smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc([C@H]2C[NH2+][C@@H](c3ccccc3Cl)O2)cc1	ZINC000019805832	257268831	/nfs/dbraw/zinc/26/88/31/257268831.db2.gz	HDEINWKFOMDNAV-HUUCEWRRSA-N	1	1	304.733	3.608	50	5		DHBAMO
C[C@H]([N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)C	ZINC000052557460	563789150	/nfs/dbraw/zinc/78/91/50/563789150.db2.gz	LJXRVELSIRSQPV-NSHDSACASA-N	1	1	318.377	3.511	50	5		DHBAMO
O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCOc3ccccc32)c1	ZINC000237834984	563883942	/nfs/dbraw/zinc/88/39/42/563883942.db2.gz	QWZMFQLFQFYWML-HNNXBMFYSA-N	1	1	318.760	3.862	50	5		DHBAMO
O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2c2ccsc2)c1	ZINC000046088198	1023662813	/nfs/dbraw/zinc/66/28/13/1023662813.db2.gz	QLNGMVYNVINDCT-INIZCTEOSA-N	1	1	318.398	3.872	50	5		DHBAMO
Cc1c(C[N@H+](C)C[C@@H](C)c2nccs2)cccc1[N+](=O)[O-]	ZINC000183955406	563796624	/nfs/dbraw/zinc/79/66/24/563796624.db2.gz	ZYICEZBHNCGENM-LLVKDONJSA-N	1	1	305.403	3.595	50	5		DHBAMO
Cc1csc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1	ZINC000095403011	185354812	/nfs/dbraw/zinc/35/48/12/185354812.db2.gz	IUJZNGMGHSJOGG-CQSZACIVSA-N	1	1	303.387	3.601	50	5		DHBAMO
COc1ccc([N+](=O)[O-])c(C[C@H]2c3ccccc3C=C[N@H+]2C)c1	ZINC000071775033	563557951	/nfs/dbraw/zinc/55/79/51/563557951.db2.gz	PONWIMNTPYOGAF-SFHVURJKSA-N	1	1	310.353	3.803	50	5		DHBAMO
COc1ccc([N+](=O)[O-])c(C[C@H]2c3ccccc3C=C[N@@H+]2C)c1	ZINC000071775033	563557955	/nfs/dbraw/zinc/55/79/55/563557955.db2.gz	PONWIMNTPYOGAF-SFHVURJKSA-N	1	1	310.353	3.803	50	5		DHBAMO
COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000015300534	563803730	/nfs/dbraw/zinc/80/37/30/563803730.db2.gz	ZBCPJIQSBHEQAC-SFHVURJKSA-N	1	1	312.369	3.941	50	5		DHBAMO
O=[N+]([O-])c1ccc([C@H]2C[NH2+][C@H](c3ccccc3Cl)O2)cc1	ZINC000019805834	257268996	/nfs/dbraw/zinc/26/89/96/257268996.db2.gz	HDEINWKFOMDNAV-CABCVRRESA-N	1	1	304.733	3.608	50	5		DHBAMO
O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(OC2CCCC2)CC1	ZINC000071800057	563559132	/nfs/dbraw/zinc/55/91/32/563559132.db2.gz	KIZNQSANEPUURN-UHFFFAOYSA-N	1	1	322.380	3.658	50	5		DHBAMO
O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2c2ccsc2)c1	ZINC000046088196	1023663320	/nfs/dbraw/zinc/66/33/20/1023663320.db2.gz	QLNGMVYNVINDCT-MRXNPFEDSA-N	1	1	318.398	3.872	50	5		DHBAMO
CCCO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1	ZINC000253392840	186303799	/nfs/dbraw/zinc/30/37/99/186303799.db2.gz	XKLSIGMASSLLOM-AWEZNQCLSA-N	1	1	310.369	3.515	50	5		DHBAMO
COc1cccc(C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1	ZINC000016419828	182043957	/nfs/dbraw/zinc/04/39/57/182043957.db2.gz	OKSBJOKOCKEELE-ZDUSSCGKSA-N	1	1	300.358	3.796	50	5		DHBAMO
