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([O-])c1ccccc1Sc1ccc(F)cc1[N+](=O)[O-]	ZINC000019868745	170900134	/nfs/dbraw/zinc/90/01/34/170900134.db2.gz	HCPASRYTNFJEKS-UHFFFAOYSA-N	-1	0	293.275	3.583	10	5		CHBERM
CCC[C@@](C)(Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000054632922	520915956	/nfs/dbraw/zinc/91/59/56/520915956.db2.gz	PQQTUOQOZOETBY-ZDUSSCGKSA-N	-1	0	285.727	3.682	10	5		CHBERM
C[C@@H]1CCC[C@H](Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])[C@@H]1C	ZINC000021026922	171291127	/nfs/dbraw/zinc/29/11/27/171291127.db2.gz	HVRMTPZXHPGSCM-FOGDFJRCSA-N	-1	0	292.335	3.530	10	5		CHBERM
O=C([O-])c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])s1	ZINC000035408406	172178608	/nfs/dbraw/zinc/17/86/08/172178608.db2.gz	NSRQQRRDFVXNTF-UHFFFAOYSA-N	-1	0	283.692	3.675	10	5		CHBERM
Cc1cc(C)cc(Oc2ccc([N+](=O)[O-])cc2C(=O)[O-])c1	ZINC000013179629	170539150	/nfs/dbraw/zinc/53/91/50/170539150.db2.gz	ZRGDKGPBEGRABL-UHFFFAOYSA-N	-1	0	287.271	3.702	10	5		CHBERM
O=C([O-])c1ccc(Sc2cccs2)c([N+](=O)[O-])c1	ZINC000020078022	170985010	/nfs/dbraw/zinc/98/50/10/170985010.db2.gz	QSESNPYXOPVTRT-UHFFFAOYSA-N	-1	0	281.314	3.506	10	5		CHBERM
Cc1cccc(C)c1Nc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000021017016	171289930	/nfs/dbraw/zinc/28/99/30/171289930.db2.gz	WOJXXXCLCIRBOE-UHFFFAOYSA-N	-1	0	286.287	3.653	10	5		CHBERM
Cc1cc(=O)oc2cc([O-])c3c4ccccc4oc3c12	ZINC000040567149	174338092	/nfs/dbraw/zinc/33/80/92/174338092.db2.gz	JSYOHFFQONDFEO-UHFFFAOYSA-N	-1	0	266.252	3.706	10	5		CHBERM
Cc1cc(Sc2cccs2)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000721042572	978093087	/nfs/dbraw/zinc/09/30/87/978093087.db2.gz	OYVLHJGUHQWKKM-UHFFFAOYSA-N	-1	0	295.341	3.814	10	5		CHBERM
C[C@@H]1CCC[C@@H](Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])[C@@H]1C	ZINC000021026907	171291353	/nfs/dbraw/zinc/29/13/53/171291353.db2.gz	HVRMTPZXHPGSCM-CKYFFXLPSA-N	-1	0	292.335	3.530	10	5		CHBERM
Cc1cc(S[C@H](C)C(C)C)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000721089317	978094079	/nfs/dbraw/zinc/09/40/79/978094079.db2.gz	GHSOYJCCNIEJDD-SECBINFHSA-N	-1	0	283.349	3.738	10	5		CHBERM
O=[N+]([O-])c1ccc(Cl)nc1[N-]c1c(F)cccc1F	ZINC000037331609	173132705	/nfs/dbraw/zinc/13/27/05/173132705.db2.gz	ZAEXILDHLOKPPP-UHFFFAOYSA-N	-1	0	285.637	3.665	10	5		CHBERM
CCC(C)(C)CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000686199820	976103101	/nfs/dbraw/zinc/10/31/01/976103101.db2.gz	XVWYBQKCAINICJ-UHFFFAOYSA-N	-1	0	280.324	3.531	10	5		CHBERM
Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[O-])c(C)c1	ZINC000013180555	170538925	/nfs/dbraw/zinc/53/89/25/170538925.db2.gz	XIKKPXDNLFHZLL-UHFFFAOYSA-N	-1	0	287.271	3.702	10	5		CHBERM
C[C@H]1[C@H](Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCC[C@@H]1C	ZINC000021026915	171291087	/nfs/dbraw/zinc/29/10/87/171291087.db2.gz	HVRMTPZXHPGSCM-HOSYDEDBSA-N	-1	0	292.335	3.530	10	5		CHBERM
O=C([O-])c1ccc(Cl)cc1Nc1cccc([N+](=O)[O-])c1	ZINC000004838136	170026802	/nfs/dbraw/zinc/02/68/02/170026802.db2.gz	WREDPCUQWQENRT-UHFFFAOYSA-N	-1	0	292.678	3.690	10	5		CHBERM
CCc1ccccc1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000019845161	170893330	/nfs/dbraw/zinc/89/33/30/170893330.db2.gz	SNGSADHUCLEVCI-UHFFFAOYSA-N	-1	0	286.287	3.599	10	5		CHBERM
CCc1ccc(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000019845155	170893552	/nfs/dbraw/zinc/89/35/52/170893552.db2.gz	RVRZHOYTLBCZFP-UHFFFAOYSA-N	-1	0	286.287	3.599	10	5		CHBERM
Cc1cccc(C)c1Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000020561901	171252512	/nfs/dbraw/zinc/25/25/12/171252512.db2.gz	ZFNZOWZOEMPAEC-UHFFFAOYSA-N	-1	0	286.287	3.653	10	5		CHBERM
CCC[C@](C)(Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000054632924	521272457	/nfs/dbraw/zinc/27/24/57/521272457.db2.gz	PQQTUOQOZOETBY-CYBMUJFWSA-N	-1	0	285.727	3.682	10	5		CHBERM
Cc1cc(Cl)ccc1-c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000095495216	184998800	/nfs/dbraw/zinc/99/88/00/184998800.db2.gz	SLJPZCDVJKIWJP-UHFFFAOYSA-N	-1	0	291.690	3.922	10	5		CHBERM
O=C([O-])c1ccc2ccc3ccc(Cl)cc3c(=O)c2c1	ZINC000169336747	188659565	/nfs/dbraw/zinc/65/95/65/188659565.db2.gz	WRGFEGDRHUWPGW-UHFFFAOYSA-N	-1	0	284.698	3.705	10	5		CHBERM
CC[C@H]1CCCC[C@@H]1Oc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000021061780	171297333	/nfs/dbraw/zinc/29/73/33/171297333.db2.gz	IXJWUZABGOZDKF-GWCFXTLKSA-N	-1	0	293.319	3.641	10	5		CHBERM
C[C@H](Nc1ccc([N+](=O)[O-])cc1C(=O)[O-])c1cccs1	ZINC000035134969	172001531	/nfs/dbraw/zinc/00/15/31/172001531.db2.gz	KQFQFVWTSNFUPC-QMMMGPOBSA-N	-1	0	292.316	3.528	10	5		CHBERM
Cc1cc(Cl)cc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000095495213	184998784	/nfs/dbraw/zinc/99/87/84/184998784.db2.gz	TZAWTLNKDFUFFO-UHFFFAOYSA-N	-1	0	291.690	3.922	10	5		CHBERM
Cc1cc(Sc2ccccc2)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000721042110	978092839	/nfs/dbraw/zinc/09/28/39/978092839.db2.gz	JGYBZTFANDBIPH-UHFFFAOYSA-N	-1	0	289.312	3.753	10	5		CHBERM
Cc1ccc(Oc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1C	ZINC000021515673	171312379	/nfs/dbraw/zinc/31/23/79/171312379.db2.gz	FHJMBPIUDZUGGE-UHFFFAOYSA-N	-1	0	287.271	3.702	10	5		CHBERM
