smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1Cl	ZINC000020124121	171005743	/nfs/dbraw/zinc/00/57/43/171005743.db2.gz	SIWIMLAXIOWALJ-NSHDSACASA-N	0	1	290.750	4.099	20	5		CIBDMN
C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1	ZINC000020148077	171034909	/nfs/dbraw/zinc/03/49/09/171034909.db2.gz	KWSXSNSMEQOGIW-NEPJUHHUSA-N	0	1	288.322	4.146	20	5		CIBDMN
C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1	ZINC000049963042	328379674	/nfs/dbraw/zinc/37/96/74/328379674.db2.gz	SMPGMZOLXTWJCF-LLVKDONJSA-N	0	1	290.750	4.099	20	5		CIBDMN
Cc1cc(C)cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1	ZINC000492241741	332388729	/nfs/dbraw/zinc/38/87/29/332388729.db2.gz	QZMHCWQSTXVRQR-UHFFFAOYSA-N	0	1	298.386	4.237	20	5		CIBDMN
CC(C)[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1	ZINC000037562822	333534899	/nfs/dbraw/zinc/53/48/99/333534899.db2.gz	ZZJCZJQFGYSCCK-OAHLLOKOSA-N	0	1	290.388	4.143	20	5		CIBDMN
Cc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1	ZINC000549169508	334186860	/nfs/dbraw/zinc/18/68/60/334186860.db2.gz	ZPWRFNWHSOCOAH-UHFFFAOYSA-N	0	1	296.370	4.068	20	5		CIBDMN
C[C@@H](NCc1sccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000193012712	335333767	/nfs/dbraw/zinc/33/37/67/335333767.db2.gz	NEYGUSSDIKRECM-SECBINFHSA-N	0	1	296.779	4.161	20	5		CIBDMN
CC(C)C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000387329750	336192509	/nfs/dbraw/zinc/19/25/09/336192509.db2.gz	ADMFCDFXBSYYEA-KRWDZBQOSA-N	0	1	298.386	4.472	20	5		CIBDMN
Cc1cc([C@@H](C)NCc2ccccc2[N+](=O)[O-])c(C)s1	ZINC000037122815	525467202	/nfs/dbraw/zinc/46/72/02/525467202.db2.gz	GZSFOYADAMKPOB-LLVKDONJSA-N	0	1	290.388	4.124	20	5		CIBDMN
Cc1ccc([C@H](C)N[C@H](C)c2ccsc2)cc1[N+](=O)[O-]	ZINC000061360962	525942734	/nfs/dbraw/zinc/94/27/34/525942734.db2.gz	PEUWULRUXFGNBO-NWDGAFQWSA-N	0	1	290.388	4.377	20	5		CIBDMN
CC[C@H](N[C@H](C)c1cc(C)ccn1)c1cccc([N+](=O)[O-])c1	ZINC000353517006	529666244	/nfs/dbraw/zinc/66/62/44/529666244.db2.gz	HMHGPAQCJHBFSG-CJNGLKHVSA-N	0	1	299.374	4.100	20	5		CIBDMN
C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000020122020	171002342	/nfs/dbraw/zinc/00/23/42/171002342.db2.gz	VBXPFHLMFOMMFA-NSHDSACASA-N	0	1	290.750	4.099	20	5		CIBDMN
C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000020525897	171238953	/nfs/dbraw/zinc/23/89/53/171238953.db2.gz	WWLAAIFHZBULEY-STQMWFEESA-N	0	1	270.332	4.007	20	5		CIBDMN
C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1cccs1	ZINC000035368216	172159732	/nfs/dbraw/zinc/15/97/32/172159732.db2.gz	METORFDXGYRMNU-VIFPVBQESA-N	0	1	296.779	4.161	20	5		CIBDMN
C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1cccs1	ZINC000035368217	172159961	/nfs/dbraw/zinc/15/99/61/172159961.db2.gz	METORFDXGYRMNU-SECBINFHSA-N	0	1	296.779	4.161	20	5		CIBDMN
C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC=C(c2ccco2)C1	ZINC000352570365	227071591	/nfs/dbraw/zinc/07/15/91/227071591.db2.gz	GMCOWTGPYXGGNA-ZDUSSCGKSA-N	0	1	298.342	4.038	20	5		CIBDMN
C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1F	ZINC000037764729	260116628	/nfs/dbraw/zinc/11/66/28/260116628.db2.gz	PKHNQQMYGBONHC-NWDGAFQWSA-N	0	1	288.322	4.146	20	5		CIBDMN
Cc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])cc1C	ZINC000050015546	328381799	/nfs/dbraw/zinc/38/17/99/328381799.db2.gz	PNJANOAXJPJWNQ-AWEZNQCLSA-N	0	1	284.359	4.062	20	5		CIBDMN
C[C@@H](Nc1cc2c(cn1)CCCC2)c1ccc([N+](=O)[O-])cc1	ZINC000462950708	331335847	/nfs/dbraw/zinc/33/58/47/331335847.db2.gz	PCTDKSXSWGEONQ-GFCCVEGCSA-N	0	1	297.358	4.042	20	5		CIBDMN
Cc1cccc(CN(C)[C@H](C)c2ccccc2[N+](=O)[O-])c1	ZINC000488399646	332003977	/nfs/dbraw/zinc/00/39/77/332003977.db2.gz	QPXVLHYZLMKRCI-CQSZACIVSA-N	0	1	284.359	4.096	20	5		CIBDMN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H]1c1ccccc1	ZINC000490034279	332077603	/nfs/dbraw/zinc/07/76/03/332077603.db2.gz	VBEVBSUPAHBOCK-RDTXWAMCSA-N	0	1	296.370	4.411	20	5		CIBDMN
Cc1cccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1C	ZINC000492337143	332393232	/nfs/dbraw/zinc/39/32/32/332393232.db2.gz	YDHVCKAKNPGDBS-UHFFFAOYSA-N	0	1	298.386	4.237	20	5		CIBDMN
Cc1cc(C)c(CN(C)Cc2ccccc2[N+](=O)[O-])c(C)c1	ZINC000195689422	333260590	/nfs/dbraw/zinc/26/05/90/333260590.db2.gz	CAESKEMQJRMGOF-UHFFFAOYSA-N	0	1	298.386	4.152	20	5		CIBDMN
Cc1cccc([C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c1	ZINC000157269334	334765289	/nfs/dbraw/zinc/76/52/89/334765289.db2.gz	PXKUCBCCIICSRY-UONOGXRCSA-N	0	1	284.359	4.315	20	5		CIBDMN
CC(C)c1ccc(CNCc2ccccc2[N+](=O)[O-])cc1	ZINC000044317990	519836325	/nfs/dbraw/zinc/83/63/25/519836325.db2.gz	XIEBNUOVVMHLNF-UHFFFAOYSA-N	0	1	284.359	4.008	20	5		CIBDMN
Cc1cc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)o1	ZINC000044729615	525470956	/nfs/dbraw/zinc/47/09/56/525470956.db2.gz	DMESEJLSBBWABB-NWDGAFQWSA-N	0	1	288.347	4.216	20	5		CIBDMN
