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(CN(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1F	ZINC000253392389	455837240	/nfs/dbraw/zinc/83/72/40/455837240.db2.gz	QDYXYKOKZXEUAE-ZIAGYGMSSA-N	0	1	340.420	3.220	40	5		EGBBMN
O=[N+]([O-])c1ccccc1-c1n[nH]c(-c2ccc(Br)o2)n1	ZINC000034925937	285159441	/nfs/dbraw/zinc/15/94/41/285159441.db2.gz	VJQFGSTUCORIQX-UHFFFAOYSA-N	0	1	335.117	3.402	40	5		EGBBMN
Cc1c(CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-]	ZINC000096490849	454368586	/nfs/dbraw/zinc/36/85/86/454368586.db2.gz	FMXDVHCPBQDURV-ZDUSSCGKSA-N	0	1	348.424	3.158	40	5		EGBBMN
CCCc1nc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n[nH]1	ZINC000031850315	453856308	/nfs/dbraw/zinc/85/63/08/453856308.db2.gz	YTRJLYKDLHKLDW-UHFFFAOYSA-N	0	1	346.372	3.008	40	5		EGBBMN
CCCc1n[nH]c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1	ZINC000031850315	453856313	/nfs/dbraw/zinc/85/63/13/453856313.db2.gz	YTRJLYKDLHKLDW-UHFFFAOYSA-N	0	1	346.372	3.008	40	5		EGBBMN
N=C(Nc1ncccc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1	ZINC000225244739	456075655	/nfs/dbraw/zinc/07/56/55/456075655.db2.gz	SVKFPXBGEFYWAA-UHFFFAOYSA-N	0	1	339.399	3.291	40	5		EGBBMN
Cc1cccc(N2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)c1	ZINC000036394281	132392256	/nfs/dbraw/zinc/39/22/56/132392256.db2.gz	FBOGCYDIRPCVTJ-UHFFFAOYSA-N	0	1	341.411	3.104	40	5		EGBBMN
C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1F	ZINC000040070001	202167104	/nfs/dbraw/zinc/16/71/04/202167104.db2.gz	ACUNJSOLSCWHMF-SECBINFHSA-N	0	1	328.303	3.101	40	5		EGBBMN
CN(C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccsc1	ZINC000024741422	453743911	/nfs/dbraw/zinc/74/39/11/453743911.db2.gz	QFJVILAPEHLHPU-AWEZNQCLSA-N	0	1	334.401	3.081	40	5		EGBBMN
Cc1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-]	ZINC000029483387	453829116	/nfs/dbraw/zinc/82/91/16/453829116.db2.gz	NSLZWHZCNWJSSC-QGZVFWFLSA-N	0	1	339.395	3.461	40	5		EGBBMN
CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21	ZINC000029483335	453829181	/nfs/dbraw/zinc/82/91/81/453829181.db2.gz	QZVMQWSYWNLIBP-QGZVFWFLSA-N	0	1	325.368	3.153	40	5		EGBBMN
O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3O)n[nH]2)cc1	ZINC000005731329	527354216	/nfs/dbraw/zinc/35/42/16/527354216.db2.gz	KMIIYKQCOKKASY-UHFFFAOYSA-N	0	1	328.353	3.378	40	5		EGBBMN
CCOc1cc(-c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)ccc1OC	ZINC000085385015	257701947	/nfs/dbraw/zinc/70/19/47/257701947.db2.gz	AZWUOZUYOBOBOC-UHFFFAOYSA-N	0	1	340.339	3.454	40	5		EGBBMN
CCc1nnc(SCc2ccc(Br)c([N+](=O)[O-])c2)[nH]1	ZINC000193309892	201055092	/nfs/dbraw/zinc/05/50/92/201055092.db2.gz	ZMIVQHJTKCFTME-UHFFFAOYSA-N	0	1	343.206	3.330	40	5		EGBBMN
CCc1n[nH]c(SCc2ccc(Br)c([N+](=O)[O-])c2)n1	ZINC000193309892	201055095	/nfs/dbraw/zinc/05/50/95/201055095.db2.gz	ZMIVQHJTKCFTME-UHFFFAOYSA-N	0	1	343.206	3.330	40	5		EGBBMN
CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21	ZINC000027360139	453815566	/nfs/dbraw/zinc/81/55/66/453815566.db2.gz	YZLRERUSZVLQOL-KRWDZBQOSA-N	0	1	339.395	3.203	40	5		EGBBMN