Cc1ccc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c1	ZINC000095495060	184997736	/nfs/dbraw/zinc/99/77/36/184997736.db2.gz	QLMDIBVNVWHGAF-UHFFFAOYSA-N	-1	0	271.272	3.577	10	5		CHBERM
O=C([O-])c1ccc([N+](=O)[O-])cc1-c1ccc(Cl)cc1	ZINC000095495125	184997752	/nfs/dbraw/zinc/99/77/52/184997752.db2.gz	OJFJYEAERLNKJF-UHFFFAOYSA-N	-1	0	277.663	3.613	10	5		CHBERM
CCc1ccc(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000020081409	170986417	/nfs/dbraw/zinc/98/64/17/170986417.db2.gz	IWFLQZYEUIPTLA-UHFFFAOYSA-N	-1	0	287.271	3.648	10	5		CHBERM
CC[C@H]1CCCC[C@H]1Oc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000021061789	171297391	/nfs/dbraw/zinc/29/73/91/171297391.db2.gz	IXJWUZABGOZDKF-GXFFZTMASA-N	-1	0	293.319	3.641	10	5		CHBERM
C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1cccs1	ZINC000035134972	172001392	/nfs/dbraw/zinc/00/13/92/172001392.db2.gz	FFLFHLPZOWENAO-MRVPVSSYSA-N	-1	0	292.316	3.528	10	5		CHBERM
O=C([O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000035656149	172332221	/nfs/dbraw/zinc/33/22/21/172332221.db2.gz	NKVZGQPHNSDGGA-UHFFFAOYSA-N	-1	0	292.678	3.690	10	5		CHBERM
O=C([O-])c1cc(Nc2ccc([N+](=O)[O-])cc2)ccc1Cl	ZINC000035656145	172332666	/nfs/dbraw/zinc/33/26/66/172332666.db2.gz	ISTCERAJMISJPP-UHFFFAOYSA-N	-1	0	292.678	3.690	10	5		CHBERM
CC[C@H](C(=O)[O-])c1ccc2c(c1)ccc1ccccc1c2=O	ZINC000039220561	174166073	/nfs/dbraw/zinc/16/60/73/174166073.db2.gz	AWEQLPUHWLIXIH-HNNXBMFYSA-N	-1	0	292.334	3.931	10	5		CHBERM
O=C([O-])c1cc(-c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000048772752	260201914	/nfs/dbraw/zinc/20/19/14/260201914.db2.gz	FJRKYFUFRWQVBB-UHFFFAOYSA-N	-1	0	277.663	3.613	10	5		CHBERM
CCc1ccc(-c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1	ZINC000095495058	184998387	/nfs/dbraw/zinc/99/83/87/184998387.db2.gz	IYGVAIRAVKIFAN-UHFFFAOYSA-N	-1	0	271.272	3.522	10	5		CHBERM
O=C([O-])c1ccccc1SCc1cccc([N+](=O)[O-])c1	ZINC000006884504	170252836	/nfs/dbraw/zinc/25/28/36/170252836.db2.gz	PWSREIQHFYRVCQ-UHFFFAOYSA-N	-1	0	289.312	3.585	10	5		CHBERM
O=C([O-])c1cc(CSc2cccc([N+](=O)[O-])c2)cs1	ZINC000689080500	976206971	/nfs/dbraw/zinc/20/69/71/976206971.db2.gz	FMQHFVLICDQLHD-UHFFFAOYSA-N	-1	0	295.341	3.647	10	5		CHBERM
Cc1ccc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl	ZINC000095495210	184998865	/nfs/dbraw/zinc/99/88/65/184998865.db2.gz	UPYWMJLMORCHAU-UHFFFAOYSA-N	-1	0	291.690	3.922	10	5		CHBERM