C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccsc1	ZINC000061361137	525530959	/nfs/dbraw/zinc/53/09/59/525530959.db2.gz	POYARJKNZDLYQY-QWRGUYRKSA-N	0	1	276.361	4.068	20	5		CIBDMN
Cc1ccc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1	ZINC000036959935	525940899	/nfs/dbraw/zinc/94/08/99/525940899.db2.gz	PNKLSAZJXCAEQN-OLZOCXBDSA-N	0	1	288.347	4.216	20	5		CIBDMN
CC[C@@H](N[C@H](C)c1cc(C)ccn1)c1cccc([N+](=O)[O-])c1	ZINC000353517010	529205182	/nfs/dbraw/zinc/20/51/82/529205182.db2.gz	HMHGPAQCJHBFSG-CZUORRHYSA-N	0	1	299.374	4.100	20	5		CIBDMN
C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000020122019	171002154	/nfs/dbraw/zinc/00/21/54/171002154.db2.gz	VBXPFHLMFOMMFA-LLVKDONJSA-N	0	1	290.750	4.099	20	5		CIBDMN
C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000020526131	171239121	/nfs/dbraw/zinc/23/91/21/171239121.db2.gz	OEKQTOUKUGQPAI-RYUDHWBXSA-N	0	1	288.322	4.146	20	5		CIBDMN
Cc1ccnc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000285990305	263096743	/nfs/dbraw/zinc/09/67/43/263096743.db2.gz	GZPLFTURWSSXMQ-UONOGXRCSA-N	0	1	299.374	4.018	20	5		CIBDMN
CC[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccs1	ZINC000049529311	328367797	/nfs/dbraw/zinc/36/77/97/328367797.db2.gz	JUUSEEDTPRJRCC-WCQYABFASA-N	0	1	290.388	4.458	20	5		CIBDMN
Cc1cc([C@@H](C)NCc2csc([N+](=O)[O-])c2)c(C)s1	ZINC000037563051	326855532	/nfs/dbraw/zinc/85/55/32/326855532.db2.gz	SIXJKNZSWLBHOF-SECBINFHSA-N	0	1	296.417	4.185	20	5		CIBDMN
Cc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c(C)c1	ZINC000492004427	332378807	/nfs/dbraw/zinc/37/88/07/332378807.db2.gz	XBSHKZBPYHOBBN-UHFFFAOYSA-N	0	1	298.386	4.237	20	5		CIBDMN
Cc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1C	ZINC000492155444	332384797	/nfs/dbraw/zinc/38/47/97/332384797.db2.gz	VPJUGXXXCLAGDT-UHFFFAOYSA-N	0	1	298.386	4.237	20	5		CIBDMN
Cc1ccc(C)c(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1	ZINC000492224622	332388055	/nfs/dbraw/zinc/38/80/55/332388055.db2.gz	JSYVFFGLJHLNPZ-UHFFFAOYSA-N	0	1	298.386	4.237	20	5		CIBDMN
CC(C)N(Cc1c(Cl)cccc1[N+](=O)[O-])C1CCC1	ZINC000492237415	332388507	/nfs/dbraw/zinc/38/85/07/332388507.db2.gz	BKLGKIQSGRFQOR-UHFFFAOYSA-N	0	1	282.771	4.011	20	5		CIBDMN
C[C@@H](C1CC1)N(Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1	ZINC000547412771	334086587	/nfs/dbraw/zinc/08/65/87/334086587.db2.gz	ARQLYKBNVUJURI-JTQLQIEISA-N	0	1	294.782	4.011	20	5		CIBDMN
Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1ccccc1[N+](=O)[O-]	ZINC000089512517	334346123	/nfs/dbraw/zinc/34/61/23/334346123.db2.gz	LIELTOLJOBDARN-BBRMVZONSA-N	0	1	296.370	4.241	20	5		CIBDMN
CC1(C)C[C@@H](NCc2ccccc2[N+](=O)[O-])c2ccccc21	ZINC000180413592	335580985	/nfs/dbraw/zinc/58/09/85/335580985.db2.gz	GDVVXVHBPAGKCN-MRXNPFEDSA-N	0	1	296.370	4.107	20	5		CIBDMN
Cc1ccncc1[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000271541431	525768559	/nfs/dbraw/zinc/76/85/59/525768559.db2.gz	LSGGLNCBFJNJDG-KBPBESRZSA-N	0	1	299.374	4.018	20	5		CIBDMN
C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1	ZINC000020124310	171006374	/nfs/dbraw/zinc/00/63/74/171006374.db2.gz	RWQWSXPZYLPUGJ-LLVKDONJSA-N	0	1	290.750	4.099	20	5		CIBDMN
C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(F)c1	ZINC000020526238	171239443	/nfs/dbraw/zinc/23/94/43/171239443.db2.gz	SFFQBAPTEIRPFF-VXGBXAGGSA-N	0	1	288.322	4.146	20	5		CIBDMN
CC[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccs1	ZINC000049529310	328367702	/nfs/dbraw/zinc/36/77/02/328367702.db2.gz	JUUSEEDTPRJRCC-AAEUAGOBSA-N	0	1	290.388	4.458	20	5		CIBDMN
Cc1ccc(C)c([C@H](C)N(C)Cc2ccccc2[N+](=O)[O-])c1	ZINC000523442027	333327093	/nfs/dbraw/zinc/32/70/93/333327093.db2.gz	HQHYBKPWDLCBLJ-HNNXBMFYSA-N	0	1	298.386	4.405	20	5		CIBDMN
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC=C(c2ccco2)C1	ZINC000352543818	534095316	/nfs/dbraw/zinc/09/53/16/534095316.db2.gz	KECPEJKLXMGFGI-ZDUSSCGKSA-N	0	1	298.342	4.038	20	5		CIBDMN
Cc1cc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)o1	ZINC000037775667	525530612	/nfs/dbraw/zinc/53/06/12/525530612.db2.gz	HAUFIKJFGJAHOC-NEPJUHHUSA-N	0	1	288.347	4.216	20	5		CIBDMN
C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccsc1	ZINC000061361139	525612287	/nfs/dbraw/zinc/61/22/87/525612287.db2.gz	POYARJKNZDLYQY-WDEREUQCSA-N	0	1	276.361	4.068	20	5		CIBDMN
Cc1nc2ccc(CSc3cccc([N+](=O)[O-])c3)cc2[nH]1	ZINC000337914303	527140415	/nfs/dbraw/zinc/14/04/15/527140415.db2.gz	MSVVRUUQNPUNFO-UHFFFAOYSA-N	0	1	299.355	4.072	20	5		CIBDMN
Cc1ccc2nc(SCc3ccccc3[N+](=O)[O-])[nH]c2c1	ZINC000006292062	170188641	/nfs/dbraw/zinc/18/86/41/170188641.db2.gz	LEHHHWRXEXIKDQ-UHFFFAOYSA-N	0	1	299.355	4.072	20	5		CIBDMN
