smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c(O)c(O)c(O)ccc1-c1cccc([N+](=O)[O-])c1	ZINC000013775891	342146673	/nfs/dbraw/zinc/14/66/73/342146673.db2.gz	SGVUAGNGBQKVNH-UHFFFAOYSA-N	-1	2	275.216	1.739	10	5		CDBELM
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnoc1	ZINC000611226338	346691203	/nfs/dbraw/zinc/69/12/03/346691203.db2.gz	KBAXZMFLGGMSNS-UHFFFAOYSA-N	-1	2	299.264	1.398	10	5		CDBELM
O=C([O-])c1cc([N+](=O)[O-])cc(O)c1Br	ZINC000575692512	373865119	/nfs/dbraw/zinc/86/51/19/373865119.db2.gz	XUPDDNRSLCETDP-UHFFFAOYSA-N	-1	2	262.015	1.761	10	5		CDBELM
O=C([O-])[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CC1	ZINC000595985735	343211858	/nfs/dbraw/zinc/21/18/58/343211858.db2.gz	LIBURNRKLPYBAT-JTQLQIEISA-N	-1	2	280.236	1.350	10	5		CDBELM
Cc1cc(NS(=O)(=O)CC(=O)[O-])c([N+](=O)[O-])cc1C	ZINC000050439719	525285624	/nfs/dbraw/zinc/28/56/24/525285624.db2.gz	PAYIOOSNKLBLNQ-UHFFFAOYSA-N	-1	2	288.281	1.038	10	5		CDBELM
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cccc(O)c1[N+](=O)[O-]	ZINC000422038789	392950210	/nfs/dbraw/zinc/95/02/10/392950210.db2.gz	QPZMJGZRNFQUON-JTQLQIEISA-N	-1	2	293.323	1.467	10	5		CDBELM
O=[N+]([O-])c1ccc(O[P@](=O)([O-])O)c(Cl)c1	ZINC000038777485	356966074	/nfs/dbraw/zinc/96/60/74/356966074.db2.gz	IKQSNKKSCOCCOD-UHFFFAOYSA-N	-1	2	253.534	1.720	10	5		CDBELM
O=[N+]([O-])c1ccc(O[P@@](=O)([O-])O)c(Cl)c1	ZINC000038777485	356966080	/nfs/dbraw/zinc/96/60/80/356966080.db2.gz	IKQSNKKSCOCCOD-UHFFFAOYSA-N	-1	2	253.534	1.720	10	5		CDBELM
C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000344556004	391123002	/nfs/dbraw/zinc/12/30/02/391123002.db2.gz	YVTCNGIEGZMGDR-DTWKUNHWSA-N	-1	2	254.286	1.407	10	5		CDBELM
O=C([O-])c1cc(Br)cc(O)c1[N+](=O)[O-]	ZINC000575691557	373862373	/nfs/dbraw/zinc/86/23/73/373862373.db2.gz	NXCOUJNWQMLJRA-UHFFFAOYSA-N	-1	2	262.015	1.761	10	5		CDBELM
Cc1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)no1	ZINC000037326265	173127309	/nfs/dbraw/zinc/12/73/09/173127309.db2.gz	IRRDHPGSWZNWOK-UHFFFAOYSA-N	-1	2	299.264	1.398	10	5		CDBELM
O=C([O-])c1cc(O)c(Br)cc1[N+](=O)[O-]	ZINC000575692566	373866334	/nfs/dbraw/zinc/86/63/34/373866334.db2.gz	YXRDRTMMQXNDIW-UHFFFAOYSA-N	-1	2	262.015	1.761	10	5		CDBELM
O=c1[nH]ccc(N[C@H]2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-]	ZINC000596237203	343282919	/nfs/dbraw/zinc/28/29/19/343282919.db2.gz	BBCJZOZZKXJRPI-ZETCQYMHSA-N	-1	2	275.268	1.388	10	5		CDBELM
O=c1[nH]ccc(N[C@H]2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-]	ZINC000596237203	343282920	/nfs/dbraw/zinc/28/29/20/343282920.db2.gz	BBCJZOZZKXJRPI-ZETCQYMHSA-N	-1	2	275.268	1.388	10	5		CDBELM
O=C([O-])c1cc(O)c([N+](=O)[O-])cc1Br	ZINC000575690826	373867599	/nfs/dbraw/zinc/86/75/99/373867599.db2.gz	CLVMWAAHKHZMNJ-UHFFFAOYSA-N	-1	2	262.015	1.761	10	5		CDBELM
C[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])[N@H+](C)C1CC1	ZINC000281000759	393154415	/nfs/dbraw/zinc/15/44/15/393154415.db2.gz	RFMARTLDXUSHKV-VIFPVBQESA-N	-1	2	293.323	1.513	10	5		CDBELM
CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000217315945	140163653	/nfs/dbraw/zinc/16/36/53/140163653.db2.gz	NHCSWEZZFXCLCR-SNVBAGLBSA-N	-1	2	293.323	1.467	10	5		CDBELM
C[N@@H+]1CCC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1	ZINC000234337025	342043847	/nfs/dbraw/zinc/04/38/47/342043847.db2.gz	VZGMPDDWVBGDLD-SNVBAGLBSA-N	-1	2	293.323	1.372	10	5		CDBELM
C[NH+](C)CCOC(=S)Nc1ccc([N+](=O)[O-])cc1	ZINC000071783935	342556442	/nfs/dbraw/zinc/55/64/42/342556442.db2.gz	LGSVYDDTCPOKLI-UHFFFAOYSA-N	-1	2	269.326	1.870	10	5		CDBELM
CCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000037591848	173540160	/nfs/dbraw/zinc/54/01/60/173540160.db2.gz	YJOSFKBGOPCNIE-UHFFFAOYSA-N	-1	2	274.254	1.055	10	5		CDBELM
O=C([O-])[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CC1	ZINC000595985745	343211947	/nfs/dbraw/zinc/21/19/47/343211947.db2.gz	LIBURNRKLPYBAT-SNVBAGLBSA-N	-1	2	280.236	1.350	10	5		CDBELM
O=C(N=c1nc(-c2ccsc2)[n-]s1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000365162505	527456691	/nfs/dbraw/zinc/45/66/91/527456691.db2.gz	BCLPZYBFWYJNDF-RNFRBKRXSA-N	-1	2	296.333	1.292	10	5		CDBELM
C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000807271746	820352119	/nfs/dbraw/zinc/35/21/19/820352119.db2.gz	LCEOJEKWNWAYGF-JTQLQIEISA-N	-1	2	293.323	1.515	10	5		CDBELM
C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@H+](C)C1CC1	ZINC000229980345	140204594	/nfs/dbraw/zinc/20/45/94/140204594.db2.gz	NEHPRXZAMHYUKV-VIFPVBQESA-N	-1	2	293.323	1.513	10	5		CDBELM
C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000330443734	374853090	/nfs/dbraw/zinc/85/30/90/374853090.db2.gz	BPFHOXOGNBJCHJ-QWRGUYRKSA-N	-1	2	279.340	1.825	10	5		CDBELM
O=C([O-])c1cc([N+](=O)[O-])c(O)cc1Br	ZINC000575436231	364967573	/nfs/dbraw/zinc/96/75/73/364967573.db2.gz	MWYWMDZVAMQANL-UHFFFAOYSA-N	-1	2	262.015	1.761	10	5		CDBELM
C[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C	ZINC000217316076	140162919	/nfs/dbraw/zinc/16/29/19/140162919.db2.gz	BFUKRPUCENMSMX-VHSXEESVSA-N	-1	2	293.323	1.513	10	5		CDBELM
C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1	ZINC000234333382	342043998	/nfs/dbraw/zinc/04/39/98/342043998.db2.gz	VZGMPDDWVBGDLD-JTQLQIEISA-N	-1	2	293.323	1.372	10	5		CDBELM
O=C([O-])c1cc(O)cc(Br)c1[N+](=O)[O-]	ZINC000575692041	373867117	/nfs/dbraw/zinc/86/71/17/373867117.db2.gz	SUNUXFALMZIUSZ-UHFFFAOYSA-N	-1	2	262.015	1.761	10	5		CDBELM
COc1cc(C[NH2+]Cc2ccn(C)n2)c([N+](=O)[O-])cc1O	ZINC000345813406	363965874	/nfs/dbraw/zinc/96/58/74/363965874.db2.gz	FRLCHSZORIEFKM-UHFFFAOYSA-N	-1	2	292.295	1.332	10	5		CDBELM
CN(CCCC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000344051504	152403032	/nfs/dbraw/zinc/40/30/32/152403032.db2.gz	KRQRFGZAKJHCMZ-UHFFFAOYSA-N	-1	2	282.252	1.237	10	5		CDBELM
