smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)Cn1cc(S(=O)(=O)Nc2cc(C)ccc2C)c2cc([N+](=O)[O-])ccc21	ZINC000020558028	523402371	/nfs/dbraw/zinc/40/23/71/523402371.db2.gz	STFRXRZFXCNJAO-UHFFFAOYSA-N	0	1	417.443	3.140	50	5		HGBAMN
COCCNc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-]	ZINC000032762083	523962462	/nfs/dbraw/zinc/96/24/62/523962462.db2.gz	NGVJRHQTECFQJU-GOSISDBHSA-N	0	1	418.519	3.282	50	5		HGBAMN
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000032928379	525079108	/nfs/dbraw/zinc/07/91/08/525079108.db2.gz	QMVPCMMBPZCDEG-UHFFFAOYSA-N	0	1	420.473	3.093	50	5		HGBAMN
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccccc1)C2=O	ZINC000009433934	535495697	/nfs/dbraw/zinc/49/56/97/535495697.db2.gz	WAKKQIBHJFCIGR-AVRDEDQJSA-N	0	1	422.441	3.025	50	5		HGBAMN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@H]12)N1CCCC1	ZINC000104919743	560856838	/nfs/dbraw/zinc/85/68/38/560856838.db2.gz	CVJXMNFDINJMNG-FYYLOGMGSA-N	0	1	420.513	3.080	50	5		HGBAMN
Cc1n[nH]c(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1[N+](=O)[O-]	ZINC000096011862	568684242	/nfs/dbraw/zinc/68/42/42/568684242.db2.gz	IJDBGDRZVDQXTP-QGZVFWFLSA-N	0	1	407.421	3.250	50	5		HGBAMN
CC[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1	ZINC000021890273	568759048	/nfs/dbraw/zinc/75/90/48/568759048.db2.gz	CKRXXYGUOURKGC-UHFFFAOYSA-N	0	1	418.519	3.154	50	5		HGBAMN
CCOC(=O)C1=C(CNc2cccc([N+](=O)[O-])c2)NC(=O)N[C@@H]1c1cc(C)ccc1C	ZINC000001061580	568765802	/nfs/dbraw/zinc/76/58/02/568765802.db2.gz	DLNLQHLUAWUZKO-HXUWFJFHSA-N	0	1	424.457	3.495	50	5		HGBAMN
O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000079018945	569424121	/nfs/dbraw/zinc/42/41/21/569424121.db2.gz	BOALBZXMKKCWMT-QGZVFWFLSA-N	0	1	411.458	3.181	50	5		HGBAMN
COCCNc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-]	ZINC000032762084	523962732	/nfs/dbraw/zinc/96/27/32/523962732.db2.gz	NGVJRHQTECFQJU-SFHVURJKSA-N	0	1	418.519	3.282	50	5		HGBAMN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)c1C	ZINC000032810990	525556792	/nfs/dbraw/zinc/55/67/92/525556792.db2.gz	CYPDTTCYGWARNZ-UHFFFAOYSA-N	0	1	407.839	3.247	50	5		HGBAMN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2I)cc1	ZINC000004347467	558424361	/nfs/dbraw/zinc/42/43/61/558424361.db2.gz	XMMOHVZZJJESSD-UHFFFAOYSA-N	0	1	404.185	3.000	50	5		HGBAMN
O=C(C1CC1)N1CCCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000005099567	559244774	/nfs/dbraw/zinc/24/47/74/559244774.db2.gz	QKMOALVOYPMBAK-UHFFFAOYSA-N	0	1	401.444	3.085	50	5		HGBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3F)cc2Cl)cc1	ZINC000002804567	568811626	/nfs/dbraw/zinc/81/16/26/568811626.db2.gz	OXJCIHZSFFWRKH-UHFFFAOYSA-N	0	1	410.814	3.433	50	5		HGBAMN