C[C@@H](N[C@@H](C)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-]	ZINC000020526133	171239156	/nfs/dbraw/zinc/23/91/56/171239156.db2.gz	OEKQTOUKUGQPAI-NWDGAFQWSA-N	0	1	288.322	4.146	20	5		CIBDMN
Cc1cccc(CN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])c1	ZINC000488399645	332004076	/nfs/dbraw/zinc/00/40/76/332004076.db2.gz	QPXVLHYZLMKRCI-AWEZNQCLSA-N	0	1	284.359	4.096	20	5		CIBDMN
Cc1cccc([C@@H](C)N(C)Cc2ccccc2[N+](=O)[O-])c1	ZINC000489070728	332040244	/nfs/dbraw/zinc/04/02/44/332040244.db2.gz	IOFXIHYTZZDNMT-CQSZACIVSA-N	0	1	284.359	4.096	20	5		CIBDMN
CCc1ccc([C@H](CC)NCc2ccccc2[N+](=O)[O-])cc1	ZINC000315630076	333382641	/nfs/dbraw/zinc/38/26/41/333382641.db2.gz	USUFCURJLDQHNX-KRWDZBQOSA-N	0	1	298.386	4.398	20	5		CIBDMN
C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1	ZINC000036992028	333452322	/nfs/dbraw/zinc/45/23/22/333452322.db2.gz	NUJLRKAPPMVKGO-SECBINFHSA-N	0	1	296.779	4.161	20	5		CIBDMN
Cc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])c(C)c1	ZINC000037772296	333539112	/nfs/dbraw/zinc/53/91/12/333539112.db2.gz	LVTFIIQPCCPFJG-CQSZACIVSA-N	0	1	284.359	4.062	20	5		CIBDMN
Cc1cc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)o1	ZINC000037775664	525471691	/nfs/dbraw/zinc/47/16/91/525471691.db2.gz	HAUFIKJFGJAHOC-NWDGAFQWSA-N	0	1	288.347	4.216	20	5		CIBDMN
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1	ZINC000036959937	525746047	/nfs/dbraw/zinc/74/60/47/525746047.db2.gz	PNKLSAZJXCAEQN-CHWSQXEVSA-N	0	1	288.347	4.216	20	5		CIBDMN
CC[C@H](N[C@@H](C)c1cc(C)ccn1)c1cccc([N+](=O)[O-])c1	ZINC000353516993	529652130	/nfs/dbraw/zinc/65/21/30/529652130.db2.gz	HMHGPAQCJHBFSG-BBRMVZONSA-N	0	1	299.374	4.100	20	5		CIBDMN
Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000020526174	171238947	/nfs/dbraw/zinc/23/89/47/171238947.db2.gz	PQUFIAQNGGSYKN-KGLIPLIRSA-N	0	1	284.359	4.315	20	5		CIBDMN
C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000020526132	171239027	/nfs/dbraw/zinc/23/90/27/171239027.db2.gz	OEKQTOUKUGQPAI-VXGBXAGGSA-N	0	1	288.322	4.146	20	5		CIBDMN
Cc1cc(NCc2ccccc2)c2cc([N+](=O)[O-])ccc2n1	ZINC000302206068	261349592	/nfs/dbraw/zinc/34/95/92/261349592.db2.gz	XDZPRMSRQHSLKD-UHFFFAOYSA-N	0	1	293.326	4.064	20	5		CIBDMN
Cc1cncc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000184412228	262019069	/nfs/dbraw/zinc/01/90/69/262019069.db2.gz	JQPZPEMVTHUYFB-KBPBESRZSA-N	0	1	299.374	4.018	20	5		CIBDMN
Cc1cc([C@H](C)NCc2csc([N+](=O)[O-])c2)c(C)s1	ZINC000037563052	326855478	/nfs/dbraw/zinc/85/54/78/326855478.db2.gz	SIXJKNZSWLBHOF-VIFPVBQESA-N	0	1	296.417	4.185	20	5		CIBDMN
CC(C)N(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-]	ZINC000302834830	333335510	/nfs/dbraw/zinc/33/55/10/333335510.db2.gz	XPVRBOHSQNWHLY-UHFFFAOYSA-N	0	1	284.359	4.005	20	5		CIBDMN
Cc1cccc(C)c1[C@@H](C)NCc1csc([N+](=O)[O-])c1	ZINC000546228664	334020786	/nfs/dbraw/zinc/02/07/86/334020786.db2.gz	PNFJHKVFSRNJMJ-GFCCVEGCSA-N	0	1	290.388	4.124	20	5		CIBDMN
Cc1cccc2c1[C@H](C)C[C@@H]2NCc1ccccc1[N+](=O)[O-]	ZINC000089512514	334346112	/nfs/dbraw/zinc/34/61/12/334346112.db2.gz	LIELTOLJOBDARN-CJNGLKHVSA-N	0	1	296.370	4.241	20	5		CIBDMN
Cc1cccc([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c1	ZINC000157217163	334764008	/nfs/dbraw/zinc/76/40/08/334764008.db2.gz	PXKUCBCCIICSRY-ZIAGYGMSSA-N	0	1	284.359	4.315	20	5		CIBDMN
C[C@H](NCc1sccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000193012697	335333852	/nfs/dbraw/zinc/33/38/52/335333852.db2.gz	NEYGUSSDIKRECM-VIFPVBQESA-N	0	1	296.779	4.161	20	5		CIBDMN
CC[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000051626147	522698741	/nfs/dbraw/zinc/69/87/41/522698741.db2.gz	KPJQCUDFPKIJDB-BBRMVZONSA-N	0	1	284.359	4.397	20	5		CIBDMN
C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccsc1	ZINC000061360583	525614304	/nfs/dbraw/zinc/61/43/04/525614304.db2.gz	GLOJGWMCLLCXGC-MNOVXSKESA-N	0	1	276.361	4.068	20	5		CIBDMN
CC[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccs1	ZINC000049529313	328367711	/nfs/dbraw/zinc/36/77/11/328367711.db2.gz	JUUSEEDTPRJRCC-DGCLKSJQSA-N	0	1	290.388	4.458	20	5		CIBDMN
C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1	ZINC000061027673	330427686	/nfs/dbraw/zinc/42/76/86/330427686.db2.gz	JEZNOVNVNPHSNZ-LBPRGKRZSA-N	0	1	296.326	4.192	20	5		CIBDMN
CCc1ccccc1CN[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000084200094	330485136	/nfs/dbraw/zinc/48/51/36/330485136.db2.gz	PQXZSCTUURIECA-ZDUSSCGKSA-N	0	1	284.359	4.008	20	5		CIBDMN
CN(Cc1c(Cl)cccc1[N+](=O)[O-])C1(C)CCCC1	ZINC000489865383	332070755	/nfs/dbraw/zinc/07/07/55/332070755.db2.gz	XLMDUPCVYCYTID-UHFFFAOYSA-N	0	1	282.771	4.013	20	5		CIBDMN
Cc1cccc(C)c1[C@H](C)NCc1ccccc1[N+](=O)[O-]	ZINC000544899150	333951728	/nfs/dbraw/zinc/95/17/28/333951728.db2.gz	YPHFTUFMSOGZGV-AWEZNQCLSA-N	0	1	284.359	4.062	20	5		CIBDMN