CCOc1cc(-c2n[nH]c(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OC	ZINC000085385026	454025036	/nfs/dbraw/zinc/02/50/36/454025036.db2.gz	BAVDJIOYNSQXIP-UHFFFAOYSA-N	0	1	340.339	3.454	40	5		EGBBMN
Cc1ccsc1CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C	ZINC000058157843	454166003	/nfs/dbraw/zinc/16/60/03/454166003.db2.gz	JRJPASVESFEJDN-UHFFFAOYSA-N	0	1	347.440	3.474	40	5		EGBBMN
O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(OC3CCCCC3)CC2)c1	ZINC000096483415	454365119	/nfs/dbraw/zinc/36/51/19/454365119.db2.gz	MIKYGZVTHHPOLW-IBGZPJMESA-N	0	1	348.443	3.442	40	5		EGBBMN
O=C(Oc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1O	ZINC000001704548	1424787588	/nfs/dbraw/zinc/78/75/88/1424787588.db2.gz	FTNNAMHFVHLJNY-UHFFFAOYSA-N	0	1	338.113	3.282	40	5		EGBBMN
CCOC(=O)c1c(O)c2c(ccc3cc4ccccc4cc23)n1C(C)=O	ZINC000096169040	1424787855	/nfs/dbraw/zinc/78/78/55/1424787855.db2.gz	KJJIJAASDWFDIC-LJQANCHMSA-N	0	1	347.370	3.474	40	5		EGBBMN
CCc1nnc(SCc2ccc([N+](=O)[O-])cc2Br)[nH]1	ZINC000073639583	454462165	/nfs/dbraw/zinc/46/21/65/454462165.db2.gz	CFECAYJYZMEARY-UHFFFAOYSA-N	0	1	343.206	3.330	40	5		EGBBMN
CCc1n[nH]c(SCc2ccc([N+](=O)[O-])cc2Br)n1	ZINC000073639583	454462170	/nfs/dbraw/zinc/46/21/70/454462170.db2.gz	CFECAYJYZMEARY-UHFFFAOYSA-N	0	1	343.206	3.330	40	5		EGBBMN
COc1ccc(-c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)cc1OC	ZINC000062718903	454385686	/nfs/dbraw/zinc/38/56/86/454385686.db2.gz	FGMBWCFFAXJEGP-UHFFFAOYSA-N	0	1	326.312	3.064	40	5		EGBBMN
CC(C)c1n[nH]c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1	ZINC000079936467	217265986	/nfs/dbraw/zinc/26/59/86/217265986.db2.gz	PEKFYARZZBEMGS-UHFFFAOYSA-N	0	1	343.265	3.107	40	5		EGBBMN
CC(C)c1nc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1	ZINC000079936467	217265989	/nfs/dbraw/zinc/26/59/89/217265989.db2.gz	PEKFYARZZBEMGS-UHFFFAOYSA-N	0	1	343.265	3.107	40	5		EGBBMN
O=C(Nc1ccc(COCc2ccccc2)cc1)[C@H]1C[C@H]1[N+](=O)[O-]	ZINC000096423312	454338009	/nfs/dbraw/zinc/33/80/09/454338009.db2.gz	MUTRBBFDCCHJKD-DLBZAZTESA-N	0	1	326.352	3.007	40	5		EGBBMN
O=[N+]([O-])c1ccccc1-c1nc(-c2cncc(Br)c2)n[nH]1	ZINC000034925932	453921978	/nfs/dbraw/zinc/92/19/78/453921978.db2.gz	SEMSMVUEADEUEW-UHFFFAOYSA-N	0	1	346.144	3.204	40	5		EGBBMN
CCN(Cc1ccoc1)C(=O)c1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1	ZINC000097373376	454434811	/nfs/dbraw/zinc/43/48/11/454434811.db2.gz	DBFDPZBTNOLSNK-UHFFFAOYSA-N	0	1	340.339	3.240	40	5		EGBBMN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)ccc1C	ZINC000007052316	1424788105	/nfs/dbraw/zinc/78/81/05/1424788105.db2.gz	QZYKTHHDCJRJOD-UHFFFAOYSA-N	0	1	336.369	3.021	40	5		EGBBMN
Cc1ncc(CN2CC[C@H](Nc3ncccc3[N+](=O)[O-])[C@@H](C)C2)s1	ZINC000110613676	220049335	/nfs/dbraw/zinc/04/93/35/220049335.db2.gz	BYGYOTMXIRAUOE-FZMZJTMJSA-N	0	1	347.444	3.077	40	5		EGBBMN
O=[N+]([O-])c1cccc([C@@H](O)CSc2nc(-c3cccs3)n[nH]2)c1	ZINC000095432525	218374281	/nfs/dbraw/zinc/37/42/81/218374281.db2.gz	CDKXNRXNOBIEML-NSHDSACASA-N	0	1	348.409	3.267	40	5		EGBBMN
COc1ccc(NCCc2nnc(-c3cccc([N+](=O)[O-])c3)[nH]2)cc1	ZINC000062719281	454386364	/nfs/dbraw/zinc/38/63/64/454386364.db2.gz	HYFSQDNGNNHOTH-UHFFFAOYSA-N	0	1	339.355	3.043	40	5		EGBBMN
