smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N+]2([O-])CCC[C@@H]12)[C@@H](C)O	ZINC000000265480	180742492	/nfs/dbraw/zinc/74/24/92/180742492.db2.gz	DLNWZIVYKQXLTN-OVEUVTGNSA-N	0	0	301.383	0.794	40	5		DCBBRN
CCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000020572734	182233804	/nfs/dbraw/zinc/23/38/04/182233804.db2.gz	YHPKTHXEJDIYGX-UHFFFAOYSA-N	0	0	301.324	0.399	40	5		DCBBRN
CN(C)S(=O)(=O)N(C)CC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000225962837	201763233	/nfs/dbraw/zinc/76/32/33/201763233.db2.gz	OBTIUMYMTHPQTF-UHFFFAOYSA-N	0	0	316.339	0.272	40	5		DCBBRN
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1	ZINC000001447116	180867210	/nfs/dbraw/zinc/86/72/10/180867210.db2.gz	YXTCWXHQMWQXQG-SNVBAGLBSA-N	0	0	307.306	0.572	40	5		DCBBRN
CC1=C(C(N)=O)C(c2ccccc2[N+](=O)[O-])C(C(N)=O)=C(C)N1	ZINC000019418606	182122417	/nfs/dbraw/zinc/12/24/17/182122417.db2.gz	QKZYMWPEFKROJJ-UHFFFAOYSA-N	0	0	316.317	0.800	40	5		DCBBRN
O=C1[C@H]2[C@H]3C[C@H]([C@H](O)[C@H]3O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000038574162	183002882	/nfs/dbraw/zinc/00/28/82/183002882.db2.gz	DRDIELJJGFXSFB-FRTGSEIKSA-N	0	0	318.285	0.072	40	5		DCBBRN
O=C(c1ccco1)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1	ZINC000005491250	181249075	/nfs/dbraw/zinc/24/90/75/181249075.db2.gz	LOGUCZQPTAKPOL-UHFFFAOYSA-N	0	0	319.277	0.509	40	5		DCBBRN
CC(C)[NH2+][C@H](CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000065090362	184310230	/nfs/dbraw/zinc/31/02/30/184310230.db2.gz	KTVXFUVTNAPNMT-SNVBAGLBSA-N	0	0	310.310	0.957	40	5		DCBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)C)S(C)(=O)=O	ZINC000010331404	395686102	/nfs/dbraw/zinc/68/61/02/395686102.db2.gz	SLGWBCJUICNZKI-UHFFFAOYSA-N	0	0	315.351	0.757	40	5		DCBBRN
Cc1nc(N2CCOCC2)c([N+](=O)[O-])c(N2CCOCC2)n1	ZINC000005509926	395682739	/nfs/dbraw/zinc/68/27/39/395682739.db2.gz	JPDRVHXYSVQSTI-UHFFFAOYSA-N	0	0	309.326	0.366	40	5		DCBBRN
CS(=O)(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)OC[C@@H](CO)O1	ZINC000096531656	395754395	/nfs/dbraw/zinc/75/43/95/395754395.db2.gz	ZFUYCAYSWLQLOF-VXGBXAGGSA-N	0	0	317.319	0.200	40	5		DCBBRN
Cc1cc([N+](=O)[O-])ccc1NCCN1C[C@H](C(N)=O)CC1=O	ZINC000045958651	395769158	/nfs/dbraw/zinc/76/91/58/395769158.db2.gz	VRLJWNVYTWZUBI-SNVBAGLBSA-N	0	0	306.322	0.649	40	5		DCBBRN
O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@@H]1C=C[C@@]2(CO)O1	ZINC000169616402	416026415	/nfs/dbraw/zinc/02/64/15/416026415.db2.gz	RAYRYKXJKVRUSN-OXIQGZBJSA-N	0	0	316.269	0.400	40	5		DCBBRN
CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575420767	417535767	/nfs/dbraw/zinc/53/57/67/417535767.db2.gz	KLPAAPGXVUILPI-RYUDHWBXSA-N	0	0	300.336	0.185	40	5		DCBBRN
CCn1nnc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000057316410	545657574	/nfs/dbraw/zinc/65/75/74/545657574.db2.gz	XTDDJQOJMWPHOL-UHFFFAOYSA-N	0	0	321.322	0.728	40	5		DCBBRN
CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N+]2([O-])CCC[C@@H]12)[C@H](C)O	ZINC000004063398	181068487	/nfs/dbraw/zinc/06/84/87/181068487.db2.gz	DLNWZIVYKQXLTN-UMJYHBPBSA-N	0	0	301.383	0.794	40	5		DCBBRN
O=CN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000019931663	182166386	/nfs/dbraw/zinc/16/63/86/182166386.db2.gz	OMYMPKWXWBCVJL-UHFFFAOYSA-N	0	0	313.335	0.199	40	5		DCBBRN
COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](Oc2ccc([N+](=O)[O-])cc2)O1	ZINC000005080752	395682606	/nfs/dbraw/zinc/68/26/06/395682606.db2.gz	JJMQZAYOQCSLOO-IRUJWGPZSA-N	0	0	311.246	0.109	40	5		DCBBRN
O=[N+]([O-])c1ccccc1N1C(=S)N[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000040167160	395732662	/nfs/dbraw/zinc/73/26/62/395732662.db2.gz	VILMUVXGZSXRGQ-GMSGAONNSA-N	0	0	313.360	0.455	40	5		DCBBRN
Cc1c(C(=O)NC(=S)Nc2nnn(C)n2)cccc1[N+](=O)[O-]	ZINC000057316424	533773915	/nfs/dbraw/zinc/77/39/15/533773915.db2.gz	VLLFZIJEBAAJPP-UHFFFAOYSA-N	0	0	321.322	0.554	40	5		DCBBRN
NC(=O)C(=Cn1c2cc([N+](=O)[O-])ccc2[nH]c1=S)C(N)=O	ZINC000005581445	181260033	/nfs/dbraw/zinc/26/00/33/181260033.db2.gz	JBDFXSDBDFXTCY-UHFFFAOYSA-N	0	0	307.291	0.419	40	5		DCBBRN
CN(CCO)c1cc(N(C)CCO)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004713409	181141248	/nfs/dbraw/zinc/14/12/48/181141248.db2.gz	KHXVXFODCWADCW-UHFFFAOYSA-N	0	0	314.298	0.360	40	5		DCBBRN
COC(=O)CN1CCO[C@@H](COc2ccccc2[N+](=O)[O-])C1	ZINC000217500046	257131698	/nfs/dbraw/zinc/13/16/98/257131698.db2.gz	YCTPQDFWNCJYLB-LLVKDONJSA-N	0	0	310.306	0.847	40	5		DCBBRN
O=[N+]([O-])c1cccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000040167127	304806791	/nfs/dbraw/zinc/80/67/91/304806791.db2.gz	BPQDPYBFCMCUPC-ZJUUUORDSA-N	0	0	313.360	0.455	40	5		DCBBRN
COC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)cnn1C	ZINC000002730630	180949908	/nfs/dbraw/zinc/94/99/08/180949908.db2.gz	KUSJTZLESVUTFP-UHFFFAOYSA-N	0	0	322.281	0.259	40	5		DCBBRN
COC(=O)CN1CCO[C@H](COc2ccccc2[N+](=O)[O-])C1	ZINC000217500119	257131716	/nfs/dbraw/zinc/13/17/16/257131716.db2.gz	YCTPQDFWNCJYLB-NSHDSACASA-N	0	0	310.306	0.847	40	5		DCBBRN
CN1CCN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000008091747	395683956	/nfs/dbraw/zinc/68/39/56/395683956.db2.gz	REYFSCSEDZRVTR-UHFFFAOYSA-N	0	0	307.306	0.526	40	5		DCBBRN
O=[N+]([O-])c1ccc(CN(CCO)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000072970304	396139998	/nfs/dbraw/zinc/13/99/98/396139998.db2.gz	HAFDPEZRIRARSF-CYBMUJFWSA-N	0	0	314.363	0.576	40	5		DCBBRN
