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]([NH2+][C@@H](C)c1ccccc1F)c1ccccc1[N+](=O)[O-]	ZINC000037764214	260116770	/nfs/dbraw/zinc/11/67/70/260116770.db2.gz	KVMJXFUACQEDKT-NWDGAFQWSA-N	1	1	288.322	4.146	20	5		CIBDMO
CCc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1	ZINC000155819684	261108206	/nfs/dbraw/zinc/10/82/06/261108206.db2.gz	OOBZINMSLNGLRB-VXGBXAGGSA-N	1	1	288.347	4.162	20	5		CIBDMO
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(C1)CCCCC2	ZINC000303953682	328369705	/nfs/dbraw/zinc/36/97/05/328369705.db2.gz	WLSXLZZHCZDOJW-CQSZACIVSA-N	1	1	288.391	4.312	20	5		CIBDMO
CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000303941039	328370893	/nfs/dbraw/zinc/37/08/93/328370893.db2.gz	SRQBJPHPPTYXMI-QGZVFWFLSA-N	1	1	298.386	4.048	20	5		CIBDMO
C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1Cc2ccccc2C1	ZINC000470171867	331473558	/nfs/dbraw/zinc/47/35/58/331473558.db2.gz	PLZDAPKZVCMSOL-NTEUORMPSA-N	1	1	294.354	4.014	20	5		CIBDMO
Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])oc1C	ZINC000502403879	332656898	/nfs/dbraw/zinc/65/68/98/332656898.db2.gz	FQOGSNAWIZMMFE-NWDGAFQWSA-N	1	1	288.347	4.216	20	5		CIBDMO
Cc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1	ZINC000549169508	334186859	/nfs/dbraw/zinc/18/68/59/334186859.db2.gz	ZPWRFNWHSOCOAH-UHFFFAOYSA-N	1	1	296.370	4.068	20	5		CIBDMO
CC[C@@H](Nc1cc(C2CC2)cc[nH+]1)c1cccc([N+](=O)[O-])c1	ZINC000577666227	335387237	/nfs/dbraw/zinc/38/72/37/335387237.db2.gz	RWEOYXYHGVLIOB-MRXNPFEDSA-N	1	1	297.358	4.430	20	5		CIBDMO
C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC=C(c2ccco2)C1	ZINC000352570365	227071584	/nfs/dbraw/zinc/07/15/84/227071584.db2.gz	GMCOWTGPYXGGNA-ZDUSSCGKSA-N	1	1	298.342	4.038	20	5		CIBDMO
CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1	ZINC000497359962	262147203	/nfs/dbraw/zinc/14/72/03/262147203.db2.gz	BUIRYIDDHUWFDH-GOSISDBHSA-N	1	1	298.386	4.424	20	5		CIBDMO
Cc1cccc(C[N@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])c1	ZINC000488399646	332003975	/nfs/dbraw/zinc/00/39/75/332003975.db2.gz	QPXVLHYZLMKRCI-CQSZACIVSA-N	1	1	284.359	4.096	20	5		CIBDMO
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H]1c1ccccc1	ZINC000490034279	332077602	/nfs/dbraw/zinc/07/76/02/332077602.db2.gz	VBEVBSUPAHBOCK-RDTXWAMCSA-N	1	1	296.370	4.411	20	5		CIBDMO
CC(C)C[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1	ZINC000521189531	333114297	/nfs/dbraw/zinc/11/42/97/333114297.db2.gz	GKKBRDZMZCPHLK-UHFFFAOYSA-N	1	1	298.386	4.253	20	5		CIBDMO
CC[N@@H+](Cc1ccc(C)cc1)Cc1cccc([N+](=O)[O-])c1C	ZINC000521859779	333194065	/nfs/dbraw/zinc/19/40/65/333194065.db2.gz	SFGBIZOOFUEUGF-UHFFFAOYSA-N	1	1	298.386	4.234	20	5		CIBDMO
Cc1cc(C)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)c1	ZINC000195689422	333260588	/nfs/dbraw/zinc/26/05/88/333260588.db2.gz	CAESKEMQJRMGOF-UHFFFAOYSA-N	1	1	298.386	4.152	20	5		CIBDMO
CC[C@@H]([NH2+]Cc1ccc(Cl)o1)c1cccc([N+](=O)[O-])c1	ZINC000344764772	529183809	/nfs/dbraw/zinc/18/38/09/529183809.db2.gz	OKBDEOWQYSDDCP-CYBMUJFWSA-N	1	1	294.738	4.082	20	5		CIBDMO
C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1F	ZINC000037764216	260116597	/nfs/dbraw/zinc/11/65/97/260116597.db2.gz	KVMJXFUACQEDKT-VXGBXAGGSA-N	1	1	288.322	4.146	20	5		CIBDMO
C[C@@H]([NH2+]Cc1ccsc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000312552830	260148578	/nfs/dbraw/zinc/14/85/78/260148578.db2.gz	CSQZOLKXJAMMLB-SECBINFHSA-N	1	1	296.779	4.161	20	5		CIBDMO
C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12	ZINC000521190183	260378375	/nfs/dbraw/zinc/37/83/75/260378375.db2.gz	OQMUPOPKKMFXDS-KWCYVHTRSA-N	1	1	294.420	4.057	20	5		CIBDMO
CCc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1	ZINC000155819567	261107879	/nfs/dbraw/zinc/10/78/79/261107879.db2.gz	OOBZINMSLNGLRB-RYUDHWBXSA-N	1	1	288.347	4.162	20	5		CIBDMO
CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000497358747	262145953	/nfs/dbraw/zinc/14/59/53/262145953.db2.gz	VWHLYOZGNFQIID-GOSISDBHSA-N	1	1	298.386	4.424	20	5		CIBDMO
C[C@H](Nc1cccc2cc[nH+]cc21)c1ccc([N+](=O)[O-])cc1	ZINC000316596069	327176008	/nfs/dbraw/zinc/17/60/08/327176008.db2.gz	TYYJILXOVVMDCH-LBPRGKRZSA-N	1	1	293.326	4.316	20	5		CIBDMO