CN(C)[C@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccsc1	ZINC000025810633	453787212	/nfs/dbraw/zinc/78/72/12/453787212.db2.gz	WPUDLXIGMKQMFF-FYCOFBDGSA-N	0	1	345.424	3.089	40	5		EGBBMN
Cc1nc(CN(C)c2cc(C)ncn2)[nH]c1-c1cccc([N+](=O)[O-])c1	ZINC000096490094	454368377	/nfs/dbraw/zinc/36/83/77/454368377.db2.gz	IHAFBVMVGTVUIV-UHFFFAOYSA-N	0	1	338.371	3.028	40	5		EGBBMN
Cc1nc(CN(C)c2nccc(C)n2)[nH]c1-c1cccc([N+](=O)[O-])c1	ZINC000096490092	454368864	/nfs/dbraw/zinc/36/88/64/454368864.db2.gz	MBWBIKQLBLMETF-UHFFFAOYSA-N	0	1	338.371	3.028	40	5		EGBBMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)c1	ZINC000194654512	455868835	/nfs/dbraw/zinc/86/88/35/455868835.db2.gz	GWVHSUXIUWOGFK-UHFFFAOYSA-N	0	1	345.336	3.051	40	5		EGBBMN
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccco2)n[nH]1	ZINC000408581619	457582406	/nfs/dbraw/zinc/58/24/06/457582406.db2.gz	JRDWMWCQGBMSMS-UHFFFAOYSA-N	0	1	330.325	3.327	40	5		EGBBMN
CCN1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)c2ccccc21	ZINC000409109860	1424787670	/nfs/dbraw/zinc/78/76/70/1424787670.db2.gz	MWMHDAWAOZAHTF-JYRVWZFOSA-N	0	1	340.335	3.216	40	5		EGBBMN
O=[N+]([O-])c1ccc(NN=c2nc[nH]c3c2cnn3-c2ccccc2)cc1	ZINC000006535767	452950710	/nfs/dbraw/zinc/95/07/10/452950710.db2.gz	QXWIQNRBOGPRQA-UHFFFAOYSA-N	0	1	347.338	3.163	40	5		EGBBMN
Cc1ncc(CN2CC[C@H](Nc3ncccc3[N+](=O)[O-])[C@H](C)C2)s1	ZINC000096419450	454335420	/nfs/dbraw/zinc/33/54/20/454335420.db2.gz	BYGYOTMXIRAUOE-RISCZKNCSA-N	0	1	347.444	3.077	40	5		EGBBMN
CCCC(O)=C(CC)C(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000019863852	212077912	/nfs/dbraw/zinc/07/79/12/212077912.db2.gz	OJNRAHDZFITYIB-CQSZACIVSA-N	0	1	334.372	3.278	40	5		EGBBMN
COc1ccccc1C(C)(C)NCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000078440882	217052957	/nfs/dbraw/zinc/05/29/57/217052957.db2.gz	BFJMNCBGDFXTJJ-UHFFFAOYSA-N	0	1	343.383	3.067	40	5		EGBBMN
COc1ccc(-c2n[nH]c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC	ZINC000000497007	452608717	/nfs/dbraw/zinc/60/87/17/452608717.db2.gz	LWOREKYVLBREEV-UHFFFAOYSA-N	0	1	326.312	3.064	40	5		EGBBMN
Cc1ccc2nc(Sc3ccc(C(N)=O)cc3[N+](=O)[O-])[nH]c2c1	ZINC000007327843	453059914	/nfs/dbraw/zinc/05/99/14/453059914.db2.gz	JZCVDNOOGABGDA-UHFFFAOYSA-N	0	1	328.353	3.030	40	5		EGBBMN
CN(C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccsc1	ZINC000024741425	453743871	/nfs/dbraw/zinc/74/38/71/453743871.db2.gz	QFJVILAPEHLHPU-CQSZACIVSA-N	0	1	334.401	3.081	40	5		EGBBMN
O=C(Nc1ccc(COCc2ccccc2)cc1)[C@@H]1C[C@@H]1[N+](=O)[O-]	ZINC000096423309	454337574	/nfs/dbraw/zinc/33/75/74/454337574.db2.gz	MUTRBBFDCCHJKD-SJORKVTESA-N	0	1	326.352	3.007	40	5		EGBBMN
O=[N+]([O-])c1ccc(-c2nnc(CCNc3ccc(F)cc3)[nH]2)cc1	ZINC000062719005	454386387	/nfs/dbraw/zinc/38/63/87/454386387.db2.gz	ISHNZTULVLCTNO-UHFFFAOYSA-N	0	1	327.319	3.174	40	5		EGBBMN
Cc1nnc(SCc2ccc([N+](=O)[O-])cc2Br)[nH]1	ZINC000073639581	454462524	/nfs/dbraw/zinc/46/25/24/454462524.db2.gz	ZFRPWHIPUUXESZ-UHFFFAOYSA-N	0	1	329.179	3.076	40	5		EGBBMN
