smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)c1cccs1	ZINC000408638494	559222693	/nfs/dbraw/zinc/22/26/93/559222693.db2.gz	RHFWCUBUQUFQRF-LLVKDONJSA-N	-1	0	417.399	1.576	40	5		HDBBRM
COC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C1=O	ZINC000108259462	569353659	/nfs/dbraw/zinc/35/36/59/569353659.db2.gz	XWFWEWWXVKDAAW-YCRREMRBSA-N	-1	0	400.141	1.129	40	5		HDBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000214307913	569381035	/nfs/dbraw/zinc/38/10/35/569381035.db2.gz	PPCDNPFUHFPWMO-MDWZMJQESA-N	-1	0	423.403	1.204	40	5		HDBBRM
CCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])C1=O	ZINC000409239383	560699693	/nfs/dbraw/zinc/69/96/93/560699693.db2.gz	NBBRGQLCRGOBEJ-RUDMXATFSA-N	-1	0	403.132	1.818	40	5		HDBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1	ZINC000223093678	568913912	/nfs/dbraw/zinc/91/39/12/568913912.db2.gz	MCKRMUZTJKAJDJ-UHFFFAOYSA-N	-1	0	401.426	1.850	40	5		HDBBRM
O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C1=O)N1CCCC1	ZINC000205911557	559148412	/nfs/dbraw/zinc/14/84/12/559148412.db2.gz	HCTWWCANXGFJOM-WUXMJOGZSA-N	-1	0	422.375	1.867	40	5		HDBBRM
COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000408962091	560658449	/nfs/dbraw/zinc/65/84/49/560658449.db2.gz	GLRTWCVXSZTXOV-ZSOIEALJSA-N	-1	0	412.358	1.840	40	5		HDBBRM
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224839671	569292004	/nfs/dbraw/zinc/29/20/04/569292004.db2.gz	POYZRDSJHCHVGZ-UHFFFAOYSA-N	-1	0	408.388	1.954	40	5		HDBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1ccc2c(c1)OCCO2	ZINC000225085695	569325093	/nfs/dbraw/zinc/32/50/93/569325093.db2.gz	QAQUCGHYNZMMTB-UHFFFAOYSA-N	-1	0	408.388	1.954	40	5		HDBBRM
CCOC(=O)c1cc([N+](=O)[O-])c([N-]c2nc3nonc3n3cnnc23)c([N+](=O)[O-])c1	ZINC000016687748	569070494	/nfs/dbraw/zinc/07/04/94/569070494.db2.gz	GEJRHITWDUTKIU-UHFFFAOYSA-N	-1	0	415.282	1.397	40	5		HDBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)c1cccs1	ZINC000408638506	559222632	/nfs/dbraw/zinc/22/26/32/559222632.db2.gz	RHFWCUBUQUFQRF-NSHDSACASA-N	-1	0	417.399	1.576	40	5		HDBBRM
O=C(CN1C(=O)N/C(=C/c2cc([O-])ccc2[N+](=O)[O-])C1=O)Nc1ccccc1F	ZINC000409209670	559244757	/nfs/dbraw/zinc/24/47/57/559244757.db2.gz	HBNXYFSVOPHOGL-RIYZIHGNSA-N	-1	0	400.322	1.971	40	5		HDBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(I)ccc2O)[nH]1	ZINC000006321231	559196511	/nfs/dbraw/zinc/19/65/11/559196511.db2.gz	JXCSVXKFQTWNEG-HNQUOIGGSA-N	-1	0	401.116	1.452	40	5		HDBBRM
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c([O-])c([N+](=O)[O-])c3)C2=O)o1	ZINC000110255389	569353799	/nfs/dbraw/zinc/35/37/99/569353799.db2.gz	PLAYJBQXFMFHDG-WZUFQYTHSA-N	-1	0	417.330	1.782	40	5		HDBBRM
Cc1c(N(CC(=O)[O-])S(=O)(=O)c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-]	ZINC000224840070	569292023	/nfs/dbraw/zinc/29/20/23/569292023.db2.gz	YCZDKADZDHFICH-UHFFFAOYSA-N	-1	0	408.388	1.954	40	5		HDBBRM
COc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000408592339	559221393	/nfs/dbraw/zinc/22/13/93/559221393.db2.gz	MFCDJVOVTGLZBR-WUXMJOGZSA-N	-1	0	414.330	1.768	40	5		HDBBRM
COCCNC(=O)CN1C(=O)S/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409216409	560697208	/nfs/dbraw/zinc/69/72/08/560697208.db2.gz	KYBAEGBEFSYDGC-GHXNOFRVSA-N	-1	0	411.392	1.108	40	5		HDBBRM
COc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113889088	569393360	/nfs/dbraw/zinc/39/33/60/569393360.db2.gz	KYMMUGGGSVZVRI-UHFFFAOYSA-N	-1	0	411.348	1.792	40	5		HDBBRM