Cn1nnc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000057316401	415338793	/nfs/dbraw/zinc/33/87/93/415338793.db2.gz	ZWSLRDLCWZWGIX-UHFFFAOYSA-N	0	0	307.295	0.245	40	5		DCBBRN
Cc1cc([N+](=O)[O-])ccc1NCCN1C[C@@H](C(N)=O)CC1=O	ZINC000045958654	395769067	/nfs/dbraw/zinc/76/90/67/395769067.db2.gz	VRLJWNVYTWZUBI-JTQLQIEISA-N	0	0	306.322	0.649	40	5		DCBBRN
CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1	ZINC000070461859	396101768	/nfs/dbraw/zinc/10/17/68/396101768.db2.gz	CKVKBVIEGOXCCW-UHFFFAOYSA-N	0	0	316.321	0.844	40	5		DCBBRN
N=c1sc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3nc2n1N	ZINC000016383585	274933789	/nfs/dbraw/zinc/93/37/89/274933789.db2.gz	LZOGHUWYLOAXHD-UHFFFAOYSA-N	0	0	307.251	0.656	40	5		DCBBRN
CCS(=O)(=O)N(C)CC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000175676337	186186986	/nfs/dbraw/zinc/18/69/86/186186986.db2.gz	KVULAMFXXDSGLP-UHFFFAOYSA-N	0	0	301.324	0.815	40	5		DCBBRN
COC(=O)[C@H](NC(C)=O)[C@H](OC(C)=O)c1ccccc1[N+](=O)[O-]	ZINC000003040459	291764787	/nfs/dbraw/zinc/76/47/87/291764787.db2.gz	KTSATNYJOVLCHN-CHWSQXEVSA-N	0	0	324.289	0.877	40	5		DCBBRN
O=C(CCn1ccc([N+](=O)[O-])n1)NCCCN1CCOCC1	ZINC000022239122	395691702	/nfs/dbraw/zinc/69/17/02/395691702.db2.gz	VKRKEJDLQQUMGM-UHFFFAOYSA-N	0	0	311.342	0.020	40	5		DCBBRN
O=[N+]([O-])c1cccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000040167121	395732927	/nfs/dbraw/zinc/73/29/27/395732927.db2.gz	BPQDPYBFCMCUPC-VHSXEESVSA-N	0	0	313.360	0.455	40	5		DCBBRN
NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1N1CCC(C(N)=O)CC1	ZINC000059488603	395958939	/nfs/dbraw/zinc/95/89/39/395958939.db2.gz	UYCRHWKBWDWRGS-DAFODLJHSA-N	0	0	318.333	0.795	40	5		DCBBRN
O=[N+]([O-])c1ccccc1N1C(=S)N[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000040167158	415193799	/nfs/dbraw/zinc/19/37/99/415193799.db2.gz	VILMUVXGZSXRGQ-XVKPBYJWSA-N	0	0	313.360	0.455	40	5		DCBBRN
CCN1CCN(c2c([N+](=O)[O-])cc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000026508743	276387676	/nfs/dbraw/zinc/38/76/76/276387676.db2.gz	GAWMPOMPIRMGMC-UHFFFAOYSA-N	0	0	323.309	0.744	40	5		DCBBRN
CCOC(=O)C1=C(C)N(N)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])o1	ZINC000408731063	528616176	/nfs/dbraw/zinc/61/61/76/528616176.db2.gz	KESXOGSZLYFDRL-SNVBAGLBSA-N	0	0	310.266	0.965	40	5		DCBBRN
O=C(Nc1nc2ccc([N+](=O)[O-])cc2[n+]([O-])n1)C(F)(F)F	ZINC000104281432	534974464	/nfs/dbraw/zinc/97/44/64/534974464.db2.gz	QGYRYQLIDKHSSX-UHFFFAOYSA-O	0	0	304.164	0.886	40	5		DCBBRN
O=[N+]([O-])c1cc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)ccc1Cl	ZINC000003897398	181054279	/nfs/dbraw/zinc/05/42/79/181054279.db2.gz	NGWUZGSHJOZWRB-DBIOUOCHSA-N	0	0	304.686	0.099	40	5		DCBBRN
Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(N)=O	ZINC000005008298	181190000	/nfs/dbraw/zinc/19/00/00/181190000.db2.gz	VUUPUWOSZDHQIN-UHFFFAOYSA-N	0	0	323.334	0.880	40	5		DCBBRN
Cc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N	ZINC000020842320	236850998	/nfs/dbraw/zinc/85/09/98/236850998.db2.gz	AFXZYHHFWLLGJU-UHFFFAOYSA-N	0	0	308.323	0.939	40	5		DCBBRN
COC(=O)C1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@](C)(O)C1	ZINC000005359595	181234199	/nfs/dbraw/zinc/23/41/99/181234199.db2.gz	LDCHGAHYGHKMCI-CYBMUJFWSA-N	0	0	307.262	0.678	40	5		DCBBRN
O=[N+]([O-])c1ccc2[nH]c(SC[C@H](O)COCCO)nc2c1	ZINC000006382955	181335765	/nfs/dbraw/zinc/33/57/65/181335765.db2.gz	DDALJWJDXGRPDN-SECBINFHSA-N	0	0	313.335	0.933	40	5		DCBBRN
O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000040386632	183059610	/nfs/dbraw/zinc/05/96/10/183059610.db2.gz	DVNBCEQOQIYTJZ-QMMMGPOBSA-N	0	0	316.277	0.783	40	5		DCBBRN
CNc1ncnc(Sc2nc(N)nc3nc[nH]c32)c1[N+](=O)[O-]	ZINC000008565029	395684805	/nfs/dbraw/zinc/68/48/05/395684805.db2.gz	URIYRDCSAYRGKI-UHFFFAOYSA-N	0	0	319.310	0.826	40	5	in-vitro	DCBBRN
CS(=O)(=O)Oc1cc2ncc(-n3cc([N+](=O)[O-])cn3)cn2n1	ZINC000003095084	395682322	/nfs/dbraw/zinc/68/23/22/395682322.db2.gz	AXJFWQPEMXURLA-UHFFFAOYSA-N	0	0	324.278	0.162	40	5		DCBBRN
CS(=O)(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)OC[C@@H](CO)O1	ZINC000096531673	193676780	/nfs/dbraw/zinc/67/67/80/193676780.db2.gz	LKSAUXOSKQCQIG-NEPJUHHUSA-N	0	0	317.319	0.200	40	5		DCBBRN
O=[N+]([O-])c1cc2nc(N(CCO)CCO)[nH]c2cc1[N+](=O)[O-]	ZINC000016383580	182042957	/nfs/dbraw/zinc/04/29/57/182042957.db2.gz	BLGWLKPGQWOBJN-UHFFFAOYSA-N	0	0	311.254	0.170	40	5		DCBBRN
CC(=O)N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1	ZINC000003026531	395682306	/nfs/dbraw/zinc/68/23/06/395682306.db2.gz	ZVRIGXKAUDNKDM-GXDHUFHOSA-N	0	0	319.317	0.931	40	5		DCBBRN
CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000575420766	417535377	/nfs/dbraw/zinc/53/53/77/417535377.db2.gz	KLPAAPGXVUILPI-NWDGAFQWSA-N	0	0	300.336	0.185	40	5		DCBBRN
Cn1nnc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000057316409	534334635	/nfs/dbraw/zinc/33/46/35/534334635.db2.gz	QCLWLDLKAIMRNM-UHFFFAOYSA-N	0	0	307.295	0.245	40	5		DCBBRN
O=C(c1ccccc1)[C@H]1CN2CN3CN1C[C@@]([N+](=O)[O-])(C3)C2	ZINC000019327614	182116459	/nfs/dbraw/zinc/11/64/59/182116459.db2.gz	XITRGBYWPOZLMP-HIFRSBDPSA-N	0	0	302.334	0.115	40	5		DCBBRN
O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000040386635	183059416	/nfs/dbraw/zinc/05/94/16/183059416.db2.gz	VAEHEFRIJCBYAN-QMMMGPOBSA-N	0	0	316.277	0.783	40	5		DCBBRN