Cc1cc(I)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001230655	568877251	/nfs/dbraw/zinc/87/72/51/568877251.db2.gz	CANWUMPXHLHSFZ-UHFFFAOYSA-N	0	1	418.212	3.309	50	5		HGBAMN
CC(C)NS(=O)(=O)c1ccc(Sc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1	ZINC000012758268	568943388	/nfs/dbraw/zinc/94/33/88/568943388.db2.gz	FAOSWFISSXCXSR-UHFFFAOYSA-N	0	1	419.488	3.218	50	5		HGBAMN
COc1ccc([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N2CCCCC2)cc1	ZINC000012062530	569399512	/nfs/dbraw/zinc/39/95/12/569399512.db2.gz	FGDWJXVKAMKECD-HXUWFJFHSA-N	0	1	413.474	3.326	50	5		HGBAMN
COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)c2cc([N+](=O)[O-])ccc21	ZINC000020558030	523402677	/nfs/dbraw/zinc/40/26/77/523402677.db2.gz	FODLOQGELQRIEZ-UHFFFAOYSA-N	0	1	417.443	3.140	50	5		HGBAMN
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1O	ZINC000015231071	568820997	/nfs/dbraw/zinc/82/09/97/568820997.db2.gz	HBDHOVUAUIPXMD-VGOFMYFVSA-N	0	1	403.778	3.450	50	5		HGBAMN
COc1ccc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2C(=O)CN2CCCC2)cc1	ZINC000058268805	568907178	/nfs/dbraw/zinc/90/71/78/568907178.db2.gz	VJRSFDFSXSCQOA-OAQYLSRUSA-N	0	1	408.458	3.377	50	5		HGBAMN
COC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc2c1CC(C)(C)[NH2+]C2(C)C	ZINC000004275275	568962281	/nfs/dbraw/zinc/96/22/81/568962281.db2.gz	QIUQCVNDQHVRKP-UHFFFAOYSA-N	0	1	407.448	3.448	50	5		HGBAMN
O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000079018943	569424115	/nfs/dbraw/zinc/42/41/15/569424115.db2.gz	BOALBZXMKKCWMT-KRWDZBQOSA-N	0	1	411.458	3.181	50	5		HGBAMN
Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(O)c12	ZINC000010166812	571295765	/nfs/dbraw/zinc/29/57/65/571295765.db2.gz	NSFQLTIEXGAYEQ-UHFFFAOYSA-N	0	1	403.398	3.491	50	5		HGBAMN
O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000004126161	132271878	/nfs/dbraw/zinc/27/18/78/132271878.db2.gz	OJMCRNNZWOYFQJ-UHFFFAOYSA-N	0	1	401.442	3.068	50	5		HGBAMN
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccccc1)C2=O	ZINC000009433933	132339919	/nfs/dbraw/zinc/33/99/19/132339919.db2.gz	WAKKQIBHJFCIGR-GCJKJVERSA-N	0	1	422.441	3.025	50	5		HGBAMN
CN1CCN(c2ccc(Cl)cc2NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1	ZINC000032332187	523925158	/nfs/dbraw/zinc/92/51/58/523925158.db2.gz	OIXXGBDGLSZQTK-UHFFFAOYSA-N	0	1	414.853	3.129	50	5		HGBAMN
O=C1NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)N1	ZINC000096838627	558993211	/nfs/dbraw/zinc/99/32/11/558993211.db2.gz	LDKOASKFSPZBMN-ZSOIEALJSA-N	0	1	418.203	3.117	50	5		HGBAMN
CN(C)CCN(C(=O)Cc1ccc(F)cc1)c1nc2ccc([N+](=O)[O-])cc2s1	ZINC000005268254	560556325	/nfs/dbraw/zinc/55/63/25/560556325.db2.gz	GBPGDJJPDRFUPQ-UHFFFAOYSA-N	0	1	402.451	3.481	50	5		HGBAMN
