29/94/565062994.db2.gz	JNICKONXEOWOJQ-ZYHUDNBSSA-N	0	3	385.262	3.304	10	5		GGBEHN
O=[N+]([O-])c1ccc(OCCN[C@@H](CO)c2cccc(Br)c2)cc1	ZINC000183880324	565099925	/nfs/dbraw/zinc/09/99/25/565099925.db2.gz	ROCMYBWBPPUOIJ-INIZCTEOSA-N	0	3	381.226	3.059	10	5		GGBEHN
O=[N+]([O-])c1ccc(OCCN[C@H](CO)c2cccc(Br)c2)cc1	ZINC000183880312	565099977	/nfs/dbraw/zinc/09/99/77/565099977.db2.gz	ROCMYBWBPPUOIJ-MRXNPFEDSA-N	0	3	381.226	3.059	10	5		GGBEHN
C[C@H](CN1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000185434090	565201527	/nfs/dbraw/zinc/20/15/27/565201527.db2.gz	XNZJJBHSIDKUAS-GFCCVEGCSA-N	0	3	384.274	3.352	10	5		GGBEHN
Cc1c(NC(=O)N2CC[C@@]3(CCN(C)C3)C2)cc(Br)cc1[N+](=O)[O-]	ZINC000297242587	565362911	/nfs/dbraw/zinc/36/29/11/565362911.db2.gz	WNXDHLRSQVEWNC-MRXNPFEDSA-N	0	3	397.273	3.225	10	5		GGBEHN
O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1	ZINC000375520500	565393155	/nfs/dbraw/zinc/39/31/55/565393155.db2.gz	APXBLGMXTMKANI-CYBMUJFWSA-N	0	3	383.246	3.059	10	5		GGBEHN
CCN1CC[C@@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)C1	ZINC000278022480	565534507	/nfs/dbraw/zinc/53/45/07/565534507.db2.gz	QCZDRORORZDXAN-VHSXEESVSA-N	0	3	390.303	3.221	10	5		GGBEHN
CCN1CC[C@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)C1	ZINC000278022472	565534537	/nfs/dbraw/zinc/53/45/37/565534537.db2.gz	QCZDRORORZDXAN-UWVGGRQHSA-N	0	3	390.303	3.221	10	5		GGBEHN
O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCN2CCC[C@@H]2C1	ZINC000408123927	565595445	/nfs/dbraw/zinc/59/54/45/565595445.db2.gz	KZNLBMVQIRBDHY-GFCCVEGCSA-N	0	3	377.242	3.190	10	5		GGBEHN
CN1CC[C@H]2CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])[C@H]2C1	ZINC000408145841	565596652	/nfs/dbraw/zinc/59/66/52/565596652.db2.gz	LBCALODKAYKEDE-ZBEGNZNMSA-N	0	3	391.269	3.436	10	5		GGBEHN
Cc1c(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc(Br)cc1[N+](=O)[O-]	ZINC000366775079	566168616	/nfs/dbraw/zinc/16/86/16/566168616.db2.gz	RCSGEFSKZUPOLA-CYBMUJFWSA-N	0	3	397.273	3.368	10	5		GGBEHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-]	ZINC000599384139	566260320	/nfs/dbraw/zinc/26/03/20/566260320.db2.gz	IQDJCXOFMRYKLI-VXGBXAGGSA-N	0	3	384.274	3.350	10	5		GGBEHN
O=[N+]([O-])c1ccccc1CN[C@@]1(CO)CCc2cc(Br)ccc2C1	ZINC000599573646	566275376	/nfs/dbraw/zinc/27/53/76/566275376.db2.gz	SWJJXTUSXLIFDW-SFHVURJKSA-N	0	3	391.265	3.367	10	5		GGBEHN
Cc1c(Br)cc(C(=O)NCCN2CCCC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000509638145	566322492	/nfs/dbraw/zinc/32/24/92/566322492.db2.gz	IRZCDJWLEFHPNK-NSHDSACASA-N	0	3	384.274	3.270	10	5		GGBEHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000446049740	566325509	/nfs/dbraw/zinc/32/55/09/566325509.db2.gz	CHHCLTGQDRXKOE-STQMWFEESA-N	0	3	398.301	3.279	10	5		GGBEHN
O=C(NC[C@H]1CCN1C1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000600230128	566326397	/nfs/dbraw/zinc/32/63/97/566326397.db2.gz	ZWTVXZATDYDYDZ-CQSZACIVSA-N	0	3	396.285	3.494	10	5		GGBEHN
O=C(NC[C@@H]1CCN1C1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000600473129	566339775	/nfs/dbraw/zinc/33/97/75/566339775.db2.gz	RHNZONHOAQZUPN-AWEZNQCLSA-N	0	3	382.258	3.104	10	5		GGBEHN
O=C(NC[C@H]1CCN1C1CCCC1)c1c(Br)cccc1[N+](=O)[O-]	ZINC000600470336	566340366	/nfs/dbraw/zinc/34/03/66/566340366.db2.gz	NBAZSQXCNXWROT-GFCCVEGCSA-N	0	3	382.258	3.104	10	5		GGBEHN
CS[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@H]1N1CCCC1	ZINC000446421730	566349370	/nfs/dbraw/zinc/34/93/70/566349370.db2.gz	YVWQYLGRPSGKIE-CABCVRRESA-N	0	3	383.901	3.208	10	5		GGBEHN
CC(C)N(Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCOC1	ZINC000462872405	566362273	/nfs/dbraw/zinc/36/22/73/566362273.db2.gz	FIAMFPMFHWITTP-ZDUSSCGKSA-N	0	3	390.221	3.199	10	5		GGBEHN
O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2csc(C(F)(F)F)c2)c1	ZINC000600760468	566363914	/nfs/dbraw/zinc/36/39/14/566363914.db2.gz	UNHMWUOPCFPZQU-GFCCVEGCSA-N	0	3	376.356	3.205	10	5		GGBEHN
C[C@@](CO)(NCCOc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	ZINC000511608028	566474860	/nfs/dbraw/zinc/47/48/60/566474860.db2.gz	ZJROAYRWPOPQIU-KRWDZBQOSA-N	0	3	395.253	3.233	10	5		GGBEHN
C[C@@](CO)(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	ZINC000511608153	566475633	/nfs/dbraw/zinc/47/56/33/566475633.db2.gz	ZTAVCAPPTOYKFV-KRWDZBQOSA-N	0	3	395.253	3.233	10	5		GGBEHN
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1	ZINC000485451750	566498063	/nfs/dbraw/zinc/49/80/63/566498063.db2.gz	NAXVRNQBULHYPF-IAQYHMDHSA-N	0	3	397.273	3.448	10	5		GGBEHN
C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1(S(C)(=O)=O)CC1	ZINC000512894568	566567285	/nfs/dbraw/zinc/56/72/85/566567285.db2.gz	KWCJDKGZMZGUHV-LBPRGKRZSA-N	0	3	380.491	3.379	10	5		GGBEHN
C[C@@H](N[C@@H](C)Cn1cc(Br)ccc1=O)c1cccc([N+](=O)[O-])c1	ZINC000559916967	566576946	/nfs/dbraw/zinc/57/69/46/566576946.db2.gz	OFNZYWDPPAINRN-NWDGAFQWSA-N	0	3	380.242	3.258	10	5		GGBEHN
CC(C)C[C@H](CO)N(C)Cc1cc(I)cc([N+](=O)[O-])c1	ZINC000581853014	566809006	/nfs/dbraw/zinc/80/90/06/566809006.db2.gz	HIFHHSCOJYURAF-CQSZACIVSA-N	0	3	392.237	3.038	10	5		GGBEHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000431033699	567048400	/nfs/dbraw/zinc/04/84/00/567048400.db2.gz	RDUWJKBWWBOFAM-RYUDHWBXSA-N	0	3	384.274	3.350	10	5		GGBEHN
O=[N+]([O-])c1ccc(-c2ccc(CNCCC3CS(=O)(=O)C3)o2)c(Cl)c1	ZINC000615728218	567201270	/nfs/dbraw/zinc/20/12/70/567201270.db2.gz	ZTIZJQLNFBHFBF-UHFFFAOYSA-N	0	3	384.841	3.033	10	5		GGBEHN