Nn1ccc2nc3ccn(Cc4cccnc4)c(=O)c3cc2c1=O	ZINC000040398632	183061328	/nfs/dbraw/zinc/06/13/28/183061328.db2.gz	HCKIJVOKHKYWMI-UHFFFAOYSA-N	0	0	319.324	0.869	40	5		DCBBRN
COc1cc(NC(=O)CN2CCN(C)CC2)ccc1[N+](=O)[O-]	ZINC000408553274	532977293	/nfs/dbraw/zinc/97/72/93/532977293.db2.gz	PQNNHQFWLGNGKR-UHFFFAOYSA-N	0	0	308.338	0.789	40	5		DCBBRN
C[C@]1(n2c(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1	ZINC000040166754	415193570	/nfs/dbraw/zinc/19/35/70/415193570.db2.gz	HSNYVIJTXKMMBX-LBPRGKRZSA-N	0	0	311.319	0.772	40	5		DCBBRN
NC(=O)c1nn2cc(-c3n[nH]cc3[N+](=O)[O-])cnc2c1[N+](=O)[O-]	ZINC000013642392	395688846	/nfs/dbraw/zinc/68/88/46/395688846.db2.gz	DOWBGTGDNCZBDH-UHFFFAOYSA-N	0	0	318.209	0.035	40	5		DCBBRN
O=C(COc1ccc([N+](=O)[O-])cc1)OCCN1CCOCC1	ZINC000031938787	395708628	/nfs/dbraw/zinc/70/86/28/395708628.db2.gz	PAIXMTGXICANES-UHFFFAOYSA-N	0	0	310.306	0.849	40	5		DCBBRN
O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCOCC1	ZINC000000422694	180784497	/nfs/dbraw/zinc/78/44/97/180784497.db2.gz	DPDANSFEFIYGPZ-UHFFFAOYSA-N	0	0	318.293	0.107	40	5		DCBBRN
O=[N+]([O-])c1ccc2[nH]c(SC[C@@H](O)COCCO)nc2c1	ZINC000006382956	181335939	/nfs/dbraw/zinc/33/59/39/181335939.db2.gz	DDALJWJDXGRPDN-VIFPVBQESA-N	0	0	313.335	0.933	40	5		DCBBRN
COC(=O)CN1CCO[C@H](COc2cccc([N+](=O)[O-])c2)C1	ZINC000217501709	257131710	/nfs/dbraw/zinc/13/17/10/257131710.db2.gz	WEMDZXVXWJEHGA-ZDUSSCGKSA-N	0	0	310.306	0.847	40	5		DCBBRN
O=C1[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000033911800	395717809	/nfs/dbraw/zinc/71/78/09/395717809.db2.gz	LKKZWDCIUPUKAE-OXJKWZBOSA-N	0	0	316.269	0.400	40	5		DCBBRN
NC(=O)c1cc(Cl)c(Sc2nncn2N)c([N+](=O)[O-])c1	ZINC000070462514	396102306	/nfs/dbraw/zinc/10/23/06/396102306.db2.gz	TXSYJEVCKGRBOT-UHFFFAOYSA-N	0	0	314.714	0.804	40	5		DCBBRN
CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N@+]2([O-])CCC[C@@H]12)[C@H](C)O	ZINC000252693513	416334609	/nfs/dbraw/zinc/33/46/09/416334609.db2.gz	DLNWZIVYKQXLTN-YOPIWALVSA-N	0	0	301.383	0.794	40	5	biogenic	DCBBRN
C[C@H]1O[C@@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000003897426	181054384	/nfs/dbraw/zinc/05/43/84/181054384.db2.gz	OIXCBKIWQLOFTQ-NWOINBQQSA-N	0	0	318.713	0.488	40	5		DCBBRN
COC(=O)CN1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2)C1	ZINC000217503117	257131764	/nfs/dbraw/zinc/13/17/64/257131764.db2.gz	QNWRPCDNOZXCOY-CYBMUJFWSA-N	0	0	310.306	0.847	40	5		DCBBRN
CS(=O)(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)OC[C@@H](CO)O1	ZINC000096531655	395754182	/nfs/dbraw/zinc/75/41/82/395754182.db2.gz	ZFUYCAYSWLQLOF-NEPJUHHUSA-N	0	0	317.319	0.200	40	5		DCBBRN
COC(=O)c1c(I)c([N+](=O)[O-])nn1C	ZINC000072339433	277417833	/nfs/dbraw/zinc/41/78/33/277417833.db2.gz	BEHIFYDUQPJGJH-UHFFFAOYSA-N	0	0	311.035	0.720	40	5		DCBBRN
O=[N+]([O-])c1cc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)ccc1Cl	ZINC000003897400	181054429	/nfs/dbraw/zinc/05/44/29/181054429.db2.gz	NGWUZGSHJOZWRB-CHWFTXMASA-N	0	0	304.686	0.099	40	5		DCBBRN
O=[N+]([O-])c1ccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000040167198	415193096	/nfs/dbraw/zinc/19/30/96/415193096.db2.gz	FVORPSABWHZDEJ-VHSXEESVSA-N	0	0	313.360	0.455	40	5		DCBBRN
COC(=O)c1nn(C)c([N+](=O)[O-])c1I	ZINC000072339426	415414916	/nfs/dbraw/zinc/41/49/16/415414916.db2.gz	LXHDLIUHVCNCJM-UHFFFAOYSA-N	0	0	311.035	0.720	40	5		DCBBRN
O=[N+]([O-])c1ccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000040167204	304802889	/nfs/dbraw/zinc/80/28/89/304802889.db2.gz	FVORPSABWHZDEJ-ZJUUUORDSA-N	0	0	313.360	0.455	40	5		DCBBRN
CC(C)[NH2+][C@@H](CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000065090361	184310309	/nfs/dbraw/zinc/31/03/09/184310309.db2.gz	KTVXFUVTNAPNMT-JTQLQIEISA-N	0	0	310.310	0.957	40	5		DCBBRN
COC(=O)CN1CCO[C@@H](COc2cccc([N+](=O)[O-])c2)C1	ZINC000217501625	257131379	/nfs/dbraw/zinc/13/13/79/257131379.db2.gz	WEMDZXVXWJEHGA-CYBMUJFWSA-N	0	0	310.306	0.847	40	5		DCBBRN
O=[N+]([O-])c1cc([N+](=O)[O-])c(OC[C@@H](O)CO)c([N+](=O)[O-])c1	ZINC000104160996	415623784	/nfs/dbraw/zinc/62/37/84/415623784.db2.gz	LEEUBRSBSFSCOR-LURJTMIESA-N	0	0	303.183	0.143	40	5		DCBBRN
COC(=O)CN1C(=O)N/C(=C/c2ccccc2[N+](=O)[O-])C1=O	ZINC000408548590	533501900	/nfs/dbraw/zinc/50/19/00/533501900.db2.gz	JFIIRCFCLHGWOL-RMKNXTFCSA-N	0	0	305.246	0.661	40	5		DCBBRN
C[C@@H]1O[C@@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000003897427	181054107	/nfs/dbraw/zinc/05/41/07/181054107.db2.gz	OIXCBKIWQLOFTQ-LNOLMHQLSA-N	0	0	318.713	0.488	40	5		DCBBRN
Cc1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1[N+](=O)[O-]	ZINC000013649250	395688823	/nfs/dbraw/zinc/68/88/23/395688823.db2.gz	URPPNMSGUVXROO-UHFFFAOYSA-N	0	0	313.335	0.366	40	5		DCBBRN
Cc1nn(C)cc1CNC(=O)CCn1ncc([N+](=O)[O-])c1C	ZINC000002794147	395681965	/nfs/dbraw/zinc/68/19/65/395681965.db2.gz	DWHOYQZDYRGTSJ-UHFFFAOYSA-N	0	0	306.326	0.848	40	5		DCBBRN
CCc1nnc(Sc2ccc([N+](=O)[O-])cc2C(N)=O)n1N	ZINC000070462407	396102252	/nfs/dbraw/zinc/10/22/52/396102252.db2.gz	LEFMSKIPSROPNX-UHFFFAOYSA-N	0	0	308.323	0.713	40	5		DCBBRN
COC(=O)CN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C1=O	ZINC000408549257	533501414	/nfs/dbraw/zinc/50/14/14/533501414.db2.gz	RNJOUZOEWJXDSL-UXBLZVDNSA-N	0	0	305.246	0.661	40	5		DCBBRN
C[C@@H]1O[C@@H](Sc2ccccc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O	ZINC000004763115	415130231	/nfs/dbraw/zinc/13/02/31/415130231.db2.gz	XVVUGNDGMVOWSK-CVRLDPAZSA-N	0	0	301.320	0.514	40	5		DCBBRN
