smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OC[C@H](O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	ZINC000004550618	204052568	/nfs/dbraw/zinc/05/25/68/204052568.db2.gz	IGUCAOBXOBJUGS-CYBMUJFWSA-N	0	2	376.365	1.782	50	5		GDBALN
COC(=O)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C(=O)OC)c1	ZINC000002058213	570500678	/nfs/dbraw/zinc/50/06/78/570500678.db2.gz	QFKKGEUZMVZHFB-UHFFFAOYSA-N	0	2	394.361	1.969	50	5		GDBALN
CS(=O)(=O)c1ccc([S@@](=O)CC(=O)OC2CCCCC2)c([N+](=O)[O-])c1	ZINC000000952016	530531325	/nfs/dbraw/zinc/53/13/25/530531325.db2.gz	UEJZJMVUIVWINS-XMMPIXPASA-N	0	2	389.451	1.982	50	5		GDBALN
Cc1ccc(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)c([N+](=O)[O-])c1	ZINC000007883138	204254213	/nfs/dbraw/zinc/25/42/13/204254213.db2.gz	LMUGAAWNOCYTNK-CYBMUJFWSA-N	0	2	378.410	1.562	50	5		GDBALN
CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000012521082	530556076	/nfs/dbraw/zinc/55/60/76/530556076.db2.gz	LAXMMKZGCMBZAJ-UHFFFAOYSA-N	0	2	385.423	1.694	50	5		GDBALN
COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1	ZINC000040448002	205064850	/nfs/dbraw/zinc/06/48/50/205064850.db2.gz	WTUDJMJAHNANBL-UHFFFAOYSA-N	0	2	396.377	1.956	50	5		GDBALN
CCOc1cc([C@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc([N+](=O)[O-])c1O	ZINC000015016772	570792944	/nfs/dbraw/zinc/79/29/44/570792944.db2.gz	ATDDEYHHVLYQDE-ZDUSSCGKSA-N	0	2	375.341	1.753	50	5		GDBALN
CCOc1cc([C@@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc([N+](=O)[O-])c1O	ZINC000015016771	570805980	/nfs/dbraw/zinc/80/59/80/570805980.db2.gz	ATDDEYHHVLYQDE-CYBMUJFWSA-N	0	2	375.341	1.753	50	5		GDBALN
CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000034924586	570810098	/nfs/dbraw/zinc/81/00/98/570810098.db2.gz	UYRCRPXKGACVJM-ZDUSSCGKSA-N	0	2	375.341	1.753	50	5		GDBALN
CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	ZINC000101592227	570826788	/nfs/dbraw/zinc/82/67/88/570826788.db2.gz	XISGFXBMIADESE-RDJZCZTQSA-N	0	2	395.327	1.813	50	5		GDBALN
CS(=O)(=O)Nc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)s1	ZINC000001780548	530532018	/nfs/dbraw/zinc/53/20/18/530532018.db2.gz	KYXBIDOLIRCKFH-UHFFFAOYSA-N	0	2	389.440	1.549	50	5		GDBALN
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(Br)c1O	ZINC000030840433	530601113	/nfs/dbraw/zinc/60/11/13/530601113.db2.gz	WDVLEOJQXOYKOG-IHWYPQMZSA-N	0	2	384.142	1.619	50	5		GDBALN
CS(=O)(=O)c1ccc([S@](=O)CC(=O)OC2CCCCC2)c([N+](=O)[O-])c1	ZINC000006682074	204191826	/nfs/dbraw/zinc/19/18/26/204191826.db2.gz	UEJZJMVUIVWINS-DEOSSOPVSA-N	0	2	389.451	1.982	50	5		GDBALN
O=C1NC(=O)c2cc(-c3ccc(C=Cc4[nH]c(=O)[nH]c(=O)c4[N+](=O)[O-])o3)ccc21	ZINC000008860813	204291469	/nfs/dbraw/zinc/29/14/69/204291469.db2.gz	BLBHRXMEEQXVDI-GORDUTHDSA-N	0	2	394.299	1.698	50	5		GDBALN
CCn1nc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)c1C	ZINC000072295580	205320068	/nfs/dbraw/zinc/32/00/68/205320068.db2.gz	BXLLJYNYQPJBKV-UHFFFAOYSA-N	0	2	383.430	1.633	50	5		GDBALN
NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1	ZINC000365629068	570810721	/nfs/dbraw/zinc/81/07/21/570810721.db2.gz	RVPKRWUJPNWLSB-GFCCVEGCSA-N	0	2	385.445	1.574	50	5		GDBALN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(O)=C23)cc1OC	ZINC000102550467	570853923	/nfs/dbraw/zinc/85/39/23/570853923.db2.gz	RVJLFDUNQAHSQX-NVXWUHKLSA-N	0	2	397.343	1.905	50	5		GDBALN
COC(=O)c1ccccc1N1C(=O)[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@H]2C1=O	ZINC000103530532	570885708	/nfs/dbraw/zinc/88/57/08/570885708.db2.gz	IUEZNBBMNDWXAK-GDBMZVCRSA-N	0	2	395.327	1.674	50	5		GDBALN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1S(N)(=O)=O	ZINC000040155199	207355434	/nfs/dbraw/zinc/35/54/34/207355434.db2.gz	GERBZLGVNPPGTO-UHFFFAOYSA-N	0	2	387.395	1.052	50	5		GDBALN
CCCc1nn2c(nc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2=O)[nH]1	ZINC000015936860	207067485	/nfs/dbraw/zinc/06/74/85/207067485.db2.gz	VTPKLXWUWLEORM-UHFFFAOYSA-N	0	2	392.397	1.800	50	5		GDBALN
O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2	ZINC000100846227	208382579	/nfs/dbraw/zinc/38/25/79/208382579.db2.gz	RJKPZJOBQKDYHJ-WBVHZDCISA-N	0	2	395.327	1.659	50	5		GDBALN
Cc1nn(C)c(C)c1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000032895515	207416476	/nfs/dbraw/zinc/41/64/76/207416476.db2.gz	MJXQZXNJDSYYQR-UHFFFAOYSA-N	0	2	382.398	1.907	50	5		GDBALN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1	ZINC000095459971	208185771	/nfs/dbraw/zinc/18/57/71/208185771.db2.gz	YHJHTPGMMNTYIF-UHFFFAOYSA-N	0	2	391.365	1.379	50	5		GDBALN
COc1ccc(S(=O)(=O)Nc2ccc(Cc3nn[nH]n3)cc2)c([N+](=O)[O-])c1	ZINC000078714653	208064879	/nfs/dbraw/zinc/06/48/79/208064879.db2.gz	SNTDIMCZRGMZBI-UHFFFAOYSA-N	0	2	390.381	1.508	50	5		GDBALN
CC(=O)N1N=C(c2c(O)[nH]c(=S)n(C)c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000101764501	208399036	/nfs/dbraw/zinc/39/90/36/208399036.db2.gz	DFRBNOQCIMORSF-GFCCVEGCSA-N	0	2	389.393	1.754	50	5		GDBALN
CC(=O)N1N=C(c2c(=O)[nH]c(=S)n(C)c2O)C[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000101764501	208399041	/nfs/dbraw/zinc/39/90/41/208399041.db2.gz	DFRBNOQCIMORSF-GFCCVEGCSA-N	0	2	389.393	1.754	50	5		GDBALN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(O)=C23)cc1OC	ZINC000103519278	570886098	/nfs/dbraw/zinc/88/60/98/570886098.db2.gz	GMLKAZZYJGHRQO-RDJZCZTQSA-N	0	2	397.343	1.905	50	5		GDBALN
COc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)c([N+](=O)[O-])c1	ZINC000026539528	207316933	/nfs/dbraw/zinc/31/69/33/207316933.db2.gz	YKJCQYCAOFPKNO-UHFFFAOYSA-N	0	2	375.366	1.985	50	5		GDBALN
O=C1NC(=O)c2cc(-c3ccc(C=Cc4[nH]c(=O)[nH]c(=O)c4[N+](=O)[O-])o3)ccc21	ZINC000033919407	570506931	/nfs/dbraw/zinc/50/69/31/570506931.db2.gz	BLBHRXMEEQXVDI-DJWKRKHSSA-N	0	2	394.299	1.698	50	5		GDBALN
CON(C)C(=O)Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000032899687	570895223	/nfs/dbraw/zinc/89/52/23/570895223.db2.gz	FZJPHVDGFOFIHE-UHFFFAOYSA-N	0	2	379.394	1.958	50	5		GDBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2I)[nH]1	ZINC000012351826	530556163	/nfs/dbraw/zinc/55/61/63/530556163.db2.gz	CFQLRLBQQIJYRD-AATRIKPKSA-N	0	2	385.117	1.746	50	5		GDBALN
CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000034924585	570810048	/nfs/dbraw/zinc/81/00/48/570810048.db2.gz	UYRCRPXKGACVJM-CYBMUJFWSA-N	0	2	375.341	1.753	50	5		GDBALN
CC(=O)Oc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1	ZINC000101592237	570826906	/nfs/dbraw/zinc/82/69/06/570826906.db2.gz	XISGFXBMIADESE-NVXWUHKLSA-N	0	2	395.327	1.813	50	5		GDBALN
COC(=O)c1ccccc1N1C(=O)[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@@H]2C1=O	ZINC000100829515	208383526	/nfs/dbraw/zinc/38/35/26/208383526.db2.gz	MMMQHJFAHMNBHD-ZBFHGGJFSA-N	0	2	395.327	1.674	50	5		GDBALN
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(O)=C23)cc1OC	ZINC000103519273	570886272	/nfs/dbraw/zinc/88/62/72/570886272.db2.gz	GMLKAZZYJGHRQO-NVXWUHKLSA-N	0	2	397.343	1.905	50	5		GDBALN
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(O)=C23)cc1OC	ZINC000103519276	570886286	/nfs/dbraw/zinc/88/62/86/570886286.db2.gz	GMLKAZZYJGHRQO-DOTOQJQBSA-N	0	2	397.343	1.905	50	5		GDBALN
COC(=O)c1ccccc1N1C(=O)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	ZINC000103611506	570887820	/nfs/dbraw/zinc/88/78/20/570887820.db2.gz	MMMQHJFAHMNBHD-HOCLYGCPSA-N	0	2	395.327	1.674	50	5		GDBALN
O=[N+]([O-])c1ccc(SC(=S)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000003149079	530533672	/nfs/dbraw/zinc/53/36/72/530533672.db2.gz	CNPDKCXMKZVVPE-SSDOTTSWSA-N	0	2	377.425	1.657	50	5		GDBALN
NS(=O)(=O)c1ccc(Nc2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000022589837	207256605	/nfs/dbraw/zinc/25/66/05/207256605.db2.gz	ABNCQGURPDBDSJ-UHFFFAOYSA-N	0	2	380.298	1.430	50	5		GDBALN
COc1ccc(NC(=O)C[C@@H]2SC(N3CCOCC3)=NC2=O)c([N+](=O)[O-])c1	ZINC000009154196	221071106	/nfs/dbraw/zinc/07/11/06/221071106.db2.gz	SNRYXPIOYATXPJ-ZDUSSCGKSA-N	0	2	394.409	1.262	50	5		GDBALN
NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1	ZINC000365629073	570810835	/nfs/dbraw/zinc/81/08/35/570810835.db2.gz	RVPKRWUJPNWLSB-LBPRGKRZSA-N	0	2	385.445	1.574	50	5		GDBALN
O=[N+]([O-])c1ccc(SC(=S)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000013303033	210057311	/nfs/dbraw/zinc/05/73/11/210057311.db2.gz	CNPDKCXMKZVVPE-ZETCQYMHSA-N	0	2	377.425	1.657	50	5		GDBALN
O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc2c(c1)OCCO2	ZINC000103615913	211617736	/nfs/dbraw/zinc/61/77/36/211617736.db2.gz	RJKPZJOBQKDYHJ-NVXWUHKLSA-N	0	2	395.327	1.659	50	5		GDBALN
COC(=O)c1ccccc1N1C(=O)[C@@H]2C(c3cccc([N+](=O)[O-])c3)=NO[C@@H]2C1=O	ZINC000101011938	211395032	/nfs/dbraw/zinc/39/50/32/211395032.db2.gz	IUEZNBBMNDWXAK-ZBFHGGJFSA-N	0	2	395.327	1.674	50	5		GDBALN
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2)c([N+](=O)[O-])c1	ZINC000028246438	530591506	/nfs/dbraw/zinc/59/15/06/530591506.db2.gz	MOCVDOIYLOOVBB-UHFFFAOYSA-N	0	2	385.423	1.646	50	5		GDBALN
CC(CNc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000100034269	211382763	/nfs/dbraw/zinc/38/27/63/211382763.db2.gz	LOPDYRBBSXWADO-UHFFFAOYSA-N	0	2	394.640	1.746	50	5		GDBALN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(O)=C23)cc1OC	ZINC000101270846	211396871	/nfs/dbraw/zinc/39/68/71/211396871.db2.gz	RVJLFDUNQAHSQX-WBVHZDCISA-N	0	2	397.343	1.905	50	5		GDBALN
COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)cc([N+](=O)[O-])c1O	ZINC000020058253	210315261	/nfs/dbraw/zinc/31/52/61/210315261.db2.gz	VJENMDSEFQBGFK-UHFFFAOYSA-N	0	2	375.341	1.963	50	5		GDBALN
CC(=O)Oc1ccc(N2C(=O)[C@@H]3C(c4ccc([N+](=O)[O-])cc4)=NO[C@@H]3C2=O)cc1	ZINC000100843064	211391786	/nfs/dbraw/zinc/39/17/86/211391786.db2.gz	XISGFXBMIADESE-WBVHZDCISA-N	0	2	395.327	1.813	50	5		GDBALN
COCCN1C(=O)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2C1=O	ZINC000035900085	570475608	/nfs/dbraw/zinc/47/56/08/570475608.db2.gz	SOMASSMIFTWTHC-UHFFFAOYSA-N	0	2	385.332	1.795	50	5		GDBALN
COC(=O)COc1c(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cccc1OC	ZINC000015009343	210142909	/nfs/dbraw/zinc/14/29/09/210142909.db2.gz	VALGBMAMOYDYGE-VOTSOKGWSA-N	0	2	377.309	1.115	50	5		GDBALN
CC(=O)O[C@@H]1CO[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@H]1OC(=O)O	ZINC000252624973	571038666	/nfs/dbraw/zinc/03/86/66/571038666.db2.gz	PZUUJSPKIMQDBK-CBBWQLFWSA-N	0	2	399.308	1.257	50	5		GDBALN
O=c1nc2n(-c3cccc([N+](=O)[O-])c3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[nH]1	ZINC000006445428	570424187	/nfs/dbraw/zinc/42/41/87/570424187.db2.gz	IICDUSHDTASIMA-UHFFFAOYSA-N	0	2	379.288	1.995	50	5		GDBALN
O=C1[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C(O)N1c1ccc([N+](=O)[O-])cc1	ZINC000103560553	570886616	/nfs/dbraw/zinc/88/66/16/570886616.db2.gz	HJSZGCVBLOWSJA-UKRRQHHQSA-N	0	2	382.288	1.796	50	5		GDBALN
O=C1[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000103560553	570886620	/nfs/dbraw/zinc/88/66/20/570886620.db2.gz	HJSZGCVBLOWSJA-UKRRQHHQSA-N	0	2	382.288	1.796	50	5		GDBALN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(O)=C23)cc1OC	ZINC000102550474	570854075	/nfs/dbraw/zinc/85/40/75/570854075.db2.gz	RVJLFDUNQAHSQX-DOTOQJQBSA-N	0	2	397.343	1.905	50	5		GDBALN
COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000005345072	570557273	/nfs/dbraw/zinc/55/72/73/570557273.db2.gz	RJHBYJIILINUBV-UHFFFAOYSA-N	0	2	394.361	1.969	50	5		GDBALN
CC(=O)Oc1ccc(N2C(=O)[C@@H]3C(c4cccc([N+](=O)[O-])c4)=NO[C@@H]3C2=O)cc1	ZINC000101008099	570786221	/nfs/dbraw/zinc/78/62/21/570786221.db2.gz	MFUYJJOIVFQJKJ-WBVHZDCISA-N	0	2	395.327	1.813	50	5		GDBALN
COC(=O)c1ccccc1N1C(=O)[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O	ZINC000103611516	570887783	/nfs/dbraw/zinc/88/77/83/570887783.db2.gz	MMMQHJFAHMNBHD-GDBMZVCRSA-N	0	2	395.327	1.674	50	5		GDBALN
CC(=O)O[C@@H]1CO[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@@H]1OC(=O)O	ZINC000169620230	570560545	/nfs/dbraw/zinc/56/05/45/570560545.db2.gz	PZUUJSPKIMQDBK-APIJFGDWSA-N	0	2	399.308	1.257	50	5		GDBALN
COC(=O)COc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1	ZINC000024957950	570376540	/nfs/dbraw/zinc/37/65/40/570376540.db2.gz	OWHMCUXICLRQGP-UHFFFAOYSA-N	0	2	396.377	1.956	50	5		GDBALN
O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2	ZINC000103615921	570887316	/nfs/dbraw/zinc/88/73/16/570887316.db2.gz	RJKPZJOBQKDYHJ-RDJZCZTQSA-N	0	2	395.327	1.659	50	5		GDBALN
CN(c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)S(C)(=O)=O	ZINC000002843302	530532698	/nfs/dbraw/zinc/53/26/98/530532698.db2.gz	ONDPCZOMBALZAF-UHFFFAOYSA-N	0	2	385.423	1.791	50	5		GDBALN
CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000101593125	570826860	/nfs/dbraw/zinc/82/68/60/570826860.db2.gz	MFUYJJOIVFQJKJ-RDJZCZTQSA-N	0	2	395.327	1.813	50	5		GDBALN
COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1SC(N2CCOCC2)=NC1=O	ZINC000009962057	221095453	/nfs/dbraw/zinc/09/54/53/221095453.db2.gz	GNVYPWIZIMWLBT-ZDUSSCGKSA-N	0	2	394.409	1.262	50	5		GDBALN
CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)OC	ZINC000009235282	221074545	/nfs/dbraw/zinc/07/45/45/221074545.db2.gz	HFVIOVVULNRPEY-GQCTYLIASA-N	0	2	391.336	1.092	50	5		GDBALN
O=C(CN1C(=O)N/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1	ZINC000100253475	570343657	/nfs/dbraw/zinc/34/36/57/570343657.db2.gz	FHGQHWFKHPMKAO-MDWZMJQESA-N	0	2	382.332	1.832	50	5		GDBALN
CCNC(=O)COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000026548646	570341982	/nfs/dbraw/zinc/34/19/82/570341982.db2.gz	DXILQWJPXFMKES-UHFFFAOYSA-N	0	2	379.394	1.911	50	5		GDBALN
O=C1[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C(O)N1c1ccc([N+](=O)[O-])cc1	ZINC000101048402	570787776	/nfs/dbraw/zinc/78/77/76/570787776.db2.gz	HJSZGCVBLOWSJA-HIFRSBDPSA-N	0	2	382.288	1.796	50	5		GDBALN
O=C1[C@@H]2C(c3cccc([N+](=O)[O-])c3)=NO[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000101048402	570787780	/nfs/dbraw/zinc/78/77/80/570787780.db2.gz	HJSZGCVBLOWSJA-HIFRSBDPSA-N	0	2	382.288	1.796	50	5		GDBALN
CC(=O)N1N=C(c2c(O)[nH]c(=S)n(C)c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000101764494	570833353	/nfs/dbraw/zinc/83/33/53/570833353.db2.gz	DFRBNOQCIMORSF-LBPRGKRZSA-N	0	2	389.393	1.754	50	5		GDBALN
COC(=O)c1ccccc1N1C(=O)[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	ZINC000103530524	570885810	/nfs/dbraw/zinc/88/58/10/570885810.db2.gz	IUEZNBBMNDWXAK-HOCLYGCPSA-N	0	2	395.327	1.674	50	5		GDBALN
O=C1[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C(O)N1c1ccc([N+](=O)[O-])cc1	ZINC000103560565	570886824	/nfs/dbraw/zinc/88/68/24/570886824.db2.gz	HJSZGCVBLOWSJA-ZFWWWQNUSA-N	0	2	382.288	1.796	50	5		GDBALN
O=C1[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000103560565	570886828	/nfs/dbraw/zinc/88/68/28/570886828.db2.gz	HJSZGCVBLOWSJA-ZFWWWQNUSA-N	0	2	382.288	1.796	50	5		GDBALN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1	ZINC000009569123	212195629	/nfs/dbraw/zinc/19/56/29/212195629.db2.gz	KYUJCSFWEPSWER-UHFFFAOYSA-N	0	2	397.434	1.936	50	5		GDBALN
COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1S(N)(=O)=O	ZINC000009490986	221082702	/nfs/dbraw/zinc/08/27/02/221082702.db2.gz	VSEZWMCNECLEER-UHFFFAOYSA-N	0	2	387.395	1.052	50	5		GDBALN
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(OC)c1OC(C)=O	ZINC000012379972	221186420	/nfs/dbraw/zinc/18/64/20/221186420.db2.gz	CZYAFEVUNRCEGU-SNAWJCMRSA-N	0	2	377.309	1.084	50	5		GDBALN
CC(=O)Oc1ccc(N2C(=O)[C@@H]3ON=C(c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000101593136	570827016	/nfs/dbraw/zinc/82/70/16/570827016.db2.gz	MFUYJJOIVFQJKJ-NVXWUHKLSA-N	0	2	395.327	1.813	50	5		GDBALN