smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Nc2ccc(S(N)(=O)=O)cc2)c1[N+](=O)[O-]	ZINC000100569068	205609411	/nfs/dbraw/zinc/60/94/11/205609411.db2.gz	KYHCBYPKTSEDTM-UHFFFAOYSA-N	0	1	398.313	1.384	50	5		GDBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCc3cccnc3)[C@@H]2C1	ZINC000104914938	570908056	/nfs/dbraw/zinc/90/80/56/570908056.db2.gz	DUAIGFHZVAEYON-MJGOQNOKSA-N	0	1	381.436	1.599	50	5		GDBAMN
CN(c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)S(C)(=O)=O	ZINC000001116400	530531271	/nfs/dbraw/zinc/53/12/71/530531271.db2.gz	HGDPQIROVLYHCN-UHFFFAOYSA-N	0	1	385.423	1.791	50	5		GDBAMN
CS(=O)(=O)c1ccc([S@@](=O)CC(=O)Oc2ccccc2)c([N+](=O)[O-])c1	ZINC000006145977	530540646	/nfs/dbraw/zinc/54/06/46/530540646.db2.gz	HPTPNDZUQKXJFF-XMMPIXPASA-N	0	1	383.403	1.712	50	5		GDBAMN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](CN[C@@]23C(=O)Nc2ccccc23)C1=O	ZINC000018203358	570809941	/nfs/dbraw/zinc/80/99/41/570809941.db2.gz	WHNKKZPZINDTMQ-ADYAMRHXSA-N	0	1	392.371	1.460	50	5		GDBAMN
CC(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cc1	ZINC000022990057	570744210	/nfs/dbraw/zinc/74/42/10/570744210.db2.gz	WGVDISWVAZBWCS-UHFFFAOYSA-N	0	1	394.409	1.758	50	5		GDBAMN
CCOC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C1=O	ZINC000016156238	570318139	/nfs/dbraw/zinc/31/81/39/570318139.db2.gz	LMTDHXOGPOMDKG-VZUCSPMQSA-N	0	1	382.350	1.908	50	5		GDBAMN
CCOC(CN(Cc1ccccc1)c1nc(N)[nH]c(=O)c1[N+](=O)[O-])OCC	ZINC000004114217	204027869	/nfs/dbraw/zinc/02/78/69/204027869.db2.gz	WFXZEUIXRHNISL-UHFFFAOYSA-N	0	1	377.401	1.666	50	5		GDBAMN
CS(=O)(=O)c1ccc(NC[C@H]([C@H]2CCOC2)N2CCCC2)c([N+](=O)[O-])c1	ZINC000040153818	205059249	/nfs/dbraw/zinc/05/92/49/205059249.db2.gz	MJEGPQXBHAUHQF-SUMWQHHRSA-N	0	1	383.470	1.911	50	5		GDBAMN
O=C(NCCNc1nc2ccccn2c(=O)c1[N+](=O)[O-])c1n[nH]c2ccccc21	ZINC000058218931	205170995	/nfs/dbraw/zinc/17/09/95/205170995.db2.gz	PKQIMFHFGHBYGY-UHFFFAOYSA-N	0	1	393.363	1.321	50	5		GDBAMN
CCOc1cc([C@H]2C(C(=O)OC)C(C)=Nc3ncnn32)cc([N+](=O)[O-])c1O	ZINC000015016772	570792941	/nfs/dbraw/zinc/79/29/41/570792941.db2.gz	ATDDEYHHVLYQDE-ZDUSSCGKSA-N	0	1	375.341	1.753	50	5		GDBAMN
CCOc1cc([C@@H]2C(C(=O)OC)C(C)=Nc3ncnn32)cc([N+](=O)[O-])c1O	ZINC000015016771	570805978	/nfs/dbraw/zinc/80/59/78/570805978.db2.gz	ATDDEYHHVLYQDE-CYBMUJFWSA-N	0	1	375.341	1.753	50	5		GDBAMN
CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000034924586	570810097	/nfs/dbraw/zinc/81/00/97/570810097.db2.gz	UYRCRPXKGACVJM-ZDUSSCGKSA-N	0	1	375.341	1.753	50	5		GDBAMN
COc1ccc(-n2ccc3nc4ccn(-c5nnc[nH]5)c(=O)c4cc3c2=O)cc1	ZINC000036354159	205012046	/nfs/dbraw/zinc/01/20/46/205012046.db2.gz	DRJOASJQXIYTEP-UHFFFAOYSA-N	0	1	386.371	1.817	50	5		GDBAMN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](CN[C@]23C(=O)Nc2ccccc23)C1=O	ZINC000026817824	206005739	/nfs/dbraw/zinc/00/57/39/206005739.db2.gz	WHNKKZPZINDTMQ-QROBEVECSA-N	0	1	392.371	1.460	50	5		GDBAMN
CCN1CCN([C@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)CC1	ZINC000089977304	570922813	/nfs/dbraw/zinc/92/28/13/570922813.db2.gz	PAVTXAZYQXOSTB-HNNXBMFYSA-N	0	1	377.445	1.847	50	5		GDBAMN
COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc([N+](=O)[O-])cc(OC)c2O)C1=O	ZINC000009720796	204321784	/nfs/dbraw/zinc/32/17/84/204321784.db2.gz	CYAHVFSEMMNTQR-VWJVTLSUSA-N	0	1	382.350	1.907	50	5		GDBAMN