NC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000005425789	415134748	/nfs/dbraw/zinc/13/47/48/415134748.db2.gz	WXHBKYUEQMLUCW-UHFFFAOYSA-N	0	0	322.277	0.841	40	5		DCBBRN
CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575423093	417534241	/nfs/dbraw/zinc/53/42/41/417534241.db2.gz	YACHULVDAIXQQN-OLZOCXBDSA-N	0	0	314.363	0.575	40	5		DCBBRN
C[NH2+][C@@H](CC(=O)N1CCc2c1c([N+](=O)[O-])ccc2OC)C(=O)[O-]	ZINC000215738732	1158291024	/nfs/dbraw/zinc/29/10/24/1158291024.db2.gz	MUCRWOILMOHLGD-VIFPVBQESA-N	0	0	323.305	0.555	40	5		DCBBRN
COC(=O)C1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@](C)(O)C1	ZINC000005356534	181233842	/nfs/dbraw/zinc/23/38/42/181233842.db2.gz	LDCHGAHYGHKMCI-ZDUSSCGKSA-N	0	0	307.262	0.678	40	5		DCBBRN
CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000035276573	395720074	/nfs/dbraw/zinc/72/00/74/395720074.db2.gz	BMKPRZAWBKQDAC-UHFFFAOYSA-N	0	0	308.294	0.820	40	5		DCBBRN
O=[N+]([O-])c1ccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000040167200	280365598	/nfs/dbraw/zinc/36/55/98/280365598.db2.gz	FVORPSABWHZDEJ-UWVGGRQHSA-N	0	0	313.360	0.455	40	5		DCBBRN
Nc1nonc1OCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000045206858	332296038	/nfs/dbraw/zinc/29/60/38/332296038.db2.gz	NZUHTHCPLWIPTG-UHFFFAOYSA-N	0	0	310.226	0.959	40	5		DCBBRN
COC(=O)Cn1cc(I)c([N+](=O)[O-])n1	ZINC000072339430	191126105	/nfs/dbraw/zinc/12/61/05/191126105.db2.gz	XQXPHDGZJYDNNZ-UHFFFAOYSA-N	0	0	311.035	0.569	40	5		DCBBRN
COC(=O)[C@H](NC(C)=O)[C@@H](OC(C)=O)c1ccccc1[N+](=O)[O-]	ZINC000003040462	291764790	/nfs/dbraw/zinc/76/47/90/291764790.db2.gz	KTSATNYJOVLCHN-OLZOCXBDSA-N	0	0	324.289	0.877	40	5		DCBBRN
O=[N+]([O-])c1cc(S(=O)(=O)N(CCO)CCO)ccc1Cl	ZINC000029488414	395698575	/nfs/dbraw/zinc/69/85/75/395698575.db2.gz	PEPBAZKEMFNVJS-UHFFFAOYSA-N	0	0	324.742	0.224	40	5		DCBBRN
O=[N+]([O-])c1ccccc1N1C(=S)N[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000040167162	304807636	/nfs/dbraw/zinc/80/76/36/304807636.db2.gz	VILMUVXGZSXRGQ-XCBNKYQSSA-N	0	0	313.360	0.455	40	5		DCBBRN
O=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000040386633	183059182	/nfs/dbraw/zinc/05/91/82/183059182.db2.gz	VAEHEFRIJCBYAN-MRVPVSSYSA-N	0	0	316.277	0.783	40	5		DCBBRN
O=c1[nH]cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1	ZINC000001590300	285197005	/nfs/dbraw/zinc/19/70/05/285197005.db2.gz	FJACEYIVAAFHEQ-UHFFFAOYSA-N	0	0	312.263	0.185	40	5		DCBBRN
NC1=NC(=O)C2(COC(c3ccc([N+](=O)[O-])cc3)OC2)S1	ZINC000006606252	295210274	/nfs/dbraw/zinc/21/02/74/295210274.db2.gz	JSRSNAZKMRPEHR-UHFFFAOYSA-N	0	0	309.303	0.967	40	5		DCBBRN
CCCCN1C[C@@]2([N+](=O)[O-])CC=C(C(=O)[O-])[C@@]([N+](=O)[O-])(C1)C2	ZINC000015304005	415148444	/nfs/dbraw/zinc/14/84/44/415148444.db2.gz	QKFINPPWOFXKNK-OLZOCXBDSA-N	0	0	313.310	0.938	40	5		DCBBRN
CC(=O)N1CCN(c2ccc(-n3cnnc3)cc2[N+](=O)[O-])CC1	ZINC000070461864	415404990	/nfs/dbraw/zinc/40/49/90/415404990.db2.gz	CFDDJWMCZGRZFD-UHFFFAOYSA-N	0	0	316.321	0.844	40	5		DCBBRN
O=c1c2ccccc2nc2ccc(N(CCO)CCO)nn12	ZINC000005604832	181262989	/nfs/dbraw/zinc/26/29/89/181262989.db2.gz	GAIDKYONBWOCIR-UHFFFAOYSA-N	0	0	300.318	0.034	40	5		DCBBRN
COC(=O)CN1CCO[C@H](COc2ccc([N+](=O)[O-])cc2)C1	ZINC000217503199	257131602	/nfs/dbraw/zinc/13/16/02/257131602.db2.gz	QNWRPCDNOZXCOY-ZDUSSCGKSA-N	0	0	310.306	0.847	40	5		DCBBRN
Cc1nn(Cc2nc3c4cnnc-4ncn3[nH]2)c(C)c1[N+](=O)[O-]	ZINC000017052319	182070479	/nfs/dbraw/zinc/07/04/79/182070479.db2.gz	CMGKVBYFMCWTJY-UHFFFAOYSA-N	0	0	313.281	0.770	40	5		DCBBRN
Cc1c(CN(C)C(=O)CCn2ccc([N+](=O)[O-])n2)cnn1C	ZINC000002781240	395681949	/nfs/dbraw/zinc/68/19/49/395681949.db2.gz	RWBZLLSFAWONDY-UHFFFAOYSA-N	0	0	306.326	0.882	40	5		DCBBRN
CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N@+]2([O-])CCC[C@@H]12)[C@@H](C)O	ZINC000252693512	416334574	/nfs/dbraw/zinc/33/45/74/416334574.db2.gz	DLNWZIVYKQXLTN-VRUQUDLLSA-N	0	0	301.383	0.794	40	5	biogenic	DCBBRN
COC(=O)C1=C[C@@H](O)[C@H](O)[C@H](Oc2ccc([N+](=O)[O-])cc2)O1	ZINC000005080750	395682567	/nfs/dbraw/zinc/68/25/67/395682567.db2.gz	JJMQZAYOQCSLOO-SUZMYJTESA-N	0	0	311.246	0.109	40	5		DCBBRN
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(CO)C=C[C@@H]2O1	ZINC000226628398	395866707	/nfs/dbraw/zinc/86/67/07/395866707.db2.gz	LKKZWDCIUPUKAE-ASHKBJFXSA-N	0	0	316.269	0.400	40	5		DCBBRN
CN(C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000137260321	395950781	/nfs/dbraw/zinc/95/07/81/395950781.db2.gz	ISDHWAJVGAKXSC-UHFFFAOYSA-N	0	0	301.324	0.449	40	5		DCBBRN
O=C(CCn1cc([N+](=O)[O-])cn1)NCCCN1CCOCC1	ZINC000022239121	182314912	/nfs/dbraw/zinc/31/49/12/182314912.db2.gz	FNVVBTOOZUGLGH-UHFFFAOYSA-N	0	0	311.342	0.020	40	5		DCBBRN
COc1cc([N+](=O)[O-])ccc1NCCN1C[C@H](C(N)=O)CC1=O	ZINC000045958657	183541165	/nfs/dbraw/zinc/54/11/65/183541165.db2.gz	ZYVOGZJZGGDZNK-SECBINFHSA-N	0	0	322.321	0.349	40	5		DCBBRN
C[C@@]1(n2c(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1	ZINC000040166755	289217822	/nfs/dbraw/zinc/21/78/22/289217822.db2.gz	HSNYVIJTXKMMBX-GFCCVEGCSA-N	0	0	311.319	0.772	40	5		DCBBRN
CS(=O)(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)OC[C@H](CO)O1	ZINC000096531671	395754221	/nfs/dbraw/zinc/75/42/21/395754221.db2.gz	LKSAUXOSKQCQIG-NWDGAFQWSA-N	0	0	317.319	0.200	40	5		DCBBRN
CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000575423095	417534675	/nfs/dbraw/zinc/53/46/75/417534675.db2.gz	YACHULVDAIXQQN-QWHCGFSZSA-N	0	0	314.363	0.575	40	5		DCBBRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C=O)CC1	ZINC000408705567	534344740	/nfs/dbraw/zinc/34/47/40/534344740.db2.gz	ISRXNIKCFCPNLA-UHFFFAOYSA-N	0	0	313.335	0.366	40	5		DCBBRN
O=C(CSc1nc[nH]n1)NCCNc1ccc([N+](=O)[O-])cn1	ZINC000020479498	182222294	/nfs/dbraw/zinc/22/22/94/182222294.db2.gz	WOVFGNJLQYCFIX-UHFFFAOYSA-N	0	0	323.338	0.428	40	5		DCBBRN
Cc1nc([N+](=O)[O-])cn1-c1nc(N2CCOCC2)ncc1F	ZINC000006790164	134478567	/nfs/dbraw/zinc/47/85/67/134478567.db2.gz	SIJAJESKAZBRJC-UHFFFAOYSA-N	0	0	308.273	0.855	40	5		DCBBRN
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1	ZINC000001447115	395680809	/nfs/dbraw/zinc/68/08/09/395680809.db2.gz	YXTCWXHQMWQXQG-JTQLQIEISA-N	0	0	307.306	0.572	40	5		DCBBRN
CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575423096	417535458	/nfs/dbraw/zinc/53/54/58/417535458.db2.gz	YACHULVDAIXQQN-STQMWFEESA-N	0	0	314.363	0.575	40	5		DCBBRN
O=[N+]([O-])c1ccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000040167202	280365694	/nfs/dbraw/zinc/36/56/94/280365694.db2.gz	FVORPSABWHZDEJ-NXEZZACHSA-N	0	0	313.360	0.455	40	5		DCBBRN
CCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000409024020	528084137	/nfs/dbraw/zinc/08/41/37/528084137.db2.gz	HCDPXENGWVCYGP-UHFFFAOYSA-N	0	0	301.324	0.497	40	5		DCBBRN
C[C@@H]1O[C@@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000003897429	181054121	/nfs/dbraw/zinc/05/41/21/181054121.db2.gz	OIXCBKIWQLOFTQ-VVBYJNJRSA-N	0	0	318.713	0.488	40	5		DCBBRN
Cn1c2nc3c(nc2c2ccccc2c1=O)c(=O)n(C)c(=O)n3C	ZINC000001618946	395680859	/nfs/dbraw/zinc/68/08/59/395680859.db2.gz	MUDVQYUOBYNPBR-UHFFFAOYSA-N	0	0	323.312	0.032	40	5		DCBBRN
Cc1c([N+](=O)[O-])cnn1CCC(=O)N(C)Cc1ccnn1C	ZINC000002793378	395681904	/nfs/dbraw/zinc/68/19/04/395681904.db2.gz	AJGULBGYIYFWJT-UHFFFAOYSA-N	0	0	306.326	0.882	40	5		DCBBRN
CC(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000035132916	395719114	/nfs/dbraw/zinc/71/91/14/395719114.db2.gz	SHCOVKSOXGYHHA-UHFFFAOYSA-N	0	0	321.742	0.663	40	5		DCBBRN
COc1ccc([N+](=O)[O-])c2c1CCN2C(=O)C[C@H]([NH3+])C(=O)[O-]	ZINC000208215267	1177141371	/nfs/dbraw/zinc/14/13/71/1177141371.db2.gz	ATNVWKDWOLQDKH-QMMMGPOBSA-N	0	0	309.278	0.295	40	5		DCBBRN
Cn1c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2c(=O)n(C)c1=O	ZINC000001674422	282606962	/nfs/dbraw/zinc/60/69/62/282606962.db2.gz	GZKNQJOZTRVLIX-UHFFFAOYSA-N	0	0	301.262	0.536	40	5		DCBBRN
COCCn1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O	ZINC000040398651	183061713	/nfs/dbraw/zinc/06/17/13/183061713.db2.gz	SKXGNBRZQGCOAG-UHFFFAOYSA-N	0	0	314.345	0.555	40	5		DCBBRN
COC(=O)[C@@H](NC(C)=O)[C@@H](OC(C)=O)c1ccccc1[N+](=O)[O-]	ZINC000003040461	291263799	/nfs/dbraw/zinc/26/37/99/291263799.db2.gz	KTSATNYJOVLCHN-STQMWFEESA-N	0	0	324.289	0.877	40	5		DCBBRN
O=CN1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	ZINC000007467622	285029772	/nfs/dbraw/zinc/02/97/72/285029772.db2.gz	GWQWNYKUZYZBBO-UHFFFAOYSA-N	0	0	320.349	0.710	40	5		DCBBRN
O=c1[nH]c2cc([N+](=O)[O-])c(N3CCOCC3)c([N+](=O)[O-])c2[nH]1	ZINC000006444479	285097646	/nfs/dbraw/zinc/09/76/46/285097646.db2.gz	YLWDTJSFARXIHT-UHFFFAOYSA-N	0	0	309.238	0.922	40	5		DCBBRN
Nc1nonc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000013371028	395688537	/nfs/dbraw/zinc/68/85/37/395688537.db2.gz	KETBODBVFPHHKD-UHFFFAOYSA-N	0	0	307.222	0.356	40	5		DCBBRN
CS(=O)(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)OC[C@H](CO)O1	ZINC000096531652	193676501	/nfs/dbraw/zinc/67/65/01/193676501.db2.gz	ZFUYCAYSWLQLOF-NWDGAFQWSA-N	0	0	317.319	0.200	40	5		DCBBRN
CCn1nnc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000057316402	415335975	/nfs/dbraw/zinc/33/59/75/415335975.db2.gz	RDWUXNOEHBGTDE-UHFFFAOYSA-N	0	0	321.322	0.728	40	5		DCBBRN
Cc1ccc(C(=O)NC(=S)Nc2nnn(C)n2)cc1[N+](=O)[O-]	ZINC000057316417	415338742	/nfs/dbraw/zinc/33/87/42/415338742.db2.gz	IXICZVDGSHSCDN-UHFFFAOYSA-N	0	0	321.322	0.554	40	5		DCBBRN
CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N@@+]2([O-])CCC[C@@H]12)[C@H](C)O	ZINC000252693511	416334519	/nfs/dbraw/zinc/33/45/19/416334519.db2.gz	DLNWZIVYKQXLTN-IICXDKKESA-N	0	0	301.383	0.794	40	5	biogenic	DCBBRN
O=C(c1ccccc1)[C@@H]1CN2CN3CN1C[C@@]([N+](=O)[O-])(C3)C2	ZINC000019327611	182115722	/nfs/dbraw/zinc/11/57/22/182115722.db2.gz	XITRGBYWPOZLMP-ZFWWWQNUSA-N	0	0	302.334	0.115	40	5		DCBBRN
COCCCn1ccc2nc3ccn(N)c(=O)c3cc2c1=O	ZINC000040398622	183061404	/nfs/dbraw/zinc/06/14/04/183061404.db2.gz	NRHOBLCCUSKYHG-UHFFFAOYSA-N	0	0	300.318	0.462	40	5		DCBBRN
CC(C)OC(=O)c1nc2ncc(-c3n[nH]cc3[N+](=O)[O-])cn2n1	ZINC000013642404	395688763	/nfs/dbraw/zinc/68/87/63/395688763.db2.gz	NMRQHQACZCKNFX-UHFFFAOYSA-N	0	0	317.265	0.988	40	5		DCBBRN
COC(=O)C1=C[C@H](O)[C@H](O)[C@H](Oc2ccc([N+](=O)[O-])cc2)O1	ZINC000005080749	395682604	/nfs/dbraw/zinc/68/26/04/395682604.db2.gz	JJMQZAYOQCSLOO-XHVZSJERSA-N	0	0	311.246	0.109	40	5		DCBBRN
CN(Cc1ccccc1)c1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C	ZINC000004974809	276994337	/nfs/dbraw/zinc/99/43/37/276994337.db2.gz	WEVVXJBKXNTRSH-UHFFFAOYSA-N	0	0	304.306	0.629	40	5		DCBBRN
O=[N+]([O-])c1ccc(NNCNNc2ccc([N+](=O)[O-])cn2)nc1	ZINC000017302224	182082428	/nfs/dbraw/zinc/08/24/28/182082428.db2.gz	GKEZREJXUBCKTO-UHFFFAOYSA-N	0	0	320.269	0.784	40	5		DCBBRN