Cc1n[nH]c(SCc2ccc([N+](=O)[O-])cc2Br)n1	ZINC000073639581	454462530	/nfs/dbraw/zinc/46/25/30/454462530.db2.gz	ZFRPWHIPUUXESZ-UHFFFAOYSA-N	0	1	329.179	3.076	40	5		EGBBMN
O=[N+]([O-])c1ccc(CN(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1F	ZINC000253392386	455836746	/nfs/dbraw/zinc/83/67/46/455836746.db2.gz	QDYXYKOKZXEUAE-KBPBESRZSA-N	0	1	340.420	3.220	40	5		EGBBMN
O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1Cl	ZINC000006328252	452935531	/nfs/dbraw/zinc/93/55/31/452935531.db2.gz	IHWSHMFCJBGMIW-UHFFFAOYSA-N	0	1	348.167	3.097	40	5		EGBBMN
CCOc1ccc(-c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC	ZINC000085384514	454025000	/nfs/dbraw/zinc/02/50/00/454025000.db2.gz	UWEHUMXMATXSMO-UHFFFAOYSA-N	0	1	340.339	3.454	40	5		EGBBMN
CCOc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1OC	ZINC000085384514	454025003	/nfs/dbraw/zinc/02/50/03/454025003.db2.gz	UWEHUMXMATXSMO-UHFFFAOYSA-N	0	1	340.339	3.454	40	5		EGBBMN
O=C(Nc1ccc(COCc2ccccc2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000096423311	454337500	/nfs/dbraw/zinc/33/75/00/454337500.db2.gz	MUTRBBFDCCHJKD-IAGOWNOFSA-N	0	1	326.352	3.007	40	5		EGBBMN
O=[N+]([O-])c1cccc(-c2nnc(CCNc3cccc(F)c3)[nH]2)c1	ZINC000062719131	454385757	/nfs/dbraw/zinc/38/57/57/454385757.db2.gz	UGJRSQSPVVCJBR-UHFFFAOYSA-N	0	1	327.319	3.174	40	5		EGBBMN
O=[N+]([O-])c1ccccc1CN1CCN(CCCc2ccccc2)CC1	ZINC000002734014	452719360	/nfs/dbraw/zinc/71/93/60/452719360.db2.gz	OHNOHMHIYPEBRZ-UHFFFAOYSA-N	0	1	339.439	3.345	40	5		EGBBMN
Cc1ccc(-c2n[nH]c(NC(=O)c3ccccc3[N+](=O)[O-])c2C)o1	ZINC000192479997	455627427	/nfs/dbraw/zinc/62/74/27/455627427.db2.gz	RPGIVZRJTGBMPJ-UHFFFAOYSA-N	0	1	326.312	3.447	40	5		EGBBMN
O=[N+]([O-])c1cccc([C@H](O)CSc2nc(-c3cccs3)n[nH]2)c1	ZINC000095432524	218374261	/nfs/dbraw/zinc/37/42/61/218374261.db2.gz	CDKXNRXNOBIEML-LLVKDONJSA-N	0	1	348.409	3.267	40	5		EGBBMN
CCOC(=O)c1cc(Cl)c(Sc2nc(C)n[nH]2)c([N+](=O)[O-])c1	ZINC000070462494	454169274	/nfs/dbraw/zinc/16/92/74/454169274.db2.gz	SVESILWNMKBUNM-UHFFFAOYSA-N	0	1	342.764	3.003	40	5		EGBBMN
Cc1ccc(NCC[NH+](C)C)c2c(=O)c3ccc([O-])cc3sc12	ZINC000100822836	454467820	/nfs/dbraw/zinc/46/78/20/454467820.db2.gz	BWAMCQAPFNUITP-UHFFFAOYSA-N	0	1	328.437	3.402	40	5		EGBBMN
O=[N+]([O-])c1cccc([C@H](O)CN2CCC(OC3CCCCC3)CC2)c1	ZINC000096483413	454365184	/nfs/dbraw/zinc/36/51/84/454365184.db2.gz	MIKYGZVTHHPOLW-LJQANCHMSA-N	0	1	348.443	3.442	40	5		EGBBMN
COc1ccc(-c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC	ZINC000062718905	454386237	/nfs/dbraw/zinc/38/62/37/454386237.db2.gz	ODBZAPCBVWOXEW-UHFFFAOYSA-N	0	1	326.312	3.064	40	5		EGBBMN
COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1OC	ZINC000062718905	454386241	/nfs/dbraw/zinc/38/62/41/454386241.db2.gz	ODBZAPCBVWOXEW-UHFFFAOYSA-N	0	1	326.312	3.064	40	5		EGBBMN
O=[N+]([O-])c1cccc(-c2nnc(CCNc3ccc(F)cc3)[nH]2)c1	ZINC000062719001	257690898	/nfs/dbraw/zinc/69/08/98/257690898.db2.gz	IZVBJXOQOJYHSL-UHFFFAOYSA-N	0	1	327.319	3.174	40	5		EGBBMN
Cc1c(Cl)c([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1	ZINC000004742615	1424788072	/nfs/dbraw/zinc/78/80/72/1424788072.db2.gz	GPZVOIQOWJGZNX-UHFFFAOYSA-N	0	1	326.761	3.357	40	5		EGBBMN