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000057431958	205956234	/nfs/dbraw/zinc/95/62/34/205956234.db2.gz	ZLEQMOFEEFUWDM-UHFFFAOYSA-N	0	1	375.359	1.182	50	5		GDBAMN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2CN[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248128570	570442414	/nfs/dbraw/zinc/44/24/14/570442414.db2.gz	WHNKKZPZINDTMQ-CBLJQSSYSA-N	0	1	392.371	1.460	50	5		GDBAMN
COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCSC)cc([N+](=O)[O-])c1O	ZINC000035961625	570488480	/nfs/dbraw/zinc/48/84/80/570488480.db2.gz	UVGACNYOLGHBLQ-ZDUSSCGKSA-N	0	1	397.409	1.843	50	5		GDBAMN
COc1ccc(Nc2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])cn1	ZINC000033014433	570629682	/nfs/dbraw/zinc/62/96/82/570629682.db2.gz	SXNIFRPUWMUBKY-UHFFFAOYSA-N	0	1	395.441	1.582	50	5		GDBAMN
CCOC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])cc(OC)c2O)C1=O	ZINC000013897590	570738739	/nfs/dbraw/zinc/73/87/39/570738739.db2.gz	LMTDHXOGPOMDKG-WZUFQYTHSA-N	0	1	382.350	1.908	50	5		GDBAMN
O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc2c(c1)OCO2	ZINC000103610255	570887682	/nfs/dbraw/zinc/88/76/82/570887682.db2.gz	WOCJGMGYXGLURX-GDBMZVCRSA-N	0	1	381.300	1.616	50	5		GDBAMN
CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@@H]2C1	ZINC000036319061	205010686	/nfs/dbraw/zinc/01/06/86/205010686.db2.gz	OFMVHXRWZWKHGH-KBXCAEBGSA-N	0	1	387.396	1.196	50	5		GDBAMN
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@@H]2C1	ZINC000036319061	205010690	/nfs/dbraw/zinc/01/06/90/205010690.db2.gz	OFMVHXRWZWKHGH-KBXCAEBGSA-N	0	1	387.396	1.196	50	5		GDBAMN
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009130080	530550645	/nfs/dbraw/zinc/55/06/45/530550645.db2.gz	JCDKSHHNFYVXKC-UHFFFAOYSA-N	0	1	391.814	1.696	50	5		GDBAMN
NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000018994594	530567564	/nfs/dbraw/zinc/56/75/64/530567564.db2.gz	HKHYNSJTJUWLSU-UHFFFAOYSA-N	0	1	375.359	1.182	50	5		GDBAMN
O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000009613312	204318075	/nfs/dbraw/zinc/31/80/75/204318075.db2.gz	JOJGIMIQVDMTMU-UHFFFAOYSA-N	0	1	395.393	1.571	50	5		GDBAMN
COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000035867436	570466272	/nfs/dbraw/zinc/46/62/72/570466272.db2.gz	ABSIWQHUCURGSM-UHFFFAOYSA-N	0	1	378.337	1.452	50	5		GDBAMN
CS(=O)(=O)c1ccc([S@](=O)CC(=O)OCc2ccccc2)c([N+](=O)[O-])c1	ZINC000006682071	204192357	/nfs/dbraw/zinc/19/23/57/204192357.db2.gz	HOPVGZYLIFZCOP-VWLOTQADSA-N	0	1	397.430	1.849	50	5		GDBAMN
CN1CCN(c2cc(CNC(=O)CCNc3ccccc3[N+](=O)[O-])ccn2)CC1	ZINC000047672172	570214206	/nfs/dbraw/zinc/21/42/06/570214206.db2.gz	ONUSZDCJDYXKTH-UHFFFAOYSA-N	0	1	398.467	1.860	50	5		GDBAMN
COC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)c1	ZINC000023144630	570916539	/nfs/dbraw/zinc/91/65/39/570916539.db2.gz	YUNJYBLDWTZNGO-UHFFFAOYSA-N	0	1	395.393	1.586	50	5		GDBAMN
CCN(CC)S(=O)(=O)c1ccc(N(C)Cc2n[nH]c(C)n2)c([N+](=O)[O-])c1	ZINC000072307709	570298366	/nfs/dbraw/zinc/29/83/66/570298366.db2.gz	GRQNUUDSOJCMDU-UHFFFAOYSA-N	0	1	382.446	1.688	50	5		GDBAMN
CCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC	ZINC000012834353	717107173	/nfs/dbraw/zinc/10/71/73/717107173.db2.gz	QIJYAMAPPUXBSC-CQSZACIVSA-O	0	1	398.413	1.881	50	5		GDBAMN
O=C1[C@@H]2CCCN2C(=O)N1CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000006815688	204212086	/nfs/dbraw/zinc/21/20/86/204212086.db2.gz	DSSKDOFZEWYVPZ-KRWDZBQOSA-N	0	1	387.440	1.534	50	5		GDBAMN
C[C@@H]1N[C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21	ZINC000016031474	570313101	/nfs/dbraw/zinc/31/31/01/570313101.db2.gz	ZPHWWXPGFONSCT-KXDDBMSCSA-N	0	1	392.371	1.540	50	5	biogenic	GDBAMN