C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc(C2CC2)c1	ZINC000551063595	334237661	/nfs/dbraw/zinc/23/76/61/334237661.db2.gz	WDVBJYFRDIXKLR-CYBMUJFWSA-N	0	1	296.370	4.323	20	5		CIBDMN
Cc1cccc([C@H](C)NCc2ccccc2[N+](=O)[O-])c1C	ZINC000089512724	334346201	/nfs/dbraw/zinc/34/62/01/334346201.db2.gz	XEHPVOXZOGZIQS-AWEZNQCLSA-N	0	1	284.359	4.062	20	5		CIBDMN
C[C@H](NCc1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1	ZINC000178645238	335442946	/nfs/dbraw/zinc/44/29/46/335442946.db2.gz	BPHYRMSMUBYDFM-LBPRGKRZSA-N	0	1	296.326	4.192	20	5		CIBDMN
Cc1cc([C@H](C)NCc2ccccc2[N+](=O)[O-])c(C)s1	ZINC000037122816	525523515	/nfs/dbraw/zinc/52/35/15/525523515.db2.gz	GZSFOYADAMKPOB-NSHDSACASA-N	0	1	290.388	4.124	20	5		CIBDMN
C[C@@H](N[C@@H](C)c1ccsc1)c1ccccc1[N+](=O)[O-]	ZINC000061360584	525620271	/nfs/dbraw/zinc/62/02/71/525620271.db2.gz	GLOJGWMCLLCXGC-WDEREUQCSA-N	0	1	276.361	4.068	20	5		CIBDMN
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1	ZINC000036959938	525740860	/nfs/dbraw/zinc/74/08/60/525740860.db2.gz	PNKLSAZJXCAEQN-QWHCGFSZSA-N	0	1	288.347	4.216	20	5		CIBDMN
Cc1ccc([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])s1	ZINC000049159374	525935335	/nfs/dbraw/zinc/93/53/35/525935335.db2.gz	PFWLFBDHWCFIRC-RYUDHWBXSA-N	0	1	290.388	4.377	20	5		CIBDMN
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1	ZINC000036959936	525935432	/nfs/dbraw/zinc/93/54/32/525935432.db2.gz	PNKLSAZJXCAEQN-STQMWFEESA-N	0	1	288.347	4.216	20	5		CIBDMN
Cc1ccc([C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])s1	ZINC000049159383	525944003	/nfs/dbraw/zinc/94/40/03/525944003.db2.gz	PFWLFBDHWCFIRC-NEPJUHHUSA-N	0	1	290.388	4.377	20	5		CIBDMN
Cc1ccc2nc(SCc3cccc([N+](=O)[O-])c3)[nH]c2c1	ZINC000006506658	170207907	/nfs/dbraw/zinc/20/79/07/170207907.db2.gz	CAKHODWNGZPCGF-UHFFFAOYSA-N	0	1	299.355	4.072	20	5		CIBDMN
C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1	ZINC000020124314	171006260	/nfs/dbraw/zinc/00/62/60/171006260.db2.gz	YQEIWRNGMHGNOU-LLVKDONJSA-N	0	1	290.750	4.099	20	5		CIBDMN
C[C@@H](N[C@@H](C)c1cccc(F)c1)c1ccccc1[N+](=O)[O-]	ZINC000020526239	171239588	/nfs/dbraw/zinc/23/95/88/171239588.db2.gz	SFFQBAPTEIRPFF-NWDGAFQWSA-N	0	1	288.322	4.146	20	5		CIBDMN
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC=C(c2ccco2)C1	ZINC000352543817	227049766	/nfs/dbraw/zinc/04/97/66/227049766.db2.gz	KECPEJKLXMGFGI-CYBMUJFWSA-N	0	1	298.342	4.038	20	5		CIBDMN
C[C@H](N[C@@H](C)c1ccccc1F)c1ccc([N+](=O)[O-])cc1	ZINC000037764727	260116929	/nfs/dbraw/zinc/11/69/29/260116929.db2.gz	PKHNQQMYGBONHC-RYUDHWBXSA-N	0	1	288.322	4.146	20	5		CIBDMN
C[C@H](Nc1cc2c(cn1)CCCC2)c1ccc([N+](=O)[O-])cc1	ZINC000462950709	261723109	/nfs/dbraw/zinc/72/31/09/261723109.db2.gz	PCTDKSXSWGEONQ-LBPRGKRZSA-N	0	1	297.358	4.042	20	5		CIBDMN
CCc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])s1	ZINC000050015636	328381846	/nfs/dbraw/zinc/38/18/46/328381846.db2.gz	JPDIPDNKPODLHJ-LLVKDONJSA-N	0	1	290.388	4.070	20	5		CIBDMN
CC(C)=CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000479272674	331723247	/nfs/dbraw/zinc/72/32/47/331723247.db2.gz	RJTOSNROOYBOBT-GOSISDBHSA-N	0	1	296.370	4.240	20	5		CIBDMN
Cc1cccc([C@H](C)N(C)Cc2ccccc2[N+](=O)[O-])c1	ZINC000489070725	332040310	/nfs/dbraw/zinc/04/03/10/332040310.db2.gz	IOFXIHYTZZDNMT-AWEZNQCLSA-N	0	1	284.359	4.096	20	5		CIBDMN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H]1c1ccccc1	ZINC000490034276	332077528	/nfs/dbraw/zinc/07/75/28/332077528.db2.gz	VBEVBSUPAHBOCK-KDOFPFPSSA-N	0	1	296.370	4.411	20	5		CIBDMN
C[C@H](C1CC1)N(Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1	ZINC000547412772	334086630	/nfs/dbraw/zinc/08/66/30/334086630.db2.gz	ARQLYKBNVUJURI-SNVBAGLBSA-N	0	1	294.782	4.011	20	5		CIBDMN
Cc1ccc([C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])s1	ZINC000049159369	525742827	/nfs/dbraw/zinc/74/28/27/525742827.db2.gz	PFWLFBDHWCFIRC-NWDGAFQWSA-N	0	1	290.388	4.377	20	5		CIBDMN
Cc1ccc([C@@H](C)N[C@H](C)c2ccsc2)cc1[N+](=O)[O-]	ZINC000061360961	525748064	/nfs/dbraw/zinc/74/80/64/525748064.db2.gz	PEUWULRUXFGNBO-VXGBXAGGSA-N	0	1	290.388	4.377	20	5		CIBDMN
C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccs1	ZINC000020526240	171239280	/nfs/dbraw/zinc/23/92/80/171239280.db2.gz	LZEIAOQFMOYLTO-WDEREUQCSA-N	0	1	276.361	4.068	20	5		CIBDMN
C[C@H](N[C@@H](C)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1	ZINC000037177127	260072706	/nfs/dbraw/zinc/07/27/06/260072706.db2.gz	MVWWYGIVZXDWMP-RYUDHWBXSA-N	0	1	288.322	4.146	20	5		CIBDMN
Cc1cncc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000184412246	262019305	/nfs/dbraw/zinc/01/93/05/262019305.db2.gz	JQPZPEMVTHUYFB-ZIAGYGMSSA-N	0	1	299.374	4.018	20	5		CIBDMN
Cc1ccnc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000285990302	263096738	/nfs/dbraw/zinc/09/67/38/263096738.db2.gz	GZPLFTURWSSXMQ-KGLIPLIRSA-N	0	1	299.374	4.018	20	5		CIBDMN