CCOc1nc(OCC)nc(OCC(F)([N+](=O)[O-])[N+](=O)[O-])n1	ZINC000019321798	182114921	/nfs/dbraw/zinc/11/49/21/182114921.db2.gz	MTMXTAJKCPSQAO-UHFFFAOYSA-N	0	0	321.221	0.225	40	5		DCBBRN
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C)CC1	ZINC000035264055	395720440	/nfs/dbraw/zinc/72/04/40/395720440.db2.gz	BSHPXMVOKFPSRW-LLVKDONJSA-N	0	0	320.349	0.487	40	5		DCBBRN
O=C1CC(=O)OC(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)O1	ZINC000059488730	415343678	/nfs/dbraw/zinc/34/36/78/415343678.db2.gz	CKRIFIDMFFAQEH-UHFFFAOYSA-N	0	0	322.273	0.920	40	5		DCBBRN
CCc1nnc(Sc2ccc(C(N)=O)cc2[N+](=O)[O-])n1N	ZINC000070462335	190899088	/nfs/dbraw/zinc/89/90/88/190899088.db2.gz	BOPPSNHVDGEKBT-UHFFFAOYSA-N	0	0	308.323	0.713	40	5		DCBBRN
Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N	ZINC000020842378	236850268	/nfs/dbraw/zinc/85/02/68/236850268.db2.gz	HTHWGFWRJMUGHV-UHFFFAOYSA-N	0	0	308.323	0.939	40	5		DCBBRN
O=[N+]([O-])c1cccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000040167125	395732800	/nfs/dbraw/zinc/73/28/00/395732800.db2.gz	BPQDPYBFCMCUPC-NXEZZACHSA-N	0	0	313.360	0.455	40	5		DCBBRN
O=[N+]([O-])c1cc([N+](=O)[O-])c(OC[C@H](O)CO)c([N+](=O)[O-])c1	ZINC000104160993	534880745	/nfs/dbraw/zinc/88/07/45/534880745.db2.gz	LEEUBRSBSFSCOR-ZCFIWIBFSA-N	0	0	303.183	0.143	40	5		DCBBRN
CN1CCN(c2c([N+](=O)[O-])cc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000026508738	282966427	/nfs/dbraw/zinc/96/64/27/282966427.db2.gz	GKGCMMMSOBJHDA-UHFFFAOYSA-N	0	0	309.282	0.354	40	5		DCBBRN
COC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1C(=O)OC	ZINC000016189900	182036264	/nfs/dbraw/zinc/03/62/64/182036264.db2.gz	NAOYQRGLNLIHJN-UHFFFAOYSA-N	0	0	306.234	0.749	40	5		DCBBRN
Nc1ncnc2c1ncn2S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000019142033	182105881	/nfs/dbraw/zinc/10/58/81/182105881.db2.gz	YYRZWRZFXQXUCS-UHFFFAOYSA-N	0	0	320.290	0.554	40	5		DCBBRN
Cn1cc(CN2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)cn1	ZINC000036611094	182827619	/nfs/dbraw/zinc/82/76/19/182827619.db2.gz	WDPGXEWYLPJOKL-UHFFFAOYSA-N	0	0	319.325	0.009	40	5		DCBBRN
COC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000110284441	395801123	/nfs/dbraw/zinc/80/11/23/395801123.db2.gz	OAQQFORKUCQDQK-WEVVVXLNSA-N	0	0	321.245	0.366	40	5		DCBBRN
O=[N+]([O-])c1ccc(CN(CCO)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000072970306	396140046	/nfs/dbraw/zinc/14/00/46/396140046.db2.gz	HAFDPEZRIRARSF-ZDUSSCGKSA-N	0	0	314.363	0.576	40	5		DCBBRN
O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@@]1(CO)C=C[C@@H]2O1	ZINC000169616403	416025781	/nfs/dbraw/zinc/02/57/81/416025781.db2.gz	RAYRYKXJKVRUSN-ASHKBJFXSA-N	0	0	316.269	0.400	40	5		DCBBRN
O=C(NCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000409052664	534364071	/nfs/dbraw/zinc/36/40/71/534364071.db2.gz	JBQQCBPWMWBFAO-UHFFFAOYSA-N	0	0	321.333	0.556	40	5		DCBBRN
COC(=O)C1=C[C@H](O)[C@@H](O)[C@H](Oc2ccc([N+](=O)[O-])cc2)O1	ZINC000005080751	395682676	/nfs/dbraw/zinc/68/26/76/395682676.db2.gz	JJMQZAYOQCSLOO-UFGOTCBOSA-N	0	0	311.246	0.109	40	5		DCBBRN
Cc1cc(=O)nc2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n21	ZINC000003196125	280305984	/nfs/dbraw/zinc/30/59/84/280305984.db2.gz	QMWGKHWDNYIYRE-XFFZJAGNSA-N	0	0	315.310	0.881	40	5		DCBBRN
O=c1[nH]c2ccc([N+](=O)[O-])cc2n1C[C@H]1CCS(=O)(=O)C1	ZINC000040166763	183042390	/nfs/dbraw/zinc/04/23/90/183042390.db2.gz	KESPXRPSTVWZLS-MRVPVSSYSA-N	0	0	311.319	0.673	40	5		DCBBRN
CCc1nn2c(nc(Cn3cnc([N+](=O)[O-])n3)cc2=O)s1	ZINC000041077917	183164235	/nfs/dbraw/zinc/16/42/35/183164235.db2.gz	ZBRNFFFSYSGQDU-UHFFFAOYSA-N	0	0	307.295	0.261	40	5		DCBBRN
Cc1nn(C)c(C(=O)NCCCN2CCCC2=O)c1[N+](=O)[O-]	ZINC000002781759	395681953	/nfs/dbraw/zinc/68/19/53/395681953.db2.gz	KGYZDVYVLYPJEN-UHFFFAOYSA-N	0	0	309.326	0.379	40	5		DCBBRN
CC1=C(C(N)=O)C(c2cccc([N+](=O)[O-])c2)C(C(N)=O)=C(C)N1	ZINC000019418608	415153899	/nfs/dbraw/zinc/15/38/99/415153899.db2.gz	YQBCYYIUYZZDOS-UHFFFAOYSA-N	0	0	316.317	0.800	40	5		DCBBRN
C[C@H]1O[C@@H](Sc2ccccc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O	ZINC000004763110	291241124	/nfs/dbraw/zinc/24/11/24/291241124.db2.gz	XVVUGNDGMVOWSK-UOEMKBBDSA-N	0	0	301.320	0.514	40	5		DCBBRN
Cn1cnc([N+](=O)[O-])c1Sc1ccncc1S(N)(=O)=O	ZINC000006198816	181318391	/nfs/dbraw/zinc/31/83/91/181318391.db2.gz	OBOZOHHRRSLGOD-UHFFFAOYSA-N	0	0	315.336	0.522	40	5		DCBBRN
Cc1c(NC(=O)CN(C)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000022606662	182327883	/nfs/dbraw/zinc/32/78/83/182327883.db2.gz	LBYALCNWBUXPKG-UHFFFAOYSA-N	0	0	301.324	0.733	40	5		DCBBRN
COC(=O)CN1C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000408548057	533501693	/nfs/dbraw/zinc/50/16/93/533501693.db2.gz	CMDGEPHXNRJCCA-UXBLZVDNSA-N	0	0	305.246	0.661	40	5		DCBBRN
CCCCN1C[C@]2([N+](=O)[O-])CC=C(C(=O)[O-])[C@]([N+](=O)[O-])(C1)C2	ZINC000004614389	415130888	/nfs/dbraw/zinc/13/08/88/415130888.db2.gz	QKFINPPWOFXKNK-QWHCGFSZSA-N	0	0	313.310	0.938	40	5		DCBBRN
CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575420765	417536082	/nfs/dbraw/zinc/53/60/82/417536082.db2.gz	KLPAAPGXVUILPI-NEPJUHHUSA-N	0	0	300.336	0.185	40	5		DCBBRN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNCC2)cc1Cl	ZINC000015442728	182002223	/nfs/dbraw/zinc/00/22/23/182002223.db2.gz	OQMOBVXDUNKVFT-UHFFFAOYSA-N	0	0	305.743	0.842	40	5		DCBBRN