O=C1C2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000103560560	570886859	/nfs/dbraw/zinc/88/68/59/570886859.db2.gz	HJSZGCVBLOWSJA-DZGCQCFKSA-N	0	1	382.288	1.796	50	5		GDBAMN
O=C1[C@H]2CCCN2C(=O)N1CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000006815690	204211225	/nfs/dbraw/zinc/21/12/25/204211225.db2.gz	DSSKDOFZEWYVPZ-QGZVFWFLSA-N	0	1	387.440	1.534	50	5		GDBAMN
C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	ZINC000138306489	570525247	/nfs/dbraw/zinc/52/52/47/570525247.db2.gz	CJYDZOQNSMKQGM-LTBQAUOJSA-N	0	1	392.371	1.540	50	5		GDBAMN
CC(=O)Oc1ccc(N2C(=O)C3ON=C(c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	ZINC000101592233	570827010	/nfs/dbraw/zinc/82/70/10/570827010.db2.gz	XISGFXBMIADESE-DOTOQJQBSA-N	0	1	395.327	1.813	50	5		GDBAMN
CN(c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)S(C)(=O)=O	ZINC000013153134	530558099	/nfs/dbraw/zinc/55/80/99/530558099.db2.gz	ACTQJUVLWPHEMS-UHFFFAOYSA-N	0	1	385.423	1.791	50	5		GDBAMN
CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000003387935	204002966	/nfs/dbraw/zinc/00/29/66/204002966.db2.gz	ZGGOHCMAFRCALM-UHFFFAOYSA-N	0	1	385.423	1.646	50	5		GDBAMN
COCCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000017321721	204612769	/nfs/dbraw/zinc/61/27/69/204612769.db2.gz	HHHHLYTYGMQGLQ-UHFFFAOYSA-N	0	1	379.394	1.772	50	5		GDBAMN
O=C(Nc1nc[nH]n1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000033854447	570420460	/nfs/dbraw/zinc/42/04/60/570420460.db2.gz	SECDMUXPBBFQEJ-UHFFFAOYSA-N	0	1	388.365	1.766	50	5		GDBAMN
NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000003995701	530535166	/nfs/dbraw/zinc/53/51/66/530535166.db2.gz	NZICCMXJKTVHQS-UHFFFAOYSA-N	0	1	391.814	1.696	50	5		GDBAMN
CC(C)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000030957128	207376975	/nfs/dbraw/zinc/37/69/75/207376975.db2.gz	SJDKFESDRFFTTA-UHFFFAOYSA-N	0	1	398.485	1.146	50	5		GDBAMN
CCc1n[nH]c(-n2ccc3nc4ccn(C[C@H]5CCCO5)c(=O)c4cc3c2=O)n1	ZINC000040399157	570602702	/nfs/dbraw/zinc/60/27/02/570602702.db2.gz	WMVMYZUVYLRGDB-GFCCVEGCSA-N	0	1	392.419	1.560	50	5		GDBAMN
CCc1nc(-n2ccc3nc4ccn(C[C@H]5CCCO5)c(=O)c4cc3c2=O)n[nH]1	ZINC000040399157	570602706	/nfs/dbraw/zinc/60/27/06/570602706.db2.gz	WMVMYZUVYLRGDB-GFCCVEGCSA-N	0	1	392.419	1.560	50	5		GDBAMN
CNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000009119872	530550297	/nfs/dbraw/zinc/55/02/97/530550297.db2.gz	FVJKMYUTAXXHJT-UHFFFAOYSA-N	0	1	385.423	1.612	50	5		GDBAMN
COC(=O)c1ccccc1N1C(=O)C2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	ZINC000103611511	570887710	/nfs/dbraw/zinc/88/77/10/570887710.db2.gz	MMMQHJFAHMNBHD-GOEBONIOSA-N	0	1	395.327	1.674	50	5		GDBAMN
CN1CCN(c2cc(CNC(=O)COc3cccc([N+](=O)[O-])c3)ccn2)CC1	ZINC000048355868	570244405	/nfs/dbraw/zinc/24/44/05/570244405.db2.gz	VRXYCOGHLVEZID-UHFFFAOYSA-N	0	1	385.424	1.437	50	5		GDBAMN
CC(=O)Oc1ccc(N2C(=O)C3ON=C(c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000101593131	570826950	/nfs/dbraw/zinc/82/69/50/570826950.db2.gz	MFUYJJOIVFQJKJ-DOTOQJQBSA-N	0	1	395.327	1.813	50	5		GDBAMN
C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1	ZINC000095351112	208158668	/nfs/dbraw/zinc/15/86/68/208158668.db2.gz	SMLGPZQDMGHGKS-LLVKDONJSA-N	0	1	378.410	1.532	50	5		GDBAMN
C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	ZINC000247931506	570430543	/nfs/dbraw/zinc/43/05/43/570430543.db2.gz	CJYDZOQNSMKQGM-NBFIXFRYSA-N	0	1	392.371	1.540	50	5		GDBAMN