O=[N+]([O-])c1ccc(O)cc1/C=C\c1ccc2ccccc2n1	ZINC000433801491	330631565	/nfs/dbraw/zinc/63/15/65/330631565.db2.gz	KSJMFGLUCCDSRJ-VURMDHGXSA-N	0	1	292.294	4.019	20	5		CIBDMN
CC[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc(C)c1	ZINC000336846465	335120908	/nfs/dbraw/zinc/12/09/08/335120908.db2.gz	AESXYUHXYTXKQZ-INIZCTEOSA-N	0	1	284.359	4.144	20	5		CIBDMN
C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1	ZINC000072727126	333955528	/nfs/dbraw/zinc/95/55/28/333955528.db2.gz	JKEOKQINVOVOPM-GFCCVEGCSA-N	0	1	296.326	4.192	20	5		CIBDMN
Cc1cccc2c1[C@@H](C)C[C@H]2NCc1ccccc1[N+](=O)[O-]	ZINC000089512522	334346186	/nfs/dbraw/zinc/34/61/86/334346186.db2.gz	LIELTOLJOBDARN-XJKSGUPXSA-N	0	1	296.370	4.241	20	5		CIBDMN
Cc1cc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)o1	ZINC000037775665	525525339	/nfs/dbraw/zinc/52/53/39/525525339.db2.gz	HAUFIKJFGJAHOC-RYUDHWBXSA-N	0	1	288.347	4.216	20	5		CIBDMN
C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccsc1	ZINC000061360582	525535311	/nfs/dbraw/zinc/53/53/11/525535311.db2.gz	GLOJGWMCLLCXGC-QWRGUYRKSA-N	0	1	276.361	4.068	20	5		CIBDMN
Cc1ccc([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])s1	ZINC000049159378	525745802	/nfs/dbraw/zinc/74/58/02/525745802.db2.gz	PFWLFBDHWCFIRC-VXGBXAGGSA-N	0	1	290.388	4.377	20	5		CIBDMN
C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl	ZINC000020124123	171005771	/nfs/dbraw/zinc/00/57/71/171005771.db2.gz	NAZVPJRZSXRGLL-NSHDSACASA-N	0	1	290.750	4.099	20	5		CIBDMN
C[C@@H](N[C@@H](C)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1	ZINC000020148080	171035610	/nfs/dbraw/zinc/03/56/10/171035610.db2.gz	KWSXSNSMEQOGIW-NWDGAFQWSA-N	0	1	288.322	4.146	20	5		CIBDMN
Cc1ccccc1[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000020526177	171238889	/nfs/dbraw/zinc/23/88/89/171238889.db2.gz	PQUFIAQNGGSYKN-UONOGXRCSA-N	0	1	284.359	4.315	20	5		CIBDMN
C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000020526130	171238950	/nfs/dbraw/zinc/23/89/50/171238950.db2.gz	OEKQTOUKUGQPAI-NEPJUHHUSA-N	0	1	288.322	4.146	20	5		CIBDMN
C[C@@H](N[C@@H](C)c1ccccc1)c1ccccc1[N+](=O)[O-]	ZINC000020525899	171239070	/nfs/dbraw/zinc/23/90/70/171239070.db2.gz	WWLAAIFHZBULEY-QWHCGFSZSA-N	0	1	270.332	4.007	20	5		CIBDMN
C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(F)c1	ZINC000020526236	171239360	/nfs/dbraw/zinc/23/93/60/171239360.db2.gz	SFFQBAPTEIRPFF-NEPJUHHUSA-N	0	1	288.322	4.146	20	5		CIBDMN
C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1	ZINC000037177129	260072912	/nfs/dbraw/zinc/07/29/12/260072912.db2.gz	MVWWYGIVZXDWMP-NWDGAFQWSA-N	0	1	288.322	4.146	20	5		CIBDMN
Cc1cncc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000184412212	262018849	/nfs/dbraw/zinc/01/88/49/262018849.db2.gz	JQPZPEMVTHUYFB-KGLIPLIRSA-N	0	1	299.374	4.018	20	5		CIBDMN
Cc1cncc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000184412264	262018989	/nfs/dbraw/zinc/01/89/89/262018989.db2.gz	JQPZPEMVTHUYFB-UONOGXRCSA-N	0	1	299.374	4.018	20	5		CIBDMN
CC[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccs1	ZINC000049529312	328367790	/nfs/dbraw/zinc/36/77/90/328367790.db2.gz	JUUSEEDTPRJRCC-YPMHNXCESA-N	0	1	290.388	4.458	20	5		CIBDMN
CCc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])s1	ZINC000050015637	328381746	/nfs/dbraw/zinc/38/17/46/328381746.db2.gz	JPDIPDNKPODLHJ-NSHDSACASA-N	0	1	290.388	4.070	20	5		CIBDMN
CCC[C@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1	ZINC000037562946	326855565	/nfs/dbraw/zinc/85/55/65/326855565.db2.gz	CFZULZZTRUNMNN-AWEZNQCLSA-N	0	1	290.388	4.287	20	5		CIBDMN
Cc1cccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1	ZINC000533081114	330329821	/nfs/dbraw/zinc/32/98/21/330329821.db2.gz	HSVFIZYNSFGVHM-UHFFFAOYSA-N	0	1	296.370	4.068	20	5		CIBDMN
C[C@@H](NCc1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1	ZINC000119708535	330378930	/nfs/dbraw/zinc/37/89/30/330378930.db2.gz	XTQDWTPZPWNAKH-GFCCVEGCSA-N	0	1	296.326	4.192	20	5		CIBDMN
CCCc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1	ZINC000314995065	330469930	/nfs/dbraw/zinc/46/99/30/330469930.db2.gz	DCHQWRRIYHKOPC-CQSZACIVSA-N	0	1	298.386	4.398	20	5		CIBDMN
CCc1ccccc1CNC(C)(C)c1ccccc1[N+](=O)[O-]	ZINC000429253126	330541189	/nfs/dbraw/zinc/54/11/89/330541189.db2.gz	ABOPYQUNJQSQJA-UHFFFAOYSA-N	0	1	298.386	4.182	20	5		CIBDMN
CCC[C@@]1(C)CCCN(Cc2csc([N+](=O)[O-])c2)C1	ZINC000464836113	331370446	/nfs/dbraw/zinc/37/04/46/331370446.db2.gz	JSAIBBNCJFVMPR-AWEZNQCLSA-N	0	1	282.409	4.059	20	5		CIBDMN
Cc1ccccc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000195732295	333262556	/nfs/dbraw/zinc/26/25/56/333262556.db2.gz	RQHICNZWLHMLEK-UHFFFAOYSA-N	0	1	296.370	4.068	20	5		CIBDMN
CC[C@@H](c1ccccc1)N(C)Cc1ccccc1[N+](=O)[O-]	ZINC000195732358	333262600	/nfs/dbraw/zinc/26/26/00/333262600.db2.gz	SPYCFRFQMIXWGA-INIZCTEOSA-N	0	1	284.359	4.178	20	5		CIBDMN
