smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@@H]43)C2=O)c1	ZINC000009429275	132316918	/nfs/dbraw/zinc/31/69/18/132316918.db2.gz	MKCXUVDFACBFDR-YKSBVNFPSA-N	0	1	448.479	3.478	50	5		IGBAMN
O=C(Nc1nnc(C2CC2)s1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000012741951	527534912	/nfs/dbraw/zinc/53/49/12/527534912.db2.gz	ZYJDERNCPKKVRQ-UHFFFAOYSA-N	0	1	445.482	3.377	50	5		IGBAMN
COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)n2)c1	ZINC000014137138	557308980	/nfs/dbraw/zinc/30/89/80/557308980.db2.gz	PDSKNMMNAQGOPA-UHFFFAOYSA-N	0	1	445.457	3.137	50	5		IGBAMN
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000001766768	562924556	/nfs/dbraw/zinc/92/45/56/562924556.db2.gz	RQUHRERZFZGIQO-UHFFFAOYSA-N	0	1	433.833	3.091	50	5		IGBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3ccc4nonc4c3[N+](=O)[O-])cc2)n1	ZINC000008817817	569476988	/nfs/dbraw/zinc/47/69/88/569476988.db2.gz	KAGWZJLAVCETBE-UHFFFAOYSA-N	0	1	441.429	3.082	50	5		IGBAMN
CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035870348	521747085	/nfs/dbraw/zinc/74/70/85/521747085.db2.gz	CYZCUKPDXQOGII-PZJWPPBQSA-N	0	1	428.920	3.247	50	5		IGBAMN
O=C(NCC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12	ZINC000035870400	527596213	/nfs/dbraw/zinc/59/62/13/527596213.db2.gz	VBUWGWGBBOUXFX-GMAHTHKFSA-N	0	1	438.503	3.123	50	5		IGBAMN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000229903653	556406701	/nfs/dbraw/zinc/40/67/01/556406701.db2.gz	QHIVKBRVVQMSNR-UWJYYQICSA-N	0	1	440.843	3.043	50	5		IGBAMN
CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000011614675	557211321	/nfs/dbraw/zinc/21/13/21/557211321.db2.gz	NNPUHIYISHVTPW-SFHVURJKSA-N	0	1	427.844	3.461	50	5		IGBAMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)n1	ZINC000003991748	569457493	/nfs/dbraw/zinc/45/74/93/569457493.db2.gz	BGCZGDQTTXZWJT-UHFFFAOYSA-N	0	1	427.442	3.055	50	5		IGBAMN
CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000009907981	132331420	/nfs/dbraw/zinc/33/14/20/132331420.db2.gz	QFKPZTJKTSLTFI-UHFFFAOYSA-N	0	1	446.891	3.429	50	5		IGBAMN
CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000009907980	132331432	/nfs/dbraw/zinc/33/14/32/132331432.db2.gz	XMJILVLNFVAKOE-UHFFFAOYSA-N	0	1	446.891	3.429	50	5		IGBAMN
O=C1Nc2ccccc2[C@]12N[C@@H](c1ccccc1)C([N+](=O)[O-])[C@@H]2c1ccc2c(c1)OCO2	ZINC000036046638	527092349	/nfs/dbraw/zinc/09/23/49/527092349.db2.gz	USVIGHKDNMDKSO-GRSYGWAWSA-N	0	1	429.432	3.336	50	5		IGBAMN
Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)c(C)c1	ZINC000229905997	557833912	/nfs/dbraw/zinc/83/39/12/557833912.db2.gz	FBUZACFTWAVIGW-RDPSFJRHSA-N	0	1	448.479	3.396	50	5		IGBAMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)n1	ZINC000006229112	568880551	/nfs/dbraw/zinc/88/05/51/568880551.db2.gz	AEYDYHKPOBIKGO-IZZDOVSWSA-N	0	1	439.453	3.146	50	5		IGBAMN
COc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)c(OC)c1	ZINC000003227466	569442183	/nfs/dbraw/zinc/44/21/83/569442183.db2.gz	CNIUFZBFZSKRDJ-UHFFFAOYSA-N	0	1	431.386	3.291	50	5		IGBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1	ZINC000002866469	569423583	/nfs/dbraw/zinc/42/35/83/569423583.db2.gz	GIMLLBSTAKCIQL-UHFFFAOYSA-N	0	1	433.467	3.196	50	5		IGBAMN
COc1cc(C[C@H]2c3c(cc(OC)c(OC)c3OC)CCN2C)c([N+](=O)[O-])cc1OC	ZINC000003124410	569440578	/nfs/dbraw/zinc/44/05/78/569440578.db2.gz	VBDZJGUUGCSLPF-INIZCTEOSA-N	0	1	432.473	3.410	50	5		IGBAMN
CC(C)CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12	ZINC000035894791	519741176	/nfs/dbraw/zinc/74/11/76/519741176.db2.gz	SEEUMRGRRWWOQR-JTHBVZDNSA-N	0	1	440.519	3.369	50	5		IGBAMN
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12)N1CCCC1	ZINC000035894818	526569155	/nfs/dbraw/zinc/56/91/55/526569155.db2.gz	HFTBBFHGKZJSBI-GMAHTHKFSA-N	0	1	438.503	3.219	50	5		IGBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)c1	ZINC000009714636	562975894	/nfs/dbraw/zinc/97/58/94/562975894.db2.gz	GMBXFNJPKBCDCC-UHFFFAOYSA-N	0	1	425.470	3.453	50	5		IGBAMN
O=C(NCC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12	ZINC000169681839	568992537	/nfs/dbraw/zinc/99/25/37/568992537.db2.gz	VBUWGWGBBOUXFX-GGAORHGYSA-N	0	1	438.503	3.123	50	5		IGBAMN
CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1	ZINC000010059895	132334466	/nfs/dbraw/zinc/33/44/66/132334466.db2.gz	CNLFCBSPNOYLSI-JXMROGBWSA-N	0	1	438.484	3.175	50	5		IGBAMN
O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1O	ZINC000012137374	526414714	/nfs/dbraw/zinc/41/47/14/526414714.db2.gz	GRWGSWVLTXSHAV-UHFFFAOYSA-N	0	1	445.497	3.460	50	5		IGBAMN
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12)N1CCCC1	ZINC000247372174	557053619	/nfs/dbraw/zinc/05/36/19/557053619.db2.gz	HFTBBFHGKZJSBI-JTHBVZDNSA-N	0	1	438.503	3.219	50	5		IGBAMN