C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCc1ccccc1	ZINC000533881703	327231538	/nfs/dbraw/zinc/23/15/38/327231538.db2.gz	SKJZQIZOBQBAOC-OAHLLOKOSA-N	1	1	298.386	4.220	20	5		CIBDMO
CC[C@]1(C)CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1	ZINC000464781573	331367757	/nfs/dbraw/zinc/36/77/57/331367757.db2.gz	SVYSJGRGCOLZIO-CZUORRHYSA-N	1	1	276.380	4.168	20	5		CIBDMO
C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2ccccc2)C1	ZINC000489308670	332046522	/nfs/dbraw/zinc/04/65/22/332046522.db2.gz	VOEJAVXEXAXHAM-ZBFHGGJFSA-N	1	1	296.370	4.145	20	5		CIBDMO
CC(C)[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCC1	ZINC000492237415	332388506	/nfs/dbraw/zinc/38/85/06/332388506.db2.gz	BKLGKIQSGRFQOR-UHFFFAOYSA-N	1	1	282.771	4.011	20	5		CIBDMO
C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000523842137	333347569	/nfs/dbraw/zinc/34/75/69/333347569.db2.gz	IODLLZXBRYBVBG-RISCZKNCSA-N	1	1	296.798	4.259	20	5		CIBDMO
C[C@H](C1CC1)[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000524188967	333355969	/nfs/dbraw/zinc/35/59/69/333355969.db2.gz	PPDXBTPICJESPY-SNVBAGLBSA-N	1	1	294.782	4.011	20	5		CIBDMO
C[C@@H](C1CC1)[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1	ZINC000547412771	334086585	/nfs/dbraw/zinc/08/65/85/334086585.db2.gz	ARQLYKBNVUJURI-JTQLQIEISA-N	1	1	294.782	4.011	20	5		CIBDMO
C[C@H](Nc1cc(C2CC2)cc[nH+]1)c1cccc([N+](=O)[O-])c1	ZINC000353578755	534015229	/nfs/dbraw/zinc/01/52/29/534015229.db2.gz	SDELWAIHBPHXPD-NSHDSACASA-N	1	1	283.331	4.040	20	5		CIBDMO
C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1	ZINC000061362628	525451283	/nfs/dbraw/zinc/45/12/83/525451283.db2.gz	CIRFZNBMGZZTOP-VIFPVBQESA-N	1	1	296.779	4.161	20	5		CIBDMO
C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1cccs1	ZINC000111333492	328347266	/nfs/dbraw/zinc/34/72/66/328347266.db2.gz	DYULHEPLDSBQDR-VIFPVBQESA-N	1	1	296.779	4.161	20	5		CIBDMO
CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000303941036	328370891	/nfs/dbraw/zinc/37/08/91/328370891.db2.gz	SRQBJPHPPTYXMI-KRWDZBQOSA-N	1	1	298.386	4.048	20	5		CIBDMO
CCc1[nH+]ccn1Cc1nc2ccccc2c2ccccc12	ZINC000535234852	328396452	/nfs/dbraw/zinc/39/64/52/328396452.db2.gz	VGDXJCNPKQLSEV-UHFFFAOYSA-N	1	1	287.366	4.195	20	5		CIBDMO
C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1csc(Cl)c1	ZINC000191350649	328599701	/nfs/dbraw/zinc/59/97/01/328599701.db2.gz	YWAOEGQJGINWIK-SECBINFHSA-N	1	1	296.779	4.161	20	5		CIBDMO
CC[C@@]1(C)CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000464775570	331367464	/nfs/dbraw/zinc/36/74/64/331367464.db2.gz	MIGNKCHTGXSMNF-CJNGLKHVSA-N	1	1	276.380	4.168	20	5		CIBDMO
C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](c2ccccc2)C1	ZINC000489308668	332046640	/nfs/dbraw/zinc/04/66/40/332046640.db2.gz	VOEJAVXEXAXHAM-GOEBONIOSA-N	1	1	296.370	4.145	20	5		CIBDMO
Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])oc1C	ZINC000502403881	332657024	/nfs/dbraw/zinc/65/70/24/332657024.db2.gz	FQOGSNAWIZMMFE-VXGBXAGGSA-N	1	1	288.347	4.216	20	5		CIBDMO
Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1	ZINC000523442027	333327092	/nfs/dbraw/zinc/32/70/92/333327092.db2.gz	HQHYBKPWDLCBLJ-HNNXBMFYSA-N	1	1	298.386	4.405	20	5		CIBDMO
Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c1	ZINC000524593545	333367683	/nfs/dbraw/zinc/36/76/83/333367683.db2.gz	FPIMBMFBOZKZCE-OAHLLOKOSA-N	1	1	298.386	4.405	20	5		CIBDMO
Cc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1C	ZINC000552537744	334334328	/nfs/dbraw/zinc/33/43/28/334334328.db2.gz	PJSYZUDMDUFLPF-UHFFFAOYSA-N	1	1	298.386	4.152	20	5		CIBDMO
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC=C(c2ccco2)C1	ZINC000352543818	534095309	/nfs/dbraw/zinc/09/53/09/534095309.db2.gz	KECPEJKLXMGFGI-ZDUSSCGKSA-N	1	1	298.342	4.038	20	5		CIBDMO
Cc1ccc([C@H](C)Nc2cc(C3CC3)cc[nH+]2)cc1[N+](=O)[O-]	ZINC000353567904	228122122	/nfs/dbraw/zinc/12/21/22/228122122.db2.gz	ZYXZEGSYROAPJM-LBPRGKRZSA-N	1	1	297.358	4.349	20	5		CIBDMO
C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1	ZINC000107904346	330351673	/nfs/dbraw/zinc/35/16/73/330351673.db2.gz	ZOSUIPIONUQUQS-LLVKDONJSA-N	1	1	290.750	4.099	20	5		CIBDMO