COc1ccccc1[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-]	ZINC000032825412	563399528	/nfs/dbraw/zinc/39/95/28/563399528.db2.gz	CPMJQNUUVIUNRJ-ZDUSSCGKSA-N	1	1	300.358	3.796	50	5		DHBAMO
COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-]	ZINC000032825412	563399529	/nfs/dbraw/zinc/39/95/29/563399529.db2.gz	CPMJQNUUVIUNRJ-ZDUSSCGKSA-N	1	1	300.358	3.796	50	5		DHBAMO
Cc1c([C@H](C)[NH2+]Cc2nccn2CC(C)C)cccc1[N+](=O)[O-]	ZINC000096478390	563484606	/nfs/dbraw/zinc/48/46/06/563484606.db2.gz	KQLDGHHKKPFQQL-AWEZNQCLSA-N	1	1	316.405	3.607	50	5		DHBAMO
CCCC[N@H+]1CCCn2cccc2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000037522412	563918324	/nfs/dbraw/zinc/91/83/24/563918324.db2.gz	BWEHRGOWDLRYBX-GOSISDBHSA-N	1	1	313.401	3.992	50	5		DHBAMO
CCCC[N@H+]1CCCn2cccc2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000037522411	563918381	/nfs/dbraw/zinc/91/83/81/563918381.db2.gz	BWEHRGOWDLRYBX-SFHVURJKSA-N	1	1	313.401	3.992	50	5		DHBAMO
CCCC[N@@H+](C)CC1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000059394355	563945557	/nfs/dbraw/zinc/94/55/57/563945557.db2.gz	IQISAWABUQSGQJ-UHFFFAOYSA-N	1	1	305.422	3.543	50	5		DHBAMO
COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000026334789	182437961	/nfs/dbraw/zinc/43/79/61/182437961.db2.gz	UALYBEVDJXKBEO-CYBMUJFWSA-N	1	1	300.358	3.796	50	5		DHBAMO
COc1ccccc1C(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC000096403976	563936676	/nfs/dbraw/zinc/93/66/76/563936676.db2.gz	IPUUJOUSGHKOHP-UHFFFAOYSA-N	1	1	306.387	3.690	50	5		DHBAMO
COc1cccc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000010225763	563958320	/nfs/dbraw/zinc/95/83/20/563958320.db2.gz	WCBVLVYYXVGDGR-GOSISDBHSA-N	1	1	312.369	3.941	50	5		DHBAMO
CCOc1ncccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000095420095	332169980	/nfs/dbraw/zinc/16/99/80/332169980.db2.gz	AABNISZRXXHHHM-CYBMUJFWSA-N	1	1	315.373	3.548	50	5		DHBAMO
Cc1ccc(OCCCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000002824007	563940930	/nfs/dbraw/zinc/94/09/30/563940930.db2.gz	NDESNAGGEMBXFS-HNNXBMFYSA-N	1	1	306.406	3.794	50	5		DHBAMO
C[C@@H]1c2ccsc2CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1	ZINC000058933167	184132492	/nfs/dbraw/zinc/13/24/92/184132492.db2.gz	YHJDKVLSQYANQD-GFCCVEGCSA-N	1	1	318.398	3.654	50	5		DHBAMO
CC(C)C[C@H](C)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1	ZINC000052558196	563788947	/nfs/dbraw/zinc/78/89/47/563788947.db2.gz	JEFQLQXNYZMTEV-LBPRGKRZSA-N	1	1	318.377	3.511	50	5		DHBAMO
O=[N+]([O-])c1cccc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)c1	ZINC000055211536	1019481348	/nfs/dbraw/zinc/48/13/48/1019481348.db2.gz	ROSHMIXVPMKGBW-SFHVURJKSA-N	1	1	305.337	3.578	50	5		DHBAMO
O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1	ZINC000048300593	563695762	/nfs/dbraw/zinc/69/57/62/563695762.db2.gz	KRELXNPMDNHUAV-BBRMVZONSA-N	1	1	314.389	3.557	50	5		DHBAMO