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409240000	560699948	/nfs/dbraw/zinc/69/99/48/560699948.db2.gz	PEBZWLWXIBHRKD-MDWZMJQESA-N	-1	0	412.358	1.840	40	5		HDBBRM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)c1ccccc1	ZINC000408639744	559222893	/nfs/dbraw/zinc/22/28/93/559222893.db2.gz	YLSZADXVGFRLTG-CQSZACIVSA-N	-1	0	411.370	1.514	40	5		HDBBRM
C[C@@H](CC1(c2ccccc2)C(=O)[N-]C(=O)NC1=O)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006437035	569049186	/nfs/dbraw/zinc/04/91/86/569049186.db2.gz	POLJISBQSIEHPT-LBPRGKRZSA-N	-1	0	411.370	1.834	40	5		HDBBRM
COc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000113890362	569393418	/nfs/dbraw/zinc/39/34/18/569393418.db2.gz	RYVHPLJHQKBYIK-UHFFFAOYSA-N	-1	0	411.348	1.792	40	5		HDBBRM
Cn1c2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])cc2n(C)c1=O	ZINC000408536772	557334628	/nfs/dbraw/zinc/33/46/28/557334628.db2.gz	XYXZTDZJOMHHNZ-UHFFFAOYSA-N	-1	0	407.364	1.494	40	5		HDBBRM
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc([O-])ccc2[N+](=O)[O-])C1=O	ZINC000409229809	559245733	/nfs/dbraw/zinc/24/57/33/559245733.db2.gz	VHBOPGOVKPSEBJ-NTEUORMPSA-N	-1	0	412.358	1.840	40	5		HDBBRM
CCOC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100942635	560763396	/nfs/dbraw/zinc/76/33/96/560763396.db2.gz	ONOCLMMMYKKURJ-WBVHZDCISA-N	-1	0	408.370	1.892	40	5		HDBBRM
CCOC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100942638	560763413	/nfs/dbraw/zinc/76/34/13/560763413.db2.gz	ONOCLMMMYKKURJ-DOTOQJQBSA-N	-1	0	408.370	1.892	40	5		HDBBRM
Cc1nnc(CN2C[C@@]3(F)CN(Cc4ccc([O-])c([N+](=O)[O-])c4)C[C@@]3(F)C2=O)o1	ZINC000306135281	568901384	/nfs/dbraw/zinc/90/13/84/568901384.db2.gz	OMLVERFABDJATH-DLBZAZTESA-N	-1	0	409.349	1.266	40	5		HDBBRM
COC(=O)CSc1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1	ZINC000223140852	568915184	/nfs/dbraw/zinc/91/51/84/568915184.db2.gz	YTEDWMIRQQVGBW-UHFFFAOYSA-N	-1	0	404.451	1.821	40	5		HDBBRM
CCOc1c(OC(C)=O)ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1[N+](=O)[O-]	ZINC000107565753	569352682	/nfs/dbraw/zinc/35/26/82/569352682.db2.gz	HOJUWWKVUUNNFZ-GQCTYLIASA-N	-1	0	406.307	1.374	40	5		HDBBRM
CCOP(=O)(OCC)C(C(=O)OC)=C([O-])C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000008659612	571098434	/nfs/dbraw/zinc/09/84/34/571098434.db2.gz	FFYMTZRIQKPLPP-CYBMUJFWSA-N	-1	0	402.296	1.910	40	5		HDBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000205870326	559066622	/nfs/dbraw/zinc/06/66/22/559066622.db2.gz	JVXBVYAXWPOESW-MDWZMJQESA-N	-1	0	407.404	1.968	40	5		HDBBRM
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2[O-])C1=O	ZINC000409246850	560701610	/nfs/dbraw/zinc/70/16/10/560701610.db2.gz	FILLVAAYDXGVPB-UKTHLTGXSA-N	-1	0	412.358	1.840	40	5		HDBBRM
CNS(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1	ZINC000226862451	568824679	/nfs/dbraw/zinc/82/46/79/568824679.db2.gz	BOHFHDRGOOKGPR-UHFFFAOYSA-N	-1	0	419.412	1.451	40	5		HDBBRM
O=C(CN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O)NC[C@@H]1CCCO1	ZINC000409211922	560695445	/nfs/dbraw/zinc/69/54/45/560695445.db2.gz	OPKVFVXZSARYCI-ODYDIQAQSA-N	-1	0	407.404	1.632	40	5		HDBBRM
COc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000113872720	569393190	/nfs/dbraw/zinc/39/31/90/569393190.db2.gz	MXLYDIMLVLFQOF-UHFFFAOYSA-N	-1	0	423.403	1.842	40	5		HDBBRM