Cc1c(NC(=O)N(C)CCN2CCCC2)cc(Br)cc1[N+](=O)[O-]	ZINC000435328802	567356329	/nfs/dbraw/zinc/35/63/29/567356329.db2.gz	MZRDSFRSRALRPC-UHFFFAOYSA-N	0	3	385.262	3.225	10	5		GGBEHN
Cc1c(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)cc(Br)cc1[N+](=O)[O-]	ZINC000435330459	567356486	/nfs/dbraw/zinc/35/64/86/567356486.db2.gz	SWEYEVKAKMLVNC-SKDRFNHKSA-N	0	3	385.262	3.270	10	5		GGBEHN
C[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1=CCN(C)CC1	ZINC000501121926	567367650	/nfs/dbraw/zinc/36/76/50/567367650.db2.gz	ZKEPURQTPIWYRI-SNVBAGLBSA-N	0	3	383.246	3.129	10	5		GGBEHN
CN(CCN1CCCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1	ZINC000593204933	567396615	/nfs/dbraw/zinc/39/66/15/567396615.db2.gz	PMMDOXDTMWDUJX-UHFFFAOYSA-N	0	3	385.262	3.307	10	5		GGBEHN
CS[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1N1CCCC1	ZINC000436342453	567420237	/nfs/dbraw/zinc/42/02/37/567420237.db2.gz	IFGKRBFXDWGMSY-QWHCGFSZSA-N	0	3	376.404	3.025	10	5		GGBEHN
C[C@@H]1CCC[C@@H](CNCc2cc(I)cc([N+](=O)[O-])c2)O1	ZINC000594983643	567532626	/nfs/dbraw/zinc/53/26/26/567532626.db2.gz	HGWORLXPWRFNSX-YGRLFVJLSA-N	0	3	390.221	3.247	10	5		GGBEHN
CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1	ZINC000596900674	567663698	/nfs/dbraw/zinc/66/36/98/567663698.db2.gz	TUHYWHJKYPDNKV-CYBMUJFWSA-N	0	3	385.262	3.305	10	5		GGBEHN
O=[N+]([O-])c1cc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)cs1	ZINC000598994218	567801736	/nfs/dbraw/zinc/80/17/36/567801736.db2.gz	ZDECDKOUGCBXOT-MRXNPFEDSA-N	0	3	397.294	3.428	10	5		GGBEHN
O=[N+]([O-])c1cc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)cs1	ZINC000598994217	567802126	/nfs/dbraw/zinc/80/21/26/567802126.db2.gz	ZDECDKOUGCBXOT-INIZCTEOSA-N	0	3	397.294	3.428	10	5		GGBEHN
CN(C)[C@@H]1Cc2ccccc2N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1	ZINC000132809748	1416817808	/nfs/dbraw/zinc/81/78/08/1416817808.db2.gz	ATOQGURLULTKKM-QGZVFWFLSA-N	0	3	378.432	3.138	10	5		GGBEHN
CC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](CC)CN1CC(C)(C)O	ZINC000230288674	1433372660	/nfs/dbraw/zinc/37/26/60/1433372660.db2.gz	NBHREHWMXWYGLG-HOTGVXAUSA-N	0	3	378.473	3.072	10	5		GGBEHN
O=[N+]([O-])c1ccc(Cc2noc(C3CCN(Cc4ccccc4)CC3)n2)nc1	ZINC000273857813	1435022257	/nfs/dbraw/zinc/02/22/57/1435022257.db2.gz	GRALNBFXMYQBNO-UHFFFAOYSA-N	0	3	379.420	3.343	10	5		GGBEHN
COc1ccc(C[C@@](C)(CO)NCc2ccc(Cl)cc2[N+](=O)[O-])cc1OC	ZINC001176598231	1126150287	/nfs/dbraw/zinc/15/02/87/1126150287.db2.gz	KYKSLQGGLCDHEO-IBGZPJMESA-N	0	3	394.855	3.349	10	5		GGBEHN
C[C@@](CO)(Cc1ccc(Br)cc1)NCc1ccccc1[N+](=O)[O-]	ZINC001460872240	1126193219	/nfs/dbraw/zinc/19/32/19/1126193219.db2.gz	UVSKRRYVRXVRAH-KRWDZBQOSA-N	0	3	379.254	3.441	10	5		GGBEHN
COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@](C)(CO)Cc2ccc(Cl)cc2)c1	ZINC001473840353	1126200887	/nfs/dbraw/zinc/20/08/87/1126200887.db2.gz	WACQGPCZLFMTTO-LJQANCHMSA-N	0	3	392.839	3.118	10	5		GGBEHN
COc1ccccc1C[C@](C)(CO)NCc1cc([N+](=O)[O-])ccc1OC(C)C	ZINC001644308730	1126247224	/nfs/dbraw/zinc/24/72/24/1126247224.db2.gz	NDMKVXVGOZKHHG-OAQYLSRUSA-N	0	3	388.464	3.474	10	5		GGBEHN
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005524665	204137731	/nfs/dbraw/zinc/13/77/31/204137731.db2.gz	YLRZWWHPSAQKQT-AEFFLSMTSA-N	0	3	396.403	3.260	10	5		GGBEHN
C[C@H]1CCC[N@H+](CCCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000036393212	205016489	/nfs/dbraw/zinc/01/64/89/205016489.db2.gz	KBEAVDUKWIOJGQ-ZDUSSCGKSA-N	0	3	389.905	3.039	10	5		GGBEHN
C[C@H]1CCC[N@@H+](CCCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000036393212	205016496	/nfs/dbraw/zinc/01/64/96/205016496.db2.gz	KBEAVDUKWIOJGQ-ZDUSSCGKSA-N	0	3	389.905	3.039	10	5		GGBEHN
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@@H](N2CCCC2)C1	ZINC000153702998	565007501	/nfs/dbraw/zinc/00/75/01/565007501.db2.gz	OIAYPCPYCOGEQW-OAHLLOKOSA-N	0	3	396.285	3.448	10	5		GGBEHN
O=[N+]([O-])c1cccc(OCCN[C@@H](CO)c2cccc(Br)c2)c1	ZINC000183887036	565101068	/nfs/dbraw/zinc/10/10/68/565101068.db2.gz	ZTZGZNAMYMAMKS-INIZCTEOSA-N	0	3	381.226	3.059	10	5		GGBEHN
C[C@@H](CN1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000185434067	565201392	/nfs/dbraw/zinc/20/13/92/565201392.db2.gz	XNZJJBHSIDKUAS-LBPRGKRZSA-N	0	3	384.274	3.352	10	5		GGBEHN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c1	ZINC000272557989	565290195	/nfs/dbraw/zinc/29/01/95/565290195.db2.gz	VEHRLERYMQJLGY-UHFFFAOYSA-N	0	3	389.905	3.050	10	5		GGBEHN
Cc1c(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc(Br)cc1[N+](=O)[O-]	ZINC000280733987	565692109	/nfs/dbraw/zinc/69/21/09/565692109.db2.gz	KSSWJWDGMGOHEQ-ZDUSSCGKSA-N	0	3	395.257	3.144	10	5		GGBEHN
CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1N1CCCC1	ZINC000413225408	565840879	/nfs/dbraw/zinc/84/08/79/565840879.db2.gz	GQTTTYXVLJXHFF-OLZOCXBDSA-N	0	3	376.404	3.025	10	5		GGBEHN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCCC1	ZINC000600467638	566340528	/nfs/dbraw/zinc/34/05/28/566340528.db2.gz	ATRMXJFXYDZZBB-ZDUSSCGKSA-N	0	3	396.285	3.412	10	5		GGBEHN
CN(CCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccncc1	ZINC000576419565	566343604	/nfs/dbraw/zinc/34/36/04/566343604.db2.gz	PJUBTPDXSQUXRD-UHFFFAOYSA-N	0	3	379.214	3.217	10	5		GGBEHN
O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1csc(C(F)(F)F)c1	ZINC000600761345	566363685	/nfs/dbraw/zinc/36/36/85/566363685.db2.gz	YAJUVCOQXCQGTA-LLVKDONJSA-N	0	3	376.356	3.205	10	5		GGBEHN
CC[C@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)CCO1	ZINC000421396258	566370754	/nfs/dbraw/zinc/37/07/54/566370754.db2.gz	ZBZJFIPSDMZZAD-JSGCOSHPSA-N	0	3	390.221	3.247	10	5		GGBEHN