C[NH+](C)/C=C/c1c([N+](=O)[O-])c2ccc(O)cc2n1-c1ccccc1	ZINC000049580307	563701494	/nfs/dbraw/zinc/70/14/94/563701494.db2.gz	FHSALPVEMLZVON-ZHACJKMWSA-N	1	1	323.352	3.777	50	5		DHBAMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCOc2ccccc2[N+](=O)[O-])C1	ZINC000002825320	563940841	/nfs/dbraw/zinc/94/08/41/563940841.db2.gz	USZVBVQZZIMENQ-GASCZTMLSA-N	1	1	306.406	3.732	50	5		DHBAMO
COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1	ZINC000026334791	563863763	/nfs/dbraw/zinc/86/37/63/563863763.db2.gz	UALYBEVDJXKBEO-ZDUSSCGKSA-N	1	1	300.358	3.796	50	5		DHBAMO
Cc1ccc(OCCCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000002824005	563940916	/nfs/dbraw/zinc/94/09/16/563940916.db2.gz	NDESNAGGEMBXFS-OAHLLOKOSA-N	1	1	306.406	3.794	50	5		DHBAMO
NC(=O)[C@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1	ZINC000004987353	1024155060	/nfs/dbraw/zinc/15/50/60/1024155060.db2.gz	JQTOJLJEIRRHEG-KRWDZBQOSA-N	1	1	318.420	3.690	50	5		DHBAMO
C[C@@H]([N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)C	ZINC000052557462	563788782	/nfs/dbraw/zinc/78/87/82/563788782.db2.gz	LJXRVELSIRSQPV-LLVKDONJSA-N	1	1	318.377	3.511	50	5		DHBAMO
CC(C)C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1	ZINC000052558194	563789157	/nfs/dbraw/zinc/78/91/57/563789157.db2.gz	JEFQLQXNYZMTEV-GFCCVEGCSA-N	1	1	318.377	3.511	50	5		DHBAMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000002823168	563866183	/nfs/dbraw/zinc/86/61/83/563866183.db2.gz	NDJXZQIFAATGJR-GASCZTMLSA-N	1	1	306.406	3.732	50	5		DHBAMO
C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21	ZINC000065479432	184352423	/nfs/dbraw/zinc/35/24/23/184352423.db2.gz	SNQDOXFKLWQACZ-GOSISDBHSA-N	1	1	312.369	3.593	50	5		DHBAMO
CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	ZINC000252680258	563611317	/nfs/dbraw/zinc/61/13/17/563611317.db2.gz	YCAMYGWYWHIESJ-BRWVUGGUSA-N	1	1	318.417	3.620	50	5		DHBAMO
O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)c2c1	ZINC000048300572	563695573	/nfs/dbraw/zinc/69/55/73/563695573.db2.gz	NUECPAFTWQEIOL-BBRMVZONSA-N	1	1	314.389	3.557	50	5		DHBAMO
C[C@@H]1C[N@H+](Cc2nc3ccccc3c3ccccc32)C[C@H](C)O1	ZINC000012569647	563801879	/nfs/dbraw/zinc/80/18/79/563801879.db2.gz	NJQQNMMGSSCMOF-GASCZTMLSA-N	1	1	306.409	3.997	50	5		DHBAMO
COc1ccc(CCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000072014225	563417472	/nfs/dbraw/zinc/41/74/72/563417472.db2.gz	RUYZTKZVQIFKFP-UHFFFAOYSA-N	1	1	314.385	3.668	50	5		DHBAMO
O=[N+]([O-])c1cccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)c1	ZINC000055211535	1019481796	/nfs/dbraw/zinc/48/17/96/1019481796.db2.gz	ROSHMIXVPMKGBW-GOSISDBHSA-N	1	1	305.337	3.578	50	5		DHBAMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1	ZINC000004987357	1024154813	/nfs/dbraw/zinc/15/48/13/1024154813.db2.gz	JQTOJLJEIRRHEG-QGZVFWFLSA-N	1	1	318.420	3.690	50	5		DHBAMO
COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000192807776	563894572	/nfs/dbraw/zinc/89/45/72/563894572.db2.gz	VNDXWUIVLVSADR-LLVKDONJSA-N	1	1	304.321	3.593	50	5		DHBAMO
Cc1csc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1	ZINC000095403012	185354790	/nfs/dbraw/zinc/35/47/90/185354790.db2.gz	IUJZNGMGHSJOGG-AWEZNQCLSA-N	1	1	303.387	3.601	50	5		DHBAMO
C[NH+](C)/C=C\c1c([N+](=O)[O-])c2ccc(O)cc2n1-c1ccccc1	ZINC000033293340	563518363	/nfs/dbraw/zinc/51/83/63/563518363.db2.gz	FHSALPVEMLZVON-KHPPLWFESA-N	1	1	323.352	3.777	50	5		DHBAMO
O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)c2c1	ZINC000048300570	563695811	/nfs/dbraw/zinc/69/58/11/563695811.db2.gz	NUECPAFTWQEIOL-CJNGLKHVSA-N	1	1	314.389	3.557	50	5		DHBAMO
COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000192807764	563894862	/nfs/dbraw/zinc/89/48/62/563894862.db2.gz	VNDXWUIVLVSADR-NSHDSACASA-N	1	1	304.321	3.593	50	5		DHBAMO
CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000077321627	563960734	/nfs/dbraw/zinc/96/07/34/563960734.db2.gz	YCAMYGWYWHIESJ-BBWFWOEESA-N	1	1	318.417	3.620	50	5		DHBAMO
O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCOc3ccccc32)c1	ZINC000237833241	563883918	/nfs/dbraw/zinc/88/39/18/563883918.db2.gz	QWZMFQLFQFYWML-OAHLLOKOSA-N	1	1	318.760	3.862	50	5		DHBAMO
CC[NH+](CC)CCCNc1ccnc2cc3ccccc3cc21	ZINC000005781867	181283607	/nfs/dbraw/zinc/28/36/07/181283607.db2.gz	KTSYTPMUPYCPFS-UHFFFAOYSA-N	1	1	307.441	3.954	50	5		DHBAMO
C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc21	ZINC000058575619	184122456	/nfs/dbraw/zinc/12/24/56/184122456.db2.gz	SNQDOXFKLWQACZ-SFHVURJKSA-N	1	1	312.369	3.593	50	5		DHBAMO
CC(C)[N@@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])c(F)c1	ZINC000225771348	563938549	/nfs/dbraw/zinc/93/85/49/563938549.db2.gz	PERMTPRNRPYQDU-UHFFFAOYSA-N	1	1	323.393	3.644	50	5		DHBAMO
COc1ccc([N+](=O)[O-])c(C[C@@H]2c3ccccc3C=C[N@H+]2C)c1	ZINC000071775034	563557750	/nfs/dbraw/zinc/55/77/50/563557750.db2.gz	PONWIMNTPYOGAF-GOSISDBHSA-N	1	1	310.353	3.803	50	5		DHBAMO
COc1ccc([N+](=O)[O-])c(C[C@@H]2c3ccccc3C=C[N@@H+]2C)c1	ZINC000071775034	563557752	/nfs/dbraw/zinc/55/77/52/563557752.db2.gz	PONWIMNTPYOGAF-GOSISDBHSA-N	1	1	310.353	3.803	50	5		DHBAMO
CC[C@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc(C)cs1	ZINC000174502350	563957636	/nfs/dbraw/zinc/95/76/36/563957636.db2.gz	QIXDKOIXSQTRSD-HNNXBMFYSA-N	1	1	305.403	3.775	50	5		DHBAMO
O=[N+]([O-])c1ccc([C@@H]2C[NH2+][C@H](c3ccccc3Cl)O2)cc1	ZINC000019805830	257268862	/nfs/dbraw/zinc/26/88/62/257268862.db2.gz	HDEINWKFOMDNAV-GJZGRUSLSA-N	1	1	304.733	3.608	50	5		DHBAMO