COc1cccc(NCCc2nnc(-c3cccc([N+](=O)[O-])c3)[nH]2)c1	ZINC000062719254	454386106	/nfs/dbraw/zinc/38/61/06/454386106.db2.gz	VQLOCIUBMRLLFQ-UHFFFAOYSA-N	0	1	339.355	3.043	40	5		EGBBMN
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O	ZINC000408557879	1424787552	/nfs/dbraw/zinc/78/75/52/1424787552.db2.gz	QJIKENOADVCXHS-UHFFFAOYSA-N	0	1	333.300	3.219	40	5		EGBBMN
O=C(CCN1CCc2sccc2C1)Nc1ccc([N+](=O)[O-])cc1	ZINC000026343767	453797217	/nfs/dbraw/zinc/79/72/17/453797217.db2.gz	DFLVSDHDSTUFOP-UHFFFAOYSA-N	0	1	331.397	3.043	40	5		EGBBMN
CCOC(=O)c1c(O)c2c(ccc3cc4ccccc4cc23)n1C(C)=O	ZINC000003844871	1424787624	/nfs/dbraw/zinc/78/76/24/1424787624.db2.gz	KJJIJAASDWFDIC-IBGZPJMESA-N	0	1	347.370	3.474	40	5		EGBBMN
CSc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000007363465	1424787768	/nfs/dbraw/zinc/78/77/68/1424787768.db2.gz	BSEOBVDUOFCWDM-UHFFFAOYSA-N	0	1	338.410	3.426	40	5		EGBBMN
Cc1ncc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)[C@H](C)C2)s1	ZINC000096419455	454335791	/nfs/dbraw/zinc/33/57/91/454335791.db2.gz	HFODHZFGVXQKRT-IAQYHMDHSA-N	0	1	347.444	3.077	40	5		EGBBMN
Cc1c2ccccc2c(C[N@H+]2C[C@H](O)C[C@@H]2C(=O)[O-])c2ccccc12	ZINC000005063093	452833267	/nfs/dbraw/zinc/83/32/67/452833267.db2.gz	HASDZSSCHARPTG-JLTOFOAXSA-N	0	1	335.403	3.321	40	5		EGBBMN
Cc1ncsc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000130742162	205255428	/nfs/dbraw/zinc/25/54/28/205255428.db2.gz	VYHIXBDUOIDVIT-UHFFFAOYSA-N	0	1	333.413	3.403	40	5		EGBBMN
CCc1nc(N)nc(N)c1-c1ccc(Cc2ccccc2)c([N+](=O)[O-])c1	ZINC000001591456	276688421	/nfs/dbraw/zinc/68/84/21/276688421.db2.gz	AGEVNTXDTUYAHG-UHFFFAOYSA-N	0	1	349.394	3.369	40	5		EGBBMN
Cc1ncc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)[C@@H](C)C2)s1	ZINC000110613691	454849687	/nfs/dbraw/zinc/84/96/87/454849687.db2.gz	HFODHZFGVXQKRT-NHYWBVRUSA-N	0	1	347.444	3.077	40	5		EGBBMN
COc1cc([N+](=O)[O-])cc(/C=C2/Sc3ccccc3NC2=O)c1O	ZINC000409094051	1424788860	/nfs/dbraw/zinc/78/88/60/1424788860.db2.gz	BSBUQWMGAZLCFF-VGOFMYFVSA-N	0	1	344.348	3.394	40	5		EGBBMN
CN(C)[C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccsc1	ZINC000025810630	453787116	/nfs/dbraw/zinc/78/71/16/453787116.db2.gz	WPUDLXIGMKQMFF-MOEXGYKKSA-N	0	1	345.424	3.089	40	5		EGBBMN
O=[N+]([O-])c1ccc(Sc2nc(-c3ccco3)n[nH]2)c([N+](=O)[O-])c1	ZINC000409274039	457597414	/nfs/dbraw/zinc/59/74/14/457597414.db2.gz	UFTAOODRNDTWHO-UHFFFAOYSA-N	0	1	333.285	3.032	40	5		EGBBMN
COc1ccc2nc(Sc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1	ZINC000320444102	456630454	/nfs/dbraw/zinc/63/04/54/456630454.db2.gz	UMCGHRTYBORFRZ-UHFFFAOYSA-N	0	1	329.337	3.443	40	5		EGBBMN
CCOc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000010112209	1424788791	/nfs/dbraw/zinc/78/87/91/1424788791.db2.gz	OTNURMJRPQVLPU-UHFFFAOYSA-N	0	1	336.369	3.103	40	5		EGBBMN
CCn1nc(C)c([N+](=O)[O-])c1Sc1nc(-c2ccccc2)n[nH]1	ZINC000253431537	455847611	/nfs/dbraw/zinc/84/76/11/455847611.db2.gz	SDYANJZDNZDNNS-UHFFFAOYSA-N	0	1	330.373	3.056	40	5		EGBBMN
CCCCOC(=O)c1ccc(Sc2nc(C)n[nH]2)c([N+](=O)[O-])c1	ZINC000070462353	454169571	/nfs/dbraw/zinc/16/95/71/454169571.db2.gz	IXFDMYVTSQDOFV-UHFFFAOYSA-N	0	1	336.373	3.129	40	5		EGBBMN