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@@H]12)N1CCCC1	ZINC000096457226	568754071	/nfs/dbraw/zinc/75/40/71/568754071.db2.gz	CVJXMNFDINJMNG-GMAHTHKFSA-N	0	1	420.513	3.080	50	5		HGBAMN
CCOc1cc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c([N+](=O)[O-])cc1OC	ZINC000012776379	568954748	/nfs/dbraw/zinc/95/47/48/568954748.db2.gz	UYQVTXMRFBNXQC-QGZVFWFLSA-N	0	1	405.426	3.174	50	5		HGBAMN
CCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)nn1	ZINC000004270379	568956610	/nfs/dbraw/zinc/95/66/10/568956610.db2.gz	SLHZBNBPEKCGKJ-UHFFFAOYSA-N	0	1	400.416	3.251	50	5		HGBAMN
C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N1CCN(C)CC1	ZINC000004270912	568956774	/nfs/dbraw/zinc/95/67/74/568956774.db2.gz	TVKBNPXOSYBYAA-JXFKEZNVSA-N	0	1	413.547	3.258	50	5		HGBAMN
CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1nc2cc3c(cc2s1)OCO3	ZINC000010065943	571294726	/nfs/dbraw/zinc/29/47/26/571294726.db2.gz	SEUJYQGXVCMFPY-UHFFFAOYSA-N	0	1	420.472	3.203	50	5		HGBAMN
Cn1ccnc1C(=O)c1ccc(NCCc2nc3ccc(F)cc3[nH]2)c([N+](=O)[O-])c1	ZINC000072313851	558841297	/nfs/dbraw/zinc/84/12/97/558841297.db2.gz	AWVCNMPJZFUMLU-UHFFFAOYSA-N	0	1	408.393	3.229	50	5		HGBAMN
COc1ccccc1[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)N1CCCCC1	ZINC000062640092	560636689	/nfs/dbraw/zinc/63/66/89/560636689.db2.gz	KAFPVQLESKUFPN-LJQANCHMSA-N	0	1	412.490	3.451	50	5		HGBAMN
CN(C)[C@H](CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])c1ccco1	ZINC000005698989	560789741	/nfs/dbraw/zinc/78/97/41/560789741.db2.gz	FYQHUTOJHZTAQC-GOSISDBHSA-N	0	1	422.507	3.077	50	5		HGBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(I)c2)cc1	ZINC000000869526	568713687	/nfs/dbraw/zinc/71/36/87/568713687.db2.gz	JYMXGHKUVUZOMC-UHFFFAOYSA-N	0	1	404.185	3.000	50	5		HGBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1	ZINC000002804438	568811641	/nfs/dbraw/zinc/81/16/41/568811641.db2.gz	AJOZOLLMXROSKD-UHFFFAOYSA-N	0	1	410.814	3.433	50	5		HGBAMN
CC(=O)N1CCC(N[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1	ZINC000015501083	568940186	/nfs/dbraw/zinc/94/01/86/568940186.db2.gz	LZFSYWKVZJYCMX-NRFANRHFSA-N	0	1	410.474	3.184	50	5		HGBAMN
O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000004107189	568943357	/nfs/dbraw/zinc/94/33/57/568943357.db2.gz	NRCQPCRSALAZGK-UHFFFAOYSA-N	0	1	402.750	3.322	50	5		HGBAMN
O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCCCC1	ZINC000008181510	568980081	/nfs/dbraw/zinc/98/00/81/568980081.db2.gz	SRKIFEHNZCEJKX-UHFFFAOYSA-N	0	1	403.460	3.412	50	5		HGBAMN
O=c1[nH]c2ccccc2nc1-c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000170615670	569247387	/nfs/dbraw/zinc/24/73/87/569247387.db2.gz	NTZLFDXCFBXGSA-UHFFFAOYSA-N	0	1	422.422	3.299	50	5		HGBAMN