O=C(CN1C(=O)N/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1	ZINC000408962830	560658558	/nfs/dbraw/zinc/65/85/58/560658558.db2.gz	JVMVLRDTXQNQRB-QPEQYQDCSA-N	-1	0	400.322	1.971	40	5		HDBBRM
O=C(CCCCCN1C(=O)C=CC1=O)Oc1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-]	ZINC000002560702	568783766	/nfs/dbraw/zinc/78/37/66/568783766.db2.gz	GEZZBWSKOLMWEW-UHFFFAOYSA-N	-1	0	412.376	1.232	40	5		HDBBRM
CCOC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000005952771	568831825	/nfs/dbraw/zinc/83/18/25/568831825.db2.gz	ONOCLMMMYKKURJ-RDJZCZTQSA-N	-1	0	408.370	1.892	40	5		HDBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)c1ccccc1	ZINC000408639743	559222884	/nfs/dbraw/zinc/22/28/84/559222884.db2.gz	YLSZADXVGFRLTG-AWEZNQCLSA-N	-1	0	411.370	1.514	40	5		HDBBRM
O=C([O-])[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000003040479	568847785	/nfs/dbraw/zinc/84/77/85/568847785.db2.gz	KFHBEVLVEBPREH-HOTGVXAUSA-N	-1	0	405.319	1.185	40	5		HDBBRM
COc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1[O-]	ZINC000205915182	559148377	/nfs/dbraw/zinc/14/83/77/559148377.db2.gz	ANJJJLDKAFEQAA-NTUHNPAUSA-N	-1	0	407.404	1.968	40	5		HDBBRM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)c1C	ZINC000002764458	568807172	/nfs/dbraw/zinc/80/71/72/568807172.db2.gz	VWSIXDQKYPPDGI-UHFFFAOYSA-N	-1	0	420.407	1.836	40	5		HDBBRM
COc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225033806	569323828	/nfs/dbraw/zinc/32/38/28/569323828.db2.gz	FVMOVYXFSHZRRA-UHFFFAOYSA-N	-1	0	411.348	1.792	40	5		HDBBRM
O=C([O-])[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000003040483	568847759	/nfs/dbraw/zinc/84/77/59/568847759.db2.gz	KFHBEVLVEBPREH-CVEARBPZSA-N	-1	0	405.319	1.185	40	5		HDBBRM
CN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)CC1	ZINC000223643471	569030702	/nfs/dbraw/zinc/03/07/02/569030702.db2.gz	PRQQRYWSBPDCEV-UHFFFAOYSA-N	-1	0	404.448	1.783	40	5		HDBBRM
CC(=O)Nc1nonc1[N-][C@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)c1nonc1N	ZINC000008780858	569390396	/nfs/dbraw/zinc/39/03/96/569390396.db2.gz	LLUPQUWHYHRAPY-AWEZNQCLSA-N	-1	0	417.342	1.065	40	5		HDBBRM
CCOP(=O)(OCC)C(C(=O)OC)=C([O-])C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000001627908	569031281	/nfs/dbraw/zinc/03/12/81/569031281.db2.gz	FFYMTZRIQKPLPP-ZDUSSCGKSA-N	-1	0	402.296	1.910	40	5		HDBBRM
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000409236850	560699280	/nfs/dbraw/zinc/69/92/80/560699280.db2.gz	GHOPYRWWWYOUPI-NTEUORMPSA-N	-1	0	412.358	1.840	40	5		HDBBRM
COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000108167643	569353482	/nfs/dbraw/zinc/35/34/82/569353482.db2.gz	VPSOCCVHFDBPKS-FPYGCLRLSA-N	-1	0	400.141	1.129	40	5		HDBBRM
O=c1[nH]c(=O)c2nnc3c4c(nn3c2[nH]1)nnc(-c1ccccc1)c4-c1ccccc1	ZINC000005604464	557664987	/nfs/dbraw/zinc/66/49/87/557664987.db2.gz	USNZLBHVPKLZII-UHFFFAOYSA-N	-1	0	408.381	1.931	40	5		HDBBRM
Cn1cc(Br)c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2[O-])n1	ZINC000005331226	560566114	/nfs/dbraw/zinc/56/61/14/560566114.db2.gz	MBNRRVSEKPNACI-UHFFFAOYSA-N	-1	0	400.214	1.923	40	5		HDBBRM
O=C(CN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O)NC[C@H]1CCCO1	ZINC000409211920	560695413	/nfs/dbraw/zinc/69/54/13/560695413.db2.gz	OPKVFVXZSARYCI-DKTFCQPKSA-N	-1	0	407.404	1.632	40	5		HDBBRM
Cn1c(SCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nnc1-c1cnccn1	ZINC000024614180	568430993	/nfs/dbraw/zinc/43/09/93/568430993.db2.gz	NZWWTFDXBPVDEC-UHFFFAOYSA-N	-1	0	415.391	1.609	40	5		HDBBRM