O=C([O-])c1nn(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1O	ZINC000051041462	526410811	/nfs/dbraw/zinc/41/08/11/526410811.db2.gz	YPGPTSUIAMWVIC-UHFFFAOYSA-N	-1	2	294.179	1.093	10	5		CDBELM
C[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C	ZINC000217316075	140163906	/nfs/dbraw/zinc/16/39/06/140163906.db2.gz	BFUKRPUCENMSMX-NXEZZACHSA-N	-1	2	293.323	1.513	10	5		CDBELM
C[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C	ZINC000217316074	140162974	/nfs/dbraw/zinc/16/29/74/140162974.db2.gz	BFUKRPUCENMSMX-UWVGGRQHSA-N	-1	2	293.323	1.513	10	5		CDBELM
O=C([O-])CCc1cc([N+](=O)[O-])c(O)c2ncccc12	ZINC000057347177	304064098	/nfs/dbraw/zinc/06/40/98/304064098.db2.gz	UPCWOWWIYKYYSD-UHFFFAOYSA-N	-1	2	262.221	1.866	10	5		CDBELM
CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000217315944	140164020	/nfs/dbraw/zinc/16/40/20/140164020.db2.gz	NHCSWEZZFXCLCR-JTQLQIEISA-N	-1	2	293.323	1.467	10	5		CDBELM
CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000339086231	359283390	/nfs/dbraw/zinc/28/33/90/359283390.db2.gz	YBLRQVCGBCMIST-UWVGGRQHSA-N	-1	2	296.323	1.978	10	5		CDBELM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnoc2)ccc1[O-]	ZINC000060393602	357591454	/nfs/dbraw/zinc/59/14/54/357591454.db2.gz	SZSBDGGEYZFQLQ-UHFFFAOYSA-N	-1	2	285.237	1.089	10	5		CDBELM
O=c1[nH]ccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-]	ZINC000596237201	343282926	/nfs/dbraw/zinc/28/29/26/343282926.db2.gz	BBCJZOZZKXJRPI-SSDOTTSWSA-N	-1	2	275.268	1.388	10	5		CDBELM
O=c1[nH]ccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-]	ZINC000596237201	343282927	/nfs/dbraw/zinc/28/29/27/343282927.db2.gz	BBCJZOZZKXJRPI-SSDOTTSWSA-N	-1	2	275.268	1.388	10	5		CDBELM
O=C([O-])c1c(Br)ccc([N+](=O)[O-])c1O	ZINC000575692544	373867222	/nfs/dbraw/zinc/86/72/22/373867222.db2.gz	YNBKOAGQNZOGHU-UHFFFAOYSA-N	-1	2	262.015	1.761	10	5		CDBELM
CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccc(O)c1[N+](=O)[O-]	ZINC000422038792	392950776	/nfs/dbraw/zinc/95/07/76/392950776.db2.gz	QPZMJGZRNFQUON-SNVBAGLBSA-N	-1	2	293.323	1.467	10	5		CDBELM
O=C([O-])c1c(Br)c(O)ccc1[N+](=O)[O-]	ZINC000575692540	373867410	/nfs/dbraw/zinc/86/74/10/373867410.db2.gz	YLZXCBDYLUZTPV-UHFFFAOYSA-N	-1	2	262.015	1.761	10	5		CDBELM
O=C([O-])CN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000593920451	342851685	/nfs/dbraw/zinc/85/16/85/342851685.db2.gz	AABWBQKJZPBMTQ-UHFFFAOYSA-N	-1	2	294.263	1.237	10	5		CDBELM
CC(=O)c1cc(F)c([O-])c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1	ZINC001596943790	1174250364	/nfs/dbraw/zinc/25/03/64/1174250364.db2.gz	UACWJCWPXIWFAM-GMSGAONNSA-N	-1	2	282.227	1.338	10	5		CDBELM
C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000330443732	374854235	/nfs/dbraw/zinc/85/42/35/374854235.db2.gz	BPFHOXOGNBJCHJ-GHMZBOCLSA-N	-1	2	279.340	1.825	10	5		CDBELM
C[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C	ZINC000217316073	140163280	/nfs/dbraw/zinc/16/32/80/140163280.db2.gz	BFUKRPUCENMSMX-ZJUUUORDSA-N	-1	2	293.323	1.513	10	5		CDBELM