CC[C@H]1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CCO1	ZINC000421396259	566371821	/nfs/dbraw/zinc/37/18/21/566371821.db2.gz	ZBZJFIPSDMZZAD-OCCSQVGLSA-N	0	3	390.221	3.247	10	5		GGBEHN
C[C@H](Cn1cc(Br)ccc1=O)N[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000559916969	566576808	/nfs/dbraw/zinc/57/68/08/566576808.db2.gz	OFNZYWDPPAINRN-VXGBXAGGSA-N	0	3	380.242	3.258	10	5		GGBEHN
CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@H]1C	ZINC000610134823	566810720	/nfs/dbraw/zinc/81/07/20/566810720.db2.gz	AUIBGBFZGMAUOR-YPMHNXCESA-N	0	3	389.905	3.050	10	5		GGBEHN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)C)CN(C)C	ZINC000583644869	566969845	/nfs/dbraw/zinc/96/98/45/566969845.db2.gz	XPAYOCIHCLICOX-LBPRGKRZSA-N	0	3	386.290	3.372	10	5		GGBEHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000431033701	567048778	/nfs/dbraw/zinc/04/87/78/567048778.db2.gz	RDUWJKBWWBOFAM-VXGBXAGGSA-N	0	3	384.274	3.350	10	5		GGBEHN
Cc1c(NC(=O)C2CCN(C3CC3)CC2)cc(Br)cc1[N+](=O)[O-]	ZINC000431259491	567070420	/nfs/dbraw/zinc/07/04/20/567070420.db2.gz	PAIHYQOSLOUUOU-UHFFFAOYSA-N	0	3	382.258	3.479	10	5		GGBEHN
Cn1c(=O)sc2cc(CNCCc3ccc(Cl)cc3[N+](=O)[O-])ccc21	ZINC000525991709	567282270	/nfs/dbraw/zinc/28/22/70/567282270.db2.gz	HUZRHETUPVHQHM-UHFFFAOYSA-N	0	3	377.853	3.494	10	5		GGBEHN
CS[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1N1CCCC1	ZINC000476048654	567292854	/nfs/dbraw/zinc/29/28/54/567292854.db2.gz	FLPIMZBYEBAKRP-CABCVRRESA-N	0	3	386.315	3.373	10	5		GGBEHN
Cc1c(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-]	ZINC000435330457	567356154	/nfs/dbraw/zinc/35/61/54/567356154.db2.gz	SWEYEVKAKMLVNC-CABZTGNLSA-N	0	3	385.262	3.270	10	5		GGBEHN
Cc1c(NC(=O)N(C)C[C@H]2CCCN(C)C2)cc(Br)cc1[N+](=O)[O-]	ZINC000435325824	567356225	/nfs/dbraw/zinc/35/62/25/567356225.db2.gz	CMCJTAMXXOAFJT-LBPRGKRZSA-N	0	3	399.289	3.471	10	5		GGBEHN
C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCN1C	ZINC000501068614	567362271	/nfs/dbraw/zinc/36/22/71/567362271.db2.gz	GSNTXABDXFGXOW-MFKMUULPSA-N	0	3	385.262	3.304	10	5		GGBEHN
O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1	ZINC000501107997	567366266	/nfs/dbraw/zinc/36/62/66/567366266.db2.gz	OJQLRQKEOOLOOI-AWEZNQCLSA-N	0	3	397.273	3.449	10	5		GGBEHN
Cc1c(NC(=O)NC[C@H]2CCCN(C)C2)cc(Br)cc1[N+](=O)[O-]	ZINC000619541006	567463552	/nfs/dbraw/zinc/46/35/52/567463552.db2.gz	XWHFGLDUBNXHME-LLVKDONJSA-N	0	3	385.262	3.129	10	5		GGBEHN
Cc1c(NC(=O)NC[C@@H]2CCCN(C)C2)cc(Br)cc1[N+](=O)[O-]	ZINC000619541010	567463984	/nfs/dbraw/zinc/46/39/84/567463984.db2.gz	XWHFGLDUBNXHME-NSHDSACASA-N	0	3	385.262	3.129	10	5		GGBEHN
CO[C@@](C)(CO)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000594508183	567481820	/nfs/dbraw/zinc/48/18/20/567481820.db2.gz	BOXHCIYXJRLXLN-MRXNPFEDSA-N	0	3	399.241	3.104	10	5		GGBEHN
C[C@@H](CNCc1cc(I)cc([N+](=O)[O-])c1)c1ccccn1	ZINC000594955213	567529037	/nfs/dbraw/zinc/52/90/37/567529037.db2.gz	PVSBAXHTAAHBOY-NSHDSACASA-N	0	3	397.216	3.488	10	5		GGBEHN
CC(C)(C)OCCNCc1cc(I)cc([N+](=O)[O-])c1	ZINC000571128581	567539242	/nfs/dbraw/zinc/53/92/42/567539242.db2.gz	ZZOSVBSEJDXNQB-UHFFFAOYSA-N	0	3	378.210	3.104	10	5		GGBEHN
Cc1c(NC(=O)NC2(CN(C)C)CCC2)cc(Br)cc1[N+](=O)[O-]	ZINC000439401935	567583833	/nfs/dbraw/zinc/58/38/33/567583833.db2.gz	FNHKLLPJBWUSGB-UHFFFAOYSA-N	0	3	385.262	3.272	10	5		GGBEHN
Cc1cc(N2CCC(N3CCCOCC3)CC2)c(Br)cc1[N+](=O)[O-]	ZINC000596267868	567619833	/nfs/dbraw/zinc/61/98/33/567619833.db2.gz	AOUZSOYIOBMPGD-UHFFFAOYSA-N	0	3	398.301	3.357	10	5		GGBEHN
O=[N+]([O-])c1ccc(CNCC2(OCCO)CCC(F)(F)CC2)c(Cl)c1	ZINC000598992960	567802308	/nfs/dbraw/zinc/80/23/08/567802308.db2.gz	FDFDFMZXVNTFNQ-UHFFFAOYSA-N	0	3	378.803	3.295	10	5		GGBEHN
CCC1(N2CCOCC2)CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1	ZINC000599188719	567810060	/nfs/dbraw/zinc/81/00/60/567810060.db2.gz	WHVKBKJLMVIYGU-UHFFFAOYSA-N	0	3	398.301	3.439	10	5		GGBEHN
CN(C)CCN1Cc2cccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C1	ZINC000089314324	570446597	/nfs/dbraw/zinc/44/65/97/570446597.db2.gz	CJUNQFJEJPIAHD-UHFFFAOYSA-N	0	3	388.855	3.378	10	5		GGBEHN
CN(C)[C@H]1Cc2ccccc2N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1	ZINC000132809942	1416817969	/nfs/dbraw/zinc/81/79/69/1416817969.db2.gz	ATOQGURLULTKKM-KRWDZBQOSA-N	0	3	378.432	3.138	10	5		GGBEHN
C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1	ZINC000180607750	1429930229	/nfs/dbraw/zinc/93/02/29/1429930229.db2.gz	FIUAPVCNGFOMBO-BEFAXECRSA-N	0	3	380.452	3.275	10	5		GGBEHN
C[C@](CO)(Cc1ccc(Br)cc1)NCc1ccccc1[N+](=O)[O-]	ZINC001460872241	1126193230	/nfs/dbraw/zinc/19/32/30/1126193230.db2.gz	UVSKRRYVRXVRAH-QGZVFWFLSA-N	0	3	379.254	3.441	10	5		GGBEHN
COC(=O)c1ccc([N+](=O)[O-])c(CN[C@](C)(CO)Cc2ccc(Cl)cc2)c1	ZINC001473840352	1126200909	/nfs/dbraw/zinc/20/09/09/1126200909.db2.gz	WACQGPCZLFMTTO-IBGZPJMESA-N	0	3	392.839	3.118	10	5		GGBEHN
CCC(CC)(CNC(=O)OC(C)(C)C)NCc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000097001819	208332769	/nfs/dbraw/zinc/33/27/69/208332769.db2.gz	RORIZRPKHSZYPI-UHFFFAOYSA-N	0	3	395.456	3.497	10	5		GGBEHN
C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1	ZINC000028920322	564365765	/nfs/dbraw/zinc/36/57/65/564365765.db2.gz	WZJHLWJNNWZLBQ-WBMJQRKESA-N	0	3	395.253	3.448	10	5		GGBEHN
CCN1CCC[C@H]1CN(C)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1	ZINC000126430711	564548269	/nfs/dbraw/zinc/54/82/69/564548269.db2.gz	CBINDLZQPQNHIW-ZDUSSCGKSA-N	0	3	384.274	3.222	10	5		GGBEHN