CC[C@]1(C)CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000464775571	331367398	/nfs/dbraw/zinc/36/73/98/331367398.db2.gz	MIGNKCHTGXSMNF-CZUORRHYSA-N	1	1	276.380	4.168	20	5		CIBDMO
Cc1cc([N+](=O)[O-])ccc1CNc1[nH+]cccc1C(C)C	ZINC000466631478	331401004	/nfs/dbraw/zinc/40/10/04/331401004.db2.gz	XTLMYRPWWXRYKB-UHFFFAOYSA-N	1	1	285.347	4.034	20	5		CIBDMO
Cc1cccc(C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])c1	ZINC000488399645	332004074	/nfs/dbraw/zinc/00/40/74/332004074.db2.gz	QPXVLHYZLMKRCI-AWEZNQCLSA-N	1	1	284.359	4.096	20	5		CIBDMO
Cc1cccc([C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1	ZINC000489070728	332040243	/nfs/dbraw/zinc/04/02/43/332040243.db2.gz	IOFXIHYTZZDNMT-CQSZACIVSA-N	1	1	284.359	4.096	20	5		CIBDMO
C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1(C)CCCC1	ZINC000490132143	332082303	/nfs/dbraw/zinc/08/23/03/332082303.db2.gz	FLSIEQWVWUVCJQ-UHFFFAOYSA-N	1	1	282.771	4.013	20	5		CIBDMO
CC[N@@H+](Cc1cccs1)[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000183650365	333121456	/nfs/dbraw/zinc/12/14/56/333121456.db2.gz	XPGCOTLMRDVNRK-GFCCVEGCSA-N	1	1	290.388	4.239	20	5		CIBDMO
C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCCC1	ZINC000523843439	333347883	/nfs/dbraw/zinc/34/78/83/333347883.db2.gz	UNGNHNRALSGBIT-UHFFFAOYSA-N	1	1	296.798	4.403	20	5		CIBDMO
C[C@@H](Nc1cccc2cc[nH+]cc21)c1cccc([N+](=O)[O-])c1	ZINC000316246655	334818801	/nfs/dbraw/zinc/81/88/01/334818801.db2.gz	FFNHTQHWKGRQKI-GFCCVEGCSA-N	1	1	293.326	4.316	20	5		CIBDMO
C[C@H](Nc1cc(C2CC2)cc[nH+]1)c1ccc([N+](=O)[O-])cc1	ZINC000353621053	534015178	/nfs/dbraw/zinc/01/51/78/534015178.db2.gz	KNSDIBANGQQOED-NSHDSACASA-N	1	1	283.331	4.040	20	5		CIBDMO
C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccsc1	ZINC000061361189	525432812	/nfs/dbraw/zinc/43/28/12/525432812.db2.gz	VIUBLPBSHKPYOF-VIFPVBQESA-N	1	1	296.779	4.161	20	5		CIBDMO
CCC[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C	ZINC000519160628	265347794	/nfs/dbraw/zinc/34/77/94/265347794.db2.gz	UKWKYLADZBAKDG-CYBMUJFWSA-N	1	1	294.395	4.002	20	5		CIBDMO
C[C@H](CCc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-]	ZINC000532899545	329170489	/nfs/dbraw/zinc/17/04/89/329170489.db2.gz	JCXBONQYJXEKEL-OAHLLOKOSA-N	1	1	298.386	4.048	20	5		CIBDMO
CC[C@]1(C)CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000464775572	331367478	/nfs/dbraw/zinc/36/74/78/331367478.db2.gz	MIGNKCHTGXSMNF-XJKSGUPXSA-N	1	1	276.380	4.168	20	5		CIBDMO
CC[C@H]1CCCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C	ZINC000523554477	333332770	/nfs/dbraw/zinc/33/27/70/333332770.db2.gz	SNMQFKKSRTYPKY-HNNXBMFYSA-N	1	1	276.380	4.058	20	5		CIBDMO
CC(C)[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-]	ZINC000302834830	333335509	/nfs/dbraw/zinc/33/55/09/333335509.db2.gz	XPVRBOHSQNWHLY-UHFFFAOYSA-N	1	1	284.359	4.005	20	5		CIBDMO
C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000523842135	333347725	/nfs/dbraw/zinc/34/77/25/333347725.db2.gz	IODLLZXBRYBVBG-BXUZGUMPSA-N	1	1	296.798	4.259	20	5		CIBDMO
C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000523842138	333347739	/nfs/dbraw/zinc/34/77/39/333347739.db2.gz	IODLLZXBRYBVBG-SMDDNHRTSA-N	1	1	296.798	4.259	20	5		CIBDMO
C[C@@H](C1CC1)[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000524188966	333355835	/nfs/dbraw/zinc/35/58/35/333355835.db2.gz	PPDXBTPICJESPY-JTQLQIEISA-N	1	1	294.782	4.011	20	5		CIBDMO
Cc1ccc[nH+]c1NCc1ccc(C(C)C)c([N+](=O)[O-])c1	ZINC000236661601	333374325	/nfs/dbraw/zinc/37/43/25/333374325.db2.gz	UTQYSWNBZPHNKH-UHFFFAOYSA-N	1	1	285.347	4.034	20	5		CIBDMO
C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1Cl	ZINC000037562568	333534890	/nfs/dbraw/zinc/53/48/90/333534890.db2.gz	HPKXENRIFFIJGT-SECBINFHSA-N	1	1	296.779	4.161	20	5		CIBDMO
C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1Cl	ZINC000037562567	333534935	/nfs/dbraw/zinc/53/49/35/333534935.db2.gz	HPKXENRIFFIJGT-VIFPVBQESA-N	1	1	296.779	4.161	20	5		CIBDMO
Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)o2)cc1[N+](=O)[O-]	ZINC000539531360	333676883	/nfs/dbraw/zinc/67/68/83/333676883.db2.gz	RJKHVYXKXAAGLP-SNVBAGLBSA-N	1	1	294.738	4.000	20	5		CIBDMO