CCc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000013179856	170539017	/nfs/dbraw/zinc/53/90/17/170539017.db2.gz	DCYOYTLQYXWTKX-UHFFFAOYSA-N	-1	0	287.271	3.648	10	5		CHBERM
C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000020559933	171251662	/nfs/dbraw/zinc/25/16/62/171251662.db2.gz	QCMYLHOIIKAQJG-CWSCBRNRSA-N	-1	0	292.335	3.530	10	5		CHBERM
C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1cccs1	ZINC000035134971	172001786	/nfs/dbraw/zinc/00/17/86/172001786.db2.gz	FFLFHLPZOWENAO-QMMMGPOBSA-N	-1	0	292.316	3.528	10	5		CHBERM
C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000021026928	171291131	/nfs/dbraw/zinc/29/11/31/171291131.db2.gz	HVRMTPZXHPGSCM-UMNHJUIQSA-N	-1	0	292.335	3.530	10	5		CHBERM
Cc1cccc(Sc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1	ZINC000040695736	174378170	/nfs/dbraw/zinc/37/81/70/174378170.db2.gz	LEHZKWWOKAFHMI-UHFFFAOYSA-N	-1	0	289.312	3.753	10	5		CHBERM
O=[N+]([O-])c1cc(-c2cccc(C(F)(F)F)c2)ccc1[O-]	ZINC000095494962	184998234	/nfs/dbraw/zinc/99/82/34/184998234.db2.gz	OOJFBHBZPAEWET-UHFFFAOYSA-N	-1	0	283.205	3.986	10	5		CHBERM
CSc1ccccc1-c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000095495180	184998300	/nfs/dbraw/zinc/99/83/00/184998300.db2.gz	NLYPGRZEPNYNCJ-UHFFFAOYSA-N	-1	0	289.312	3.682	10	5		CHBERM
C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])CCC[C@@H]1C	ZINC000020559929	171251510	/nfs/dbraw/zinc/25/15/10/171251510.db2.gz	QCMYLHOIIKAQJG-OPQQBVKSSA-N	-1	0	292.335	3.530	10	5		CHBERM
CCc1ccc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000095495057	184998424	/nfs/dbraw/zinc/99/84/24/184998424.db2.gz	SDMLHOIBAVTZJO-UHFFFAOYSA-N	-1	0	271.272	3.522	10	5		CHBERM
Cc1ccc(Oc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(C)c1	ZINC000021502501	171306518	/nfs/dbraw/zinc/30/65/18/171306518.db2.gz	PDKMAMCISJONRU-UHFFFAOYSA-N	-1	0	287.271	3.702	10	5		CHBERM
Cc1ccc(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)c1	ZINC000019845006	184534962	/nfs/dbraw/zinc/53/49/62/184534962.db2.gz	QNZZUQFVFJGXAV-UHFFFAOYSA-N	-1	0	286.287	3.653	10	5		CHBERM
C[C@H](C(=O)[O-])c1ccc2c(c1)ccc1ccccc1c2=O	ZINC000006030354	170169808	/nfs/dbraw/zinc/16/98/08/170169808.db2.gz	CYCCNOGIPSEDOQ-NSHDSACASA-N	-1	0	278.307	3.541	10	5		CHBERM
C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(=O)[O-])c1cccs1	ZINC000035134970	172001405	/nfs/dbraw/zinc/00/14/05/172001405.db2.gz	KQFQFVWTSNFUPC-MRVPVSSYSA-N	-1	0	292.316	3.528	10	5		CHBERM
Cc1ccc(-c2cc([N+](=O)[O-])ccc2C(=O)[O-])c(Cl)c1	ZINC000095495205	184997946	/nfs/dbraw/zinc/99/79/46/184997946.db2.gz	BSSNZESNSFNPDM-UHFFFAOYSA-N	-1	0	291.690	3.922	10	5		CHBERM
