smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc([C@@H](C)N)c([N+](=O)[O-])c1	238290652	573146656	/nfs/dbraw/zinc/14/66/56/573146656.db2.gz	NFTVFXBPSWLVHR-SSDOTTSWSA-N	0	3	194.234	2.177	10	5		AEBEHN
CN[C@H](C)c1cc([N+](=O)[O-])ccc1C	238332350	573284651	/nfs/dbraw/zinc/28/46/51/573284651.db2.gz	LTDHRPAYQHXVOC-MRVPVSSYSA-N	0	3	194.234	2.184	10	5		AEBEHN
CN[C@H](C)c1ccc([N+](=O)[O-])c(F)c1	238334466	573288347	/nfs/dbraw/zinc/28/83/47/573288347.db2.gz	GDAJEEUELZMIFE-ZCFIWIBFSA-N	0	3	198.197	2.014	10	5		AEBEHN
CC[N+](C)(C)c1ccc(C)c([O-])c1	1844238	571786388	/nfs/dbraw/zinc/78/63/88/571786388.db2.gz	WJDTTXUCSHWVLW-UHFFFAOYSA-O	0	3	180.271	2.287	10	5		AEBEHN
CC[N+](C)(C)c1cc(C)cc([O-])c1	1844241	571787797	/nfs/dbraw/zinc/78/77/97/571787797.db2.gz	VFSNEUMUHDOLHA-UHFFFAOYSA-O	0	3	180.271	2.287	10	5		AEBEHN
Cc1ccc(NCC(C)[N+](=O)[O-])cc1	687728385	571906458	/nfs/dbraw/zinc/90/64/58/571906458.db2.gz	YPGMETWXVWPUGV-SECBINFHSA-N	0	3	194.234	2.072	10	5		AEBEHN
Cc1ccc(NCC(C)[N+](=O)[O-])cc1	687728386	571906848	/nfs/dbraw/zinc/90/68/48/571906848.db2.gz	YPGMETWXVWPUGV-VIFPVBQESA-N	0	3	194.234	2.072	10	5		AEBEHN
CC[C@@H](N)c1ccc([N+](=O)[O-])s1	83160294	571952031	/nfs/dbraw/zinc/95/20/31/571952031.db2.gz	GUILZAIQQSYTCW-RXMQYKEDSA-N	0	3	186.236	2.066	10	5		AEBEHN
CC[C@]1(C)C/C(=C/[N+](=O)[O-])C=C(C)N1	687759265	571960501	/nfs/dbraw/zinc/96/05/01/571960501.db2.gz	UJNIWCGLHCIVCL-TTZKWOQHSA-N	0	3	196.250	2.213	10	5		AEBEHN
CC[C@]1(C)C/C(=C\[N+](=O)[O-])C=C(C)N1	687759266	571959194	/nfs/dbraw/zinc/95/91/94/571959194.db2.gz	UJNIWCGLHCIVCL-UJICNMFASA-N	0	3	196.250	2.213	10	5		AEBEHN
CC[C@@]1(C)C/C(=C/[N+](=O)[O-])C=C(C)N1	687759263	571959422	/nfs/dbraw/zinc/95/94/22/571959422.db2.gz	UJNIWCGLHCIVCL-PCYYEKQGSA-N	0	3	196.250	2.213	10	5		AEBEHN
CC[C@@]1(C)C/C(=C\[N+](=O)[O-])C=C(C)N1	687759264	571960532	/nfs/dbraw/zinc/96/05/32/571960532.db2.gz	UJNIWCGLHCIVCL-RNKPRXRFSA-N	0	3	196.250	2.213	10	5		AEBEHN
CNC(C)(C)c1ccccc1[N+](=O)[O-]	219439249	571988681	/nfs/dbraw/zinc/98/86/81/571988681.db2.gz	WPVZXJPUMVAKOK-UHFFFAOYSA-N	0	3	194.234	2.049	10	5		AEBEHN
CCCCC(Br)[N+](=O)[O-]	113261317	572998383	/nfs/dbraw/zinc/99/83/83/572998383.db2.gz	OVLJBOFQGFSKAL-RXMQYKEDSA-N	0	3	196.044	2.174	10	5		AEBEHN
CCc1ccc([N+](=O)[O-])c([C@@H](C)N)c1	238278406	573101531	/nfs/dbraw/zinc/10/15/31/573101531.db2.gz	YEWTXWBOJNDUOQ-SSDOTTSWSA-N	0	3	194.234	2.177	10	5		AEBEHN
CCc1ccc([N+](=O)[O-])c([C@H](C)N)c1	238278424	573102959	/nfs/dbraw/zinc/10/29/59/573102959.db2.gz	YEWTXWBOJNDUOQ-ZETCQYMHSA-N	0	3	194.234	2.177	10	5		AEBEHN