O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000104916144	557464677	/nfs/dbraw/zinc/46/46/77/557464677.db2.gz	OMJJVXJCYLSUJZ-IRLDBZIGSA-N	0	1	440.931	3.390	50	5		IGBAMN
COc1ccc(-c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)cc2)nn1	ZINC000009715020	562975906	/nfs/dbraw/zinc/97/59/06/562975906.db2.gz	KMASFUNHMSGLDH-UHFFFAOYSA-N	0	1	445.413	3.078	50	5		IGBAMN
O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(Cc3csc4ccccc34)CC2)c1	ZINC000025753562	568779205	/nfs/dbraw/zinc/77/92/05/568779205.db2.gz	DASOONVMVAVIOB-IBGZPJMESA-N	0	1	427.526	3.367	50	5		IGBAMN
O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)C([N+](=O)[O-])[C@@H]2c1ccc2c(c1)OCO2	ZINC000169620288	568969742	/nfs/dbraw/zinc/96/97/42/568969742.db2.gz	USVIGHKDNMDKSO-HYVLGVRCSA-N	0	1	429.432	3.336	50	5		IGBAMN
CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677742	568989767	/nfs/dbraw/zinc/98/97/67/568989767.db2.gz	CYZCUKPDXQOGII-CTNGQTDRSA-N	0	1	428.920	3.247	50	5		IGBAMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)n1	ZINC000002368447	569286309	/nfs/dbraw/zinc/28/63/09/569286309.db2.gz	FFGNQDCEVOTPSF-UHFFFAOYSA-N	0	1	447.860	3.400	50	5		IGBAMN
COc1ccc(C(=O)[C@H](C(=O)N2CCC(C)CC2)n2cc(Cl)ccc2=O)cc1[N+](=O)[O-]	ZINC000009601545	569551597	/nfs/dbraw/zinc/55/15/97/569551597.db2.gz	LMLKHNVWHOUCKT-LJQANCHMSA-N	0	1	447.875	3.101	50	5		IGBAMN
Cc1nc2ccccc2c(=O)n1-c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000009707393	569561458	/nfs/dbraw/zinc/56/14/58/569561458.db2.gz	RUKFJLAWMDWYFZ-UHFFFAOYSA-N	0	1	436.449	3.403	50	5		IGBAMN
CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1	ZINC000009907979	132331464	/nfs/dbraw/zinc/33/14/64/132331464.db2.gz	OFCFFIKKOQBJAG-UHFFFAOYSA-N	0	1	426.473	3.084	50	5		IGBAMN
CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1	ZINC000009908009	132331654	/nfs/dbraw/zinc/33/16/54/132331654.db2.gz	BYLPXZULEJTVPM-UHFFFAOYSA-N	0	1	426.473	3.084	50	5		IGBAMN
Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	ZINC000096422933	556813729	/nfs/dbraw/zinc/81/37/29/556813729.db2.gz	VYPAFOYOQBWLPI-ZDLGFXPLSA-N	0	1	437.387	3.027	50	5		IGBAMN
COCC(=O)N(c1ccc(OC)c(OC)c1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000034678760	557841520	/nfs/dbraw/zinc/84/15/20/557841520.db2.gz	XSINPDWSROOWHR-UHFFFAOYSA-N	0	1	443.500	3.256	50	5		IGBAMN
COc1ccc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)c2)nn1	ZINC000009715012	562975858	/nfs/dbraw/zinc/97/58/58/562975858.db2.gz	JLFFXSPEBJOSHX-UHFFFAOYSA-N	0	1	445.413	3.078	50	5		IGBAMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1	ZINC000002370274	569288893	/nfs/dbraw/zinc/28/88/93/569288893.db2.gz	RGZYNMSKNULXHR-UHFFFAOYSA-N	0	1	427.442	3.055	50	5		IGBAMN
COc1cc(C[C@@H]2c3c(cc(OC)c(OC)c3OC)CCN2C)c([N+](=O)[O-])cc1OC	ZINC000003124408	569440502	/nfs/dbraw/zinc/44/05/02/569440502.db2.gz	VBDZJGUUGCSLPF-MRXNPFEDSA-N	0	1	432.473	3.410	50	5		IGBAMN
Cc1nc([C@@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c2ccccc2)n[nH]1	ZINC000069530822	527038422	/nfs/dbraw/zinc/03/84/22/527038422.db2.gz	NMLRJNCVCWHTSX-IBGZPJMESA-N	0	1	442.501	3.007	50	5		IGBAMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@H](c1nnc[nH]1)c1ccccc1	ZINC000097141280	556992779	/nfs/dbraw/zinc/99/27/79/556992779.db2.gz	PEQXBINKWMIGNO-IBGZPJMESA-N	0	1	442.501	3.089	50	5		IGBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1	ZINC000009714626	562975774	/nfs/dbraw/zinc/97/57/74/562975774.db2.gz	QFLWDYMRLXXURS-UHFFFAOYSA-N	0	1	425.470	3.453	50	5		IGBAMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)n1	ZINC000002312364	569272178	/nfs/dbraw/zinc/27/21/78/569272178.db2.gz	LTXXBLTZTFOMAX-UHFFFAOYSA-N	0	1	427.442	3.055	50	5		IGBAMN
COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21	ZINC000004130715	569460337	/nfs/dbraw/zinc/46/03/37/569460337.db2.gz	RSYXAVWGPLQNAR-UHFFFAOYSA-N	0	1	434.426	3.253	50	5		IGBAMN
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc3ccccc32)CC1	ZINC000024179667	556688353	/nfs/dbraw/zinc/68/83/53/556688353.db2.gz	UYUCFRFWBGXWGD-UHFFFAOYSA-N	0	1	446.507	3.212	50	5		IGBAMN
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000003565437	556817750	/nfs/dbraw/zinc/81/77/50/556817750.db2.gz	LXTFFHUTAGDHLP-UHFFFAOYSA-N	0	1	447.922	3.080	50	5		IGBAMN
CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000011614673	557211102	/nfs/dbraw/zinc/21/11/02/557211102.db2.gz	HMCLITKBOBAZHE-SFHVURJKSA-N	0	1	427.844	3.461	50	5		IGBAMN
CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000011614674	557211220	/nfs/dbraw/zinc/21/12/20/557211220.db2.gz	HMCLITKBOBAZHE-GOSISDBHSA-N	0	1	427.844	3.461	50	5		IGBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)n1	ZINC000006142121	568845446	/nfs/dbraw/zinc/84/54/46/568845446.db2.gz	MVROGZGSQOFUFS-UHFFFAOYSA-N	0	1	433.471	3.116	50	5		IGBAMN
CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12	ZINC000169681837	568992610	/nfs/dbraw/zinc/99/26/10/568992610.db2.gz	SEEUMRGRRWWOQR-GGAORHGYSA-N	0	1	440.519	3.369	50	5		IGBAMN
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000002773618	569420784	/nfs/dbraw/zinc/42/07/84/569420784.db2.gz	JZAMGSJBFPHGCY-UHFFFAOYSA-N	0	1	433.833	3.091	50	5		IGBAMN
COc1cccc(N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cccs2)c1	ZINC000008660775	569469652	/nfs/dbraw/zinc/46/96/52/569469652.db2.gz	VMPFVFMNGIIDLS-OALUTQOASA-N	0	1	449.444	3.418	50	5		IGBAMN
CC(C)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12	ZINC000035894793	519714970	/nfs/dbraw/zinc/71/49/70/519714970.db2.gz	QCUKUILEBDHDOZ-IFMALSPDSA-N	0	1	426.492	3.122	50	5		IGBAMN
CCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000020677554	521629957	/nfs/dbraw/zinc/62/99/57/521629957.db2.gz	QGNGEZFCRCWBIT-UHFFFAOYSA-N	0	1	436.516	3.354	50	5		IGBAMN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000229901137	556406673	/nfs/dbraw/zinc/40/66/73/556406673.db2.gz	ZIPJFMVKSGJOAC-UWJYYQICSA-N	0	1	440.843	3.043	50	5		IGBAMN
Cc1cccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)c1	ZINC000229901354	556406973	/nfs/dbraw/zinc/40/69/73/556406973.db2.gz	QKPDXHQQDFESEK-CVDCTZTESA-N	0	1	434.452	3.088	50	5		IGBAMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@@H](c1nnc[nH]1)c1ccccc1	ZINC000097141282	556992789	/nfs/dbraw/zinc/99/27/89/556992789.db2.gz	PEQXBINKWMIGNO-LJQANCHMSA-N	0	1	442.501	3.089	50	5		IGBAMN
O=[N+]([O-])c1c(N2CCN(CCCc3nc(-c4cccs4)no3)CC2)nc2ccccn21	ZINC000057680942	569440932	/nfs/dbraw/zinc/44/09/32/569440932.db2.gz	BFACMQOHDANNEZ-UHFFFAOYSA-N	0	1	439.501	3.109	50	5		IGBAMN
CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c2=O)cc1	ZINC000009518177	569543973	/nfs/dbraw/zinc/54/39/73/569543973.db2.gz	VDMWKEPHVYQCDK-UHFFFAOYSA-N	0	1	441.469	3.204	50	5		IGBAMN
COc1ccc(C(=O)[C@@H](C(=O)N2CCC(C)CC2)n2cc(Cl)ccc2=O)cc1[N+](=O)[O-]	ZINC000009601547	569551587	/nfs/dbraw/zinc/55/15/87/569551587.db2.gz	LMLKHNVWHOUCKT-IBGZPJMESA-N	0	1	447.875	3.101	50	5		IGBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1	ZINC000009714638	562975915	/nfs/dbraw/zinc/97/59/15/562975915.db2.gz	NIDJTLXHMGDLBE-UHFFFAOYSA-N	0	1	425.470	3.453	50	5		IGBAMN
CCCN(CCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001117209	568659451	/nfs/dbraw/zinc/65/94/51/568659451.db2.gz	FGFIHNPOALXBGH-UHFFFAOYSA-N	0	1	441.531	3.206	50	5		IGBAMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)n1	ZINC000001779625	568906082	/nfs/dbraw/zinc/90/60/82/568906082.db2.gz	AZMAITOPJQJZDO-UHFFFAOYSA-N	0	1	447.860	3.400	50	5		IGBAMN
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc([N+](=O)[O-])c1O	ZINC000036129170	568956473	/nfs/dbraw/zinc/95/64/73/568956473.db2.gz	XHJDGTUDIJAKDT-NVNXTCNLSA-N	0	1	447.400	3.123	50	5		IGBAMN
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2C1	ZINC000245325262	569503302	/nfs/dbraw/zinc/50/33/02/569503302.db2.gz	DNKZQXNZKRSEHO-WNHYQHMGSA-N	0	1	434.452	3.230	50	5		IGBAMN
CCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000020677559	521629935	/nfs/dbraw/zinc/62/99/35/521629935.db2.gz	YKYYSMAJAYWZSU-UHFFFAOYSA-N	0	1	436.516	3.354	50	5		IGBAMN
CCOc1ccc(N2C(=O)C(=Cc3cc([N+](=O)[O-])cc(OCC)c3O)NC2=S)cc1	ZINC000104549775	557456536	/nfs/dbraw/zinc/45/65/36/557456536.db2.gz	MALKAAZDGQODCF-MHWRWJLKSA-N	0	1	429.454	3.360	50	5		IGBAMN
COC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	ZINC000001087568	568656983	/nfs/dbraw/zinc/65/69/83/568656983.db2.gz	HTHPMOWMRHIOPB-FQEVSTJZSA-N	0	1	433.424	3.248	50	5		IGBAMN
O=C(N[C@H]1CCCc2ccccc21)c1n[nH]c2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2	ZINC000034789577	568738137	/nfs/dbraw/zinc/73/81/37/568738137.db2.gz	GSYUVZVOQCCKMI-FQEVSTJZSA-N	0	1	445.479	3.324	50	5		IGBAMN
O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(Cc3csc4ccccc34)CC2)c1	ZINC000025753558	568779274	/nfs/dbraw/zinc/77/92/74/568779274.db2.gz	DASOONVMVAVIOB-LJQANCHMSA-N	0	1	427.526	3.367	50	5		IGBAMN
CCCC[C@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340242	569078661	/nfs/dbraw/zinc/07/86/61/569078661.db2.gz	LDZQOYBSMUUJMT-NRFANRHFSA-N	0	1	427.549	3.266	50	5		IGBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1	ZINC000009288337	569295066	/nfs/dbraw/zinc/29/50/66/569295066.db2.gz	JLGKCUDUHLCPBD-UHFFFAOYSA-N	0	1	439.515	3.007	50	5		IGBAMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)n1	ZINC000009354763	569525123	/nfs/dbraw/zinc/52/51/23/569525123.db2.gz	URGWDTGXDOXMOY-NYYWCZLTSA-N	0	1	439.453	3.146	50	5		IGBAMN
