smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@H](Cc1ccccc1)c1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000095534899	257136072	/nfs/dbraw/zinc/13/60/72/257136072.db2.gz	XRLLQSZOMQTWBB-OAHLLOKOSA-N	1	1	323.356	2.546	40	5		DFBBMO
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C)C1	ZINC000004902656	425620537	/nfs/dbraw/zinc/62/05/37/425620537.db2.gz	WVFRDXIHUPDJRX-AAEUAGOBSA-N	1	1	305.378	2.962	40	5		DFBBMO
[NH3+][C@@H](c1nc(-c2ccccc2[N+](=O)[O-])n[nH]1)c1ccc(F)cc1	ZINC000095533256	426373159	/nfs/dbraw/zinc/37/31/59/426373159.db2.gz	PBPHUUGBZHVFIM-CYBMUJFWSA-N	1	1	313.292	2.567	40	5		DFBBMO
Cc1ccc([C@H]([NH3+])c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)cc1	ZINC000095534090	426373449	/nfs/dbraw/zinc/37/34/49/426373449.db2.gz	XJPVASSYBBIWAK-AWEZNQCLSA-N	1	1	309.329	2.736	40	5		DFBBMO
[NH3+][C@H](c1nc(-c2ccccc2[N+](=O)[O-])n[nH]1)c1ccc(F)cc1	ZINC000095533257	426373661	/nfs/dbraw/zinc/37/36/61/426373661.db2.gz	PBPHUUGBZHVFIM-ZDUSSCGKSA-N	1	1	313.292	2.567	40	5		DFBBMO
[NH3+][C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(F)cc1	ZINC000095533250	426373700	/nfs/dbraw/zinc/37/37/00/426373700.db2.gz	OCBVFCQKQMXAMA-CYBMUJFWSA-N	1	1	313.292	2.567	40	5		DFBBMO
C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000004902677	425620370	/nfs/dbraw/zinc/62/03/70/425620370.db2.gz	NFUCVLXXSGLYSO-JTQLQIEISA-N	1	1	311.769	2.919	40	5		DFBBMO
C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000004902677	425620372	/nfs/dbraw/zinc/62/03/72/425620372.db2.gz	NFUCVLXXSGLYSO-JTQLQIEISA-N	1	1	311.769	2.919	40	5		DFBBMO
Cc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)cc1	ZINC000095534091	426373914	/nfs/dbraw/zinc/37/39/14/426373914.db2.gz	XJPVASSYBBIWAK-CQSZACIVSA-N	1	1	309.329	2.736	40	5		DFBBMO
CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000012398531	273666369	/nfs/dbraw/zinc/66/63/69/273666369.db2.gz	MHAAWYKYOKGZOV-UHFFFAOYSA-N	1	1	303.284	2.756	40	5		DFBBMO
C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1	ZINC000006001493	181304763	/nfs/dbraw/zinc/30/47/63/181304763.db2.gz	VVNYCZXZLHUHIF-AWEZNQCLSA-N	1	1	308.378	2.599	40	5		DFBBMO
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000013670698	425758994	/nfs/dbraw/zinc/75/89/94/425758994.db2.gz	AKZZETJDPBWWOE-OAHLLOKOSA-N	1	1	319.405	2.979	40	5		DFBBMO
O=C(NCC1CC1)C1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1	ZINC000085938252	426255583	/nfs/dbraw/zinc/25/55/83/426255583.db2.gz	WWPLEYJFIRARCV-UHFFFAOYSA-N	1	1	323.418	2.585	40	5		DFBBMO
Cc1ccc([C@@H]([NH3+])c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1	ZINC000095534095	274756975	/nfs/dbraw/zinc/75/69/75/274756975.db2.gz	KPBQEOHRVCJOKY-CQSZACIVSA-N	1	1	309.329	2.736	40	5		DFBBMO
[NH3+][C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(F)cc1	ZINC000095533261	426374031	/nfs/dbraw/zinc/37/40/31/426374031.db2.gz	MKCVYQSZFKNRBW-ZDUSSCGKSA-N	1	1	313.292	2.567	40	5		DFBBMO