CCCCOC(=O)c1ccc(Sc2n[nH]c(C)n2)c([N+](=O)[O-])c1	ZINC000070462353	454169574	/nfs/dbraw/zinc/16/95/74/454169574.db2.gz	IXFDMYVTSQDOFV-UHFFFAOYSA-N	0	1	336.373	3.129	40	5		EGBBMN
Cc1c2ccccc2c(C[N@H+]2C[C@@H](O)C[C@@H]2C(=O)[O-])c2ccccc12	ZINC000005063094	210379785	/nfs/dbraw/zinc/37/97/85/210379785.db2.gz	HASDZSSCHARPTG-VBKZILBWSA-N	0	1	335.403	3.321	40	5		EGBBMN
C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1F	ZINC000040070000	213257877	/nfs/dbraw/zinc/25/78/77/213257877.db2.gz	ACUNJSOLSCWHMF-VIFPVBQESA-N	0	1	328.303	3.101	40	5		EGBBMN
CCCC(O)=C(CC)C(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000019863855	212077974	/nfs/dbraw/zinc/07/79/74/212077974.db2.gz	OJNRAHDZFITYIB-AWEZNQCLSA-N	0	1	334.372	3.278	40	5		EGBBMN
O=[N+]([O-])c1ccc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1F	ZINC000253392387	455837270	/nfs/dbraw/zinc/83/72/70/455837270.db2.gz	QDYXYKOKZXEUAE-KGLIPLIRSA-N	0	1	340.420	3.220	40	5		EGBBMN
Cc1ncc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)[C@@H](C)C2)s1	ZINC000195530707	455980938	/nfs/dbraw/zinc/98/09/38/455980938.db2.gz	HFODHZFGVXQKRT-XHDPSFHLSA-N	0	1	347.444	3.077	40	5		EGBBMN
CCOc1ccc(-c2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)cc1OC	ZINC000085384510	454024955	/nfs/dbraw/zinc/02/49/55/454024955.db2.gz	KXMGFSNKAVVNGJ-UHFFFAOYSA-N	0	1	340.339	3.454	40	5		EGBBMN
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccncc2)n[nH]1	ZINC000408583505	257895689	/nfs/dbraw/zinc/89/56/89/257895689.db2.gz	VESMUYXQEQXXOY-UHFFFAOYSA-N	0	1	341.352	3.129	40	5		EGBBMN
Cc1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-]	ZINC000029483390	453829131	/nfs/dbraw/zinc/82/91/31/453829131.db2.gz	NSLZWHZCNWJSSC-KRWDZBQOSA-N	0	1	339.395	3.461	40	5		EGBBMN
CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc21	ZINC000029483338	453829121	/nfs/dbraw/zinc/82/91/21/453829121.db2.gz	QZVMQWSYWNLIBP-KRWDZBQOSA-N	0	1	325.368	3.153	40	5		EGBBMN
CCOc1ccc(-c2n[nH]c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC	ZINC000085384518	454025384	/nfs/dbraw/zinc/02/53/84/454025384.db2.gz	LEWUYKPCZPBNAI-UHFFFAOYSA-N	0	1	340.339	3.454	40	5		EGBBMN
Cc1ccc(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1[N+](=O)[O-]	ZINC000043148535	454045614	/nfs/dbraw/zinc/04/56/14/454045614.db2.gz	PYRGSKXHUZHPBO-CQSZACIVSA-N	0	1	348.428	3.389	40	5		EGBBMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc2ccccc2c1	ZINC000072414274	216205051	/nfs/dbraw/zinc/20/50/51/216205051.db2.gz	VLEIRWARULDURX-UHFFFAOYSA-N	0	1	343.364	3.252	40	5		EGBBMN
Cc1ncc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)[C@H](C)C2)s1	ZINC000096419454	454335342	/nfs/dbraw/zinc/33/53/42/454335342.db2.gz	HFODHZFGVXQKRT-ABAIWWIYSA-N	0	1	347.444	3.077	40	5		EGBBMN
Cc1ccccc1CN1CCN(Cc2csc([N+](=O)[O-])c2)CC1	ZINC000047264959	454348979	/nfs/dbraw/zinc/34/89/79/454348979.db2.gz	AZPINTBXWKWWPD-UHFFFAOYSA-N	0	1	331.441	3.283	40	5		EGBBMN
COc1ccc2nc(SCC(=O)c3cccc([N+](=O)[O-])c3)[nH]c2c1	ZINC000123797036	454675649	/nfs/dbraw/zinc/67/56/49/454675649.db2.gz	BSPPKGDHLADPFX-UHFFFAOYSA-N	0	1	343.364	3.455	40	5		EGBBMN