O=C1Cc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3NCCO)ccc2N1	ZINC000022990062	207266749	/nfs/dbraw/zinc/26/67/49/207266749.db2.gz	XCDKNVGJIWCPIB-UHFFFAOYSA-N	0	1	392.393	1.294	50	5		GDBAMN
C[C@@H]1N[C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21	ZINC000016042870	570313539	/nfs/dbraw/zinc/31/35/39/570313539.db2.gz	CJYDZOQNSMKQGM-KXDDBMSCSA-N	0	1	392.371	1.540	50	5	biogenic	GDBAMN
CS(=O)(=O)c1ccc([S@@](=O)CC(=O)OCc2ccccc2)c([N+](=O)[O-])c1	ZINC000000952013	206336967	/nfs/dbraw/zinc/33/69/67/206336967.db2.gz	HOPVGZYLIFZCOP-RUZDIDTESA-N	0	1	397.430	1.849	50	5		GDBAMN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2CN[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000248128575	570442378	/nfs/dbraw/zinc/44/23/78/570442378.db2.gz	WHNKKZPZINDTMQ-RRBXVBTKSA-N	0	1	392.371	1.460	50	5		GDBAMN
Cc1n[nH]c(-n2ccc3nc4ccn(Cc5cccnc5)c(=O)c4cc3c2=O)n1	ZINC000040287260	570597617	/nfs/dbraw/zinc/59/76/17/570597617.db2.gz	VLZFFHVGRZXTSW-UHFFFAOYSA-N	0	1	385.387	1.570	50	5		GDBAMN
CCN1CCN([C@@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)CC1	ZINC000089977303	208110694	/nfs/dbraw/zinc/11/06/94/208110694.db2.gz	PAVTXAZYQXOSTB-OAHLLOKOSA-N	0	1	377.445	1.847	50	5		GDBAMN
C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000138235467	208148925	/nfs/dbraw/zinc/14/89/25/208148925.db2.gz	ZPHWWXPGFONSCT-LTBQAUOJSA-N	0	1	392.371	1.540	50	5		GDBAMN
COC(=O)c1ccccc1N1C(=O)C2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	ZINC000103530528	570885697	/nfs/dbraw/zinc/88/56/97/570885697.db2.gz	IUEZNBBMNDWXAK-GOEBONIOSA-N	0	1	395.327	1.674	50	5		GDBAMN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)c(OC)c1	ZINC000101244630	208390644	/nfs/dbraw/zinc/39/06/44/208390644.db2.gz	DEPZQMSFQVKPSE-WBVHZDCISA-N	0	1	397.343	1.905	50	5		GDBAMN
CCOC(=O)[C@H](C(C)=O)[C@@H](C1=C(C)[C@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1	ZINC000005326006	570554432	/nfs/dbraw/zinc/55/44/32/570554432.db2.gz	YWBXMFOWWKWTGV-OAGGEKHMSA-N	0	1	395.433	1.886	50	5		GDBAMN
O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@@H]2C(=O)N1c1ccc2c(c1)OCO2	ZINC000100857455	208383163	/nfs/dbraw/zinc/38/31/63/208383163.db2.gz	WOCJGMGYXGLURX-ZBFHGGJFSA-N	0	1	381.300	1.616	50	5		GDBAMN
COc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1[N+](=O)[O-]	ZINC000053483989	570323769	/nfs/dbraw/zinc/32/37/69/570323769.db2.gz	JUSXVEQEJGESCU-UHFFFAOYSA-N	0	1	385.424	1.680	50	5		GDBAMN
COCCNC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000004435586	570767730	/nfs/dbraw/zinc/76/77/30/570767730.db2.gz	SHKXQTCLPZXPBA-OAHLLOKOSA-N	0	1	393.783	1.597	50	5		GDBAMN
CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000034924585	570810047	/nfs/dbraw/zinc/81/00/47/570810047.db2.gz	UYRCRPXKGACVJM-CYBMUJFWSA-N	0	1	375.341	1.753	50	5		GDBAMN
O=[N+]([O-])c1ccc2nc(N3CCC(O)(CN4CCOCC4)CC3)sc2c1	ZINC000095468684	208191119	/nfs/dbraw/zinc/19/11/19/208191119.db2.gz	CGWGLPXYNAFIFJ-UHFFFAOYSA-N	0	1	378.454	1.868	50	5		GDBAMN
COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCSC)cc([N+](=O)[O-])c1O	ZINC000035961627	570488355	/nfs/dbraw/zinc/48/83/55/570488355.db2.gz	UVGACNYOLGHBLQ-CYBMUJFWSA-N	0	1	397.409	1.843	50	5		GDBAMN
O=C1[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000103560827	570886518	/nfs/dbraw/zinc/88/65/18/570886518.db2.gz	VWWLKROYCVMWQW-UKRRQHHQSA-N	0	1	382.288	1.796	50	5		GDBAMN
O=C(C1=C2C(=O)N(Cc3ccccc3)C(=O)C2NN1)c1ccc([N+](=O)[O-])cc1	ZINC000098086179	208367812	/nfs/dbraw/zinc/36/78/12/208367812.db2.gz	FXQVBGFDZSRHIO-GOEBONIOSA-N	0	1	378.344	1.291	50	5		GDBAMN
CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc([N+](=O)[O-])c1O	ZINC000036180231	570562588	/nfs/dbraw/zinc/56/25/88/570562588.db2.gz	IPISNRKXMMSHHF-IZZDOVSWSA-N	0	1	382.350	1.908	50	5		GDBAMN
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000024222816	530576629	/nfs/dbraw/zinc/57/66/29/530576629.db2.gz	XXDSKGDEXUVMJA-UHFFFAOYSA-N	0	1	385.423	1.646	50	5		GDBAMN
COCCNc1ccc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000030603076	207371425	/nfs/dbraw/zinc/37/14/25/207371425.db2.gz	NQOJRWLSLZLMLI-HUUCEWRRSA-N	0	1	394.472	1.882	50	5		GDBAMN
CS(=O)(=O)c1ccc([S@](=O)CC(=O)Oc2ccccc2)c([N+](=O)[O-])c1	ZINC000004978259	530538001	/nfs/dbraw/zinc/53/80/01/530538001.db2.gz	HPTPNDZUQKXJFF-DEOSSOPVSA-N	0	1	383.403	1.712	50	5		GDBAMN
CS(=O)(=O)Nc1cccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1	ZINC000025240299	570743912	/nfs/dbraw/zinc/74/39/12/570743912.db2.gz	SPKROGMUFIIWQK-UHFFFAOYSA-N	0	1	389.393	1.773	50	5		GDBAMN
O=C1C2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2	ZINC000103615917	570887367	/nfs/dbraw/zinc/88/73/67/570887367.db2.gz	RJKPZJOBQKDYHJ-DOTOQJQBSA-N	0	1	395.327	1.659	50	5		GDBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1	ZINC000009569127	206334170	/nfs/dbraw/zinc/33/41/70/206334170.db2.gz	SJDLUIAVEIPXDA-UHFFFAOYSA-N	0	1	397.434	1.936	50	5		GDBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCc3cccnc3)[C@@H]2C1	ZINC000035870243	570468225	/nfs/dbraw/zinc/46/82/25/570468225.db2.gz	DUAIGFHZVAEYON-HKUYNNGSSA-N	0	1	381.436	1.599	50	5		GDBAMN
C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21	ZINC000016042868	570313499	/nfs/dbraw/zinc/31/34/99/570313499.db2.gz	CJYDZOQNSMKQGM-GURBDPPWSA-N	0	1	392.371	1.540	50	5		GDBAMN
C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21	ZINC000102753580	570862361	/nfs/dbraw/zinc/86/23/61/570862361.db2.gz	CJYDZOQNSMKQGM-QEIBSMPJSA-N	0	1	392.371	1.540	50	5		GDBAMN
CCOc1ccc(N2C(=O)C[C@@H](NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1	ZINC000004553079	570863876	/nfs/dbraw/zinc/86/38/76/570863876.db2.gz	ZKLPAGVDBAQZPP-MRXNPFEDSA-N	0	1	399.407	1.722	50	5		GDBAMN
O=C1C2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000103560836	570886970	/nfs/dbraw/zinc/88/69/70/570886970.db2.gz	VWWLKROYCVMWQW-DZGCQCFKSA-N	0	1	382.288	1.796	50	5		GDBAMN
COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cc1	ZINC000022990065	570744356	/nfs/dbraw/zinc/74/43/56/570744356.db2.gz	RXYABTVPYHWJDL-UHFFFAOYSA-N	0	1	395.393	1.586	50	5		GDBAMN
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1	ZINC000002357954	209358334	/nfs/dbraw/zinc/35/83/34/209358334.db2.gz	UEDULZDJQOYAMT-UHFFFAOYSA-N	0	1	388.380	1.979	50	5		GDBAMN
C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21	ZINC000016031471	570313155	/nfs/dbraw/zinc/31/31/55/570313155.db2.gz	ZPHWWXPGFONSCT-GURBDPPWSA-N	0	1	392.371	1.540	50	5		GDBAMN
O=C1[C@@H]2CCCN2C(=O)N1CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004661376	570811595	/nfs/dbraw/zinc/81/15/95/570811595.db2.gz	UINIZMWHKSTUGR-KRWDZBQOSA-N	0	1	387.440	1.534	50	5		GDBAMN
C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1	ZINC000095351111	211221867	/nfs/dbraw/zinc/22/18/67/211221867.db2.gz	SMLGPZQDMGHGKS-NSHDSACASA-N	0	1	378.410	1.532	50	5		GDBAMN
COC(=O)CC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1	ZINC000095415961	211239037	/nfs/dbraw/zinc/23/90/37/211239037.db2.gz	XHICGZPETDSKJY-UHFFFAOYSA-N	0	1	385.804	1.889	50	5		GDBAMN
