smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(N2CC[C@@H](C)[C@H]2C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000301498141	336310428	/nfs/dbraw/zinc/31/04/28/336310428.db2.gz	VKUCVMLBVQRCPA-DGCLKSJQSA-N	1	2	312.373	3.595	10	5		DHBELO
Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccccc3)[nH+]c12	ZINC000004678249	181135236	/nfs/dbraw/zinc/13/52/36/181135236.db2.gz	OKSJCVRRWDNNPQ-UHFFFAOYSA-N	1	2	318.336	3.915	10	5		DHBELO
CCCCc1noc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)n1	ZINC000181525320	521337276	/nfs/dbraw/zinc/33/72/76/521337276.db2.gz	NJGUVGJPUYANIE-CQSZACIVSA-N	1	2	318.377	3.561	10	5		DHBELO
Cc1ccc2c(Nc3ncnc(Cl)c3[N+](=O)[O-])cccc2[nH+]1	ZINC000040571590	183104664	/nfs/dbraw/zinc/10/46/64/183104664.db2.gz	DHZKWVLGJJOSRG-UHFFFAOYSA-N	1	2	315.720	3.638	10	5		DHBELO
CCN(CC)c1ccc(CNc2cc(F)ccc2[N+](=O)[O-])c[nH+]1	ZINC000302794104	336369404	/nfs/dbraw/zinc/36/94/04/336369404.db2.gz	IBWBSZJTFVBLLD-UHFFFAOYSA-N	1	2	318.352	3.587	10	5		DHBELO
O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3c3ccco3)nc2c1	ZINC000177080967	337155259	/nfs/dbraw/zinc/15/52/59/337155259.db2.gz	FMQWBVBLQHPYOW-CYBMUJFWSA-N	1	2	313.313	3.666	10	5		DHBELO
O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3c3ccco3)nc2c1	ZINC000177080967	337155260	/nfs/dbraw/zinc/15/52/60/337155260.db2.gz	FMQWBVBLQHPYOW-CYBMUJFWSA-N	1	2	313.313	3.666	10	5		DHBELO
Cc1ccc(NCc2[nH+]ccn2Cc2ccccc2)c([N+](=O)[O-])c1	ZINC000301829635	336332829	/nfs/dbraw/zinc/33/28/29/336332829.db2.gz	REQGOAQPGQYBIE-UHFFFAOYSA-N	1	2	322.368	3.760	10	5		DHBELO
O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1	ZINC000172180670	337090216	/nfs/dbraw/zinc/09/02/16/337090216.db2.gz	WGBXWSWBHFQWIJ-HNNXBMFYSA-N	1	2	320.780	3.699	10	5		DHBELO
O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1	ZINC000172180670	337090217	/nfs/dbraw/zinc/09/02/17/337090217.db2.gz	WGBXWSWBHFQWIJ-HNNXBMFYSA-N	1	2	320.780	3.699	10	5		DHBELO
CC[C@@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1cccc([N+](=O)[O-])c1	ZINC000181560575	522893959	/nfs/dbraw/zinc/89/39/59/522893959.db2.gz	NRRYSHQQDLBXOM-CYBMUJFWSA-N	1	2	318.377	3.516	10	5		DHBELO
Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1cc[nH+]c(N(C)C)c1	ZINC000302658922	336363766	/nfs/dbraw/zinc/36/37/66/336363766.db2.gz	HWHIXYVNNDYJFP-UHFFFAOYSA-N	1	2	320.780	3.630	10	5		DHBELO
O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1	ZINC000172180668	337090260	/nfs/dbraw/zinc/09/02/60/337090260.db2.gz	WGBXWSWBHFQWIJ-OAHLLOKOSA-N	1	2	320.780	3.699	10	5		DHBELO
O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1	ZINC000172180668	337090261	/nfs/dbraw/zinc/09/02/61/337090261.db2.gz	WGBXWSWBHFQWIJ-OAHLLOKOSA-N	1	2	320.780	3.699	10	5		DHBELO