CCOc1ncccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000095420094	332170082	/nfs/dbraw/zinc/17/00/82/332170082.db2.gz	AABNISZRXXHHHM-ZDUSSCGKSA-N	1	1	315.373	3.548	50	5		DHBAMO
O=C(c1ccccc1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1	ZINC000023040160	182345320	/nfs/dbraw/zinc/34/53/20/182345320.db2.gz	KWOUURXSZUNVTJ-UHFFFAOYSA-N	1	1	324.380	3.690	50	5		DHBAMO
O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1	ZINC000048300591	563695795	/nfs/dbraw/zinc/69/57/95/563695795.db2.gz	KRELXNPMDNHUAV-CJNGLKHVSA-N	1	1	314.389	3.557	50	5		DHBAMO
COc1ccc([C@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000015300535	563803666	/nfs/dbraw/zinc/80/36/66/563803666.db2.gz	ZBCPJIQSBHEQAC-GOSISDBHSA-N	1	1	312.369	3.941	50	5		DHBAMO
O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1	ZINC000058594977	563944575	/nfs/dbraw/zinc/94/45/75/563944575.db2.gz	KRELXNPMDNHUAV-XJKSGUPXSA-N	1	1	314.389	3.557	50	5		DHBAMO
O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1c1ccsc1	ZINC000048253153	563695017	/nfs/dbraw/zinc/69/50/17/563695017.db2.gz	CZHCMWAGRMTXJN-CQSZACIVSA-N	1	1	318.398	3.872	50	5		DHBAMO
Cc1ccc(OCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000002822992	563940901	/nfs/dbraw/zinc/94/09/01/563940901.db2.gz	XPZZFZKVWWOQPU-GASCZTMLSA-N	1	1	306.406	3.650	50	5		DHBAMO
CCCO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1	ZINC000253392844	186303853	/nfs/dbraw/zinc/30/38/53/186303853.db2.gz	XKLSIGMASSLLOM-CQSZACIVSA-N	1	1	310.369	3.515	50	5		DHBAMO
COc1cccc(C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1	ZINC000016419829	182043815	/nfs/dbraw/zinc/04/38/15/182043815.db2.gz	OKSBJOKOCKEELE-CYBMUJFWSA-N	1	1	300.358	3.796	50	5		DHBAMO
O=[N+]([O-])c1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)o1	ZINC000023280729	182355997	/nfs/dbraw/zinc/35/59/97/182355997.db2.gz	ASINYSZNXDAHAF-UHFFFAOYSA-N	1	1	302.305	3.616	50	5		DHBAMO
O=[N+]([O-])c1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)o1	ZINC000023280729	182356000	/nfs/dbraw/zinc/35/60/00/182356000.db2.gz	ASINYSZNXDAHAF-UHFFFAOYSA-N	1	1	302.305	3.616	50	5		DHBAMO
CCc1nc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1	ZINC000192845325	341892293	/nfs/dbraw/zinc/89/22/93/341892293.db2.gz	HSFNWNRUWFHJOM-OAHLLOKOSA-N	1	1	317.414	3.781	50	5		DHBAMO
CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC000252680260	563611463	/nfs/dbraw/zinc/61/14/63/563611463.db2.gz	YCAMYGWYWHIESJ-ZACQAIPSSA-N	1	1	318.417	3.620	50	5		DHBAMO
COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000010225762	181661707	/nfs/dbraw/zinc/66/17/07/181661707.db2.gz	WCBVLVYYXVGDGR-SFHVURJKSA-N	1	1	312.369	3.941	50	5		DHBAMO