C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCN1C	ZINC000155151906	565062943	/nfs/dbraw/zinc/06/29/43/565062943.db2.gz	JNICKONXEOWOJQ-PWSUYJOCSA-N	0	3	385.262	3.304	10	5		GGBEHN
O=[N+]([O-])c1cccc(OCCN[C@H](CO)c2cccc(Br)c2)c1	ZINC000183887015	565101000	/nfs/dbraw/zinc/10/10/00/565101000.db2.gz	ZTZGZNAMYMAMKS-MRXNPFEDSA-N	0	3	381.226	3.059	10	5		GGBEHN
O=C(NC1CCN(C2CCC2)CC1)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000296826086	565339012	/nfs/dbraw/zinc/33/90/12/565339012.db2.gz	DNYSSSYYSPOQPB-UHFFFAOYSA-N	0	3	382.258	3.104	10	5		GGBEHN
O=[N+]([O-])c1cc(Br)cnc1Nc1cnn(CCN2CCCCC2)c1	ZINC000301957390	565521012	/nfs/dbraw/zinc/52/10/12/565521012.db2.gz	MYKCPSWFKGIJJM-UHFFFAOYSA-N	0	3	395.261	3.178	10	5		GGBEHN
CCN1CC[C@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@H](C)C1	ZINC000278022485	565534709	/nfs/dbraw/zinc/53/47/09/565534709.db2.gz	QCZDRORORZDXAN-ZJUUUORDSA-N	0	3	390.303	3.221	10	5		GGBEHN
O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCN2CCC[C@H]2C1	ZINC000408123928	565595600	/nfs/dbraw/zinc/59/56/00/565595600.db2.gz	KZNLBMVQIRBDHY-LBPRGKRZSA-N	0	3	377.242	3.190	10	5		GGBEHN
CCN1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1	ZINC000280639148	565686237	/nfs/dbraw/zinc/68/62/37/565686237.db2.gz	BCFKSVCOUHTRDN-UHFFFAOYSA-N	0	3	385.262	3.225	10	5		GGBEHN
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCCC[C@@H](N2CCCC2)C1	ZINC000175777581	565723792	/nfs/dbraw/zinc/72/37/92/565723792.db2.gz	IEQDDPAFSSSATO-CQSZACIVSA-N	0	3	396.285	3.448	10	5		GGBEHN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1	ZINC000284401688	565852901	/nfs/dbraw/zinc/85/29/01/565852901.db2.gz	QQOVCCPNEDFGAP-CMPLNLGQSA-N	0	3	384.274	3.220	10	5		GGBEHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-]	ZINC000599384138	566260141	/nfs/dbraw/zinc/26/01/41/566260141.db2.gz	IQDJCXOFMRYKLI-TXEJJXNPSA-N	0	3	384.274	3.350	10	5		GGBEHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-]	ZINC000599384137	566260431	/nfs/dbraw/zinc/26/04/31/566260431.db2.gz	IQDJCXOFMRYKLI-RYUDHWBXSA-N	0	3	384.274	3.350	10	5		GGBEHN
CC1(N2CCOCC2)CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1	ZINC000599621513	566280022	/nfs/dbraw/zinc/28/00/22/566280022.db2.gz	DDLNUABYYAKEMH-UHFFFAOYSA-N	0	3	398.301	3.044	10	5		GGBEHN
C[C@@](CO)(NCCOc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000511566032	566472979	/nfs/dbraw/zinc/47/29/79/566472979.db2.gz	VGQVBJNHCOYHPB-KRWDZBQOSA-N	0	3	395.253	3.233	10	5		GGBEHN
C[C@](CO)(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	ZINC000511608154	566475089	/nfs/dbraw/zinc/47/50/89/566475089.db2.gz	ZTAVCAPPTOYKFV-QGZVFWFLSA-N	0	3	395.253	3.233	10	5		GGBEHN
CCCCN1CCC(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1	ZINC000609465508	566764984	/nfs/dbraw/zinc/76/49/84/566764984.db2.gz	KANHFKBOXRDMOH-UHFFFAOYSA-N	0	3	389.905	3.099	10	5		GGBEHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000610064367	566801803	/nfs/dbraw/zinc/80/18/03/566801803.db2.gz	DAXMCFBWWOCRNH-RYUDHWBXSA-N	0	3	384.274	3.350	10	5		GGBEHN
O=[N+]([O-])c1ccc(CCN(CCO)Cc2cc(Br)cs2)cc1	ZINC000494222279	566977059	/nfs/dbraw/zinc/97/70/59/566977059.db2.gz	DYGHTDKXTKAFMB-UHFFFAOYSA-N	0	3	385.283	3.456	10	5		GGBEHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000431033700	567049335	/nfs/dbraw/zinc/04/93/35/567049335.db2.gz	RDUWJKBWWBOFAM-TXEJJXNPSA-N	0	3	384.274	3.350	10	5		GGBEHN
CCN(CCCN1CCCC1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000473944701	567116825	/nfs/dbraw/zinc/11/68/25/567116825.db2.gz	LFGGPNYXTOQEAS-UHFFFAOYSA-N	0	3	389.905	3.053	10	5		GGBEHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000431931853	567118482	/nfs/dbraw/zinc/11/84/82/567118482.db2.gz	TWIQIIKWXILBNA-RYUDHWBXSA-N	0	3	384.274	3.350	10	5		GGBEHN
O=[N+]([O-])c1ccn(CCN(Cc2cccc(Br)c2)CC2CC2)n1	ZINC000475728324	567269260	/nfs/dbraw/zinc/26/92/60/567269260.db2.gz	AYCYUXCUCNPKEV-UHFFFAOYSA-N	0	3	379.258	3.466	10	5		GGBEHN
CCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1	ZINC000592258921	567325807	/nfs/dbraw/zinc/32/58/07/567325807.db2.gz	YCWWVUQYELQDNG-CYBMUJFWSA-N	0	3	385.262	3.305	10	5		GGBEHN
CCN(CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CC1	ZINC000435327939	567356097	/nfs/dbraw/zinc/35/60/97/567356097.db2.gz	JGNRNKKTCMPTBE-UHFFFAOYSA-N	0	3	385.262	3.272	10	5		GGBEHN
Cc1c(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-]	ZINC000435330458	567356690	/nfs/dbraw/zinc/35/66/90/567356690.db2.gz	SWEYEVKAKMLVNC-JOYOIKCWSA-N	0	3	385.262	3.270	10	5		GGBEHN
C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCN1C	ZINC000501068612	567362410	/nfs/dbraw/zinc/36/24/10/567362410.db2.gz	GSNTXABDXFGXOW-GWCFXTLKSA-N	0	3	385.262	3.304	10	5		GGBEHN
C[C@H]1C[C@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCN1C	ZINC000501068613	567363195	/nfs/dbraw/zinc/36/31/95/567363195.db2.gz	GSNTXABDXFGXOW-GXFFZTMASA-N	0	3	385.262	3.304	10	5		GGBEHN
CCN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCOC1	ZINC000593070735	567384233	/nfs/dbraw/zinc/38/42/33/567384233.db2.gz	PJBIZUDDYJEHBK-CYBMUJFWSA-N	0	3	390.221	3.200	10	5		GGBEHN
C[C@H](CNCc1cc(I)cc([N+](=O)[O-])c1)c1ccccn1	ZINC000594955212	567528856	/nfs/dbraw/zinc/52/88/56/567528856.db2.gz	PVSBAXHTAAHBOY-LLVKDONJSA-N	0	3	397.216	3.488	10	5		GGBEHN
C[C@@H]1CC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CS1(=O)=O	ZINC000594974439	567531243	/nfs/dbraw/zinc/53/12/43/567531243.db2.gz	KTRGJEQAXLNKNE-CHWSQXEVSA-N	0	3	380.491	3.379	10	5		GGBEHN