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2C1	ZINC000009123004	132305036	/nfs/dbraw/zinc/30/50/36/132305036.db2.gz	DNKZQXNZKRSEHO-NTDBCUBYSA-N	0	1	434.452	3.025	50	5		IGBAMN
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O	ZINC000036386159	569091433	/nfs/dbraw/zinc/09/14/33/569091433.db2.gz	ZHNYUYOPWLJLBZ-SXGWCWSVSA-N	0	1	443.437	3.292	50	5		IGBAMN
COc1ccc([C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N(C)C)cc1OC	ZINC000009509110	569542446	/nfs/dbraw/zinc/54/24/46/569542446.db2.gz	XSUOPNORKASNLL-LJQANCHMSA-N	0	1	428.489	3.219	50	5		IGBAMN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000009430439	132317072	/nfs/dbraw/zinc/31/70/72/132317072.db2.gz	ZIPJFMVKSGJOAC-UTKZUKDTSA-N	0	1	440.843	3.043	50	5		IGBAMN
CCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2)C1=O	ZINC000096422948	556813743	/nfs/dbraw/zinc/81/37/43/556813743.db2.gz	DXLDKANAYPMDBW-UNOMPAQXSA-N	0	1	433.424	3.141	50	5		IGBAMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)n1	ZINC000009015557	569292962	/nfs/dbraw/zinc/29/29/62/569292962.db2.gz	FLVZTNAMLNMCIA-UHFFFAOYSA-N	0	1	447.860	3.400	50	5		IGBAMN
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2OC)cc1	ZINC000009539693	569545697	/nfs/dbraw/zinc/54/56/97/569545697.db2.gz	AXNVVNSDZCRPLS-UHFFFAOYSA-N	0	1	447.425	3.258	50	5		IGBAMN
Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)c(C)c1	ZINC000229906005	556406922	/nfs/dbraw/zinc/40/69/22/556406922.db2.gz	FBUZACFTWAVIGW-GBXCKJPGSA-N	0	1	448.479	3.396	50	5		IGBAMN
CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000032666361	556413519	/nfs/dbraw/zinc/41/35/19/556413519.db2.gz	QDVDWHSNTLXNBR-UHFFFAOYSA-N	0	1	446.891	3.429	50	5		IGBAMN
CCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000008606702	562957133	/nfs/dbraw/zinc/95/71/33/562957133.db2.gz	JDSWJSWFPZNAKL-UHFFFAOYSA-N	0	1	436.516	3.354	50	5		IGBAMN
O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC1(N2CCOCC2)CCCCC1	ZINC000025778351	568780082	/nfs/dbraw/zinc/78/00/82/568780082.db2.gz	FHXRYGFLISNGKI-UHFFFAOYSA-N	0	1	444.454	3.177	50	5		IGBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1	ZINC000001748732	568904374	/nfs/dbraw/zinc/90/43/74/568904374.db2.gz	NYFITVVEDVQCQD-UHFFFAOYSA-N	0	1	427.442	3.055	50	5		IGBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000009430435	132317096	/nfs/dbraw/zinc/31/70/96/132317096.db2.gz	ZIPJFMVKSGJOAC-DYESRHJHSA-N	0	1	440.843	3.043	50	5		IGBAMN
CCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000020677549	521629056	/nfs/dbraw/zinc/62/90/56/521629056.db2.gz	YIFBTLZZCAHPME-UHFFFAOYSA-N	0	1	436.516	3.354	50	5		IGBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)NCc2ccccn2)cc1	ZINC000012526026	526087010	/nfs/dbraw/zinc/08/70/10/526087010.db2.gz	UETUPLJDZNGWFH-UHFFFAOYSA-N	0	1	426.454	3.029	50	5		IGBAMN
CC(C)CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12	ZINC000169681838	568992531	/nfs/dbraw/zinc/99/25/31/568992531.db2.gz	SEEUMRGRRWWOQR-GMAHTHKFSA-N	0	1	440.519	3.369	50	5		IGBAMN
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2C1	ZINC000245325261	569503323	/nfs/dbraw/zinc/50/33/23/569503323.db2.gz	DNKZQXNZKRSEHO-FOZYCNAUSA-N	0	1	434.452	3.230	50	5		IGBAMN
O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000032819239	556411974	/nfs/dbraw/zinc/41/19/74/556411974.db2.gz	NALGXNHBHITLIT-UHFFFAOYSA-N	0	1	431.876	3.414	50	5		IGBAMN
CCC(=O)Oc1cn(CCCN2CCOCC2)c2nc(CC)n3c4ccccc4nc3c12	ZINC000019897592	556940580	/nfs/dbraw/zinc/94/05/80/556940580.db2.gz	SWLKLHLHBSIZLL-UHFFFAOYSA-N	0	1	435.528	3.437	50	5		IGBAMN
COc1ccccc1-n1c(O)c2c(-c3ccc([N+](=O)[O-])cc3)nn(-c3ccccc3)c2c1O	ZINC000100943219	557203111	/nfs/dbraw/zinc/20/31/11/557203111.db2.gz	DLMALLWDACOCFI-RBBKRZOGSA-N	0	1	442.431	3.386	50	5		IGBAMN
CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[nH]c1=S	ZINC000101765869	557295532	/nfs/dbraw/zinc/29/55/32/557295532.db2.gz	BPQUPNVPVKEIRL-OAHLLOKOSA-N	0	1	445.501	3.407	50	5		IGBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1	ZINC000002074719	569171819	/nfs/dbraw/zinc/17/18/19/569171819.db2.gz	MSVHWCACAVGLMX-UHFFFAOYSA-N	0	1	427.442	3.055	50	5		IGBAMN
COc1cccc(N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cccs2)c1	ZINC000027527444	569263181	/nfs/dbraw/zinc/26/31/81/569263181.db2.gz	VMPFVFMNGIIDLS-RBUKOAKNSA-N	0	1	449.444	3.418	50	5		IGBAMN
O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1NCCOc1cccc2ccccc21	ZINC000020058030	569332842	/nfs/dbraw/zinc/33/28/42/569332842.db2.gz	FJZPTWBYDRHVLN-UHFFFAOYSA-N	0	1	436.512	3.353	50	5		IGBAMN