O=[N+]([O-])c1ccc(F)cc1NCCCc1[nH]c2ccccc2[nH+]1	ZINC000302794603	336369587	/nfs/dbraw/zinc/36/95/87/336369587.db2.gz	ITDUUSYVNGCIMS-UHFFFAOYSA-N	1	2	314.320	3.655	10	5		DHBELO
Cc1cc(N2CC[C@H](C)[C@@H]2C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000301498140	336310473	/nfs/dbraw/zinc/31/04/73/336310473.db2.gz	VKUCVMLBVQRCPA-AAEUAGOBSA-N	1	2	312.373	3.595	10	5		DHBELO
Cc1cccc([N+](=O)[O-])c1NCCc1[nH]c2ccc(F)cc2[nH+]1	ZINC000301737102	336326579	/nfs/dbraw/zinc/32/65/79/336326579.db2.gz	VQJPGNIUSJGPOZ-UHFFFAOYSA-N	1	2	314.320	3.573	10	5		DHBELO
CSC[C@@H](C)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000301327380	336300776	/nfs/dbraw/zinc/30/07/76/336300776.db2.gz	IQGKBQABDGNJED-LLVKDONJSA-N	1	2	318.402	3.524	10	5		DHBELO
O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c(Cl)c1	ZINC000182337499	527348889	/nfs/dbraw/zinc/34/88/89/527348889.db2.gz	NHCCTCGCXQBYFK-HNNXBMFYSA-N	1	2	320.780	3.699	10	5		DHBELO
O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c(Cl)c1	ZINC000182337499	527348895	/nfs/dbraw/zinc/34/88/95/527348895.db2.gz	NHCCTCGCXQBYFK-HNNXBMFYSA-N	1	2	320.780	3.699	10	5		DHBELO
Cc1[nH+]c2ccccc2n1CCNc1cc(F)ccc1[N+](=O)[O-]	ZINC000302860025	336372198	/nfs/dbraw/zinc/37/21/98/336372198.db2.gz	OQNPXBHPWIHOCK-UHFFFAOYSA-N	1	2	314.320	3.504	10	5		DHBELO
O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c(Cl)c1	ZINC000182337474	527348783	/nfs/dbraw/zinc/34/87/83/527348783.db2.gz	NHCCTCGCXQBYFK-OAHLLOKOSA-N	1	2	320.780	3.699	10	5		DHBELO
O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c(Cl)c1	ZINC000182337474	527348789	/nfs/dbraw/zinc/34/87/89/527348789.db2.gz	NHCCTCGCXQBYFK-OAHLLOKOSA-N	1	2	320.780	3.699	10	5		DHBELO
CSC[C@H](C)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000301327381	336300752	/nfs/dbraw/zinc/30/07/52/336300752.db2.gz	IQGKBQABDGNJED-NSHDSACASA-N	1	2	318.402	3.524	10	5		DHBELO
O=[N+]([O-])c1cccc(CN(c2[nH]c3ccccc3[nH+]2)C2CC2)c1	ZINC000301885187	336336261	/nfs/dbraw/zinc/33/62/61/336336261.db2.gz	OLXJJOGWIBHDSQ-UHFFFAOYSA-N	1	2	308.341	3.640	10	5		DHBELO
COc1cc(C[N@@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])cc1F	ZINC000184217082	337197423	/nfs/dbraw/zinc/19/74/23/337197423.db2.gz	WGMCFXLMUZJOCY-CYBMUJFWSA-N	1	2	320.320	3.673	10	5		DHBELO
COc1cc(C[N@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])cc1F	ZINC000184217082	337197424	/nfs/dbraw/zinc/19/74/24/337197424.db2.gz	WGMCFXLMUZJOCY-CYBMUJFWSA-N	1	2	320.320	3.673	10	5		DHBELO
COc1cc(C[N@@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])cc1F	ZINC000184217104	337197449	/nfs/dbraw/zinc/19/74/49/337197449.db2.gz	WGMCFXLMUZJOCY-ZDUSSCGKSA-N	1	2	320.320	3.673	10	5		DHBELO