CC[C@@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000522536253	333289200	/nfs/dbraw/zinc/28/92/00/333289200.db2.gz	DTKKYFLNOGZJEH-CYBMUJFWSA-N	0	1	282.771	4.013	20	5		CIBDMN
Cc1ccc(C)c([C@@H](C)N(C)Cc2ccccc2[N+](=O)[O-])c1	ZINC000523442028	333327127	/nfs/dbraw/zinc/32/71/27/333327127.db2.gz	HQHYBKPWDLCBLJ-OAHLLOKOSA-N	0	1	298.386	4.405	20	5		CIBDMN
Cc1cc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)o1	ZINC000044729616	525525383	/nfs/dbraw/zinc/52/53/83/525525383.db2.gz	DMESEJLSBBWABB-RYUDHWBXSA-N	0	1	288.347	4.216	20	5		CIBDMN
CC[C@@H](N[C@@H](C)c1cc(C)ccn1)c1cccc([N+](=O)[O-])c1	ZINC000353517012	529200116	/nfs/dbraw/zinc/20/01/16/529200116.db2.gz	HMHGPAQCJHBFSG-XJKSGUPXSA-N	0	1	299.374	4.100	20	5		CIBDMN
C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1Cl	ZINC000020124120	171005885	/nfs/dbraw/zinc/00/58/85/171005885.db2.gz	SIWIMLAXIOWALJ-LLVKDONJSA-N	0	1	290.750	4.099	20	5		CIBDMN
C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1	ZINC000020148078	171035061	/nfs/dbraw/zinc/03/50/61/171035061.db2.gz	KWSXSNSMEQOGIW-RYUDHWBXSA-N	0	1	288.322	4.146	20	5		CIBDMN
Cc1ccccc1[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000020526175	171239109	/nfs/dbraw/zinc/23/91/09/171239109.db2.gz	PQUFIAQNGGSYKN-KBPBESRZSA-N	0	1	284.359	4.315	20	5		CIBDMN
Cc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1C	ZINC000050015545	328381895	/nfs/dbraw/zinc/38/18/95/328381895.db2.gz	PNJANOAXJPJWNQ-CQSZACIVSA-N	0	1	284.359	4.062	20	5		CIBDMN
C[C@H]1CC2(CCC2)CN1Cc1c(Cl)cccc1[N+](=O)[O-]	ZINC000433244237	330214233	/nfs/dbraw/zinc/21/42/33/330214233.db2.gz	FGBVCTFMAJNFIU-NSHDSACASA-N	0	1	294.782	4.013	20	5		CIBDMN
C[C@H](Nc1cc2c(cn1)CCCC2)c1cccc([N+](=O)[O-])c1	ZINC000462959941	331335880	/nfs/dbraw/zinc/33/58/80/331335880.db2.gz	XHYOFQOPUUQNOZ-LBPRGKRZSA-N	0	1	297.358	4.042	20	5		CIBDMN
CCc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1	ZINC000492391715	332395505	/nfs/dbraw/zinc/39/55/05/332395505.db2.gz	ANJDWJHOGDHQIR-UHFFFAOYSA-N	0	1	298.386	4.182	20	5		CIBDMN
CC(C)c1ccc(-c2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-]	ZINC000513867739	333044700	/nfs/dbraw/zinc/04/47/00/333044700.db2.gz	KWVOKGZFFIWLOT-UHFFFAOYSA-N	0	1	299.305	4.401	20	5		CIBDMN
O=[N+]([O-])c1ccccc1CNCc1cc2ccccc2s1	ZINC000237938471	333382296	/nfs/dbraw/zinc/38/22/96/333382296.db2.gz	RPYKJDHYWAGZAB-UHFFFAOYSA-N	0	1	298.367	4.099	20	5		CIBDMN
C[C@H](NCc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1	ZINC000037495495	333533920	/nfs/dbraw/zinc/53/39/20/333533920.db2.gz	PZLJCZYVSFZYMX-NSHDSACASA-N	0	1	290.750	4.099	20	5		CIBDMN
C[C@H](NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	ZINC000020209956	171073883	/nfs/dbraw/zinc/07/38/83/171073883.db2.gz	ORBAGYDEIQSAFY-NSHDSACASA-N	0	1	290.750	4.099	20	5		CIBDMN
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1	ZINC000037403748	173180035	/nfs/dbraw/zinc/18/00/35/173180035.db2.gz	VVHDIOMKLXYSOK-UHFFFAOYSA-N	0	1	282.771	4.013	20	5		CIBDMN
O=[N+]([O-])c1cc(CN2CCCC3(CCCCC3)C2)cs1	ZINC000522072670	261515074	/nfs/dbraw/zinc/51/50/74/261515074.db2.gz	YSUSTRFXBJSEMD-UHFFFAOYSA-N	0	1	294.420	4.203	20	5		CIBDMN
C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	ZINC000050442989	328439744	/nfs/dbraw/zinc/43/97/44/328439744.db2.gz	RULQNGHCVCQARX-NSHDSACASA-N	0	1	290.750	4.099	20	5		CIBDMN
Cc1ccc2c(c1)[C@@H](NCc1ccccc1[N+](=O)[O-])CCC2	ZINC000133083718	329650490	/nfs/dbraw/zinc/65/04/90/329650490.db2.gz	VPTZDYGNEPNRQQ-KRWDZBQOSA-N	0	1	296.370	4.070	20	5		CIBDMN
Cc1cccc(C)c1CNC(C)(C)c1ccccc1[N+](=O)[O-]	ZINC000429268622	330541517	/nfs/dbraw/zinc/54/15/17/330541517.db2.gz	SZDLLMNHFVFUFR-UHFFFAOYSA-N	0	1	298.386	4.237	20	5		CIBDMN
CCC[C@]1(C)CCCN(Cc2csc([N+](=O)[O-])c2)C1	ZINC000464836125	331370554	/nfs/dbraw/zinc/37/05/54/331370554.db2.gz	JSAIBBNCJFVMPR-CQSZACIVSA-N	0	1	282.409	4.059	20	5		CIBDMN
CC[C@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000522536254	333289221	/nfs/dbraw/zinc/28/92/21/333289221.db2.gz	DTKKYFLNOGZJEH-ZDUSSCGKSA-N	0	1	282.771	4.013	20	5		CIBDMN
CCc1ccc(C(C)(C)NCc2ccccc2[N+](=O)[O-])cc1	ZINC000538256006	333581640	/nfs/dbraw/zinc/58/16/40/333581640.db2.gz	ADNKFSBRPBPPHT-UHFFFAOYSA-N	0	1	298.386	4.182	20	5		CIBDMN
Cc1cccc(C)c1[C@H](C)NCc1csc([N+](=O)[O-])c1	ZINC000546228665	334020754	/nfs/dbraw/zinc/02/07/54/334020754.db2.gz	PNFJHKVFSRNJMJ-LBPRGKRZSA-N	0	1	290.388	4.124	20	5		CIBDMN
C[C@@H](NCc1coc2ccccc12)c1ccc([N+](=O)[O-])cc1	ZINC000550826861	334229477	/nfs/dbraw/zinc/22/94/77/334229477.db2.gz	IZOGMOBIYSEXPK-GFCCVEGCSA-N	0	1	296.326	4.192	20	5		CIBDMN
Cc1cccc2c1[C@H](C)C[C@H]2NCc1ccccc1[N+](=O)[O-]	ZINC000089512520	334346176	/nfs/dbraw/zinc/34/61/76/334346176.db2.gz	LIELTOLJOBDARN-CZUORRHYSA-N	0	1	296.370	4.241	20	5		CIBDMN