CC(C)[N@H+](Cc1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21	ZINC000057999675	184066277	/nfs/dbraw/zinc/06/62/77/184066277.db2.gz	KLWFUBSDAPMAEG-UHFFFAOYSA-N	1	1	324.384	3.813	50	5		DHBAMO
Cc1c([C@@H](C)[NH2+]Cc2nccn2CC(C)C)cccc1[N+](=O)[O-]	ZINC000096478388	563484226	/nfs/dbraw/zinc/48/42/26/563484226.db2.gz	KQLDGHHKKPFQQL-CQSZACIVSA-N	1	1	316.405	3.607	50	5		DHBAMO
O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1c1ccsc1	ZINC000048253155	563694969	/nfs/dbraw/zinc/69/49/69/563694969.db2.gz	CZHCMWAGRMTXJN-AWEZNQCLSA-N	1	1	318.398	3.872	50	5		DHBAMO
C[C@H]1c2ccsc2CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1	ZINC000058933173	184132620	/nfs/dbraw/zinc/13/26/20/184132620.db2.gz	YHJDKVLSQYANQD-LBPRGKRZSA-N	1	1	318.398	3.654	50	5		DHBAMO
CC[NH+](CC)c1ccc(-n2cnc3cc([N+](=O)[O-])ccc32)cc1	ZINC000005947616	181299924	/nfs/dbraw/zinc/29/99/24/181299924.db2.gz	WDAPLQGIFHIDBF-UHFFFAOYSA-N	1	1	310.357	3.780	50	5		DHBAMO
CC[C@@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc(C)cs1	ZINC000174502363	563957562	/nfs/dbraw/zinc/95/75/62/563957562.db2.gz	QIXDKOIXSQTRSD-OAHLLOKOSA-N	1	1	305.403	3.775	50	5		DHBAMO
Cc1[nH+]ccn1CCCn1c2ccccc2c2ccccc2c1=O	ZINC000095355257	563529036	/nfs/dbraw/zinc/52/90/36/563529036.db2.gz	WRXOKFATCOZEEJ-UHFFFAOYSA-N	1	1	317.392	3.750	50	5		DHBAMO
Cc1c(C[N@H+](C)C[C@H](C)c2nccs2)cccc1[N+](=O)[O-]	ZINC000183955429	563797050	/nfs/dbraw/zinc/79/70/50/563797050.db2.gz	ZYICEZBHNCGENM-NSHDSACASA-N	1	1	305.403	3.595	50	5		DHBAMO
CCCc1[nH+]ccn1Cc1cc([N+](=O)[O-])ccc1OC(C)C	ZINC000084759073	563830718	/nfs/dbraw/zinc/83/07/18/563830718.db2.gz	KRKMQEQDLJSRTI-UHFFFAOYSA-N	1	1	303.362	3.579	50	5		DHBAMO
CCc1nc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1	ZINC000192845345	563897609	/nfs/dbraw/zinc/89/76/09/563897609.db2.gz	HSFNWNRUWFHJOM-HNNXBMFYSA-N	1	1	317.414	3.781	50	5		DHBAMO
Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(c2[nH]cc[nH+]2)CC1	ZINC000170606587	563907650	/nfs/dbraw/zinc/90/76/50/563907650.db2.gz	YIIVNEXNQLBUJT-UHFFFAOYSA-N	1	1	320.780	3.664	50	5		DHBAMO
O=[N+]([O-])c1ccc([C@@H]2C[NH2+][C@@H](c3ccccc3Cl)O2)cc1	ZINC000019805829	257269015	/nfs/dbraw/zinc/26/90/15/257269015.db2.gz	HDEINWKFOMDNAV-LSDHHAIUSA-N	1	1	304.733	3.608	50	5		DHBAMO
CCCCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C	ZINC000032810005	563398953	/nfs/dbraw/zinc/39/89/53/563398953.db2.gz	ADJAGKJXYCYZRY-UHFFFAOYSA-N	1	1	321.421	3.742	50	5		DHBAMO
COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-]	ZINC000032825410	563399887	/nfs/dbraw/zinc/39/98/87/563399887.db2.gz	CPMJQNUUVIUNRJ-CYBMUJFWSA-N	1	1	300.358	3.796	50	5		DHBAMO
COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-]	ZINC000032825410	563399889	/nfs/dbraw/zinc/39/98/89/563399889.db2.gz	CPMJQNUUVIUNRJ-CYBMUJFWSA-N	1	1	300.358	3.796	50	5		DHBAMO