Cc1ccncc1CCNCc1cc(I)cc([N+](=O)[O-])c1	ZINC000594969015	567531315	/nfs/dbraw/zinc/53/13/15/567531315.db2.gz	UTCBTWBHDNZENW-UHFFFAOYSA-N	0	3	397.216	3.235	10	5		GGBEHN
CCS(=O)(=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1	ZINC000594993358	567532555	/nfs/dbraw/zinc/53/25/55/567532555.db2.gz	PLHJQVPWVWNUMM-UHFFFAOYSA-N	0	3	380.491	3.380	10	5		GGBEHN
O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cc(F)cc(Br)c2)c1	ZINC000571586573	567573276	/nfs/dbraw/zinc/57/32/76/567573276.db2.gz	OLXMMUJKJDNJKC-OAHLLOKOSA-N	0	3	399.216	3.026	10	5		GGBEHN
O=[N+]([O-])c1cncc(Cl)c1NC1CC(N2CCC(C(F)(F)F)CC2)C1	ZINC000596223624	567617720	/nfs/dbraw/zinc/61/77/20/567617720.db2.gz	QEVMCZDVZIXIOX-UHFFFAOYSA-N	0	3	378.782	3.282	10	5		GGBEHN
O=[N+]([O-])c1cc(Br)ccc1N1CCC(N2CCCOCC2)CC1	ZINC000596268298	567620178	/nfs/dbraw/zinc/62/01/78/567620178.db2.gz	JGHYUYJTGDSFMQ-UHFFFAOYSA-N	0	3	384.274	3.048	10	5		GGBEHN
CC[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F	ZINC000004917626	570365373	/nfs/dbraw/zinc/36/53/73/570365373.db2.gz	FWQLOCSZKKZXSM-LBPRGKRZSA-N	0	3	388.399	3.313	10	5		GGBEHN
O=C1COc2ccccc2N1CCCNCc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000174523553	1427202210	/nfs/dbraw/zinc/20/22/10/1427202210.db2.gz	DVQVTCIUQOBKIO-UHFFFAOYSA-N	0	3	375.812	3.154	10	5		GGBEHN
C[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1	ZINC000245732786	1433507407	/nfs/dbraw/zinc/50/74/07/1433507407.db2.gz	FIUAPVCNGFOMBO-HNAYVOBHSA-N	0	3	380.452	3.275	10	5		GGBEHN
COc1ccc(C[C@](C)(CO)NCc2cc([N+](=O)[O-])ccc2OC(C)C)cc1	ZINC001460855697	1126192185	/nfs/dbraw/zinc/19/21/85/1126192185.db2.gz	CUMIQZBHTQHAFK-OAQYLSRUSA-N	0	3	388.464	3.474	10	5		GGBEHN
COc1ccccc1C[C@@](C)(CO)NCc1cc([N+](=O)[O-])ccc1OC(C)C	ZINC001644308729	1126247109	/nfs/dbraw/zinc/24/71/09/1126247109.db2.gz	NDMKVXVGOZKHHG-NRFANRHFSA-N	0	3	388.464	3.474	10	5		GGBEHN
Cc1cc(NC2CCN([C@H]3CCOC3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000084114698	211167429	/nfs/dbraw/zinc/16/74/29/211167429.db2.gz	VGNWPLRCPJLGGN-SFHVURJKSA-N	0	3	383.452	3.025	10	5		GGBEHN
CCN1CCC[C@@H]1CN(C)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1	ZINC000126430420	564548291	/nfs/dbraw/zinc/54/82/91/564548291.db2.gz	CBINDLZQPQNHIW-CYBMUJFWSA-N	0	3	384.274	3.222	10	5		GGBEHN
CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000131966702	564730138	/nfs/dbraw/zinc/73/01/38/564730138.db2.gz	UUNCQRJFSYKFNT-INIZCTEOSA-N	0	3	392.253	3.390	10	5		GGBEHN
C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCN1C	ZINC000155152003	565062890	/nfs/dbraw/zinc/06/28/90/565062890.db2.gz	JNICKONXEOWOJQ-JQWIXIFHSA-N	0	3	385.262	3.304	10	5		GGBEHN
O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC(N2CC=CC2)CC1	ZINC000375536642	565393057	/nfs/dbraw/zinc/39/30/57/565393057.db2.gz	GIJPURBERNRPFC-UHFFFAOYSA-N	0	3	395.257	3.225	10	5		GGBEHN
Cc1c(NC(=O)N[C@H](C)C2=CCN(C)CC2)cc(Br)cc1[N+](=O)[O-]	ZINC000280705389	565690153	/nfs/dbraw/zinc/69/01/53/565690153.db2.gz	IFKGDXCNIGLCDL-LLVKDONJSA-N	0	3	397.273	3.438	10	5		GGBEHN
CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1N1CCCC1	ZINC000413225404	565840477	/nfs/dbraw/zinc/84/04/77/565840477.db2.gz	GQTTTYXVLJXHFF-CHWSQXEVSA-N	0	3	376.404	3.025	10	5		GGBEHN
C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Br)c1	ZINC000182205887	566189402	/nfs/dbraw/zinc/18/94/02/566189402.db2.gz	SKEOOJDNTUHZLA-WFASDCNBSA-N	0	3	395.253	3.448	10	5		GGBEHN
CCCN1CCC(N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1	ZINC000182531319	566210820	/nfs/dbraw/zinc/21/08/20/566210820.db2.gz	PXTZLYFGZXIJNU-UHFFFAOYSA-N	0	3	389.905	3.052	10	5		GGBEHN
Cc1cc([N+](=O)[O-])ccc1CNCCNC(=O)c1cccc(Br)c1	ZINC000183476703	566247688	/nfs/dbraw/zinc/24/76/88/566247688.db2.gz	NGAGBNAXYVOHPW-UHFFFAOYSA-N	0	3	392.253	3.185	10	5		GGBEHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000446049738	566325819	/nfs/dbraw/zinc/32/58/19/566325819.db2.gz	CHHCLTGQDRXKOE-BETUJISGSA-N	0	3	398.301	3.279	10	5		GGBEHN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCC1	ZINC000600467635	566340633	/nfs/dbraw/zinc/34/06/33/566340633.db2.gz	ATRMXJFXYDZZBB-CYBMUJFWSA-N	0	3	396.285	3.412	10	5		GGBEHN
O=C(NC[C@@H]1CCN1C1CCCC1)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000600473198	566340651	/nfs/dbraw/zinc/34/06/51/566340651.db2.gz	UMNLVVZOPXEACE-ZDUSSCGKSA-N	0	3	382.258	3.104	10	5		GGBEHN
CS[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1	ZINC000446421731	566349270	/nfs/dbraw/zinc/34/92/70/566349270.db2.gz	YVWQYLGRPSGKIE-GJZGRUSLSA-N	0	3	383.901	3.208	10	5		GGBEHN
C[C@](CO)(NCCOc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	ZINC000511608030	566475007	/nfs/dbraw/zinc/47/50/07/566475007.db2.gz	ZJROAYRWPOPQIU-QGZVFWFLSA-N	0	3	395.253	3.233	10	5		GGBEHN
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1	ZINC000485451746	566498824	/nfs/dbraw/zinc/49/88/24/566498824.db2.gz	NAXVRNQBULHYPF-ABAIWWIYSA-N	0	3	397.273	3.448	10	5		GGBEHN
O=[N+]([O-])c1ccn(CCN2CCCN(c3ccc(Cl)c(Cl)c3)CC2)n1	ZINC000538390665	566510035	/nfs/dbraw/zinc/51/00/35/566510035.db2.gz	UCHSQLZUYCCJAH-UHFFFAOYSA-N	0	3	384.267	3.310	10	5		GGBEHN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCN1CCCC[C@@H]1C	ZINC000559517928	566554123	/nfs/dbraw/zinc/55/41/23/566554123.db2.gz	PHXHGZQOJXWBJI-NSHDSACASA-N	0	3	384.274	3.270	10	5		GGBEHN
Cc1c(CN[C@@H](C)Cn2cc(Br)ccc2=O)cccc1[N+](=O)[O-]	ZINC000581621790	566794205	/nfs/dbraw/zinc/79/42/05/566794205.db2.gz	HCEICAAOUGZVND-NSHDSACASA-N	0	3	380.242	3.006	10	5		GGBEHN