CCC[C@H](Nc1cc(C)cc[nH+]1)c1cccc([N+](=O)[O-])c1	ZINC000539611349	333681302	/nfs/dbraw/zinc/68/13/02/333681302.db2.gz	GQIWNKXDEYHUNE-HNNXBMFYSA-N	1	1	285.347	4.252	20	5		CIBDMO
Cc1cc([N+](=O)[O-])ccc1CNc1cccc2cc[nH+]cc21	ZINC000542692303	333836441	/nfs/dbraw/zinc/83/64/41/333836441.db2.gz	FOJVLRSLRFCOMA-UHFFFAOYSA-N	1	1	293.326	4.064	20	5		CIBDMO
C[C@@H](Nc1cc(C2CC2)cc[nH+]1)c1ccc([N+](=O)[O-])cc1	ZINC000353621050	533551280	/nfs/dbraw/zinc/55/12/80/533551280.db2.gz	KNSDIBANGQQOED-LLVKDONJSA-N	1	1	283.331	4.040	20	5		CIBDMO
CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-]	ZINC000497425231	262159380	/nfs/dbraw/zinc/15/93/80/262159380.db2.gz	FNFKDIFBOCORPH-GOSISDBHSA-N	1	1	298.386	4.424	20	5		CIBDMO
C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1	ZINC000107904344	330351701	/nfs/dbraw/zinc/35/17/01/330351701.db2.gz	ZOSUIPIONUQUQS-NSHDSACASA-N	1	1	290.750	4.099	20	5		CIBDMO
CC[C@@H](C)C[N@@H+](CC)[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000489299492	332045920	/nfs/dbraw/zinc/04/59/20/332045920.db2.gz	YBZQKBPJXYUONB-OLZOCXBDSA-N	1	1	264.369	4.024	20	5		CIBDMO
C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1(C)CCCC1	ZINC000489846359	332070086	/nfs/dbraw/zinc/07/00/86/332070086.db2.gz	WNDRHWGTIJHXLU-UHFFFAOYSA-N	1	1	282.771	4.013	20	5		CIBDMO
C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1(C)CCCC1	ZINC000489865383	332070754	/nfs/dbraw/zinc/07/07/54/332070754.db2.gz	XLMDUPCVYCYTID-UHFFFAOYSA-N	1	1	282.771	4.013	20	5		CIBDMO
CC[C@H](C)[C@@H](C)[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1	ZINC000513450380	333020248	/nfs/dbraw/zinc/02/02/48/333020248.db2.gz	JRVRCRVISUZOEZ-WDEREUQCSA-N	1	1	282.409	4.055	20	5		CIBDMO
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1cc(C2CC2)cc[nH+]1	ZINC000517204652	333094740	/nfs/dbraw/zinc/09/47/40/333094740.db2.gz	ATNKTJXMHKSNKY-GFCCVEGCSA-N	1	1	297.358	4.349	20	5		CIBDMO
Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)o2)cc1[N+](=O)[O-]	ZINC000539531354	333676905	/nfs/dbraw/zinc/67/69/05/333676905.db2.gz	RJKHVYXKXAAGLP-JTQLQIEISA-N	1	1	294.738	4.000	20	5		CIBDMO
C[C@H](C1CCCCC1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1	ZINC000548930648	334180798	/nfs/dbraw/zinc/18/07/98/334180798.db2.gz	VTCVUMUQIDZVQR-LLVKDONJSA-N	1	1	282.409	4.057	20	5		CIBDMO
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC=C(c2ccco2)C1	ZINC000352543817	227049760	/nfs/dbraw/zinc/04/97/60/227049760.db2.gz	KECPEJKLXMGFGI-CYBMUJFWSA-N	1	1	298.342	4.038	20	5		CIBDMO
C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1F	ZINC000037764213	260116879	/nfs/dbraw/zinc/11/68/79/260116879.db2.gz	KVMJXFUACQEDKT-RYUDHWBXSA-N	1	1	288.322	4.146	20	5		CIBDMO
C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1F	ZINC000037764215	260117101	/nfs/dbraw/zinc/11/71/01/260117101.db2.gz	KVMJXFUACQEDKT-NEPJUHHUSA-N	1	1	288.322	4.146	20	5		CIBDMO
C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12	ZINC000521190182	260378347	/nfs/dbraw/zinc/37/83/47/260378347.db2.gz	OQMUPOPKKMFXDS-BNOWGMLFSA-N	1	1	294.420	4.057	20	5		CIBDMO
CCC[C@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C	ZINC000519160629	265347038	/nfs/dbraw/zinc/34/70/38/265347038.db2.gz	UKWKYLADZBAKDG-ZDUSSCGKSA-N	1	1	294.395	4.002	20	5		CIBDMO
C[C@@H](Nc1cccc2cc[nH+]cc21)c1ccc([N+](=O)[O-])cc1	ZINC000316596065	327175914	/nfs/dbraw/zinc/17/59/14/327175914.db2.gz	TYYJILXOVVMDCH-GFCCVEGCSA-N	1	1	293.326	4.316	20	5		CIBDMO
Cc1cccc([C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1	ZINC000489070725	332040308	/nfs/dbraw/zinc/04/03/08/332040308.db2.gz	IOFXIHYTZZDNMT-AWEZNQCLSA-N	1	1	284.359	4.096	20	5		CIBDMO
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H]1c1ccccc1	ZINC000490034276	332077527	/nfs/dbraw/zinc/07/75/27/332077527.db2.gz	VBEVBSUPAHBOCK-KDOFPFPSSA-N	1	1	296.370	4.411	20	5		CIBDMO
CCC(CC)[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1	ZINC000517126220	333093014	/nfs/dbraw/zinc/09/30/14/333093014.db2.gz	XXFWWPMFPAJONK-UHFFFAOYSA-N	1	1	276.380	4.056	20	5		CIBDMO
C[C@H](C1CC1)[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1	ZINC000547412772	334086629	/nfs/dbraw/zinc/08/66/29/334086629.db2.gz	ARQLYKBNVUJURI-SNVBAGLBSA-N	1	1	294.782	4.011	20	5		CIBDMO
Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(C)o1	ZINC000044729600	525524928	/nfs/dbraw/zinc/52/49/28/525524928.db2.gz	QSGAXTPXUREFBQ-RYUDHWBXSA-N	1	1	288.347	4.216	20	5		CIBDMO
C[C@@H](Nc1cc(C2CC2)cc[nH+]1)c1cccc([N+](=O)[O-])c1	ZINC000353578753	533551178	/nfs/dbraw/zinc/55/11/78/533551178.db2.gz	SDELWAIHBPHXPD-LLVKDONJSA-N	1	1	283.331	4.040	20	5		CIBDMO
CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1	ZINC000035766033	172407341	/nfs/dbraw/zinc/40/73/41/172407341.db2.gz	NRXGQDALCUOEGC-UHFFFAOYSA-N	1	1	282.771	4.013	20	5		CIBDMO
C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12	ZINC000521190184	260378067	/nfs/dbraw/zinc/37/80/67/260378067.db2.gz	OQMUPOPKKMFXDS-MRVWCRGKSA-N	1	1	294.420	4.057	20	5		CIBDMO
CCC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1	ZINC000534327286	328046019	/nfs/dbraw/zinc/04/60/19/328046019.db2.gz	CVLYSRJTYNJEHC-UHFFFAOYSA-N	1	1	290.388	4.069	20	5		CIBDMO
CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1	ZINC000534327286	328046021	/nfs/dbraw/zinc/04/60/21/328046021.db2.gz	CVLYSRJTYNJEHC-UHFFFAOYSA-N	1	1	290.388	4.069	20	5		CIBDMO
C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCc1ccccc1	ZINC000533881702	327231559	/nfs/dbraw/zinc/23/15/59/327231559.db2.gz	SKJZQIZOBQBAOC-HNNXBMFYSA-N	1	1	298.386	4.220	20	5		CIBDMO
CC[C@@]1(C)CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000464775569	331367443	/nfs/dbraw/zinc/36/74/43/331367443.db2.gz	MIGNKCHTGXSMNF-BBRMVZONSA-N	1	1	276.380	4.168	20	5		CIBDMO
C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2ccccc2)C1	ZINC000489308669	332046589	/nfs/dbraw/zinc/04/65/89/332046589.db2.gz	VOEJAVXEXAXHAM-HOCLYGCPSA-N	1	1	296.370	4.145	20	5		CIBDMO
CC[C@@H](C)[C@@H](C)[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1	ZINC000513450375	333020198	/nfs/dbraw/zinc/02/01/98/333020198.db2.gz	JRVRCRVISUZOEZ-GHMZBOCLSA-N	1	1	282.409	4.055	20	5		CIBDMO
Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1cc(C2CC2)cc[nH+]1	ZINC000517204653	333094602	/nfs/dbraw/zinc/09/46/02/333094602.db2.gz	ATNKTJXMHKSNKY-LBPRGKRZSA-N	1	1	297.358	4.349	20	5		CIBDMO
CCC[C@@H](Nc1cc(C)cc[nH+]1)c1cccc([N+](=O)[O-])c1	ZINC000539611350	333681218	/nfs/dbraw/zinc/68/12/18/333681218.db2.gz	GQIWNKXDEYHUNE-OAHLLOKOSA-N	1	1	285.347	4.252	20	5		CIBDMO
Cc1c([C@@H](C)Nc2cc(C3CC3)cc[nH+]2)cccc1[N+](=O)[O-]	ZINC000353566797	228122285	/nfs/dbraw/zinc/12/22/85/228122285.db2.gz	YMUBJMXUQBQMHA-GFCCVEGCSA-N	1	1	297.358	4.349	20	5		CIBDMO
CCc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1	ZINC000155819793	261108397	/nfs/dbraw/zinc/10/83/97/261108397.db2.gz	OOBZINMSLNGLRB-NEPJUHHUSA-N	1	1	288.347	4.162	20	5		CIBDMO
CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-]	ZINC000303900962	328365959	/nfs/dbraw/zinc/36/59/59/328365959.db2.gz	LKELXPUQDLWEBQ-QGZVFWFLSA-N	1	1	298.386	4.048	20	5		CIBDMO
Cc1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1	ZINC000533081114	330329820	/nfs/dbraw/zinc/32/98/20/330329820.db2.gz	HSVFIZYNSFGVHM-UHFFFAOYSA-N	1	1	296.370	4.068	20	5		CIBDMO
CCC[C@@]1(C)CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1	ZINC000464836113	331370445	/nfs/dbraw/zinc/37/04/45/331370445.db2.gz	JSAIBBNCJFVMPR-AWEZNQCLSA-N	1	1	282.409	4.059	20	5		CIBDMO
C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](c2ccccc2)C1	ZINC000489308667	332046618	/nfs/dbraw/zinc/04/66/18/332046618.db2.gz	VOEJAVXEXAXHAM-GDBMZVCRSA-N	1	1	296.370	4.145	20	5		CIBDMO
Cc1ccccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000195732295	333262554	/nfs/dbraw/zinc/26/25/54/333262554.db2.gz	RQHICNZWLHMLEK-UHFFFAOYSA-N	1	1	296.370	4.068	20	5		CIBDMO
CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-]	ZINC000195732358	333262598	/nfs/dbraw/zinc/26/25/98/333262598.db2.gz	SPYCFRFQMIXWGA-INIZCTEOSA-N	1	1	284.359	4.178	20	5		CIBDMO
CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000522536253	333289199	/nfs/dbraw/zinc/28/91/99/333289199.db2.gz	DTKKYFLNOGZJEH-CYBMUJFWSA-N	1	1	282.771	4.013	20	5		CIBDMO
Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1	ZINC000523442028	333327126	/nfs/dbraw/zinc/32/71/26/333327126.db2.gz	HQHYBKPWDLCBLJ-OAHLLOKOSA-N	1	1	298.386	4.405	20	5		CIBDMO