COc1cc([N+](=O)[O-])ccc1NCCN1C[C@@H](C(N)=O)CC1=O	ZINC000045958659	395769305	/nfs/dbraw/zinc/76/93/05/395769305.db2.gz	ZYVOGZJZGGDZNK-VIFPVBQESA-N	0	0	322.321	0.349	40	5		DCBBRN
Cn1c2[nH]c(-c3ccccc3[N+](=O)[O-])nc2c(=O)n(C)c1=O	ZINC000001556746	294192339	/nfs/dbraw/zinc/19/23/39/294192339.db2.gz	KNYQVLUUOXITIT-UHFFFAOYSA-N	0	0	301.262	0.536	40	5		DCBBRN
CCCC(=O)N1CN2CN(C(=O)CCC)CC([N+](=O)[O-])(C2)C1	ZINC000026803185	395694612	/nfs/dbraw/zinc/69/46/12/395694612.db2.gz	PFQSHCGEUAEHGI-UHFFFAOYSA-N	0	0	312.370	0.504	40	5		DCBBRN
CS(=O)(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)OC[C@@H](CO)O1	ZINC000096531675	395754356	/nfs/dbraw/zinc/75/43/56/395754356.db2.gz	LKSAUXOSKQCQIG-VXGBXAGGSA-N	0	0	317.319	0.200	40	5		DCBBRN
CCn1ccc2nc3ccn(-c4nc[nH]n4)c(=O)c3cc2c1=O	ZINC000040372865	415196547	/nfs/dbraw/zinc/19/65/47/415196547.db2.gz	DNZKLCWDKXMUAK-UHFFFAOYSA-N	0	0	308.301	0.839	40	5		DCBBRN
Cn1cc(CNC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)cn1	ZINC000002776803	180955124	/nfs/dbraw/zinc/95/51/24/180955124.db2.gz	LUTGRAUIXAINAH-UHFFFAOYSA-N	0	0	312.717	0.885	40	5		DCBBRN
C[C@H]1O[C@@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000003897428	181054501	/nfs/dbraw/zinc/05/45/01/181054501.db2.gz	OIXCBKIWQLOFTQ-FSVXGXJESA-N	0	0	318.713	0.488	40	5		DCBBRN
COC(=O)c1cnc(NCCN2CCOCC2)c([N+](=O)[O-])c1	ZINC000039956580	183024432	/nfs/dbraw/zinc/02/44/32/183024432.db2.gz	HLRYXKZSCWWVLY-UHFFFAOYSA-N	0	0	310.310	0.521	40	5		DCBBRN
CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000575423091	417534323	/nfs/dbraw/zinc/53/43/23/417534323.db2.gz	YACHULVDAIXQQN-CHWSQXEVSA-N	0	0	314.363	0.575	40	5		DCBBRN
NC(=O)c1nn2cc(-c3n[nH]cc3[N+](=O)[O-])cnc2c1Cl	ZINC000013642389	295198757	/nfs/dbraw/zinc/19/87/57/295198757.db2.gz	SIINTBOUPVWWDR-UHFFFAOYSA-N	0	0	307.657	0.780	40	5		DCBBRN
Cc1nn(-c2ccccc2)c(N(CCO)CCO)c1[N+](=O)[O-]	ZINC000005530913	181254737	/nfs/dbraw/zinc/25/47/37/181254737.db2.gz	YMQGLOAMOYVEFW-UHFFFAOYSA-N	0	0	306.322	0.880	40	5		DCBBRN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCNCC2)ccc1Cl	ZINC000020006560	395691164	/nfs/dbraw/zinc/69/11/64/395691164.db2.gz	OBPLGBFOVZTVKW-UHFFFAOYSA-N	0	0	305.743	0.842	40	5		DCBBRN
COC(=O)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC	ZINC000002391856	395681541	/nfs/dbraw/zinc/68/15/41/395681541.db2.gz	GCKWEXSWALQJCS-NSHDSACASA-N	0	0	324.289	0.819	40	5		DCBBRN
O=[N+]([O-])c1ccc(NC(=S)NCCN2CCOCC2)nc1	ZINC000223891197	395857531	/nfs/dbraw/zinc/85/75/31/395857531.db2.gz	RNBGNEZFXLTLOF-UHFFFAOYSA-N	0	0	311.367	0.608	40	5		DCBBRN
CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000575420768	417534495	/nfs/dbraw/zinc/53/44/95/417534495.db2.gz	KLPAAPGXVUILPI-VXGBXAGGSA-N	0	0	300.336	0.185	40	5		DCBBRN
O=[N+]([O-])c1cccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000040167123	285157081	/nfs/dbraw/zinc/15/70/81/285157081.db2.gz	BPQDPYBFCMCUPC-UWVGGRQHSA-N	0	0	313.360	0.455	40	5		DCBBRN
CCNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000010332615	395686124	/nfs/dbraw/zinc/68/61/24/395686124.db2.gz	FOLHVFBWZINISB-UHFFFAOYSA-N	0	0	315.351	0.805	40	5		DCBBRN
O=[N+]([O-])c1cc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)ccc1Cl	ZINC000001514638	395681013	/nfs/dbraw/zinc/68/10/13/395681013.db2.gz	NGWUZGSHJOZWRB-GWOFURMSSA-N	0	0	304.686	0.099	40	5		DCBBRN
O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@]2(CO)O1	ZINC000033911799	395717479	/nfs/dbraw/zinc/71/74/79/395717479.db2.gz	LKKZWDCIUPUKAE-MCYUEQNJSA-N	0	0	316.269	0.400	40	5		DCBBRN
COc1ccc2c(c1)nc1ccc(N(C)CCO)nn1c2=O	ZINC000005509835	181251357	/nfs/dbraw/zinc/25/13/57/181251357.db2.gz	LOMFFYNUACGTRM-UHFFFAOYSA-N	0	0	300.318	0.680	40	5		DCBBRN
CC1([N+](=O)[O-])COP(=O)(NCCCN2CCOCC2)OC1	ZINC000031670195	182620022	/nfs/dbraw/zinc/62/00/22/182620022.db2.gz	BBFOMNQPDFFACI-UHFFFAOYSA-N	0	0	323.286	0.489	40	5		DCBBRN
C[C@H]1O[C@@H](Sc2ccccc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000004763118	415128078	/nfs/dbraw/zinc/12/80/78/415128078.db2.gz	XVVUGNDGMVOWSK-FDMIMSKNSA-N	0	0	301.320	0.514	40	5		DCBBRN
C[NH2+][C@H](CC(=O)N1CCc2c1c([N+](=O)[O-])ccc2OC)C(=O)[O-]	ZINC000044672343	415223650	/nfs/dbraw/zinc/22/36/50/415223650.db2.gz	MUCRWOILMOHLGD-SECBINFHSA-N	0	0	323.305	0.555	40	5	in-vitro	DCBBRN
CS(=O)(=O)N(CC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1	ZINC000197606938	545934849	/nfs/dbraw/zinc/93/48/49/545934849.db2.gz	VNEXJFACIWJPJS-UHFFFAOYSA-N	0	0	313.335	0.639	40	5		DCBBRN
O=C1CN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1	ZINC000037326143	527006618	/nfs/dbraw/zinc/00/66/18/527006618.db2.gz	SPCNBWRGLJUOTE-UHFFFAOYSA-N	0	0	319.726	0.369	40	5		DCBBRN
CCn1cc(CN(C)C(=O)Cn2cc([N+](=O)[O-])c(C)n2)cn1	ZINC000002778125	395681772	/nfs/dbraw/zinc/68/17/72/395681772.db2.gz	SQQKTXYOTCKDDV-UHFFFAOYSA-N	0	0	306.326	0.975	40	5		DCBBRN
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C)CC1	ZINC000035264054	395720227	/nfs/dbraw/zinc/72/02/27/395720227.db2.gz	BSHPXMVOKFPSRW-NSHDSACASA-N	0	0	320.349	0.487	40	5		DCBBRN
O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@H]1C=C[C@@]2(CO)O1	ZINC000226628391	395866673	/nfs/dbraw/zinc/86/66/73/395866673.db2.gz	LKKZWDCIUPUKAE-OXIQGZBJSA-N	0	0	316.269	0.400	40	5		DCBBRN
CS(=O)(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)OC[C@H](CO)O1	ZINC000096531669	395754330	/nfs/dbraw/zinc/75/43/30/395754330.db2.gz	LKSAUXOSKQCQIG-RYUDHWBXSA-N	0	0	317.319	0.200	40	5		DCBBRN