O=C([O-])[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000003040485	568847776	/nfs/dbraw/zinc/84/77/76/568847776.db2.gz	KFHBEVLVEBPREH-HZPDHXFCSA-N	-1	0	405.319	1.185	40	5		HDBBRM
CCOC(=O)COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OCC	ZINC000059109358	568942624	/nfs/dbraw/zinc/94/26/24/568942624.db2.gz	NHXLFUXNNTVBMO-FNORWQNLSA-N	-1	0	405.363	1.895	40	5		HDBBRM
COc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224838773	569292067	/nfs/dbraw/zinc/29/20/67/569292067.db2.gz	FEEJUTHFCJBGKF-UHFFFAOYSA-N	-1	0	424.387	1.655	40	5		HDBBRM
O=C(CN1C(=O)N/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccccc1F	ZINC000408961445	560658172	/nfs/dbraw/zinc/65/81/72/560658172.db2.gz	CGYKMWCOJUHRQW-QPEQYQDCSA-N	-1	0	400.322	1.971	40	5		HDBBRM
Cc1ccc(S(=O)(=O)NCCNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000059497876	568956753	/nfs/dbraw/zinc/95/67/53/568956753.db2.gz	CZPBCSCUQMBHAM-UHFFFAOYSA-N	-1	0	424.391	1.900	40	5		HDBBRM
COC(=O)CSc1nnc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1	ZINC000224400771	568580339	/nfs/dbraw/zinc/58/03/39/568580339.db2.gz	MYROUSZFOGMHPH-UHFFFAOYSA-N	-1	0	404.451	1.821	40	5		HDBBRM
O=C([O-])[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000003040481	568847782	/nfs/dbraw/zinc/84/77/82/568847782.db2.gz	KFHBEVLVEBPREH-JKSUJKDBSA-N	-1	0	405.319	1.185	40	5		HDBBRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1)c1n[nH]cc1[N+](=O)[O-]	ZINC000008440696	569003039	/nfs/dbraw/zinc/00/30/39/569003039.db2.gz	SWQBFOLBBOYEKE-UHFFFAOYSA-N	-1	0	423.798	1.814	40	5		HDBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-]	ZINC000224782683	569289546	/nfs/dbraw/zinc/28/95/46/569289546.db2.gz	YSAFQQPLVSWGNM-UHFFFAOYSA-N	-1	0	408.388	1.954	40	5		HDBBRM
CCOC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100942631	560763388	/nfs/dbraw/zinc/76/33/88/560763388.db2.gz	ONOCLMMMYKKURJ-NVXWUHKLSA-N	-1	0	408.370	1.892	40	5		HDBBRM
COc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000226863087	559274223	/nfs/dbraw/zinc/27/42/23/559274223.db2.gz	BQTIOQCKABCNPE-UHFFFAOYSA-N	-1	0	405.385	1.191	40	5		HDBBRM
C[C@H](CC1(c2ccccc2)C(=O)[N-]C(=O)NC1=O)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005432287	560587154	/nfs/dbraw/zinc/58/71/54/560587154.db2.gz	POLJISBQSIEHPT-GFCCVEGCSA-N	-1	0	411.370	1.834	40	5		HDBBRM
O=C(CN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2[O-])C1=O)Nc1ccccc1F	ZINC000409209979	560694524	/nfs/dbraw/zinc/69/45/24/560694524.db2.gz	HKTBXLRZKMRAFV-MDWZMJQESA-N	-1	0	400.322	1.971	40	5		HDBBRM
CN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1	ZINC000223651475	569030800	/nfs/dbraw/zinc/03/08/00/569030800.db2.gz	JUQXSNAAYJANRH-UHFFFAOYSA-N	-1	0	404.448	1.783	40	5		HDBBRM
O=C(CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O)Nc1ccccc1F	ZINC000409199827	560692365	/nfs/dbraw/zinc/69/23/65/560692365.db2.gz	FBQMHBRWOFMLIZ-RIYZIHGNSA-N	-1	0	400.322	1.971	40	5		HDBBRM
COc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1[O-]	ZINC000214294315	569380904	/nfs/dbraw/zinc/38/09/04/569380904.db2.gz	FLMQWTKIVXZGTF-NTUHNPAUSA-N	-1	0	423.403	1.204	40	5		HDBBRM
CC(=O)Nc1nonc1[N-][C@@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)c1nonc1N	ZINC000012364320	569400439	/nfs/dbraw/zinc/40/04/39/569400439.db2.gz	LLUPQUWHYHRAPY-CQSZACIVSA-N	-1	0	417.342	1.065	40	5		HDBBRM