CC1(C)CC[C@H](CNCc2cc(I)cc([N+](=O)[O-])c2)O1	ZINC000589319796	567174891	/nfs/dbraw/zinc/17/48/91/567174891.db2.gz	NUJKXZOPDFABEW-CYBMUJFWSA-N	0	3	390.221	3.247	10	5		GGBEHN
O=[N+]([O-])c1cnn(CCN(Cc2cccc(Br)c2)CC2CC2)c1	ZINC000475728973	567270297	/nfs/dbraw/zinc/27/02/97/567270297.db2.gz	CXOWTHPPKYBDGL-UHFFFAOYSA-N	0	3	379.258	3.466	10	5		GGBEHN
CS[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1N1CCCC1	ZINC000476048658	567292451	/nfs/dbraw/zinc/29/24/51/567292451.db2.gz	FLPIMZBYEBAKRP-HUUCEWRRSA-N	0	3	386.315	3.373	10	5		GGBEHN
CS[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1	ZINC000476048656	567292710	/nfs/dbraw/zinc/29/27/10/567292710.db2.gz	FLPIMZBYEBAKRP-GJZGRUSLSA-N	0	3	386.315	3.373	10	5		GGBEHN
Cc1c(NC(=O)N(C)C[C@@H]2CCCN(C)C2)cc(Br)cc1[N+](=O)[O-]	ZINC000435325822	567356186	/nfs/dbraw/zinc/35/61/86/567356186.db2.gz	CMCJTAMXXOAFJT-GFCCVEGCSA-N	0	3	399.289	3.471	10	5		GGBEHN
O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)NC1CCN(C2CC2)CC1	ZINC000501080552	567362289	/nfs/dbraw/zinc/36/22/89/567362289.db2.gz	DAYQHMGKZOPGMD-UHFFFAOYSA-N	0	3	383.246	3.106	10	5		GGBEHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1	ZINC000501105839	567364599	/nfs/dbraw/zinc/36/45/99/567364599.db2.gz	JNRMPTTWWKFKBO-KGLIPLIRSA-N	0	3	397.273	3.448	10	5		GGBEHN
CCN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCOC1	ZINC000593070738	567384115	/nfs/dbraw/zinc/38/41/15/567384115.db2.gz	PJBIZUDDYJEHBK-ZDUSSCGKSA-N	0	3	390.221	3.200	10	5		GGBEHN
CS[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1N1CCCC1	ZINC000436342455	567420264	/nfs/dbraw/zinc/42/02/64/567420264.db2.gz	IFGKRBFXDWGMSY-STQMWFEESA-N	0	3	376.404	3.025	10	5		GGBEHN
Cc1c(NC(=O)N[C@@H]2CCN(CC3CC3)C2)cc(Br)cc1[N+](=O)[O-]	ZINC000619541200	567463754	/nfs/dbraw/zinc/46/37/54/567463754.db2.gz	ABUSSBUDXXPFDH-CYBMUJFWSA-N	0	3	397.273	3.272	10	5		GGBEHN
Cc1c(NC(=O)N[C@H]2CCN(CC3CC3)C2)cc(Br)cc1[N+](=O)[O-]	ZINC000619541201	567463844	/nfs/dbraw/zinc/46/38/44/567463844.db2.gz	ABUSSBUDXXPFDH-ZDUSSCGKSA-N	0	3	397.273	3.272	10	5		GGBEHN
NC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C(F)(F)F	ZINC000594451369	567475833	/nfs/dbraw/zinc/47/58/33/567475833.db2.gz	SILDAZWUHQZZRG-ZDUSSCGKSA-N	0	3	377.388	3.249	10	5		GGBEHN
C[C@H]1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CS1(=O)=O	ZINC000594978096	567531079	/nfs/dbraw/zinc/53/10/79/567531079.db2.gz	XTPRWPIPZHVRQN-GXTWGEPZSA-N	0	3	380.491	3.379	10	5		GGBEHN
C[C@@H]1CCC[C@H](CNCc2cc(I)cc([N+](=O)[O-])c2)O1	ZINC000594983642	567533034	/nfs/dbraw/zinc/53/30/34/567533034.db2.gz	HGWORLXPWRFNSX-QMTHXVAHSA-N	0	3	390.221	3.247	10	5		GGBEHN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000597861919	567721211	/nfs/dbraw/zinc/72/12/11/567721211.db2.gz	YCRQREYVWBVJCN-NSHDSACASA-N	0	3	384.274	3.268	10	5		GGBEHN
CC1(C)SC[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000554976883	567761702	/nfs/dbraw/zinc/76/17/02/567761702.db2.gz	YCSLJLYWYLXVGC-NSHDSACASA-N	0	3	378.235	3.183	10	5		GGBEHN
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000248097169	570440037	/nfs/dbraw/zinc/44/00/37/570440037.db2.gz	YLRZWWHPSAQKQT-SJLPKXTDSA-N	0	3	396.403	3.260	10	5		GGBEHN
C[C@@H]1CCCN(c2ccc(C(=O)NC3CCN(C4CC4)CC3)cc2[N+](=O)[O-])C1	ZINC000012510640	570824694	/nfs/dbraw/zinc/82/46/94/570824694.db2.gz	DMVOOXGHHWIZJY-OAHLLOKOSA-N	0	3	386.496	3.188	10	5		GGBEHN
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003178565	1398327266	/nfs/dbraw/zinc/32/72/66/1398327266.db2.gz	YLRZWWHPSAQKQT-WMZOPIPTSA-N	0	3	396.403	3.260	10	5		GGBEHN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(Cc2ccccc2)CC1	ZINC000045799540	1404207741	/nfs/dbraw/zinc/20/77/41/1404207741.db2.gz	IFOPMLOSKVBIKB-UHFFFAOYSA-N	0	3	382.464	3.050	10	5		GGBEHN
Cn1cc(CNCc2ccc(C3OCCO3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000123144751	1414652994	/nfs/dbraw/zinc/65/29/94/1414652994.db2.gz	BMYMKUMJNTZVPD-UHFFFAOYSA-N	0	3	394.431	3.331	10	5		GGBEHN
C[C@](CO)(Cc1ccc(Cl)cc1)NCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000865771501	1126116091	/nfs/dbraw/zinc/11/60/91/1126116091.db2.gz	JEGOZYZMYUMNBH-LJQANCHMSA-N	0	3	392.839	3.198	10	5		GGBEHN
COc1ccc(C[C@@](C)(CO)NCc2cc([N+](=O)[O-])ccc2OC(C)C)cc1	ZINC001460855694	1126192160	/nfs/dbraw/zinc/19/21/60/1126192160.db2.gz	CUMIQZBHTQHAFK-NRFANRHFSA-N	0	3	388.464	3.474	10	5		GGBEHN
COc1ccc(C[C@](C)(CO)NCc2cc(Cl)ccc2[N+](=O)[O-])cc1OC	ZINC001473839607	1126199916	/nfs/dbraw/zinc/19/99/16/1126199916.db2.gz	FPIYMQRTIUKWQL-LJQANCHMSA-N	0	3	394.855	3.349	10	5		GGBEHN
Cc1c([C@H](C)N2CCN(c3ccc(CN(C)C)cn3)CC2)cccc1[N+](=O)[O-]	ZINC000097165313	136188158	/nfs/dbraw/zinc/18/81/58/136188158.db2.gz	VOESXDMJAOVBNY-KRWDZBQOSA-N	0	3	383.496	3.243	10	5		GGBEHN
Cc1c([C@@H](C)N2CCN(c3ccc(CN(C)C)cn3)CC2)cccc1[N+](=O)[O-]	ZINC000097165312	136188270	/nfs/dbraw/zinc/18/82/70/136188270.db2.gz	VOESXDMJAOVBNY-QGZVFWFLSA-N	0	3	383.496	3.243	10	5		GGBEHN
Cc1cc(NC2CCN([C@@H]3CCOC3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000084114697	222315163	/nfs/dbraw/zinc/31/51/63/222315163.db2.gz	VGNWPLRCPJLGGN-GOSISDBHSA-N	0	3	383.452	3.025	10	5		GGBEHN
C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1	ZINC000028920323	564365625	/nfs/dbraw/zinc/36/56/25/564365625.db2.gz	WZJHLWJNNWZLBQ-LRDDRELGSA-N	0	3	395.253	3.448	10	5		GGBEHN
Cc1c(Br)cc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000125111350	564503476	/nfs/dbraw/zinc/50/34/76/564503476.db2.gz	WYGPYDAAAOZVOA-ZWNOBZJWSA-N	0	3	384.274	3.220	10	5		GGBEHN
CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000131966914	564729836	/nfs/dbraw/zinc/72/98/36/564729836.db2.gz	UUNCQRJFSYKFNT-MRXNPFEDSA-N	0	3	392.253	3.390	10	5		GGBEHN
COc1ccc([C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])N(C)C)cc1	ZINC000096566792	564902168	/nfs/dbraw/zinc/90/21/68/564902168.db2.gz	JCNDTRQBKLLGBN-OAHLLOKOSA-N	0	3	395.257	3.476	10	5		GGBEHN
O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])s1	ZINC000373419901	565284394	/nfs/dbraw/zinc/28/43/94/565284394.db2.gz	XDLLDZLPKIOMQQ-UHFFFAOYSA-N	0	3	377.388	3.191	10	5		GGBEHN
O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1	ZINC000375520503	565392871	/nfs/dbraw/zinc/39/28/71/565392871.db2.gz	APXBLGMXTMKANI-ZDUSSCGKSA-N	0	3	383.246	3.059	10	5		GGBEHN
O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H](OCCN2CCCCC2)C1	ZINC000301739578	565508104	/nfs/dbraw/zinc/50/81/04/565508104.db2.gz	JTJQHPLEHZOJNF-OAHLLOKOSA-N	0	3	398.301	3.439	10	5		GGBEHN
O=[N+]([O-])c1ccc(N2CC[C@@H](OCCN3CCCCC3)C2)c(Br)c1	ZINC000301800978	565510547	/nfs/dbraw/zinc/51/05/47/565510547.db2.gz	CCIBRDWFUFCISC-OAHLLOKOSA-N	0	3	398.301	3.439	10	5		GGBEHN
O=[N+]([O-])c1ccc(N2CC[C@H](OCCN3CCCCC3)C2)c(Br)c1	ZINC000301800976	565511250	/nfs/dbraw/zinc/51/12/50/565511250.db2.gz	CCIBRDWFUFCISC-HNNXBMFYSA-N	0	3	398.301	3.439	10	5		GGBEHN
CCN1CC[C@@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@H](C)C1	ZINC000278022466	565534658	/nfs/dbraw/zinc/53/46/58/565534658.db2.gz	QCZDRORORZDXAN-NXEZZACHSA-N	0	3	390.303	3.221	10	5		GGBEHN
CN1CC[C@@H]2CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])[C@@H]2C1	ZINC000408145838	565597411	/nfs/dbraw/zinc/59/74/11/565597411.db2.gz	LBCALODKAYKEDE-BDJLRTHQSA-N	0	3	391.269	3.436	10	5		GGBEHN
Cc1c(NC(=O)NC2CCN(C3CC3)CC2)cc(Br)cc1[N+](=O)[O-]	ZINC000280677587	565688511	/nfs/dbraw/zinc/68/85/11/565688511.db2.gz	FNMWGQSCBFRCQT-UHFFFAOYSA-N	0	3	397.273	3.414	10	5		GGBEHN
COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc(Br)c1[O-]	ZINC000194414591	565814162	/nfs/dbraw/zinc/81/41/62/565814162.db2.gz	ZIHDCZCFYDXRPC-UHFFFAOYSA-N	0	3	381.226	3.404	10	5		GGBEHN
CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1N1CCCC1	ZINC000413225414	565840768	/nfs/dbraw/zinc/84/07/68/565840768.db2.gz	GQTTTYXVLJXHFF-STQMWFEESA-N	0	3	376.404	3.025	10	5		GGBEHN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1	ZINC000284401693	565852913	/nfs/dbraw/zinc/85/29/13/565852913.db2.gz	QQOVCCPNEDFGAP-JQWIXIFHSA-N	0	3	384.274	3.220	10	5		GGBEHN
Cc1c(Br)cc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000245529945	565994182	/nfs/dbraw/zinc/99/41/82/565994182.db2.gz	WYGPYDAAAOZVOA-GWCFXTLKSA-N	0	3	384.274	3.220	10	5		GGBEHN
C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Br)c1	ZINC000182205930	566189230	/nfs/dbraw/zinc/18/92/30/566189230.db2.gz	SKEOOJDNTUHZLA-SWLSCSKDSA-N	0	3	395.253	3.448	10	5		GGBEHN
C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Br)c1	ZINC000182205947	566189499	/nfs/dbraw/zinc/18/94/99/566189499.db2.gz	SKEOOJDNTUHZLA-IUODEOHRSA-N	0	3	395.253	3.448	10	5		GGBEHN
Cc1cc([N+](=O)[O-])ccc1CNCCNC(=O)c1ccc(Br)cc1	ZINC000183452096	566247568	/nfs/dbraw/zinc/24/75/68/566247568.db2.gz	WXLCMGRZJMUPKI-UHFFFAOYSA-N	0	3	392.253	3.185	10	5		GGBEHN
O=C(NC1CC(N2CCCCC2)C1)c1c(Br)cccc1[N+](=O)[O-]	ZINC000599862516	566301015	/nfs/dbraw/zinc/30/10/15/566301015.db2.gz	SNMMKMHEBMUKOO-UHFFFAOYSA-N	0	3	382.258	3.104	10	5		GGBEHN
Cc1c(Br)cc(C(=O)NCCN2CCCC[C@H]2C)cc1[N+](=O)[O-]	ZINC000509638143	566322565	/nfs/dbraw/zinc/32/25/65/566322565.db2.gz	IRZCDJWLEFHPNK-LLVKDONJSA-N	0	3	384.274	3.270	10	5		GGBEHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000446049739	566325922	/nfs/dbraw/zinc/32/59/22/566325922.db2.gz	CHHCLTGQDRXKOE-CHWSQXEVSA-N	0	3	398.301	3.279	10	5		GGBEHN
O=C(NC[C@@H]1CCN1C1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000600230126	566326190	/nfs/dbraw/zinc/32/61/90/566326190.db2.gz	ZWTVXZATDYDYDZ-AWEZNQCLSA-N	0	3	396.285	3.494	10	5		GGBEHN
O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CCN1C1CCCC1	ZINC000600473195	566340237	/nfs/dbraw/zinc/34/02/37/566340237.db2.gz	ULPHWWLNBORKHC-HNNXBMFYSA-N	0	3	396.285	3.033	10	5		GGBEHN
O=C(NC[C@H]1CCN1C1CCCC1)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000600473197	566340677	/nfs/dbraw/zinc/34/06/77/566340677.db2.gz	UMNLVVZOPXEACE-CYBMUJFWSA-N	0	3	382.258	3.104	10	5		GGBEHN
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCN1C1CCCC1	ZINC000600472290	566340731	/nfs/dbraw/zinc/34/07/31/566340731.db2.gz	NVWSGMVWEQUKML-CQSZACIVSA-N	0	3	383.901	3.473	10	5		GGBEHN
Cc1c(Cl)cc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)cc1[N+](=O)[O-]	ZINC000462709883	566346433	/nfs/dbraw/zinc/34/64/33/566346433.db2.gz	DOKRRKDZZPNXEC-CYBMUJFWSA-N	0	3	389.905	3.052	10	5		GGBEHN
C[C@](CO)(NCCOc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000511566033	566473421	/nfs/dbraw/zinc/47/34/21/566473421.db2.gz	VGQVBJNHCOYHPB-QGZVFWFLSA-N	0	3	395.253	3.233	10	5		GGBEHN
C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1(S(C)(=O)=O)CC1	ZINC000512894566	566568277	/nfs/dbraw/zinc/56/82/77/566568277.db2.gz	KWCJDKGZMZGUHV-GFCCVEGCSA-N	0	3	380.491	3.379	10	5		GGBEHN
Cc1cccnc1CCNCc1cc(I)cc([N+](=O)[O-])c1	ZINC000449489677	566570302	/nfs/dbraw/zinc/57/03/02/566570302.db2.gz	AODYVVRKZXVEEL-UHFFFAOYSA-N	0	3	397.216	3.235	10	5		GGBEHN
C[C@@H](Cn1cc(Br)ccc1=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000559916968	566576051	/nfs/dbraw/zinc/57/60/51/566576051.db2.gz	OFNZYWDPPAINRN-RYUDHWBXSA-N	0	3	380.242	3.258	10	5		GGBEHN