C[C@H](Nc1cccc2cc[nH+]cc21)c1cccc([N+](=O)[O-])c1	ZINC000316246657	334818736	/nfs/dbraw/zinc/81/87/36/334818736.db2.gz	FFNHTQHWKGRQKI-LBPRGKRZSA-N	1	1	293.326	4.316	20	5		CIBDMO
Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(C)o1	ZINC000044729601	525475166	/nfs/dbraw/zinc/47/51/66/525475166.db2.gz	QSGAXTPXUREFBQ-VXGBXAGGSA-N	1	1	288.347	4.216	20	5		CIBDMO
C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl	ZINC000020124124	171005483	/nfs/dbraw/zinc/00/54/83/171005483.db2.gz	APKBHRCEDOUTJS-LLVKDONJSA-N	1	1	290.750	4.099	20	5		CIBDMO
Cc1c([C@H](C)Nc2cc(C3CC3)cc[nH+]2)cccc1[N+](=O)[O-]	ZINC000353566799	228122105	/nfs/dbraw/zinc/12/21/05/228122105.db2.gz	YMUBJMXUQBQMHA-LBPRGKRZSA-N	1	1	297.358	4.349	20	5		CIBDMO
C[C@H]([NH2+]Cc1ccsc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000312552832	260148609	/nfs/dbraw/zinc/14/86/09/260148609.db2.gz	CSQZOLKXJAMMLB-VIFPVBQESA-N	1	1	296.779	4.161	20	5		CIBDMO
CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000497358748	262145884	/nfs/dbraw/zinc/14/58/84/262145884.db2.gz	VWHLYOZGNFQIID-SFHVURJKSA-N	1	1	298.386	4.424	20	5		CIBDMO
C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1csc(Cl)c1	ZINC000191350634	328599705	/nfs/dbraw/zinc/59/97/05/328599705.db2.gz	YWAOEGQJGINWIK-VIFPVBQESA-N	1	1	296.779	4.161	20	5		CIBDMO
C[C@H]1CC2(CCC2)C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-]	ZINC000433244237	330214231	/nfs/dbraw/zinc/21/42/31/330214231.db2.gz	FGBVCTFMAJNFIU-NSHDSACASA-N	1	1	294.782	4.013	20	5		CIBDMO
C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1	ZINC000122616786	330426491	/nfs/dbraw/zinc/42/64/91/330426491.db2.gz	FADDAPWGGLIMMO-LBPRGKRZSA-N	1	1	296.326	4.192	20	5		CIBDMO
C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1	ZINC000522536651	333289385	/nfs/dbraw/zinc/28/93/85/333289385.db2.gz	ZWWGZVDPFXBOJI-UHFFFAOYSA-N	1	1	282.771	4.013	20	5		CIBDMO
O=[N+]([O-])c1ccccc1C[N@H+]1CCCC2(CCCCC2)C1	ZINC000523588054	333333582	/nfs/dbraw/zinc/33/35/82/333333582.db2.gz	OKOMJVSESOIABH-UHFFFAOYSA-N	1	1	288.391	4.141	20	5		CIBDMO
C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccsc1	ZINC000061361190	525517259	/nfs/dbraw/zinc/51/72/59/525517259.db2.gz	VIUBLPBSHKPYOF-SECBINFHSA-N	1	1	296.779	4.161	20	5		CIBDMO
C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1	ZINC000037403748	173180034	/nfs/dbraw/zinc/18/00/34/173180034.db2.gz	VVHDIOMKLXYSOK-UHFFFAOYSA-N	1	1	282.771	4.013	20	5		CIBDMO
O=[N+]([O-])c1ccccc1C[N@@H+](CC1CC1)C1CCCCC1	ZINC000078459097	177343031	/nfs/dbraw/zinc/34/30/31/177343031.db2.gz	HAKLVTXZHSYSFY-UHFFFAOYSA-N	1	1	288.391	4.140	20	5		CIBDMO
O=[N+]([O-])c1cc(C[N@H+]2CCCC3(CCCCC3)C2)cs1	ZINC000522072670	261515072	/nfs/dbraw/zinc/51/50/72/261515072.db2.gz	YSUSTRFXBJSEMD-UHFFFAOYSA-N	1	1	294.420	4.203	20	5		CIBDMO
CCC[C@]1(C)CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1	ZINC000464836125	331370553	/nfs/dbraw/zinc/37/05/53/331370553.db2.gz	JSAIBBNCJFVMPR-CQSZACIVSA-N	1	1	282.409	4.059	20	5		CIBDMO
CC[C@@H](C)[C@H](C)[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1	ZINC000513450377	333020211	/nfs/dbraw/zinc/02/02/11/333020211.db2.gz	JRVRCRVISUZOEZ-MNOVXSKESA-N	1	1	282.409	4.055	20	5		CIBDMO
CC[C@H](C)[C@H](C)[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1	ZINC000513450379	333020343	/nfs/dbraw/zinc/02/03/43/333020343.db2.gz	JRVRCRVISUZOEZ-QWRGUYRKSA-N	1	1	282.409	4.055	20	5		CIBDMO
Cc1ccc([C@@H](C)[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000522268272	333277107	/nfs/dbraw/zinc/27/71/07/333277107.db2.gz	JZVIDHZRMBZNIP-OAHLLOKOSA-N	1	1	298.386	4.139	20	5		CIBDMO
CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000522536254	333289219	/nfs/dbraw/zinc/28/92/19/333289219.db2.gz	DTKKYFLNOGZJEH-ZDUSSCGKSA-N	1	1	282.771	4.013	20	5		CIBDMO
Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c1	ZINC000524593544	333367719	/nfs/dbraw/zinc/36/77/19/333367719.db2.gz	FPIMBMFBOZKZCE-HNNXBMFYSA-N	1	1	298.386	4.405	20	5		CIBDMO
O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2c2cccs2)cs1	ZINC000048609515	527329299	/nfs/dbraw/zinc/32/92/99/527329299.db2.gz	JFSDGOQPPFJINP-NSHDSACASA-N	1	1	294.401	4.055	20	5		CIBDMO