O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN(Cc2cccc3ccccc32)CC1	ZINC000039981622	569482275	/nfs/dbraw/zinc/48/22/75/569482275.db2.gz	ZIQKRTVCSJQWIO-UHFFFAOYSA-N	0	1	446.463	3.000	50	5		IGBAMN
CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035870347	521744906	/nfs/dbraw/zinc/74/49/06/521744906.db2.gz	CYZCUKPDXQOGII-TZIWHRDSSA-N	0	1	428.920	3.247	50	5		IGBAMN
Cc1nc([C@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c2ccccc2)n[nH]1	ZINC000069530819	527070810	/nfs/dbraw/zinc/07/08/10/527070810.db2.gz	NMLRJNCVCWHTSX-LJQANCHMSA-N	0	1	442.501	3.007	50	5		IGBAMN
O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12	ZINC000247406082	557087518	/nfs/dbraw/zinc/08/75/18/557087518.db2.gz	OMJJVXJCYLSUJZ-RBBKRZOGSA-N	0	1	440.931	3.390	50	5		IGBAMN
COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc([N+](=O)[O-])c1O	ZINC000016474186	568906515	/nfs/dbraw/zinc/90/65/15/568906515.db2.gz	KZDRHHCKIQXDCE-KRWDZBQOSA-N	0	1	428.470	3.049	50	5		IGBAMN
COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000037342271	569160016	/nfs/dbraw/zinc/16/00/16/569160016.db2.gz	DBAOPGDKQJDBMT-OVCLIPMQSA-N	0	1	431.382	3.454	50	5		IGBAMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21	ZINC000031813347	569457812	/nfs/dbraw/zinc/45/78/12/569457812.db2.gz	DODQELDFWSQTEP-HNNXBMFYSA-N	0	1	426.820	3.337	50	5		IGBAMN
CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1nc2cc3c(cc2s1)OCCO3	ZINC000010065994	569577566	/nfs/dbraw/zinc/57/75/66/569577566.db2.gz	WLEIWWJYCDZMPL-UHFFFAOYSA-N	0	1	434.499	3.246	50	5		IGBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(N3CCOCC3)sc2c1	ZINC000020629236	526088429	/nfs/dbraw/zinc/08/84/29/526088429.db2.gz	CFPYWGSGWWASHE-UHFFFAOYSA-N	0	1	434.499	3.150	50	5		IGBAMN
CC(C)CCN1CCN(c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])CC1	ZINC000032932681	556675946	/nfs/dbraw/zinc/67/59/46/556675946.db2.gz	KSPVUXFHUGDMEY-UHFFFAOYSA-N	0	1	438.594	3.184	50	5		IGBAMN
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2C1	ZINC000016956648	569167215	/nfs/dbraw/zinc/16/72/15/569167215.db2.gz	DNKZQXNZKRSEHO-OTURYTIQSA-N	0	1	434.452	3.230	50	5		IGBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)n1	ZINC000009434430	569296173	/nfs/dbraw/zinc/29/61/73/569296173.db2.gz	MXOCOFJBJDPRGC-UHFFFAOYSA-N	0	1	444.429	3.454	50	5		IGBAMN
CC(C)NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12	ZINC000035894795	519716266	/nfs/dbraw/zinc/71/62/66/519716266.db2.gz	QCUKUILEBDHDOZ-RBBKRZOGSA-N	0	1	426.492	3.122	50	5		IGBAMN
O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000035870349	527493556	/nfs/dbraw/zinc/49/35/56/527493556.db2.gz	OMJJVXJCYLSUJZ-UNMCSNQZSA-N	0	1	440.931	3.390	50	5		IGBAMN
COc1ccccc1-n1c(O)c2c(-c3ccc([N+](=O)[O-])cc3)nn(-c3ccccc3)c2c1O	ZINC000100943222	557203433	/nfs/dbraw/zinc/20/34/33/557203433.db2.gz	DLMALLWDACOCFI-IFMALSPDSA-N	0	1	442.431	3.386	50	5		IGBAMN
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1	ZINC000013154030	562985558	/nfs/dbraw/zinc/98/55/58/562985558.db2.gz	HQNDPERTIHRBAF-GOSISDBHSA-N	0	1	427.413	3.027	50	5		IGBAMN
COC(=O)c1ccc(OC(=O)C[S@@](=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000006580074	568931608	/nfs/dbraw/zinc/93/16/08/568931608.db2.gz	DQWCKRMSORCXIS-LJAQVGFWSA-N	0	1	431.344	3.113	50	5		IGBAMN
COc1ccc([C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N(C)C)cc1OC	ZINC000009509109	569542453	/nfs/dbraw/zinc/54/24/53/569542453.db2.gz	XSUOPNORKASNLL-IBGZPJMESA-N	0	1	428.489	3.219	50	5		IGBAMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Sc1nc(-c2ccccc2)n[nH]1	ZINC000012732981	527339737	/nfs/dbraw/zinc/33/97/37/527339737.db2.gz	BANYOCPGSNIMCB-UHFFFAOYSA-N	0	1	431.499	3.316	50	5		IGBAMN
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccc(F)cc1)C2=O	ZINC000013591418	535496085	/nfs/dbraw/zinc/49/60/85/535496085.db2.gz	GTAWYQXMOVFEOI-AVRDEDQJSA-N	0	1	440.431	3.164	50	5		IGBAMN
Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)c1	ZINC000229901361	556406638	/nfs/dbraw/zinc/40/66/38/556406638.db2.gz	QKPDXHQQDFESEK-WMZHIEFXSA-N	0	1	434.452	3.088	50	5		IGBAMN
COc1ccccc1-n1c(O)c2c(-c3ccc([N+](=O)[O-])cc3)nn(-c3ccccc3)c2c1O	ZINC000100943216	557203139	/nfs/dbraw/zinc/20/31/39/557203139.db2.gz	DLMALLWDACOCFI-IRLDBZIGSA-N	0	1	442.431	3.386	50	5		IGBAMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)n1	ZINC000002950493	562931112	/nfs/dbraw/zinc/93/11/12/562931112.db2.gz	KTOHTZWJQIMMPN-UHFFFAOYSA-N	0	1	447.860	3.400	50	5		IGBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ncccc3O)cc2)cc1[N+](=O)[O-]	ZINC000036619910	569125792	/nfs/dbraw/zinc/12/57/92/569125792.db2.gz	PWBTYRSWNTWKGP-UHFFFAOYSA-N	0	1	428.426	3.057	50	5		IGBAMN
COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2O)cc1Br	ZINC000009805660	569297994	/nfs/dbraw/zinc/29/79/94/569297994.db2.gz	QEWYOVOCJHXFKF-UHFFFAOYSA-N	0	1	426.248	3.198	50	5		IGBAMN
O=C(NC1CC1)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1	ZINC000078902652	569320098	/nfs/dbraw/zinc/32/00/98/569320098.db2.gz	RCQDQKNDOJQJFC-UHFFFAOYSA-N	0	1	440.275	3.050	50	5		IGBAMN
COc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccncc2)cc1[N+](=O)[O-]	ZINC000040139099	569490833	/nfs/dbraw/zinc/49/08/33/569490833.db2.gz	PFLMWMYPYMXKEU-UHFFFAOYSA-N	0	1	428.426	3.052	50	5		IGBAMN
CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc([N+](=O)[O-])c2C)CC1	ZINC000009934593	132332003	/nfs/dbraw/zinc/33/20/03/132332003.db2.gz	HJASKSVJZHYQBY-UHFFFAOYSA-N	0	1	426.473	3.084	50	5		IGBAMN
O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)n[nH]2)c(S(=O)(=O)N2CCCC2)c1	ZINC000012802795	527377656	/nfs/dbraw/zinc/37/76/56/527377656.db2.gz	BMLPJKOHQBNSAN-UHFFFAOYSA-N	0	1	431.499	3.316	50	5		IGBAMN
O=C(c1cc(NCCN2CCN(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-])N1CCCC1	ZINC000059734126	556412535	/nfs/dbraw/zinc/41/25/35/556412535.db2.gz	VSKVERIVVLEEFS-UHFFFAOYSA-N	0	1	441.507	3.204	50	5		IGBAMN
Cc1nn(-c2ccc(Cl)cc2)c2nc3[nH]c(=O)[nH]c(=O)c3c(-c3ccc([N+](=O)[O-])cc3)c12	ZINC000072332963	556751498	/nfs/dbraw/zinc/75/14/98/556751498.db2.gz	JLIVQUJUIZLLDK-UHFFFAOYSA-N	0	1	448.826	3.487	50	5		IGBAMN
O=C(NCC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12	ZINC000104915610	557464350	/nfs/dbraw/zinc/46/43/50/557464350.db2.gz	VBUWGWGBBOUXFX-FYYLOGMGSA-N	0	1	438.503	3.123	50	5		IGBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)c1	ZINC000009714625	562975768	/nfs/dbraw/zinc/97/57/68/562975768.db2.gz	AQJHBPCBXBIJCN-UHFFFAOYSA-N	0	1	425.470	3.453	50	5		IGBAMN
CCCC[C@@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340243	569078666	/nfs/dbraw/zinc/07/86/66/569078666.db2.gz	LDZQOYBSMUUJMT-OAQYLSRUSA-N	0	1	427.549	3.266	50	5		IGBAMN
O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12	ZINC000230127512	569438844	/nfs/dbraw/zinc/43/88/44/569438844.db2.gz	OMJJVXJCYLSUJZ-IFMALSPDSA-N	0	1	440.931	3.390	50	5		IGBAMN
COc1cccc(N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2cccs2)c1	ZINC000008660774	569469765	/nfs/dbraw/zinc/46/97/65/569469765.db2.gz	VMPFVFMNGIIDLS-MOPGFXCFSA-N	0	1	449.444	3.418	50	5		IGBAMN
COc1ccccc1[C@@H](CNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])N(C)C	ZINC000012785841	524736445	/nfs/dbraw/zinc/73/64/45/524736445.db2.gz	UMWHTDNMIJLCLN-HXUWFJFHSA-N	0	1	448.545	3.103	50	5		IGBAMN
CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc(OC)c(O)c([N+](=O)[O-])c2)N3)C1	ZINC000033890711	520970016	/nfs/dbraw/zinc/97/00/16/520970016.db2.gz	VCGRZUMRDRDWSA-MRXNPFEDSA-N	0	1	448.457	3.314	50	5		IGBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)[C@@H]2C1	ZINC000035870233	523930796	/nfs/dbraw/zinc/93/07/96/523930796.db2.gz	CCWPZKCEHRABPU-ICSRJNTNSA-N	0	1	448.445	3.223	50	5		IGBAMN
CCOC(=O)[C@@]1(C)CC(=Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000100067432	557226224	/nfs/dbraw/zinc/22/62/24/557226224.db2.gz	VYLNKUVDNLJPIR-HXUWFJFHSA-N	0	1	426.385	3.167	50	5		IGBAMN
COC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	ZINC000001087567	568656921	/nfs/dbraw/zinc/65/69/21/568656921.db2.gz	HTHPMOWMRHIOPB-HXUWFJFHSA-N	0	1	433.424	3.248	50	5		IGBAMN
CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccccc1Cl	ZINC000015128862	568663937	/nfs/dbraw/zinc/66/39/37/568663937.db2.gz	JEQWIBBAENBMDR-QGZVFWFLSA-N	0	1	426.926	3.391	50	5		IGBAMN
COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc([N+](=O)[O-])c1O	ZINC000016361320	568878708	/nfs/dbraw/zinc/87/87/08/568878708.db2.gz	BMADEUSFNLZGCW-MRXNPFEDSA-N	0	1	432.820	3.229	50	5		IGBAMN
CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677743	568989758	/nfs/dbraw/zinc/98/97/58/568989758.db2.gz	CYZCUKPDXQOGII-FPOVZHCZSA-N	0	1	428.920	3.247	50	5		IGBAMN
CC(C)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12	ZINC000169681844	568992575	/nfs/dbraw/zinc/99/25/75/568992575.db2.gz	QCUKUILEBDHDOZ-IRLDBZIGSA-N	0	1	426.492	3.122	50	5		IGBAMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21	ZINC000031813342	569457843	/nfs/dbraw/zinc/45/78/43/569457843.db2.gz	DODQELDFWSQTEP-OAHLLOKOSA-N	0	1	426.820	3.337	50	5		IGBAMN
O=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000009097220	569501539	/nfs/dbraw/zinc/50/15/39/569501539.db2.gz	MDXYOLTVBKGALG-UHFFFAOYSA-N	0	1	445.482	3.377	50	5		IGBAMN
CCOc1ccc(C(=O)Nc2c(N)nc(SCc3cccc([N+](=O)[O-])c3)[nH]c2=O)cc1	ZINC000009518180	569543895	/nfs/dbraw/zinc/54/38/95/569543895.db2.gz	MZYXEOZLBFZINJ-UHFFFAOYSA-N	0	1	441.469	3.204	50	5		IGBAMN
Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@@H]43)C2=O)c1	ZINC000009429273	132316868	/nfs/dbraw/zinc/31/68/68/132316868.db2.gz	MKCXUVDFACBFDR-HYBUGGRVSA-N	0	1	448.479	3.478	50	5		IGBAMN
COC(=O)c1ccc2c(c1)nc1c(Cl)cc(C(=O)c3cc(F)ccc3O)cn1c2=O	ZINC000012697443	522186414	/nfs/dbraw/zinc/18/64/14/522186414.db2.gz	AGCUIIIROLZVCI-UHFFFAOYSA-N	0	1	426.787	3.363	50	5		IGBAMN
CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cc(OC)c(O)c([N+](=O)[O-])c2)N3)C1	ZINC000033890709	556721998	/nfs/dbraw/zinc/72/19/98/556721998.db2.gz	VCGRZUMRDRDWSA-INIZCTEOSA-N	0	1	448.457	3.314	50	5		IGBAMN
CCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000008606703	562957131	/nfs/dbraw/zinc/95/71/31/562957131.db2.gz	SFUKXXVIVFJSFI-UHFFFAOYSA-N	0	1	436.516	3.354	50	5		IGBAMN
COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)c3cccc([N+](=O)[O-])c3)nc21	ZINC000009604162	569551835	/nfs/dbraw/zinc/55/18/35/569551835.db2.gz	INUUVQKVDQFPTQ-UHFFFAOYSA-N	0	1	430.486	3.430	50	5		IGBAMN
CCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000020677856	523190381	/nfs/dbraw/zinc/19/03/81/523190381.db2.gz	AEBKJCNGMZNABS-UHFFFAOYSA-N	0	1	436.516	3.354	50	5		IGBAMN
COc1ccc2c(c1)CCc1c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n[nH]c1-2	ZINC000021018335	525535309	/nfs/dbraw/zinc/53/53/09/525535309.db2.gz	UDYMYKCEMDLOBD-UHFFFAOYSA-N	0	1	433.468	3.055	50	5		IGBAMN
CC(C)CCN1CCN(c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])CC1	ZINC000032932682	556675840	/nfs/dbraw/zinc/67/58/40/556675840.db2.gz	QAJHMLIBYVKKGB-GOSISDBHSA-N	0	1	438.594	3.184	50	5		IGBAMN
CCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O	ZINC000096422947	556813669	/nfs/dbraw/zinc/81/36/69/556813669.db2.gz	HVWXDCVAUUQMOH-NDENLUEZSA-N	0	1	447.451	3.450	50	5		IGBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)n1	ZINC000002074718	562925687	/nfs/dbraw/zinc/92/56/87/562925687.db2.gz	AGHRYYKCIBSXOG-UHFFFAOYSA-N	0	1	427.442	3.055	50	5		IGBAMN
O=C(N[C@@H]1CCCc2ccccc21)c1n[nH]c2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2	ZINC000034789580	568738223	/nfs/dbraw/zinc/73/82/23/568738223.db2.gz	GSYUVZVOQCCKMI-HXUWFJFHSA-N	0	1	445.479	3.324	50	5		IGBAMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)n1	ZINC000002312337	569272188	/nfs/dbraw/zinc/27/21/88/569272188.db2.gz	KWPZWTYFPWXERH-BJMVGYQFSA-N	0	1	439.453	3.146	50	5		IGBAMN
COc1cccc(N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2cccs2)c1	ZINC000008660776	569469670	/nfs/dbraw/zinc/46/96/70/569469670.db2.gz	VMPFVFMNGIIDLS-RTBURBONSA-N	0	1	449.444	3.418	50	5		IGBAMN
COc1ccccc1[C@H](CNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])N(C)C	ZINC000012785846	524792541	/nfs/dbraw/zinc/79/25/41/524792541.db2.gz	UMWHTDNMIJLCLN-FQEVSTJZSA-N	0	1	448.545	3.103	50	5		IGBAMN
CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000011614676	557211091	/nfs/dbraw/zinc/21/10/91/557211091.db2.gz	NNPUHIYISHVTPW-GOSISDBHSA-N	0	1	427.844	3.461	50	5		IGBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[C@@H]2C1	ZINC000106606208	557530448	/nfs/dbraw/zinc/53/04/48/557530448.db2.gz	CCWPZKCEHRABPU-QUCCMNQESA-N	0	1	448.445	3.223	50	5		IGBAMN
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccc(F)cc1)C2=O	ZINC000013591420	132351279	/nfs/dbraw/zinc/35/12/79/132351279.db2.gz	GTAWYQXMOVFEOI-GCJKJVERSA-N	0	1	440.431	3.164	50	5		IGBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1c1ccccc1	ZINC000247413038	557091633	/nfs/dbraw/zinc/09/16/33/557091633.db2.gz	PQZSVUDTJJTAAD-WMZHIEFXSA-N	0	1	434.452	3.169	50	5		IGBAMN
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000001766770	562924553	/nfs/dbraw/zinc/92/45/53/562924553.db2.gz	AHQMGKKYIKRNKH-UHFFFAOYSA-N	0	1	433.833	3.091	50	5		IGBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1	ZINC000002821388	569422984	/nfs/dbraw/zinc/42/29/84/569422984.db2.gz	KMNNEFWYXQWGPI-UHFFFAOYSA-N	0	1	441.469	3.363	50	5		IGBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)[C@H]2C1	ZINC000248090502	556661468	/nfs/dbraw/zinc/66/14/68/556661468.db2.gz	CCWPZKCEHRABPU-AZUAARDMSA-N	0	1	448.445	3.223	50	5		IGBAMN
CC(C)CCN1CCN(c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])CC1	ZINC000032932683	556675803	/nfs/dbraw/zinc/67/58/03/556675803.db2.gz	QAJHMLIBYVKKGB-SFHVURJKSA-N	0	1	438.594	3.184	50	5		IGBAMN
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1	ZINC000013154031	562985543	/nfs/dbraw/zinc/98/55/43/562985543.db2.gz	HQNDPERTIHRBAF-SFHVURJKSA-N	0	1	427.413	3.027	50	5		IGBAMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)cc2)n1	ZINC000006156088	568848163	/nfs/dbraw/zinc/84/81/63/568848163.db2.gz	XTCFYUHKBHMFAG-XBXARRHUSA-N	0	1	445.482	3.207	50	5		IGBAMN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12)N1CCCC1	ZINC000230134761	569439130	/nfs/dbraw/zinc/43/91/30/569439130.db2.gz	HFTBBFHGKZJSBI-FYYLOGMGSA-N	0	1	438.503	3.219	50	5		IGBAMN
Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc2nc(C)nc(N3CCN(C)CC3)c12	ZINC000002911925	132258600	/nfs/dbraw/zinc/25/86/00/132258600.db2.gz	KYUPHIWXTHQIND-UHFFFAOYSA-N	0	1	426.502	3.220	50	5		IGBAMN
CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12	ZINC000035894789	519739806	/nfs/dbraw/zinc/73/98/06/519739806.db2.gz	SEEUMRGRRWWOQR-FYYLOGMGSA-N	0	1	440.519	3.369	50	5		IGBAMN
Cn1cnnc1Sc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000012520871	527531571	/nfs/dbraw/zinc/53/15/71/527531571.db2.gz	ALZJFQNZSYIXEV-UHFFFAOYSA-N	0	1	425.879	3.329	50	5		IGBAMN
CCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000096422936	556813711	/nfs/dbraw/zinc/81/37/11/556813711.db2.gz	KJGFYMSVHWJEJK-UNOMPAQXSA-N	0	1	433.424	3.141	50	5		IGBAMN
CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[nH]c1=S	ZINC000101765864	557295409	/nfs/dbraw/zinc/29/54/09/557295409.db2.gz	BPQUPNVPVKEIRL-HNNXBMFYSA-N	0	1	445.501	3.407	50	5		IGBAMN
COc1ccc(NC(=O)CSc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)c([N+](=O)[O-])c1	ZINC000014137136	557308901	/nfs/dbraw/zinc/30/89/01/557308901.db2.gz	MVJDCOFHSIGLJS-UHFFFAOYSA-N	0	1	445.457	3.137	50	5		IGBAMN
COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc([N+](=O)[O-])c1O	ZINC000016474188	568906923	/nfs/dbraw/zinc/90/69/23/568906923.db2.gz	KZDRHHCKIQXDCE-QGZVFWFLSA-N	0	1	428.470	3.049	50	5		IGBAMN
CC(C)NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12	ZINC000169681845	568992522	/nfs/dbraw/zinc/99/25/22/568992522.db2.gz	QCUKUILEBDHDOZ-UNMCSNQZSA-N	0	1	426.492	3.122	50	5		IGBAMN
CC1(C)C([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1[N+](=O)[O-]	ZINC000239038744	569138456	/nfs/dbraw/zinc/13/84/56/569138456.db2.gz	DVPFLIMJWPWIAV-WNRNVDISSA-N	0	1	445.388	3.205	50	5		IGBAMN
CCOc1ccc(N2C(=O)C(=Cc3cc([N+](=O)[O-])cc(OCC)c3O)NC2=S)cc1	ZINC000002828349	569423086	/nfs/dbraw/zinc/42/30/86/569423086.db2.gz	MALKAAZDGQODCF-YBEGLDIGSA-N	0	1	429.454	3.360	50	5		IGBAMN
CC(C)(C)c1ccc(OCCNc2cc(N3CCN(CCO)CC3)ccc2[N+](=O)[O-])cc1	ZINC000013576575	132350853	/nfs/dbraw/zinc/35/08/53/132350853.db2.gz	MMOURLJWVGYGSS-UHFFFAOYSA-N	0	1	442.560	3.498	50	5		IGBAMN
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O	ZINC000013546496	556695840	/nfs/dbraw/zinc/69/58/40/556695840.db2.gz	ZHNYUYOPWLJLBZ-CXUHLZMHSA-N	0	1	443.437	3.292	50	5		IGBAMN
CCOC(=O)[C@]1(C)CC(=Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000100067429	557226314	/nfs/dbraw/zinc/22/63/14/557226314.db2.gz	VYLNKUVDNLJPIR-FQEVSTJZSA-N	0	1	426.385	3.167	50	5		IGBAMN
O=C(NCC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12	ZINC000104915612	557464514	/nfs/dbraw/zinc/46/45/14/557464514.db2.gz	VBUWGWGBBOUXFX-JTHBVZDNSA-N	0	1	438.503	3.123	50	5		IGBAMN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12)N1CCCC1	ZINC000104920692	557465717	/nfs/dbraw/zinc/46/57/17/557465717.db2.gz	HFTBBFHGKZJSBI-GGAORHGYSA-N	0	1	438.503	3.219	50	5		IGBAMN
CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccccc1Cl	ZINC000015128861	568663815	/nfs/dbraw/zinc/66/38/15/568663815.db2.gz	JEQWIBBAENBMDR-KRWDZBQOSA-N	0	1	426.926	3.391	50	5		IGBAMN
COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc([N+](=O)[O-])c1O	ZINC000016361318	568878605	/nfs/dbraw/zinc/87/86/05/568878605.db2.gz	BMADEUSFNLZGCW-INIZCTEOSA-N	0	1	432.820	3.229	50	5		IGBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1	ZINC000010059729	569299150	/nfs/dbraw/zinc/29/91/50/569299150.db2.gz	KYUHMXKOSNOFGT-UHFFFAOYSA-N	0	1	439.515	3.007	50	5		IGBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1	ZINC000002644959	569414021	/nfs/dbraw/zinc/41/40/21/569414021.db2.gz	QRWGAGGESAJWON-UHFFFAOYSA-N	0	1	431.392	3.251	50	5		IGBAMN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1c1ccccc1	ZINC000230061614	569419818	/nfs/dbraw/zinc/41/98/18/569419818.db2.gz	PQZSVUDTJJTAAD-CVDCTZTESA-N	0	1	434.452	3.169	50	5		IGBAMN
O=C(Nc1nncs1)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009136952	569507177	/nfs/dbraw/zinc/50/71/77/569507177.db2.gz	DBSPBSRTRBWGKV-UHFFFAOYSA-N	0	1	439.862	3.153	50	5		IGBAMN
Cc1nc2ccccc2c(=O)n1-c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009707395	569561440	/nfs/dbraw/zinc/56/14/40/569561440.db2.gz	DIEJOUXWMFTEBQ-UHFFFAOYSA-N	0	1	436.449	3.403	50	5		IGBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[C@H]2C1	ZINC000248090505	556661417	/nfs/dbraw/zinc/66/14/17/556661417.db2.gz	CCWPZKCEHRABPU-UYAOXDASSA-N	0	1	448.445	3.223	50	5		IGBAMN