CCOc1ccc(N2C(=O)C[C@H](NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1	ZINC000018116023	210214904	/nfs/dbraw/zinc/21/49/04/210214904.db2.gz	ZKLPAGVDBAQZPP-INIZCTEOSA-N	0	1	399.407	1.722	50	5		GDBAMN
Cc1n[nH]c(-n2ccc3nc4ccn(C[C@@H]5CCCO5)c(=O)c4cc3c2=O)n1	ZINC000040267302	570596885	/nfs/dbraw/zinc/59/68/85/570596885.db2.gz	ITAPJOKGCDTTHZ-LBPRGKRZSA-N	0	1	378.392	1.306	50	5		GDBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2ON=C(c3c(C)nn(C)c3C)[C@@H]2C1=O	ZINC000101484619	570824566	/nfs/dbraw/zinc/82/45/66/570824566.db2.gz	LFBTWLFHHRIBMD-GOEBONIOSA-N	0	1	399.363	1.246	50	5		GDBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)C2ON=C(c3c(C)nn(C)c3C)[C@@H]2C1=O	ZINC000101484619	570824567	/nfs/dbraw/zinc/82/45/67/570824567.db2.gz	LFBTWLFHHRIBMD-GOEBONIOSA-N	0	1	399.363	1.246	50	5		GDBAMN
O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2	ZINC000103610267	570887733	/nfs/dbraw/zinc/88/77/33/570887733.db2.gz	WOCJGMGYXGLURX-HOCLYGCPSA-N	0	1	381.300	1.616	50	5		GDBAMN
COc1ccc(N2C(=O)C[C@@H](NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1	ZINC000004553049	570863769	/nfs/dbraw/zinc/86/37/69/570863769.db2.gz	KWZWAXKMKFYXPO-OAHLLOKOSA-N	0	1	385.380	1.332	50	5		GDBAMN
O=C1C2ON=C(c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000101078099	534835484	/nfs/dbraw/zinc/83/54/84/534835484.db2.gz	VWWLKROYCVMWQW-HIFRSBDPSA-N	0	1	382.288	1.796	50	5		GDBAMN
CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(N2CCN(C)CC2)c1	ZINC000048365476	570245543	/nfs/dbraw/zinc/24/55/43/570245543.db2.gz	MSDNLNDKTKFOFZ-UHFFFAOYSA-N	0	1	384.440	1.713	50	5		GDBAMN
O=C1C2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2	ZINC000103610263	570887665	/nfs/dbraw/zinc/88/76/65/570887665.db2.gz	WOCJGMGYXGLURX-GOEBONIOSA-N	0	1	381.300	1.616	50	5		GDBAMN
O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(CN2CCOCC2)CC1	ZINC000047423656	570956273	/nfs/dbraw/zinc/95/62/73/570956273.db2.gz	BDYNYMVPWDCXOR-UHFFFAOYSA-N	0	1	376.457	1.968	50	5		GDBAMN
O=C(C1=C2C(=O)N(Cc3ccccc3)C(=O)C2NN1)c1ccc([N+](=O)[O-])cc1	ZINC000018061646	210213307	/nfs/dbraw/zinc/21/33/07/210213307.db2.gz	FXQVBGFDZSRHIO-ZBFHGGJFSA-N	0	1	378.344	1.291	50	5		GDBAMN
CN(CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1Br)C1CC1	ZINC000072307545	530805702	/nfs/dbraw/zinc/80/57/02/530805702.db2.gz	MMLMSHYYCJDDGY-UHFFFAOYSA-N	0	1	396.238	1.869	50	5		GDBAMN
C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21	ZINC000102753593	570862284	/nfs/dbraw/zinc/86/22/84/570862284.db2.gz	ZPHWWXPGFONSCT-QEIBSMPJSA-N	0	1	392.371	1.540	50	5		GDBAMN
NC(=O)Cn1nc([N+](=O)[O-])nc1Sc1nc(-c2ccccc2Cl)n[nH]1	ZINC000007004080	530543944	/nfs/dbraw/zinc/54/39/44/530543944.db2.gz	WWPDGTQTPHDMHQ-UHFFFAOYSA-N	0	1	380.777	1.261	50	5		GDBAMN
CCOC(=O)[C@H](C(C)=O)[C@@H](C1=C(C)[C@@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1	ZINC000016682152	570494246	/nfs/dbraw/zinc/49/42/46/570494246.db2.gz	YWBXMFOWWKWTGV-XHSDSOJGSA-N	0	1	395.433	1.886	50	5		GDBAMN
Cc1n[nH]c(-n2ccc3nc4ccn(Cc5ccccn5)c(=O)c4cc3c2=O)n1	ZINC000036125591	570546169	/nfs/dbraw/zinc/54/61/69/570546169.db2.gz	SQHXQTDLMQJRTI-UHFFFAOYSA-N	0	1	385.387	1.570	50	5		GDBAMN
CCc1n[nH]c(-n2ccc3nc4ccn(C[C@@H]5CCCO5)c(=O)c4cc3c2=O)n1	ZINC000040399156	570602980	/nfs/dbraw/zinc/60/29/80/570602980.db2.gz	WMVMYZUVYLRGDB-LBPRGKRZSA-N	0	1	392.419	1.560	50	5		GDBAMN