COc1cc(C[N@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])cc1F	ZINC000184217104	337197450	/nfs/dbraw/zinc/19/74/50/337197450.db2.gz	WGMCFXLMUZJOCY-ZDUSSCGKSA-N	1	2	320.320	3.673	10	5		DHBELO
Cc1cc(N2CC[C@@H](C)[C@@H]2C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000301498143	336310471	/nfs/dbraw/zinc/31/04/71/336310471.db2.gz	VKUCVMLBVQRCPA-YPMHNXCESA-N	1	2	312.373	3.595	10	5		DHBELO
Cc1cc([N+](=O)[O-])ccc1NCCc1[nH]c2ccc(F)cc2[nH+]1	ZINC000301713510	336325139	/nfs/dbraw/zinc/32/51/39/336325139.db2.gz	IXWJPJYFXDSKNA-UHFFFAOYSA-N	1	2	314.320	3.573	10	5		DHBELO
Cc1cc(N(C)CCC2CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000301750733	336327674	/nfs/dbraw/zinc/32/76/74/336327674.db2.gz	ATVDWZOHAABKOE-UHFFFAOYSA-N	1	2	312.373	3.597	10	5		DHBELO
Cc1cc(N[C@H]2CC=CCC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000301331789	336301032	/nfs/dbraw/zinc/30/10/32/336301032.db2.gz	LSGGQGPGQQQLCC-AWEZNQCLSA-N	1	2	310.357	3.881	10	5		DHBELO
O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3c3ccco3)nc2c1	ZINC000177080952	337155273	/nfs/dbraw/zinc/15/52/73/337155273.db2.gz	FMQWBVBLQHPYOW-ZDUSSCGKSA-N	1	2	313.313	3.666	10	5		DHBELO
O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]3c3ccco3)nc2c1	ZINC000177080952	337155274	/nfs/dbraw/zinc/15/52/74/337155274.db2.gz	FMQWBVBLQHPYOW-ZDUSSCGKSA-N	1	2	313.313	3.666	10	5		DHBELO
CCN(CC1CC1)c1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000301273412	336297972	/nfs/dbraw/zinc/29/79/72/336297972.db2.gz	YCRYARMDZTUUAQ-UHFFFAOYSA-N	1	2	312.373	3.597	10	5		DHBELO
Cc1cc(N[C@@H]2CC=CCC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000301331790	336300999	/nfs/dbraw/zinc/30/09/99/336300999.db2.gz	LSGGQGPGQQQLCC-CQSZACIVSA-N	1	2	310.357	3.881	10	5		DHBELO
Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c([N+](=O)[O-])c1	ZINC000301775573	336328980	/nfs/dbraw/zinc/32/89/80/336328980.db2.gz	NVWIENLRDCAZND-UHFFFAOYSA-N	1	2	308.341	3.892	10	5		DHBELO
CCCCc1noc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)n1	ZINC000181525304	521337417	/nfs/dbraw/zinc/33/74/17/521337417.db2.gz	NJGUVGJPUYANIE-AWEZNQCLSA-N	1	2	318.377	3.561	10	5		DHBELO
Cc1cc(N2CC[C@H](C)[C@H]2C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000301498142	336310520	/nfs/dbraw/zinc/31/05/20/336310520.db2.gz	VKUCVMLBVQRCPA-WCQYABFASA-N	1	2	312.373	3.595	10	5		DHBELO
CC[C@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1cccc([N+](=O)[O-])c1	ZINC000181560559	522667478	/nfs/dbraw/zinc/66/74/78/522667478.db2.gz	NRRYSHQQDLBXOM-ZDUSSCGKSA-N	1	2	318.377	3.516	10	5		DHBELO