O=C(C1=NC([N+](=O)[O-])=C(Br)C1)C(Cl)(Cl)Cl	ZINC000117913513	1424788679	/nfs/dbraw/zinc/78/86/79/1424788679.db2.gz	ZGZKCCGGECTWAS-UHFFFAOYSA-N	0	1	336.356	3.238	40	5		EGBBMN
O=[N+]([O-])c1ccc(CN(C[C@H]2CCCO2)[C@H]2CCSC2)cc1F	ZINC000253392388	455837037	/nfs/dbraw/zinc/83/70/37/455837037.db2.gz	QDYXYKOKZXEUAE-UONOGXRCSA-N	0	1	340.420	3.220	40	5		EGBBMN
O=[N+]([O-])c1cccnc1N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1	ZINC000078343396	280376375	/nfs/dbraw/zinc/37/63/75/280376375.db2.gz	UJHPYWFAUAYHKE-UHFFFAOYSA-N	0	1	341.293	3.116	40	5		EGBBMN
Cc1ccc(NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1[N+](=O)[O-]	ZINC000043148533	454045256	/nfs/dbraw/zinc/04/52/56/454045256.db2.gz	PYRGSKXHUZHPBO-AWEZNQCLSA-N	0	1	348.428	3.389	40	5		EGBBMN
O=[N+]([O-])c1ccc(-c2nnc(CCNc3cccc(F)c3)[nH]2)cc1	ZINC000062719134	454386180	/nfs/dbraw/zinc/38/61/80/454386180.db2.gz	VXRIXFGXSNVDAA-UHFFFAOYSA-N	0	1	327.319	3.174	40	5		EGBBMN
Cc1ncc(CN2CC[C@@H](Nc3ncccc3[N+](=O)[O-])[C@H](C)C2)s1	ZINC000096419451	454335927	/nfs/dbraw/zinc/33/59/27/454335927.db2.gz	BYGYOTMXIRAUOE-BXUZGUMPSA-N	0	1	347.444	3.077	40	5		EGBBMN
COc1ccc(NCCc2nnc(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1	ZINC000062719285	454385788	/nfs/dbraw/zinc/38/57/88/454385788.db2.gz	JJSCXDUINNYNTJ-UHFFFAOYSA-N	0	1	339.355	3.043	40	5		EGBBMN
CN(CCCc1ccccc1)CC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000048356063	454477922	/nfs/dbraw/zinc/47/79/22/454477922.db2.gz	XHGKDYYGCDPRMI-UHFFFAOYSA-N	0	1	327.384	3.098	40	5		EGBBMN
COc1ccc(C)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000005681319	1424788564	/nfs/dbraw/zinc/78/85/64/1424788564.db2.gz	GOBYSKOBQXCPLQ-UHFFFAOYSA-N	0	1	336.369	3.021	40	5		EGBBMN
O=[N+]([O-])c1ccc(-c2n[nH]c(-c3ccc(Br)o3)n2)cc1	ZINC000040169529	285104237	/nfs/dbraw/zinc/10/42/37/285104237.db2.gz	INPQLMWDMIDKDE-UHFFFAOYSA-N	0	1	335.117	3.402	40	5		EGBBMN
O=[N+]([O-])c1cccc(-c2n[nH]c(-c3ccc(Br)o3)n2)c1	ZINC000040169597	285152626	/nfs/dbraw/zinc/15/26/26/285152626.db2.gz	XPQUFUGHCCKFMJ-UHFFFAOYSA-N	0	1	335.117	3.402	40	5		EGBBMN
CCOc1ccccc1-c1n[nH]c(Sc2ccc([N+](=O)[O-])cn2)n1	ZINC000408528916	457580946	/nfs/dbraw/zinc/58/09/46/457580946.db2.gz	XLKYYGCOTIJENP-UHFFFAOYSA-N	0	1	343.368	3.325	40	5		EGBBMN
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccn2)n[nH]1	ZINC000408583159	457581906	/nfs/dbraw/zinc/58/19/06/457581906.db2.gz	RYJJDPSGNQAHAJ-UHFFFAOYSA-N	0	1	341.352	3.129	40	5		EGBBMN
COc1cc2c(cc1OC)CN(CCc1ccc([N+](=O)[O-])cc1)CC2	ZINC000022006229	212269430	/nfs/dbraw/zinc/26/94/30/212269430.db2.gz	APCRFYGXPUAKFD-UHFFFAOYSA-N	0	1	342.395	3.213	40	5	in-vitro	EGBBMN
O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1	ZINC000025249386	453763187	/nfs/dbraw/zinc/76/31/87/453763187.db2.gz	CADNAKAUSVEXMA-UHFFFAOYSA-N	0	1	343.324	3.439	40	5		EGBBMN
COc1ccc(NCc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000040174575	453949626	/nfs/dbraw/zinc/94/96/26/453949626.db2.gz	JZSYHBQOGISJIZ-UHFFFAOYSA-N	0	1	325.328	3.001	40	5		EGBBMN
Cc1c(CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-]	ZINC000096490851	454368792	/nfs/dbraw/zinc/36/87/92/454368792.db2.gz	FMXDVHCPBQDURV-CYBMUJFWSA-N	0	1	348.424	3.158	40	5		EGBBMN