O=C([O-])c1cc(-c2cccc(Cl)c2)cc([N+](=O)[O-])c1	ZINC000095495121	184998407	/nfs/dbraw/zinc/99/84/07/184998407.db2.gz	GQDDCRKHCSJXNK-UHFFFAOYSA-N	-1	0	277.663	3.613	10	5		CHBERM
Cc1ccc(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)c1	ZINC000020081387	170985968	/nfs/dbraw/zinc/98/59/68/170985968.db2.gz	DAUYMJYCGLGOKY-UHFFFAOYSA-N	-1	0	287.271	3.702	10	5		CHBERM
C[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@@H]1C	ZINC000020559931	171251422	/nfs/dbraw/zinc/25/14/22/171251422.db2.gz	QCMYLHOIIKAQJG-BREBYQMCSA-N	-1	0	292.335	3.530	10	5		CHBERM
CC[C@@H]1CCCC[C@H]1Oc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000021061785	171297074	/nfs/dbraw/zinc/29/70/74/171297074.db2.gz	IXJWUZABGOZDKF-ZWNOBZJWSA-N	-1	0	293.319	3.641	10	5		CHBERM
O=C([O-])c1cc([N+](=O)[O-])ccc1NC1CCCCCCC1	ZINC000021811730	171329468	/nfs/dbraw/zinc/32/94/68/171329468.db2.gz	ROWWFZIQERYIQD-UHFFFAOYSA-N	-1	0	292.335	3.818	10	5		CHBERM
Cc1ccc(C)c(-c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1	ZINC000095495055	184997957	/nfs/dbraw/zinc/99/79/57/184997957.db2.gz	BSTVTRSWMRHHNT-UHFFFAOYSA-N	-1	0	271.272	3.577	10	5		CHBERM
O=C([O-])c1cc(-c2ccc(Cl)cc2)cc([N+](=O)[O-])c1	ZINC000095495124	184998567	/nfs/dbraw/zinc/99/85/67/184998567.db2.gz	RWYHCTAXMCKDCS-UHFFFAOYSA-N	-1	0	277.663	3.613	10	5		CHBERM
Cc1cc(SCC2CCCC2)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000721041940	978092360	/nfs/dbraw/zinc/09/23/60/978092360.db2.gz	FNMOQPVLVZQAES-UHFFFAOYSA-N	-1	0	295.360	3.884	10	5		CHBERM
O=[N+]([O-])c1cc(Cl)c([O-])c(NCc2ccccc2)c1	ZINC000020522763	171235661	/nfs/dbraw/zinc/23/56/61/171235661.db2.gz	SXZLIRKSNYTEPT-UHFFFAOYSA-N	-1	0	278.695	3.566	10	5		CHBERM
CCCCCCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-]	ZINC000721042842	978092795	/nfs/dbraw/zinc/09/27/95/978092795.db2.gz	UQZCLMKCSQFHGF-UHFFFAOYSA-N	-1	0	280.324	3.594	10	5		CHBERM
C[C@@H](C(=O)[O-])c1ccc2c(c1)ccc1ccccc1c2=O	ZINC000006037127	170170089	/nfs/dbraw/zinc/17/00/89/170170089.db2.gz	CYCCNOGIPSEDOQ-LLVKDONJSA-N	-1	0	278.307	3.541	10	5		CHBERM
Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1C	ZINC000020081423	170986052	/nfs/dbraw/zinc/98/60/52/170986052.db2.gz	KUVGTDBHHNKGDP-UHFFFAOYSA-N	-1	0	287.271	3.702	10	5		CHBERM
CSc1ccccc1-c1ccc([O-])c([N+](=O)[O-])c1	ZINC000095494918	184998009	/nfs/dbraw/zinc/99/80/09/184998009.db2.gz	SEFAUORYQJKNIX-UHFFFAOYSA-N	-1	0	261.302	3.689	10	5		CHBERM
CCc1cccc(Oc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1	ZINC000021049473	171294873	/nfs/dbraw/zinc/29/48/73/171294873.db2.gz	QXXBXAHJVRPMNM-UHFFFAOYSA-N	-1	0	287.271	3.648	10	5		CHBERM