CCc1nc(-n2ccc3nc4ccn(C[C@@H]5CCCO5)c(=O)c4cc3c2=O)n[nH]1	ZINC000040399156	570602983	/nfs/dbraw/zinc/60/29/83/570602983.db2.gz	WMVMYZUVYLRGDB-LBPRGKRZSA-N	0	1	392.419	1.560	50	5		GDBAMN
CCOC(=O)[C@H](C(C)=O)[C@H](C1=C(C)[C@@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1	ZINC000016682154	221368367	/nfs/dbraw/zinc/36/83/67/221368367.db2.gz	YWBXMFOWWKWTGV-ARFHVFGLSA-N	0	1	395.433	1.886	50	5		GDBAMN
COc1ccc(N2C(=O)C[C@H](NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1	ZINC000095531945	222354474	/nfs/dbraw/zinc/35/44/74/222354474.db2.gz	KWZWAXKMKFYXPO-HNNXBMFYSA-N	0	1	385.380	1.332	50	5		GDBAMN
C[C@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C[C@H](C)N1C	ZINC000170597579	570855521	/nfs/dbraw/zinc/85/55/21/570855521.db2.gz	IEUADSVNLDSMTA-STQMWFEESA-N	0	1	376.413	1.834	50	5		GDBAMN
C[C@@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C[C@@H](C)N1C	ZINC000170597580	570855591	/nfs/dbraw/zinc/85/55/91/570855591.db2.gz	IEUADSVNLDSMTA-CHWSQXEVSA-N	0	1	376.413	1.834	50	5		GDBAMN
COCCNC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000004435589	570767811	/nfs/dbraw/zinc/76/78/11/570767811.db2.gz	SHKXQTCLPZXPBA-HNNXBMFYSA-N	0	1	393.783	1.597	50	5		GDBAMN
C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000247986719	570434042	/nfs/dbraw/zinc/43/40/42/570434042.db2.gz	ZPHWWXPGFONSCT-NBFIXFRYSA-N	0	1	392.371	1.540	50	5		GDBAMN
CCOC(=O)[C@H](C(C)=O)[C@H](C1=C(C)[C@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1	ZINC000005325995	570554334	/nfs/dbraw/zinc/55/43/34/570554334.db2.gz	YWBXMFOWWKWTGV-BZUAXINKSA-N	0	1	395.433	1.886	50	5		GDBAMN
CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cn1C	ZINC000072306286	222221916	/nfs/dbraw/zinc/22/19/16/222221916.db2.gz	PSAIKGSREFZSBQ-UHFFFAOYSA-N	0	1	383.382	1.919	50	5		GDBAMN
NS(=O)(=O)c1cccc(NC2CCN(Cc3cccnc3)CC2)c1[N+](=O)[O-]	ZINC000170616202	570873922	/nfs/dbraw/zinc/87/39/22/570873922.db2.gz	DIOQLXWRVISMGC-UHFFFAOYSA-N	0	1	391.453	1.714	50	5		GDBAMN
O=C1[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000103560842	570886581	/nfs/dbraw/zinc/88/65/81/570886581.db2.gz	VWWLKROYCVMWQW-ZFWWWQNUSA-N	0	1	382.288	1.796	50	5		GDBAMN
O=C(C1=C2C(=O)N(Cc3ccccc3)C(=O)C2NN1)c1ccc([N+](=O)[O-])cc1	ZINC000098086178	570991834	/nfs/dbraw/zinc/99/18/34/570991834.db2.gz	FXQVBGFDZSRHIO-HOCLYGCPSA-N	0	1	378.344	1.291	50	5		GDBAMN
COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc([N+](=O)[O-])cc(OC)c2O)C1=O	ZINC000013881352	221293718	/nfs/dbraw/zinc/29/37/18/221293718.db2.gz	CYAHVFSEMMNTQR-SYFUPATCSA-N	0	1	382.350	1.907	50	5		GDBAMN
O=C1[C@H]2CCCN2C(=O)N1CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004661377	570811609	/nfs/dbraw/zinc/81/16/09/570811609.db2.gz	UINIZMWHKSTUGR-QGZVFWFLSA-N	0	1	387.440	1.534	50	5		GDBAMN
CCOc1cc(C2C(C(=O)OC)=CN(C)C=C2C(=O)OC)cc([N+](=O)[O-])c1O	ZINC000035867432	570466123	/nfs/dbraw/zinc/46/61/23/570466123.db2.gz	JBQLHINMCCNVRO-UHFFFAOYSA-N	0	1	392.364	1.842	50	5		GDBAMN
COc1ccccc1-n1ccc2nc3ccn(-c4nnc[nH]4)c(=O)c3cc2c1=O	ZINC000040267962	570596920	/nfs/dbraw/zinc/59/69/20/570596920.db2.gz	DZLYWYZDPBZNIC-UHFFFAOYSA-N	0	1	386.371	1.817	50	5		GDBAMN
COc1ccccc1[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])N(C)C	ZINC000012521935	570828042	/nfs/dbraw/zinc/82/80/42/570828042.db2.gz	FOPSVTPORUETIC-MRXNPFEDSA-N	0	1	394.453	1.966	50	5		GDBAMN
O=C(c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)N1CCOCC1	ZINC000005065526	570409369	/nfs/dbraw/zinc/40/93/69/570409369.db2.gz	VNSBHVVMFXNSGC-UHFFFAOYSA-N	0	1	391.405	1.868	50	5		GDBAMN
CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002873083	530533137	/nfs/dbraw/zinc/53/31/37/530533137.db2.gz	AIMNCWLMUHMRPA-UHFFFAOYSA-N	0	1	385.423	1.694	50	5		GDBAMN
CNc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1[N+](=O)[O-]	ZINC000047672165	570214184	/nfs/dbraw/zinc/21/41/84/570214184.db2.gz	JXBRWPXFPKIIMR-UHFFFAOYSA-N	0	1	384.440	1.713	50	5		GDBAMN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]23)c(OC)c1	ZINC000103550278	570886300	/nfs/dbraw/zinc/88/63/00/570886300.db2.gz	DEPZQMSFQVKPSE-DOTOQJQBSA-N	0	1	397.343	1.905	50	5		GDBAMN
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(C)C3=O)[C@@H]2C1	ZINC000017015856	570923724	/nfs/dbraw/zinc/92/37/24/570923724.db2.gz	OFMVHXRWZWKHGH-KSSFIOAISA-N	0	1	387.396	1.196	50	5		GDBAMN
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@@H]2C1	ZINC000017015856	570923728	/nfs/dbraw/zinc/92/37/28/570923728.db2.gz	OFMVHXRWZWKHGH-KSSFIOAISA-N	0	1	387.396	1.196	50	5		GDBAMN
CC(=O)N1N=C(c2c(=O)[nH]c(=S)n(C)c2[O-])C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000101764494	570833351	/nfs/dbraw/zinc/83/33/51/570833351.db2.gz	DFRBNOQCIMORSF-LBPRGKRZSA-N	0	1	389.393	1.754	50	5		GDBAMN
COC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1	ZINC000002058212	212263597	/nfs/dbraw/zinc/26/35/97/212263597.db2.gz	ILROLEFSIJBQNU-UHFFFAOYSA-N	0	1	394.361	1.969	50	5		GDBAMN
CCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000008051120	534932936	/nfs/dbraw/zinc/93/29/36/534932936.db2.gz	OPMWHGMADDQPEY-UHFFFAOYSA-N	0	1	398.485	1.148	50	5		GDBAMN
CCc1n[nH]c(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)n1	ZINC000040399138	570602855	/nfs/dbraw/zinc/60/28/55/570602855.db2.gz	TZJZCSCMQNXFLQ-UHFFFAOYSA-N	0	1	385.387	1.765	50	5		GDBAMN
CCc1nc(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)n[nH]1	ZINC000040399138	570602860	/nfs/dbraw/zinc/60/28/60/570602860.db2.gz	TZJZCSCMQNXFLQ-UHFFFAOYSA-N	0	1	385.387	1.765	50	5		GDBAMN
CCS(=O)(=O)N1CCC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1	ZINC000036397039	570681448	/nfs/dbraw/zinc/68/14/48/570681448.db2.gz	TTYMKRAWFHKSCF-UHFFFAOYSA-N	0	1	381.414	1.015	50	5		GDBAMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCCN1CCCCC1	ZINC000007988435	221021703	/nfs/dbraw/zinc/02/17/03/221021703.db2.gz	UGZHQIZOWKHBOP-UHFFFAOYSA-N	0	1	399.469	1.480	50	5		GDBAMN
Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009492627	221082794	/nfs/dbraw/zinc/08/27/94/221082794.db2.gz	SBGRAJYCRZRKEG-UHFFFAOYSA-N	0	1	399.450	1.954	50	5		GDBAMN
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)c1O	ZINC000016225707	221359495	/nfs/dbraw/zinc/35/94/95/221359495.db2.gz	KYJPZAQFPHSQOU-VZUCSPMQSA-N	0	1	382.350	1.908	50	5		GDBAMN
Cc1n[nH]c(-n2ccc3nc4ccn(C[C@H]5CCCO5)c(=O)c4cc3c2=O)n1	ZINC000040267303	570597060	/nfs/dbraw/zinc/59/70/60/570597060.db2.gz	ITAPJOKGCDTTHZ-GFCCVEGCSA-N	0	1	378.392	1.306	50	5		GDBAMN
COc1ccccc1[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])N(C)C	ZINC000012521936	570828284	/nfs/dbraw/zinc/82/82/84/570828284.db2.gz	FOPSVTPORUETIC-INIZCTEOSA-N	0	1	394.453	1.966	50	5		GDBAMN
C[C@@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C[C@H](C)N1C	ZINC000170597578	570855565	/nfs/dbraw/zinc/85/55/65/570855565.db2.gz	IEUADSVNLDSMTA-BETUJISGSA-N	0	1	376.413	1.834	50	5		GDBAMN
O=C(C1=C2C(=O)N(Cc3ccccc3)C(=O)C2NN1)c1ccc([N+](=O)[O-])cc1	ZINC000098086180	570991844	/nfs/dbraw/zinc/99/18/44/570991844.db2.gz	FXQVBGFDZSRHIO-GDBMZVCRSA-N	0	1	378.344	1.291	50	5		GDBAMN