C[C@H](Cn1cc(Br)ccc1=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000559916966	566576423	/nfs/dbraw/zinc/57/64/23/566576423.db2.gz	OFNZYWDPPAINRN-NEPJUHHUSA-N	0	3	380.242	3.258	10	5		GGBEHN
Cc1nn(C)c(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1Br	ZINC000515249602	566701013	/nfs/dbraw/zinc/70/10/13/566701013.db2.gz	LGHVVOROUYGYCK-UHFFFAOYSA-N	0	3	392.257	3.213	10	5		GGBEHN
Cc1c(CN[C@H](C)Cn2cc(Br)ccc2=O)cccc1[N+](=O)[O-]	ZINC000581621789	566794215	/nfs/dbraw/zinc/79/42/15/566794215.db2.gz	HCEICAAOUGZVND-LLVKDONJSA-N	0	3	380.242	3.006	10	5		GGBEHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000610064369	566802375	/nfs/dbraw/zinc/80/23/75/566802375.db2.gz	DAXMCFBWWOCRNH-VXGBXAGGSA-N	0	3	384.274	3.350	10	5		GGBEHN
Cc1c(Cl)cc(S(=O)(=O)NCCN(C)C2CCCCC2)cc1[N+](=O)[O-]	ZINC000521636748	567070735	/nfs/dbraw/zinc/07/07/35/567070735.db2.gz	NOKSZBIEOUBZNK-UHFFFAOYSA-N	0	3	389.905	3.099	10	5		GGBEHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000431931854	567118862	/nfs/dbraw/zinc/11/88/62/567118862.db2.gz	TWIQIIKWXILBNA-TXEJJXNPSA-N	0	3	384.274	3.350	10	5		GGBEHN
CO[C@H]1CCCC[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1	ZINC000589266421	567171786	/nfs/dbraw/zinc/17/17/86/567171786.db2.gz	QTFJSJCWEYQNEJ-KBPBESRZSA-N	0	3	390.221	3.247	10	5		GGBEHN
Cc1c(NC(=O)NCC2=CCN(C)CC2)cc(Br)cc1[N+](=O)[O-]	ZINC000435321964	567355322	/nfs/dbraw/zinc/35/53/22/567355322.db2.gz	ZRCXWTSIHRAQOF-UHFFFAOYSA-N	0	3	383.246	3.049	10	5		GGBEHN
O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1	ZINC000501107999	567365551	/nfs/dbraw/zinc/36/55/51/567365551.db2.gz	OJQLRQKEOOLOOI-CQSZACIVSA-N	0	3	397.273	3.449	10	5		GGBEHN
CC(C)N1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1	ZINC000501107279	567365838	/nfs/dbraw/zinc/36/58/38/567365838.db2.gz	MZRPJLYWOWTOPK-UHFFFAOYSA-N	0	3	385.262	3.305	10	5		GGBEHN
C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1=CCN(C)CC1	ZINC000501121925	567367210	/nfs/dbraw/zinc/36/72/10/567367210.db2.gz	ZKEPURQTPIWYRI-JTQLQIEISA-N	0	3	383.246	3.129	10	5		GGBEHN
O=[N+]([O-])c1cc(I)cc(CNCCCc2ccccn2)c1	ZINC000569293438	567394189	/nfs/dbraw/zinc/39/41/89/567394189.db2.gz	AWBCODALKVSMTB-UHFFFAOYSA-N	0	3	397.216	3.317	10	5		GGBEHN
CO[C@H](C)CN(Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C	ZINC000569771022	567431174	/nfs/dbraw/zinc/43/11/74/567431174.db2.gz	VXTNWXOJDUWAIN-LLVKDONJSA-N	0	3	392.237	3.445	10	5		GGBEHN
CO[C@@H](C)CN(Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C	ZINC000569771023	567431756	/nfs/dbraw/zinc/43/17/56/567431756.db2.gz	VXTNWXOJDUWAIN-NSHDSACASA-N	0	3	392.237	3.445	10	5		GGBEHN
O=C(NC1CC(N2CCCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000619451628	567454731	/nfs/dbraw/zinc/45/47/31/567454731.db2.gz	GMCBVHKDZKTSHN-UHFFFAOYSA-N	0	3	382.258	3.104	10	5		GGBEHN
C[C@H]1CCC[C@@H](CNCc2cc(I)cc([N+](=O)[O-])c2)O1	ZINC000594983640	567532722	/nfs/dbraw/zinc/53/27/22/567532722.db2.gz	HGWORLXPWRFNSX-HZMBPMFUSA-N	0	3	390.221	3.247	10	5		GGBEHN
O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cc(F)cc(Br)c2)c1	ZINC000571586571	567572870	/nfs/dbraw/zinc/57/28/70/567572870.db2.gz	OLXMMUJKJDNJKC-HNNXBMFYSA-N	0	3	399.216	3.026	10	5		GGBEHN
CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000595635778	567575018	/nfs/dbraw/zinc/57/50/18/567575018.db2.gz	WRSWFJYXWUESKM-DFBGVHRSSA-N	0	3	387.274	3.013	10	5		GGBEHN
CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000595635780	567575037	/nfs/dbraw/zinc/57/50/37/567575037.db2.gz	WRSWFJYXWUESKM-KCPJHIHWSA-N	0	3	387.274	3.013	10	5		GGBEHN
CO[C@@H]1CCC[C@H]([C@H](CO)NCc2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000595635779	567575208	/nfs/dbraw/zinc/57/52/08/567575208.db2.gz	WRSWFJYXWUESKM-GLQYFDAESA-N	0	3	387.274	3.013	10	5		GGBEHN
N[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@H]1F	ZINC000596104577	567607913	/nfs/dbraw/zinc/60/79/13/567607913.db2.gz	GKEQBUVQCHHECR-HUUCEWRRSA-N	0	3	398.232	3.488	10	5		GGBEHN
COc1cnccc1N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1	ZINC000481035674	567653184	/nfs/dbraw/zinc/65/31/84/567653184.db2.gz	HWROXYBRUBUESC-UHFFFAOYSA-N	0	3	393.241	3.088	10	5		GGBEHN
CCCN1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1	ZINC000596888746	567662223	/nfs/dbraw/zinc/66/22/23/567662223.db2.gz	QZFSLSWZEFUSHO-LBPRGKRZSA-N	0	3	385.262	3.272	10	5		GGBEHN
CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@H]1CCN(C)C1	ZINC000596889880	567662551	/nfs/dbraw/zinc/66/25/51/567662551.db2.gz	ZXRBLFFVEHABMW-LBPRGKRZSA-N	0	3	385.262	3.224	10	5		GGBEHN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000597861917	567720614	/nfs/dbraw/zinc/72/06/14/567720614.db2.gz	YCRQREYVWBVJCN-LLVKDONJSA-N	0	3	384.274	3.268	10	5		GGBEHN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(C[N@H+](C)C(C)C)cc1	ZINC000048342407	570239474	/nfs/dbraw/zinc/23/94/74/570239474.db2.gz	DSMRWLWYMUIXNM-UHFFFAOYSA-N	0	3	391.493	3.222	10	5		GGBEHN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(C[N@@H+](C)C(C)C)cc1	ZINC000048342407	570239473	/nfs/dbraw/zinc/23/94/73/570239473.db2.gz	DSMRWLWYMUIXNM-UHFFFAOYSA-N	0	3	391.493	3.222	10	5		GGBEHN
CN(Cc1ccccc1N1CCCCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000025301850	570746851	/nfs/dbraw/zinc/74/68/51/570746851.db2.gz	XHNGEMPKEBVBHU-HXUWFJFHSA-N	0	3	399.491	3.457	10	5		GGBEHN
C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1	ZINC000245732781	1433507413	/nfs/dbraw/zinc/50/74/13/1433507413.db2.gz	FIUAPVCNGFOMBO-DNVCBOLYSA-N	0	3	380.452	3.275	10	5		GGBEHN