O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)NCC1CC1	ZINC000001360658	180856547	/nfs/dbraw/zinc/85/65/47/180856547.db2.gz	KSYVDZFGYMZUJL-UHFFFAOYSA-N	0	0	302.294	0.775	40	5		DCBBRN
COC(=O)[C@@H](NC(C)=O)[C@H](OC(C)=O)c1ccccc1[N+](=O)[O-]	ZINC000003040458	291263759	/nfs/dbraw/zinc/26/37/59/291263759.db2.gz	KTSATNYJOVLCHN-QWHCGFSZSA-N	0	0	324.289	0.877	40	5		DCBBRN
O=[N+]([O-])c1ccc(N[C@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])c1	ZINC000012139529	395687038	/nfs/dbraw/zinc/68/70/38/395687038.db2.gz	NOWXTBJKXVUEJR-WCBMZHEXSA-N	0	0	317.279	0.073	40	5		DCBBRN
CS(=O)(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)OC[C@H](CO)O1	ZINC000096531650	395754143	/nfs/dbraw/zinc/75/41/43/395754143.db2.gz	ZFUYCAYSWLQLOF-RYUDHWBXSA-N	0	0	317.319	0.200	40	5		DCBBRN
O=C1N=c2ccc(F)cc2=C1NNc1ccccc1[N+](=O)[O-]	ZINC000104031135	395776970	/nfs/dbraw/zinc/77/69/70/395776970.db2.gz	NGWCSNFPTHVXLW-UHFFFAOYSA-N	0	0	300.249	0.619	40	5		DCBBRN
Cn1nnc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1	ZINC000009064368	415144938	/nfs/dbraw/zinc/14/49/38/415144938.db2.gz	GZKVXIOVUMHALY-UHFFFAOYSA-N	0	0	317.309	0.971	40	5		DCBBRN
NC(=O)/C=C\c1cc([N+](=O)[O-])ccc1N1CCC(C(N)=O)CC1	ZINC000083317953	415489548	/nfs/dbraw/zinc/48/95/48/415489548.db2.gz	UYCRHWKBWDWRGS-RJRFIUFISA-N	0	0	318.333	0.795	40	5		DCBBRN
CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N@@+]2([O-])CCC[C@@H]12)[C@@H](C)O	ZINC000252693510	416334554	/nfs/dbraw/zinc/33/45/54/416334554.db2.gz	DLNWZIVYKQXLTN-FDICVXPISA-N	0	0	301.383	0.794	40	5	biogenic	DCBBRN
NC(=O)c1ccc(Sc2nc(N)cc(=O)[nH]2)c([N+](=O)[O-])c1	ZINC000016384434	545643256	/nfs/dbraw/zinc/64/32/56/545643256.db2.gz	YSJVULZBBVKSIJ-UHFFFAOYSA-N	0	0	307.291	0.510	40	5		DCBBRN
CCOC(=O)C1=C(C)N(N)C(=O)N[C@H]1c1ccc([N+](=O)[O-])o1	ZINC000408731058	528615874	/nfs/dbraw/zinc/61/58/74/528615874.db2.gz	KESXOGSZLYFDRL-JTQLQIEISA-N	0	0	310.266	0.965	40	5		DCBBRN
NC(=O)c1ccc(Sc2nc(N)cc(N)n2)c([N+](=O)[O-])c1	ZINC000016384431	182043553	/nfs/dbraw/zinc/04/35/53/182043553.db2.gz	KVDSOVZZOMRANP-UHFFFAOYSA-N	0	0	306.307	0.799	40	5		DCBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)S(C)(=O)=O	ZINC000022606658	182327908	/nfs/dbraw/zinc/32/79/08/182327908.db2.gz	UTVDFQSTSDTQEN-UHFFFAOYSA-N	0	0	301.324	0.733	40	5		DCBBRN
Cn1nc([N+](=O)[O-])nc1N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000015414924	303044555	/nfs/dbraw/zinc/04/45/55/303044555.db2.gz	JEDVNCJILNDFJP-VHSXEESVSA-N	0	0	316.321	0.509	40	5		DCBBRN
COC(=O)CN1C(=O)N/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C1=O	ZINC000408549001	533501770	/nfs/dbraw/zinc/50/17/70/533501770.db2.gz	PEKBRTATMCWIPN-BJMVGYQFSA-N	0	0	319.273	0.969	40	5		DCBBRN
COC(=O)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC	ZINC000001723524	395681082	/nfs/dbraw/zinc/68/10/82/395681082.db2.gz	GCKWEXSWALQJCS-LLVKDONJSA-N	0	0	324.289	0.819	40	5		DCBBRN
C[NH+]1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000013648332	415150130	/nfs/dbraw/zinc/15/01/30/415150130.db2.gz	SIWNCFNJMQMPJD-UHFFFAOYSA-N	0	0	306.366	0.962	40	5		DCBBRN
O=[N+]([O-])c1n[nH]nc1-c1cnn(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000016429869	331567029	/nfs/dbraw/zinc/56/70/29/331567029.db2.gz	UKVITDPJRJCUJZ-UHFFFAOYSA-N	0	0	302.210	0.869	40	5		DCBBRN
NC(=S)NNc1c(=O)n(-c2ccccc2)ncc1[N+](=O)[O-]	ZINC000005809898	181285699	/nfs/dbraw/zinc/28/56/99/181285699.db2.gz	AVBJPJPGRCYLFL-UHFFFAOYSA-N	0	0	306.307	0.301	40	5		DCBBRN
O=c1[nH]c2ccc([N+](=O)[O-])cc2n1C[C@@H]1CCS(=O)(=O)C1	ZINC000040166762	183042905	/nfs/dbraw/zinc/04/29/05/183042905.db2.gz	KESPXRPSTVWZLS-QMMMGPOBSA-N	0	0	311.319	0.673	40	5		DCBBRN
Nc1nonc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000002568476	180935797	/nfs/dbraw/zinc/93/57/97/180935797.db2.gz	UUZMJCZAZAVJEN-UHFFFAOYSA-N	0	0	307.222	0.356	40	5		DCBBRN
Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000007344493	181455761	/nfs/dbraw/zinc/45/57/61/181455761.db2.gz	GSSCOWUGNVVODL-UHFFFAOYSA-N	0	0	316.277	0.908	40	5		DCBBRN
O=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000040386630	183059366	/nfs/dbraw/zinc/05/93/66/183059366.db2.gz	DVNBCEQOQIYTJZ-MRVPVSSYSA-N	0	0	316.277	0.783	40	5		DCBBRN
COc1ccc(NC(=O)CN2CCN(C)CC2)c([N+](=O)[O-])c1	ZINC000014152846	395689215	/nfs/dbraw/zinc/68/92/15/395689215.db2.gz	PFRVIHULWSSPHT-UHFFFAOYSA-N	0	0	308.338	0.789	40	5		DCBBRN
O=[N+]([O-])c1cc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)ccc1Cl	ZINC000003897399	181054131	/nfs/dbraw/zinc/05/41/31/181054131.db2.gz	NGWUZGSHJOZWRB-ZNSHCXBVSA-N	0	0	304.686	0.099	40	5		DCBBRN
Nn1ccc2nc3ccn(Cc4ccncc4)c(=O)c3cc2c1=O	ZINC000040398642	183061248	/nfs/dbraw/zinc/06/12/48/183061248.db2.gz	CMYUPXVISLPRDH-UHFFFAOYSA-N	0	0	319.324	0.869	40	5		DCBBRN
Cn1ncc2c1nc(-c1ccc([N+](=O)[O-])o1)nc2N(N)CCO	ZINC000001674782	395681114	/nfs/dbraw/zinc/68/11/14/395681114.db2.gz	IMHHGFOVFPDOAZ-UHFFFAOYSA-N	0	0	319.281	0.204	40	5		DCBBRN
O=[N+]([O-])c1ccccc1N1C(=S)N[C@H]2CS(=O)(=O)C[C@H]21	ZINC000040167156	415194718	/nfs/dbraw/zinc/19/47/18/415194718.db2.gz	VILMUVXGZSXRGQ-OIBJUYFYSA-N	0	0	313.360	0.455	40	5		DCBBRN
C[C@@H]1O[C@@H](Sc2ccccc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000004763121	278064834	/nfs/dbraw/zinc/06/48/34/278064834.db2.gz	XVVUGNDGMVOWSK-UHUARQJVSA-N	0	0	301.320	0.514	40	5		DCBBRN