O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2c2cccs2)cs1	ZINC000048609515	527329305	/nfs/dbraw/zinc/32/93/05/527329305.db2.gz	JFSDGOQPPFJINP-NSHDSACASA-N	1	1	294.401	4.055	20	5		CIBDMO
C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1	ZINC000036964883	172832589	/nfs/dbraw/zinc/83/25/89/172832589.db2.gz	HHBRZJKUORGRMK-UHFFFAOYSA-N	1	1	282.771	4.013	20	5		CIBDMO
Cc1ccc([C@@H](C)Nc2cc(C3CC3)cc[nH+]2)cc1[N+](=O)[O-]	ZINC000353567902	228122034	/nfs/dbraw/zinc/12/20/34/228122034.db2.gz	ZYXZEGSYROAPJM-GFCCVEGCSA-N	1	1	297.358	4.349	20	5		CIBDMO
CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-]	ZINC000303900959	328365894	/nfs/dbraw/zinc/36/58/94/328365894.db2.gz	LKELXPUQDLWEBQ-KRWDZBQOSA-N	1	1	298.386	4.048	20	5		CIBDMO
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(C1)CCCCC2	ZINC000303953680	328369889	/nfs/dbraw/zinc/36/98/89/328369889.db2.gz	WLSXLZZHCZDOJW-AWEZNQCLSA-N	1	1	288.391	4.312	20	5		CIBDMO
Cc1c(CNc2cccc3cc[nH+]cc32)cccc1[N+](=O)[O-]	ZINC000532286601	328713189	/nfs/dbraw/zinc/71/31/89/328713189.db2.gz	QXMOSILTGFJINF-UHFFFAOYSA-N	1	1	293.326	4.064	20	5		CIBDMO
C[C@@H](CCc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-]	ZINC000532899543	329170674	/nfs/dbraw/zinc/17/06/74/329170674.db2.gz	JCXBONQYJXEKEL-HNNXBMFYSA-N	1	1	298.386	4.048	20	5		CIBDMO
CC[C@H](C)C[N@@H+](CC)[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000489299493	332045811	/nfs/dbraw/zinc/04/58/11/332045811.db2.gz	YBZQKBPJXYUONB-QWHCGFSZSA-N	1	1	264.369	4.024	20	5		CIBDMO
Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]1c1ccccc1	ZINC000490034278	332077480	/nfs/dbraw/zinc/07/74/80/332077480.db2.gz	VBEVBSUPAHBOCK-KSSFIOAISA-N	1	1	296.370	4.411	20	5		CIBDMO
CC[N@@H+](Cc1cccs1)[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000183650344	333121452	/nfs/dbraw/zinc/12/14/52/333121452.db2.gz	XPGCOTLMRDVNRK-LBPRGKRZSA-N	1	1	290.388	4.239	20	5		CIBDMO
CC(C)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1	ZINC000522269004	333277110	/nfs/dbraw/zinc/27/71/10/333277110.db2.gz	JYTCQKSHUAQKAI-UHFFFAOYSA-N	1	1	290.407	4.038	20	5		CIBDMO
O=[N+]([O-])c1cccc(Cl)c1C[N@@H+](C1CC1)C1CCCC1	ZINC000548623903	334164176	/nfs/dbraw/zinc/16/41/76/334164176.db2.gz	FBAPHLKABXTGKN-UHFFFAOYSA-N	1	1	294.782	4.155	20	5		CIBDMO
CC1CCC([N@@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)CC1	ZINC000339932895	520937322	/nfs/dbraw/zinc/93/73/22/520937322.db2.gz	ZJFQTCDBFBAQAA-UHFFFAOYSA-N	1	1	294.420	4.199	20	5		CIBDMO
Cc1cc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(C)o1	ZINC000044729602	525530762	/nfs/dbraw/zinc/53/07/62/525530762.db2.gz	QSGAXTPXUREFBQ-NEPJUHHUSA-N	1	1	288.347	4.216	20	5		CIBDMO
CCCCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000302999725	328320408	/nfs/dbraw/zinc/32/04/08/328320408.db2.gz	ULPMQGKAXHNWBD-UHFFFAOYSA-N	1	1	278.396	4.038	20	5		CIBDMO
C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1cccs1	ZINC000111333493	328347198	/nfs/dbraw/zinc/34/71/98/328347198.db2.gz	DYULHEPLDSBQDR-SECBINFHSA-N	1	1	296.779	4.161	20	5		CIBDMO
CCCCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C	ZINC000569359155	327163419	/nfs/dbraw/zinc/16/34/19/327163419.db2.gz	DKGSTXRCQABNJE-UHFFFAOYSA-N	1	1	294.395	4.004	20	5		CIBDMO
CC[C@@H](C)C[N@@H+](CC)[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000489299490	332045990	/nfs/dbraw/zinc/04/59/90/332045990.db2.gz	YBZQKBPJXYUONB-CHWSQXEVSA-N	1	1	264.369	4.024	20	5		CIBDMO
CC(C)C[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-]	ZINC000521188583	333114371	/nfs/dbraw/zinc/11/43/71/333114371.db2.gz	GXBWYKQIVIWCKP-UHFFFAOYSA-N	1	1	298.386	4.253	20	5		CIBDMO
CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-]	ZINC000195732359	333262593	/nfs/dbraw/zinc/26/25/93/333262593.db2.gz	SPYCFRFQMIXWGA-MRXNPFEDSA-N	1	1	284.359	4.178	20	5		CIBDMO
CC[C@@H]1CCCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C	ZINC000523554478	333332888	/nfs/dbraw/zinc/33/28/88/333332888.db2.gz	SNMQFKKSRTYPKY-OAHLLOKOSA-N	1	1	276.380	4.058	20	5		CIBDMO
Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(C)o1	ZINC000044729599	525471164	/nfs/dbraw/zinc/47/11/64/525471164.db2.gz	QSGAXTPXUREFBQ-NWDGAFQWSA-N	1	1	288.347	4.216	20	5		CIBDMO