[NH3+][C@@H](Cc1ccccc1)c1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000095534898	185379335	/nfs/dbraw/zinc/37/93/35/185379335.db2.gz	XRLLQSZOMQTWBB-HNNXBMFYSA-N	1	1	323.356	2.546	40	5		DFBBMO
CNc1cc(N2CC[NH+](C(C)C)CC2)c(Cl)cc1[N+](=O)[O-]	ZINC000045221409	425860321	/nfs/dbraw/zinc/86/03/21/425860321.db2.gz	VSFXBBZSWKFTDI-UHFFFAOYSA-N	1	1	312.801	2.820	40	5		DFBBMO
C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1	ZINC000006001538	181305150	/nfs/dbraw/zinc/30/51/50/181305150.db2.gz	VVNYCZXZLHUHIF-CQSZACIVSA-N	1	1	308.378	2.599	40	5		DFBBMO
O=[N+]([O-])c1ccc(-c2nc3ccc(N4CC[NH2+]CC4)cc3[nH]2)cc1	ZINC000059381688	425898670	/nfs/dbraw/zinc/89/86/70/425898670.db2.gz	DOCSJNIKBFEWBG-UHFFFAOYSA-N	1	1	323.356	2.548	40	5		DFBBMO
Cn1nccc1[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1	ZINC000084303743	426236534	/nfs/dbraw/zinc/23/65/34/426236534.db2.gz	UMCWDUBZQJJOCP-OAHLLOKOSA-N	1	1	314.389	2.750	40	5		DFBBMO
CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1	ZINC000193415351	427691531	/nfs/dbraw/zinc/69/15/31/427691531.db2.gz	MHAIRGINRFUBIA-CYBMUJFWSA-N	1	1	315.377	2.777	40	5		DFBBMO
C[N@@H+](C[C@H](O)COc1ccc([N+](=O)[O-])cc1)C1CCCCC1	ZINC000006001482	181304985	/nfs/dbraw/zinc/30/49/85/181304985.db2.gz	AHIOSJCLDVYQCM-HNNXBMFYSA-N	1	1	308.378	2.599	40	5		DFBBMO
Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2ccccc2)CC1	ZINC000078988234	185141028	/nfs/dbraw/zinc/14/10/28/185141028.db2.gz	KHPUBTLMQIBMMY-UHFFFAOYSA-N	1	1	300.362	2.708	40	5		DFBBMO
CCc1[nH+]ccn1[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1	ZINC000193415364	281540260	/nfs/dbraw/zinc/54/02/60/281540260.db2.gz	MHAIRGINRFUBIA-ZDUSSCGKSA-N	1	1	315.377	2.777	40	5		DFBBMO
O=[N+]([O-])c1cccc(-c2nnc(CC[NH+]3CCCCCC3)[nH]2)c1	ZINC000062719502	184250711	/nfs/dbraw/zinc/25/07/11/184250711.db2.gz	CCHJMMJYIFQGPL-UHFFFAOYSA-N	1	1	315.377	2.798	40	5		DFBBMO
c1ccc2cc3c(cc2c1)nccc3NCCN1CC[NH2+]CC1	ZINC000022860302	182338058	/nfs/dbraw/zinc/33/80/58/182338058.db2.gz	FJPLPCGDJZZCOZ-UHFFFAOYSA-N	1	1	306.413	2.705	40	5		DFBBMO
CC[N@@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])cc1)C1CCCCC1	ZINC000001473299	425580779	/nfs/dbraw/zinc/58/07/79/425580779.db2.gz	SPBKKPJOGBBWHL-MRXNPFEDSA-N	1	1	322.405	2.989	40	5		DFBBMO
O=[N+]([O-])c1sccc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000026423823	425811565	/nfs/dbraw/zinc/81/15/65/425811565.db2.gz	ZKVIDOKDAAIBBG-UHFFFAOYSA-N	1	1	303.387	2.979	40	5		DFBBMO
[NH3+][C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)c1ccc(F)cc1	ZINC000095533260	426373123	/nfs/dbraw/zinc/37/31/23/426373123.db2.gz	MKCVYQSZFKNRBW-CYBMUJFWSA-N	1	1	313.292	2.567	40	5		DFBBMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1	ZINC000081361227	192257616	/nfs/dbraw/zinc/25/76/16/192257616.db2.gz	RKBDOIZKDQCFCB-AWEZNQCLSA-N	1	1	319.405	2.707	40	5		DFBBMO
CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000010543016	425703832	/nfs/dbraw/zinc/70/38/32/425703832.db2.gz	PJGARXUKAVHRKO-HNNXBMFYSA-N	1	1	319.405	2.979	40	5		DFBBMO
C[N@@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])cc1)C1CCCCC1	ZINC000006001525	181304955	/nfs/dbraw/zinc/30/49/55/181304955.db2.gz	AHIOSJCLDVYQCM-OAHLLOKOSA-N	1	1	308.378	2.599	40	5		DFBBMO
CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000067801130	425913158	/nfs/dbraw/zinc/91/31/58/425913158.db2.gz	ZZXHVDOVHFUPKJ-CYBMUJFWSA-N	1	1	321.377	2.694	40	5		DFBBMO
CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000067801130	425913159	/nfs/dbraw/zinc/91/31/59/425913159.db2.gz	ZZXHVDOVHFUPKJ-CYBMUJFWSA-N	1	1	321.377	2.694	40	5		DFBBMO
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C)C1	ZINC000004902654	425621078	/nfs/dbraw/zinc/62/10/78/425621078.db2.gz	WVFRDXIHUPDJRX-WCQYABFASA-N	1	1	305.378	2.962	40	5		DFBBMO
Cc1ccc([C@H]([NH3+])c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1	ZINC000095534084	426373419	/nfs/dbraw/zinc/37/34/19/426373419.db2.gz	FLDLDVPNTHWVSA-AWEZNQCLSA-N	1	1	309.329	2.736	40	5		DFBBMO
O=[N+]([O-])c1ccc(-c2nnc(CC[NH+]3CCCCCC3)[nH]2)cc1	ZINC000062719505	184250989	/nfs/dbraw/zinc/25/09/89/184250989.db2.gz	JJRWHEGJJMGOEE-UHFFFAOYSA-N	1	1	315.377	2.798	40	5		DFBBMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000010542863	425703611	/nfs/dbraw/zinc/70/36/11/425703611.db2.gz	SVZXRZOSLHTCIN-OKILXGFUSA-N	1	1	319.405	2.693	40	5		DFBBMO
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000010543015	425703911	/nfs/dbraw/zinc/70/39/11/425703911.db2.gz	PJGARXUKAVHRKO-OAHLLOKOSA-N	1	1	319.405	2.979	40	5		DFBBMO
[NH3+][C@H](c1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(F)cc1	ZINC000095533251	426373735	/nfs/dbraw/zinc/37/37/35/426373735.db2.gz	OCBVFCQKQMXAMA-ZDUSSCGKSA-N	1	1	313.292	2.567	40	5		DFBBMO
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)C1	ZINC000229860057	426641286	/nfs/dbraw/zinc/64/12/86/426641286.db2.gz	WVFRDXIHUPDJRX-DGCLKSJQSA-N	1	1	305.378	2.962	40	5		DFBBMO
Cc1ccc([C@@H]([NH3+])c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1	ZINC000095534085	426373115	/nfs/dbraw/zinc/37/31/15/426373115.db2.gz	FLDLDVPNTHWVSA-CQSZACIVSA-N	1	1	309.329	2.736	40	5		DFBBMO
Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](CCC(N)=O)C1	ZINC000195553336	323283960	/nfs/dbraw/zinc/28/39/60/323283960.db2.gz	QSEVNJDWCBMFIJ-KBPBESRZSA-N	1	1	319.405	2.942	40	5		DFBBMO
CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1	ZINC000195553373	323284342	/nfs/dbraw/zinc/28/43/42/323284342.db2.gz	YITRCDXXCWDSGP-DZGCQCFKSA-N	1	1	319.405	2.764	40	5		DFBBMO
COc1ccc([C@H](CO)[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000083864181	192388440	/nfs/dbraw/zinc/38/84/40/192388440.db2.gz	VSZOOHGGOWLTJW-KRWDZBQOSA-N	1	1	316.357	2.769	40	5		DFBBMO
CC[N@@H+](C[C@H](O)COc1ccc([N+](=O)[O-])cc1)C1CCCCC1	ZINC000001473297	180869561	/nfs/dbraw/zinc/86/95/61/180869561.db2.gz	SPBKKPJOGBBWHL-INIZCTEOSA-N	1	1	322.405	2.989	40	5		DFBBMO
CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000013670699	425759462	/nfs/dbraw/zinc/75/94/62/425759462.db2.gz	AKZZETJDPBWWOE-HNNXBMFYSA-N	1	1	319.405	2.979	40	5		DFBBMO
COc1cc(N2C[C@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC000078303388	426164693	/nfs/dbraw/zinc/16/46/93/426164693.db2.gz	DAZGMCGHBZIPNQ-BPLDGKMQSA-N	1	1	317.389	2.524	40	5		DFBBMO
Cc1ccc(N2CCC[N@H+](C3CCOCC3)CC2)c([N+](=O)[O-])c1	ZINC000080645851	426215845	/nfs/dbraw/zinc/21/58/45/426215845.db2.gz	QNGGORKHJHLERO-UHFFFAOYSA-N	1	1	319.405	2.594	40	5		DFBBMO
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](CCC(N)=O)C1	ZINC000195553333	323284308	/nfs/dbraw/zinc/28/43/08/323284308.db2.gz	QSEVNJDWCBMFIJ-KGLIPLIRSA-N	1	1	319.405	2.942	40	5		DFBBMO
CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1	ZINC000001473295	425580963	/nfs/dbraw/zinc/58/09/63/425580963.db2.gz	ZDFNYMIILZNFRU-OAHLLOKOSA-N	1	1	322.405	2.989	40	5		DFBBMO
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)C1	ZINC000013371997	425753981	/nfs/dbraw/zinc/75/39/81/425753981.db2.gz	WVFRDXIHUPDJRX-YPMHNXCESA-N	1	1	305.378	2.962	40	5		DFBBMO
Cc1ccc([C@H]([NH3+])c2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1	ZINC000095534094	426374023	/nfs/dbraw/zinc/37/40/23/426374023.db2.gz	KPBQEOHRVCJOKY-AWEZNQCLSA-N	1	1	309.329	2.736	40	5		DFBBMO
O=[N+]([O-])c1ccc(CC[N@H+](CCO)Cc2ccsc2)cc1	ZINC000079350309	426192089	/nfs/dbraw/zinc/19/20/89/426192089.db2.gz	YJZHAGKVVRBLHB-UHFFFAOYSA-N	1	1	306.387	2.693	40	5		DFBBMO
Cn1nccc1[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1	ZINC000084303748	426236445	/nfs/dbraw/zinc/23/64/45/426236445.db2.gz	UMCWDUBZQJJOCP-HNNXBMFYSA-N	1	1	314.389	2.750	40	5		DFBBMO
COc1ccc([C@@H](CO)[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000083864183	192387617	/nfs/dbraw/zinc/38/76/17/192387617.db2.gz	VSZOOHGGOWLTJW-QGZVFWFLSA-N	1	1	316.357	2.769	40	5		DFBBMO
CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1	ZINC000001473293	425581702	/nfs/dbraw/zinc/58/17/02/425581702.db2.gz	ZDFNYMIILZNFRU-HNNXBMFYSA-N	1	1	322.405	2.989	40	5		DFBBMO
C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000004902676	425620448	/nfs/dbraw/zinc/62/04/48/425620448.db2.gz	NFUCVLXXSGLYSO-SNVBAGLBSA-N	1	1	311.769	2.919	40	5		DFBBMO
C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000004902676	425620451	/nfs/dbraw/zinc/62/04/51/425620451.db2.gz	NFUCVLXXSGLYSO-SNVBAGLBSA-N	1	1	311.769	2.919	40	5		DFBBMO
Cc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH+]ccc2-n2cccn2)c1	ZINC000084131364	426232661	/nfs/dbraw/zinc/23/26/61/426232661.db2.gz	OPSMJWHVHLXRAN-UHFFFAOYSA-N	1	1	323.312	2.736	40	5		DFBBMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1	ZINC000081361228	192257062	/nfs/dbraw/zinc/25/70/62/192257062.db2.gz	RKBDOIZKDQCFCB-CQSZACIVSA-N	1	1	319.405	2.707	40	5		DFBBMO