CC[C@@H](N)c1cccc([N+](=O)[O-])c1F	238282918	573131083	/nfs/dbraw/zinc/13/10/83/573131083.db2.gz	YXNAIPKFKBTQIA-SSDOTTSWSA-N	0	3	198.197	2.144	10	5		AEBEHN
CCc1ccc([C@H](C)N)c([N+](=O)[O-])c1	238292604	573152673	/nfs/dbraw/zinc/15/26/73/573152673.db2.gz	NFTVFXBPSWLVHR-ZETCQYMHSA-N	0	3	194.234	2.177	10	5		AEBEHN
CCc1cccc([N+](=O)[O-])c1[C@@H](C)N	238301306	573192521	/nfs/dbraw/zinc/19/25/21/573192521.db2.gz	BVMRNDMHUFAJAY-SSDOTTSWSA-N	0	3	194.234	2.177	10	5		AEBEHN
CC[C@H](N)c1cc(C)ccc1[N+](=O)[O-]	238311471	573203943	/nfs/dbraw/zinc/20/39/43/573203943.db2.gz	CFONRXKZMPUFFB-VIFPVBQESA-N	0	3	194.234	2.313	10	5		AEBEHN
CC[C@H](N)c1cccc([N+](=O)[O-])c1F	238318033	573254335	/nfs/dbraw/zinc/25/43/35/573254335.db2.gz	YXNAIPKFKBTQIA-ZETCQYMHSA-N	0	3	198.197	2.144	10	5		AEBEHN
CN[C@@H](C)c1cccc(C)c1[N+](=O)[O-]	238332821	573280708	/nfs/dbraw/zinc/28/07/08/573280708.db2.gz	APEYWDOEEXTFFR-QMMMGPOBSA-N	0	3	194.234	2.184	10	5		AEBEHN
CN[C@H](C)c1ccc(F)cc1[N+](=O)[O-]	238334225	573287773	/nfs/dbraw/zinc/28/77/73/573287773.db2.gz	SHOJHZKGNGFEIC-ZCFIWIBFSA-N	0	3	198.197	2.014	10	5		AEBEHN
CN[C@H](C)c1cccc(C)c1[N+](=O)[O-]	238336240	573299625	/nfs/dbraw/zinc/29/96/25/573299625.db2.gz	APEYWDOEEXTFFR-MRVPVSSYSA-N	0	3	194.234	2.184	10	5		AEBEHN
CC(C)(C)NCc1ccc([N+](=O)[O-])o1	37184327	166366131	/nfs/dbraw/zinc/36/61/31/166366131.db2.gz	IUVNZVUJBHDVBB-UHFFFAOYSA-N	0	3	198.222	2.076	10	5		AEBEHN
CCN[C@@H](C)c1ccccc1[N+](=O)[O-]	20525882	167284204	/nfs/dbraw/zinc/28/42/04/167284204.db2.gz	WVKMHGZLSIPFQA-QMMMGPOBSA-N	0	3	194.234	2.265	10	5		AEBEHN
CCN[C@H](C)c1ccccc1[N+](=O)[O-]	20525883	167298531	/nfs/dbraw/zinc/29/85/31/167298531.db2.gz	WVKMHGZLSIPFQA-MRVPVSSYSA-N	0	3	194.234	2.265	10	5		AEBEHN
CCN(C)Cc1ccc([N+](=O)[O-])cc1	140199707	343999074	/nfs/dbraw/zinc/99/90/74/343999074.db2.gz	HSPCMIWALCEHET-UHFFFAOYSA-N	0	3	194.234	2.047	10	5		AEBEHN
O=[N+]([O-])C1C[C@@H]1c1ccc(F)c(F)c1	205471540	344373602	/nfs/dbraw/zinc/37/36/02/344373602.db2.gz	VYHQBUSVVNQXPV-MUWHJKNJSA-N	0	3	199.156	2.097	10	5		AEBEHN
CCN(C)Cc1cccc([N+](=O)[O-])c1	603582034	346956642	/nfs/dbraw/zinc/95/66/42/346956642.db2.gz	MCAVDRGOFAJJJR-UHFFFAOYSA-N	0	3	194.234	2.047	10	5		AEBEHN
CN[C@@H](C)c1ccc(C)cc1[N+](=O)[O-]	238329557	573274301	/nfs/dbraw/zinc/27/43/01/573274301.db2.gz	OYCKYKFTCOFBBN-QMMMGPOBSA-N	0	3	194.234	2.184	10	5		AEBEHN
CN[C@@H](C)c1ccc([N+](=O)[O-])cc1F	238330798	573276381	/nfs/dbraw/zinc/27/63/81/573276381.db2.gz	VCVXPYUFTJDAKJ-LURJTMIESA-N	0	3	198.197	2.014	10	5		AEBEHN
CN[C@@H](C)c1ccc([N+](=O)[O-])c(F)c1	238330747	573276767	/nfs/dbraw/zinc/27/67/67/573276767.db2.gz	GDAJEEUELZMIFE-LURJTMIESA-N	0	3	198.197	2.014	10	5		AEBEHN