C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl	ZINC000020124125	171005819	/nfs/dbraw/zinc/00/58/19/171005819.db2.gz	APKBHRCEDOUTJS-NSHDSACASA-N	1	1	290.750	4.099	20	5		CIBDMO
C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12	ZINC000521190185	260378114	/nfs/dbraw/zinc/37/81/14/260378114.db2.gz	OQMUPOPKKMFXDS-XBFCOCLRSA-N	1	1	294.420	4.057	20	5		CIBDMO
CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1	ZINC000497359968	262146726	/nfs/dbraw/zinc/14/67/26/262146726.db2.gz	BUIRYIDDHUWFDH-SFHVURJKSA-N	1	1	298.386	4.424	20	5		CIBDMO
Cc1cc[nH+]c(N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1	ZINC000433217931	330620189	/nfs/dbraw/zinc/62/01/89/330620189.db2.gz	HHAMTJBAGQDWQT-HNNXBMFYSA-N	1	1	297.358	4.133	20	5		CIBDMO
CC[C@@]1(C)CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1	ZINC000464781571	331367902	/nfs/dbraw/zinc/36/79/02/331367902.db2.gz	SVYSJGRGCOLZIO-CJNGLKHVSA-N	1	1	276.380	4.168	20	5		CIBDMO
Cc1c(CNc2cc[nH+]c3ccsc32)cccc1[N+](=O)[O-]	ZINC000477945453	331695262	/nfs/dbraw/zinc/69/52/62/331695262.db2.gz	NJIYNYFOWNZBNS-UHFFFAOYSA-N	1	1	299.355	4.125	20	5		CIBDMO
CC(C)(C)C[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1	ZINC000488694297	332022045	/nfs/dbraw/zinc/02/20/45/332022045.db2.gz	IALSRPHNALVJGQ-INIZCTEOSA-N	1	1	290.407	4.038	20	5		CIBDMO
Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])oc1C	ZINC000502403880	332656911	/nfs/dbraw/zinc/65/69/11/332656911.db2.gz	FQOGSNAWIZMMFE-RYUDHWBXSA-N	1	1	288.347	4.216	20	5		CIBDMO
Cc1ccc([C@H](C)[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000522268271	333277203	/nfs/dbraw/zinc/27/72/03/333277203.db2.gz	JZVIDHZRMBZNIP-HNNXBMFYSA-N	1	1	298.386	4.139	20	5		CIBDMO
C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000523842136	333347688	/nfs/dbraw/zinc/34/76/88/333347688.db2.gz	IODLLZXBRYBVBG-FZMZJTMJSA-N	1	1	296.798	4.259	20	5		CIBDMO
CC[C@H](Nc1cc(C2CC2)cc[nH+]1)c1cccc([N+](=O)[O-])c1	ZINC000577666225	335387155	/nfs/dbraw/zinc/38/71/55/335387155.db2.gz	RWEOYXYHGVLIOB-INIZCTEOSA-N	1	1	297.358	4.430	20	5		CIBDMO
C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1	ZINC000061362629	525529323	/nfs/dbraw/zinc/52/93/23/525529323.db2.gz	CIRFZNBMGZZTOP-SECBINFHSA-N	1	1	296.779	4.161	20	5		CIBDMO
C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC=C(c2ccco2)C1	ZINC000352570364	227071647	/nfs/dbraw/zinc/07/16/47/227071647.db2.gz	GMCOWTGPYXGGNA-CYBMUJFWSA-N	1	1	298.342	4.038	20	5		CIBDMO
CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1	ZINC000155819460	261107943	/nfs/dbraw/zinc/10/79/43/261107943.db2.gz	OOBZINMSLNGLRB-NWDGAFQWSA-N	1	1	288.347	4.162	20	5		CIBDMO
CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-]	ZINC000497425232	262159496	/nfs/dbraw/zinc/15/94/96/262159496.db2.gz	FNFKDIFBOCORPH-SFHVURJKSA-N	1	1	298.386	4.424	20	5		CIBDMO
CC[C@@]1(C)CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1	ZINC000464781569	331367804	/nfs/dbraw/zinc/36/78/04/331367804.db2.gz	SVYSJGRGCOLZIO-BBRMVZONSA-N	1	1	276.380	4.168	20	5		CIBDMO
CC[C@]1(C)CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1	ZINC000464781575	331367814	/nfs/dbraw/zinc/36/78/14/331367814.db2.gz	SVYSJGRGCOLZIO-XJKSGUPXSA-N	1	1	276.380	4.168	20	5		CIBDMO
CC[C@H](C)C[N@@H+](CC)[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000489299495	332045833	/nfs/dbraw/zinc/04/58/33/332045833.db2.gz	YBZQKBPJXYUONB-STQMWFEESA-N	1	1	264.369	4.024	20	5		CIBDMO
Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]1c1ccccc1	ZINC000490034270	332077452	/nfs/dbraw/zinc/07/74/52/332077452.db2.gz	VBEVBSUPAHBOCK-KBXCAEBGSA-N	1	1	296.370	4.411	20	5		CIBDMO
CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1	ZINC000522536248	333289366	/nfs/dbraw/zinc/28/93/66/333289366.db2.gz	DQQQTWFZYMTTAG-UHFFFAOYSA-N	1	1	296.798	4.403	20	5		CIBDMO
O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2c2cccs2)cs1	ZINC000048609517	527329908	/nfs/dbraw/zinc/32/99/08/527329908.db2.gz	JFSDGOQPPFJINP-LLVKDONJSA-N	1	1	294.401	4.055	20	5		CIBDMO
O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2c2cccs2)cs1	ZINC000048609517	527329911	/nfs/dbraw/zinc/32/99/11/527329911.db2.gz	JFSDGOQPPFJINP-LLVKDONJSA-N	1	1	294.401	4.055	20	5		CIBDMO