C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccsc1	ZINC000061360585	525661688	/nfs/dbraw/zinc/66/16/88/525661688.db2.gz	GLOJGWMCLLCXGC-GHMZBOCLSA-N	0	1	276.361	4.068	20	5		CIBDMN
Cc1ccc([C@H](C)N[C@@H](C)c2ccsc2)cc1[N+](=O)[O-]	ZINC000061360960	525934150	/nfs/dbraw/zinc/93/41/50/525934150.db2.gz	PEUWULRUXFGNBO-RYUDHWBXSA-N	0	1	290.388	4.377	20	5		CIBDMN
C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1	ZINC000020124312	171006522	/nfs/dbraw/zinc/00/65/22/171006522.db2.gz	QHODSLPCFKFCKE-LLVKDONJSA-N	0	1	290.750	4.099	20	5		CIBDMN
C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000020525896	171238988	/nfs/dbraw/zinc/23/89/88/171238988.db2.gz	WWLAAIFHZBULEY-OLZOCXBDSA-N	0	1	270.332	4.007	20	5		CIBDMN
CC[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(C)cc1	ZINC000034996292	171924727	/nfs/dbraw/zinc/92/47/27/171924727.db2.gz	HMYJCIZEOIDIDY-INIZCTEOSA-N	0	1	284.359	4.144	20	5		CIBDMN
Cc1ccc(C)c([C@@H](C)NCc2ccccc2[N+](=O)[O-])c1	ZINC000035010537	171927706	/nfs/dbraw/zinc/92/77/06/171927706.db2.gz	HEMPBLKWBNHNDI-CQSZACIVSA-N	0	1	284.359	4.062	20	5		CIBDMN
Cc1ccnc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000285990299	263096779	/nfs/dbraw/zinc/09/67/79/263096779.db2.gz	GZPLFTURWSSXMQ-KBPBESRZSA-N	0	1	299.374	4.018	20	5		CIBDMN
O=[N+]([O-])c1ccccc1CNCc1csc2ccccc12	ZINC000048068928	328040837	/nfs/dbraw/zinc/04/08/37/328040837.db2.gz	CKLVQZNBHKOJSZ-UHFFFAOYSA-N	0	1	298.367	4.099	20	5		CIBDMN
Cc1cccc(C)c1CN[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000160304659	327605590	/nfs/dbraw/zinc/60/55/90/327605590.db2.gz	QPLHQEFRWGKPJR-AWEZNQCLSA-N	0	1	284.359	4.062	20	5		CIBDMN
C[C@H](NCc1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1	ZINC000119708373	330378956	/nfs/dbraw/zinc/37/89/56/330378956.db2.gz	XTQDWTPZPWNAKH-LBPRGKRZSA-N	0	1	296.326	4.192	20	5		CIBDMN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]1c1ccccc1	ZINC000490034278	332077481	/nfs/dbraw/zinc/07/74/81/332077481.db2.gz	VBEVBSUPAHBOCK-KSSFIOAISA-N	0	1	296.370	4.411	20	5		CIBDMN
O=[N+]([O-])c1cccc(Cl)c1CN(C1CC1)C1CCCC1	ZINC000548623903	334164177	/nfs/dbraw/zinc/16/41/77/334164177.db2.gz	FBAPHLKABXTGKN-UHFFFAOYSA-N	0	1	294.782	4.155	20	5		CIBDMN
C[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc(C2CC2)c1	ZINC000551063596	334237779	/nfs/dbraw/zinc/23/77/79/334237779.db2.gz	WDVBJYFRDIXKLR-ZDUSSCGKSA-N	0	1	296.370	4.323	20	5		CIBDMN
Cc1cccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])c1C	ZINC000089512722	334346168	/nfs/dbraw/zinc/34/61/68/334346168.db2.gz	XEHPVOXZOGZIQS-CQSZACIVSA-N	0	1	284.359	4.062	20	5		CIBDMN
CC1CCC(N(Cc2csc([N+](=O)[O-])c2)C2CC2)CC1	ZINC000339932895	520937328	/nfs/dbraw/zinc/93/73/28/520937328.db2.gz	ZJFQTCDBFBAQAA-UHFFFAOYSA-N	0	1	294.420	4.199	20	5		CIBDMN
Cc1cc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)o1	ZINC000037775666	525475445	/nfs/dbraw/zinc/47/54/45/525475445.db2.gz	HAUFIKJFGJAHOC-VXGBXAGGSA-N	0	1	288.347	4.216	20	5		CIBDMN
Cc1ccc([C@@H](C)N[C@@H](C)c2ccsc2)cc1[N+](=O)[O-]	ZINC000061360959	525741272	/nfs/dbraw/zinc/74/12/72/525741272.db2.gz	PEUWULRUXFGNBO-NEPJUHHUSA-N	0	1	290.388	4.377	20	5		CIBDMN
C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl	ZINC000020124122	171005590	/nfs/dbraw/zinc/00/55/90/171005590.db2.gz	NAZVPJRZSXRGLL-LLVKDONJSA-N	0	1	290.750	4.099	20	5		CIBDMN
C[C@@H](NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	ZINC000020209954	171074209	/nfs/dbraw/zinc/07/42/09/171074209.db2.gz	ORBAGYDEIQSAFY-LLVKDONJSA-N	0	1	290.750	4.099	20	5		CIBDMN
Cc1ccnc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000285990308	263096921	/nfs/dbraw/zinc/09/69/21/263096921.db2.gz	GZPLFTURWSSXMQ-ZIAGYGMSSA-N	0	1	299.374	4.018	20	5		CIBDMN
CC(C)(C)[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000315523898	330476993	/nfs/dbraw/zinc/47/69/93/330476993.db2.gz	UXJFZMPPDUHMAX-KRWDZBQOSA-N	0	1	298.386	4.472	20	5		CIBDMN
O=[N+]([O-])c1ccc(CN(C2CCC2)C2CCC2)c(Cl)c1	ZINC000429141615	330539035	/nfs/dbraw/zinc/53/90/35/330539035.db2.gz	KWDIUNUNJYFOFP-UHFFFAOYSA-N	0	1	294.782	4.155	20	5		CIBDMN
CC[C@H](c1ccccc1)N(C)Cc1ccccc1[N+](=O)[O-]	ZINC000195732359	333262594	/nfs/dbraw/zinc/26/25/94/333262594.db2.gz	SPYCFRFQMIXWGA-MRXNPFEDSA-N	0	1	284.359	4.178	20	5		CIBDMN
C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1	ZINC000036992027	333452358	/nfs/dbraw/zinc/45/23/58/333452358.db2.gz	NUJLRKAPPMVKGO-VIFPVBQESA-N	0	1	296.779	4.161	20	5		CIBDMN
CCc1ccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])s1	ZINC000231664972	333888330	/nfs/dbraw/zinc/88/83/30/333888330.db2.gz	PVZDTWUMNYADGA-LLVKDONJSA-N	0	1	290.388	4.070	20	5		CIBDMN
C[C@H](NCc1coc2ccccc12)c1ccc([N+](=O)[O-])cc1	ZINC000550826862	334229499	/nfs/dbraw/zinc/22/94/99/334229499.db2.gz	IZOGMOBIYSEXPK-LBPRGKRZSA-N	0	1	296.326	4.192	20	5		CIBDMN