CCc1ccc(Oc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000022150988	171358559	/nfs/dbraw/zinc/35/85/59/171358559.db2.gz	MHMNSMKPYWKJCE-UHFFFAOYSA-N	-1	0	287.271	3.648	10	5		CHBERM
Cc1cc(SCCC(C)C)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000721090794	978094013	/nfs/dbraw/zinc/09/40/13/978094013.db2.gz	PNUOKRXYMQKVMO-UHFFFAOYSA-N	-1	0	283.349	3.740	10	5		CHBERM
CSc1ccc(-c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000095494920	184998072	/nfs/dbraw/zinc/99/80/72/184998072.db2.gz	QPDAGSAUCVWYAG-UHFFFAOYSA-N	-1	0	261.302	3.689	10	5		CHBERM
CC[C@H]1CCCC[C@H]1Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000019803301	170872671	/nfs/dbraw/zinc/87/26/71/170872671.db2.gz	NZPKTPSSMXWQDL-IINYFYTJSA-N	-1	0	293.319	3.641	10	5		CHBERM
Cc1ccc(Sc2ccccc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000035565003	172264285	/nfs/dbraw/zinc/26/42/85/172264285.db2.gz	AONXLRMVJCBOLL-UHFFFAOYSA-N	-1	0	289.312	3.753	10	5		CHBERM
CC[C@@H](C(=O)[O-])c1ccc2c(c1)ccc1ccccc1c2=O	ZINC000039220562	174166370	/nfs/dbraw/zinc/16/63/70/174166370.db2.gz	AWEQLPUHWLIXIH-OAHLLOKOSA-N	-1	0	292.334	3.931	10	5		CHBERM
Cc1cc(S[C@@H](C)C(C)C)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000721089320	978094097	/nfs/dbraw/zinc/09/40/97/978094097.db2.gz	GHSOYJCCNIEJDD-VIFPVBQESA-N	-1	0	283.349	3.738	10	5		CHBERM
C[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@@H]1C	ZINC000020559927	171251505	/nfs/dbraw/zinc/25/15/05/171251505.db2.gz	QCMYLHOIIKAQJG-GIPNMCIBSA-N	-1	0	292.335	3.530	10	5		CHBERM
CC(C)=CCc1cccc2nc3cccc(C(=O)[O-])c3nc12	ZINC000014590784	560222761	/nfs/dbraw/zinc/22/27/61/560222761.db2.gz	WLQXISHGKXGNFV-UHFFFAOYSA-N	-1	0	292.338	3.990	10	5	in-vitro	CHBERM
Cc1cc(Cl)ccc1-c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000095495217	184998864	/nfs/dbraw/zinc/99/88/64/184998864.db2.gz	YYCHZGPAXICDMS-UHFFFAOYSA-N	-1	0	291.690	3.922	10	5		CHBERM
CC[C@H]1CCCC[C@@H]1Oc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000019995486	170963841	/nfs/dbraw/zinc/96/38/41/170963841.db2.gz	YLUNENWOXKSCRB-GWCFXTLKSA-N	-1	0	293.319	3.641	10	5		CHBERM
CC[C@@H]1CCCC[C@@H]1Oc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000021061777	171297228	/nfs/dbraw/zinc/29/72/28/171297228.db2.gz	IXJWUZABGOZDKF-MFKMUULPSA-N	-1	0	293.319	3.641	10	5		CHBERM
CCC(CC)(Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000054633290	521460153	/nfs/dbraw/zinc/46/01/53/521460153.db2.gz	AVKLHUYDIPLZGA-UHFFFAOYSA-N	-1	0	285.727	3.682	10	5		CHBERM