COc1cccc(NCCc2nnc(-c3ccc([N+](=O)[O-])cc3)[nH]2)c1	ZINC000062719256	454386205	/nfs/dbraw/zinc/38/62/05/454386205.db2.gz	GOWMRWGGFPUAGB-UHFFFAOYSA-N	0	1	339.355	3.043	40	5		EGBBMN
Cc1ncc(CN2CC[C@@H](Nc3ncccc3[N+](=O)[O-])[C@@H](C)C2)s1	ZINC000195530706	455980854	/nfs/dbraw/zinc/98/08/54/455980854.db2.gz	BYGYOTMXIRAUOE-SMDDNHRTSA-N	0	1	347.444	3.077	40	5		EGBBMN
CC(=O)c1cc(NCCCCN2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000225822070	534823882	/nfs/dbraw/zinc/82/38/82/534823882.db2.gz	BPCBUZCNZFKFSL-KBPBESRZSA-N	0	1	349.431	3.099	40	5		EGBBMN
CC(C)Oc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000078544090	1424789674	/nfs/dbraw/zinc/78/96/74/1424789674.db2.gz	JVLCFUXPODUCDC-UHFFFAOYSA-N	0	1	336.369	3.183	40	5		EGBBMN
Cn1cnc([N+](=O)[O-])c1Sc1nc2cc(Cl)c(F)cc2[nH]1	ZINC000005504386	452878490	/nfs/dbraw/zinc/87/84/90/452878490.db2.gz	OFMFRGVLOPNLFM-UHFFFAOYSA-N	0	1	327.728	3.148	40	5		EGBBMN
CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21	ZINC000027360135	453815614	/nfs/dbraw/zinc/81/56/14/453815614.db2.gz	YZLRERUSZVLQOL-QGZVFWFLSA-N	0	1	339.395	3.203	40	5		EGBBMN
CCCCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)n[nH]1	ZINC000070462435	454169105	/nfs/dbraw/zinc/16/91/05/454169105.db2.gz	GOIOSHYINDTXAQ-UHFFFAOYSA-N	0	1	336.373	3.129	40	5		EGBBMN
CCCCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1n[nH]c(C)n1	ZINC000070462435	454169107	/nfs/dbraw/zinc/16/91/07/454169107.db2.gz	GOIOSHYINDTXAQ-UHFFFAOYSA-N	0	1	336.373	3.129	40	5		EGBBMN
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCc1ccccc1	ZINC000048364197	454480230	/nfs/dbraw/zinc/48/02/30/454480230.db2.gz	OMZBFEIBUMECPK-OAHLLOKOSA-N	0	1	341.411	3.486	40	5		EGBBMN
CC(=O)c1cc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000225822053	534823063	/nfs/dbraw/zinc/82/30/63/534823063.db2.gz	BPCBUZCNZFKFSL-OKILXGFUSA-N	0	1	349.431	3.099	40	5		EGBBMN
O=C(Nc1ccc(COCc2ccccc2)cc1)[C@H]1C[C@@H]1[N+](=O)[O-]	ZINC000096423310	454337436	/nfs/dbraw/zinc/33/74/36/454337436.db2.gz	MUTRBBFDCCHJKD-IRXDYDNUSA-N	0	1	326.352	3.007	40	5		EGBBMN
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCc1ccccc1	ZINC000048364194	454480141	/nfs/dbraw/zinc/48/01/41/454480141.db2.gz	OMZBFEIBUMECPK-HNNXBMFYSA-N	0	1	341.411	3.486	40	5		EGBBMN
CC(=O)c1cc(NCCCCN2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-]	ZINC000225822082	534823723	/nfs/dbraw/zinc/82/37/23/534823723.db2.gz	BPCBUZCNZFKFSL-ZIAGYGMSSA-N	0	1	349.431	3.099	40	5		EGBBMN
CC(C)Oc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000357226216	1424789181	/nfs/dbraw/zinc/78/91/81/1424789181.db2.gz	DKSGYXSHNDMRGR-UHFFFAOYSA-N	0	1	336.369	3.183	40	5		EGBBMN
CCOc1cc(-c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)ccc1OC	ZINC000085385023	454025372	/nfs/dbraw/zinc/02/53/72/454025372.db2.gz	JLBFWYKEXFMVHU-UHFFFAOYSA-N	0	1	340.339	3.454	40	5		EGBBMN
CCOc1cc(-c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1OC	ZINC000085385023	454025375	/nfs/dbraw/zinc/02/53/75/454025375.db2.gz	JLBFWYKEXFMVHU-UHFFFAOYSA-N	0	1	340.339	3.454	40	5		EGBBMN