CC[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000051626149	522915185	/nfs/dbraw/zinc/91/51/85/522915185.db2.gz	KPJQCUDFPKIJDB-XJKSGUPXSA-N	0	1	284.359	4.397	20	5		CIBDMN
C[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1	ZINC000020124315	171006075	/nfs/dbraw/zinc/00/60/75/171006075.db2.gz	YQEIWRNGMHGNOU-NSHDSACASA-N	0	1	290.750	4.099	20	5		CIBDMN
C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000020525898	171238899	/nfs/dbraw/zinc/23/88/99/171238899.db2.gz	WWLAAIFHZBULEY-CHWSQXEVSA-N	0	1	270.332	4.007	20	5		CIBDMN
Cc1ccccc1[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000020526176	171239034	/nfs/dbraw/zinc/23/90/34/171239034.db2.gz	PQUFIAQNGGSYKN-ZIAGYGMSSA-N	0	1	284.359	4.315	20	5		CIBDMN
C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccs1	ZINC000020526242	171239335	/nfs/dbraw/zinc/23/93/35/171239335.db2.gz	LZEIAOQFMOYLTO-GHMZBOCLSA-N	0	1	276.361	4.068	20	5		CIBDMN
C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccs1	ZINC000020526241	171239535	/nfs/dbraw/zinc/23/95/35/171239535.db2.gz	LZEIAOQFMOYLTO-QWRGUYRKSA-N	0	1	276.361	4.068	20	5		CIBDMN
C[C@@H](NCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1	ZINC000053148021	327711308	/nfs/dbraw/zinc/71/13/08/327711308.db2.gz	VKPXGYCPYUIRRY-LLVKDONJSA-N	0	1	290.750	4.099	20	5		CIBDMN
C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1	ZINC000049963041	328379795	/nfs/dbraw/zinc/37/97/95/328379795.db2.gz	SMPGMZOLXTWJCF-NSHDSACASA-N	0	1	290.750	4.099	20	5		CIBDMN
O=[N+]([O-])c1ccccc1CN[C@H](CC1CC1)c1ccccc1	ZINC000536804783	329547818	/nfs/dbraw/zinc/54/78/18/329547818.db2.gz	DKHVWLKMWTYEEE-QGZVFWFLSA-N	0	1	296.370	4.226	20	5		CIBDMN
C[C@@H](Nc1cc2c(cn1)CCCC2)c1cccc([N+](=O)[O-])c1	ZINC000462959940	331335988	/nfs/dbraw/zinc/33/59/88/331335988.db2.gz	XHYOFQOPUUQNOZ-GFCCVEGCSA-N	0	1	297.358	4.042	20	5		CIBDMN
CC(C)C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000387329754	336192700	/nfs/dbraw/zinc/19/27/00/336192700.db2.gz	ADMFCDFXBSYYEA-QGZVFWFLSA-N	0	1	298.386	4.472	20	5		CIBDMN
C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1	ZINC000020148079	171035291	/nfs/dbraw/zinc/03/52/91/171035291.db2.gz	KWSXSNSMEQOGIW-VXGBXAGGSA-N	0	1	288.322	4.146	20	5		CIBDMN
C[C@@H](N[C@@H](C)c1cccs1)c1ccccc1[N+](=O)[O-]	ZINC000020526243	171239561	/nfs/dbraw/zinc/23/95/61/171239561.db2.gz	LZEIAOQFMOYLTO-MNOVXSKESA-N	0	1	276.361	4.068	20	5		CIBDMN
C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(F)c1	ZINC000020526237	171239570	/nfs/dbraw/zinc/23/95/70/171239570.db2.gz	SFFQBAPTEIRPFF-RYUDHWBXSA-N	0	1	288.322	4.146	20	5		CIBDMN
C[C@H](c1ccccc1[N+](=O)[O-])N1CCC=C(c2ccco2)C1	ZINC000352570364	227071656	/nfs/dbraw/zinc/07/16/56/227071656.db2.gz	GMCOWTGPYXGGNA-CYBMUJFWSA-N	0	1	298.342	4.038	20	5		CIBDMN
Cc1ccc([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1	ZINC000037770198	326861179	/nfs/dbraw/zinc/86/11/79/326861179.db2.gz	UXOGBIOYSSUVSJ-ZIAGYGMSSA-N	0	1	284.359	4.315	20	5		CIBDMN
O=[N+]([O-])c1ccccc1CNCc1ccc2sccc2c1	ZINC000562064687	327444727	/nfs/dbraw/zinc/44/47/27/327444727.db2.gz	DMTSMBJVEAQOII-UHFFFAOYSA-N	0	1	298.367	4.099	20	5		CIBDMN
Cc1ccc2c(c1)[C@H](NCc1ccccc1[N+](=O)[O-])CCC2	ZINC000133083540	329650596	/nfs/dbraw/zinc/65/05/96/329650596.db2.gz	VPTZDYGNEPNRQQ-QGZVFWFLSA-N	0	1	296.370	4.070	20	5		CIBDMN
C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(C2CC2)cc1	ZINC000419342995	329718709	/nfs/dbraw/zinc/71/87/09/329718709.db2.gz	QHCVYNYZOSIYFV-ZDUSSCGKSA-N	0	1	296.370	4.323	20	5		CIBDMN
C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1	ZINC000035253669	330244472	/nfs/dbraw/zinc/24/44/72/330244472.db2.gz	VBZIWBRLKKXTJE-VIFPVBQESA-N	0	1	296.779	4.161	20	5		CIBDMN
CC(C)c1ccc(CNCc2csc([N+](=O)[O-])c2)cc1	ZINC000045041658	330337438	/nfs/dbraw/zinc/33/74/38/330337438.db2.gz	UUYGKRXEXYKRGU-UHFFFAOYSA-N	0	1	290.388	4.070	20	5		CIBDMN
CC(C)C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000441436616	330768575	/nfs/dbraw/zinc/76/85/75/330768575.db2.gz	PDRGJXZNZVFZHS-UHFFFAOYSA-N	0	1	296.798	4.116	20	5		CIBDMN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]1c1ccccc1	ZINC000490034270	332077453	/nfs/dbraw/zinc/07/74/53/332077453.db2.gz	VBEVBSUPAHBOCK-KBXCAEBGSA-N	0	1	296.370	4.411	20	5		CIBDMN
CC[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc(C)c1	ZINC000336846466	335120950	/nfs/dbraw/zinc/12/09/50/335120950.db2.gz	AESXYUHXYTXKQZ-MRXNPFEDSA-N	0	1	284.359	4.144	20	5		CIBDMN
CCc1ccc([C@@H](CC)NCc2ccccc2[N+](=O)[O-])cc1	ZINC000315630081	333382803	/nfs/dbraw/zinc/38/28/03/333382803.db2.gz	USUFCURJLDQHNX-QGZVFWFLSA-N	0	1	298.386	4.398	20	5		CIBDMN
C[C@H](NCc1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1	ZINC000071307274	333853407	/nfs/dbraw/zinc/85/34/07/333853407.db2.gz	PPUNNTFODKYOOY-VIFPVBQESA-N	0	1	296.779	4.161	20	5		CIBDMN