CN1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc(F)cc2)CC1	ZINC000009740476	571283376	/nfs/dbraw/zinc/28/33/76/571283376.db2.gz	XXOOBJOLFDFKDF-IBGZPJMESA-N	0	1	420.872	3.106	50	5		HGBAMN
CN1CCN(c2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1	ZINC000004688523	536424918	/nfs/dbraw/zinc/42/49/18/536424918.db2.gz	XXUBLUUZEVGFPN-UHFFFAOYSA-N	0	1	409.490	3.199	50	5		HGBAMN
O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21	ZINC000005252368	560551671	/nfs/dbraw/zinc/55/16/71/560551671.db2.gz	TZDJJHJFHZXXEI-UHFFFAOYSA-N	0	1	401.444	3.085	50	5		HGBAMN
CC(=O)N1CCc2cc(NS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3Cl)ccc21	ZINC000095460474	568620217	/nfs/dbraw/zinc/62/02/17/568620217.db2.gz	PDDZKJHYFJGZTO-UHFFFAOYSA-N	0	1	409.851	3.266	50	5		HGBAMN
Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1	ZINC000034676438	568725964	/nfs/dbraw/zinc/72/59/64/568725964.db2.gz	AQVXRVNUHIBDRN-NRFANRHFSA-N	0	1	408.502	3.330	50	5		HGBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nn(Cc3cccc(F)c3)cc2Cl)cc1	ZINC000002804566	568811515	/nfs/dbraw/zinc/81/15/15/568811515.db2.gz	GERKRDUCFVNKQW-UHFFFAOYSA-N	0	1	410.814	3.433	50	5		HGBAMN
Cc1ccccc1-n1c(=O)c2cn[nH]c2nc1SCC(=O)c1cccc([N+](=O)[O-])c1	ZINC000002913522	568816081	/nfs/dbraw/zinc/81/60/81/568816081.db2.gz	LYGDEMSWQTYXJW-UHFFFAOYSA-N	0	1	421.438	3.300	50	5		HGBAMN
CCN(CC)CCN(Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000079076440	569426982	/nfs/dbraw/zinc/42/69/82/569426982.db2.gz	RVOJPMNLWAYUPB-UHFFFAOYSA-N	0	1	405.520	3.347	50	5		HGBAMN
COc1cc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc([N+](=O)[O-])c1O	ZINC000019843000	569430944	/nfs/dbraw/zinc/43/09/44/569430944.db2.gz	JAAYBASAFUIYJC-INIZCTEOSA-N	0	1	413.415	3.386	50	5		HGBAMN
CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])ccc1Cl	ZINC000040114702	571172214	/nfs/dbraw/zinc/17/22/14/571172214.db2.gz	VWVHWFQLQCLAOX-ZBFHGGJFSA-N	0	1	423.878	3.159	50	5		HGBAMN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(OCCn3cccn3)c2)c1C	ZINC000040135044	571188086	/nfs/dbraw/zinc/18/80/86/571188086.db2.gz	YXEUSOMCRVBQLT-UHFFFAOYSA-N	0	1	416.459	3.288	50	5		HGBAMN
COc1cc2nc3c(Cl)cc(C(=O)c4ccccc4O)cn3c(=O)c2cc1OC	ZINC000009114659	571223816	/nfs/dbraw/zinc/22/38/16/571223816.db2.gz	ZZMVUIZANQJRHH-UHFFFAOYSA-N	0	1	410.813	3.455	50	5		HGBAMN
COc1cc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)c([N+](=O)[O-])cc1OC	ZINC000025459547	522102196	/nfs/dbraw/zinc/10/21/96/522102196.db2.gz	KDGKQVIKUZGPRZ-UHFFFAOYSA-N	0	1	413.474	3.179	50	5		HGBAMN
O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc([N+](=O)[O-])cc1	ZINC000020738873	568641251	/nfs/dbraw/zinc/64/12/51/568641251.db2.gz	MEBRYLGSJLTYIL-CQSZACIVSA-N	0	1	412.793	3.029	50	5		HGBAMN
Cc1cccc(C)c1N1CCN(CC[C@@H]2Oc3cc([N+](=O)[O-])ccc3NC2=O)CC1	ZINC000052525215	568769263	/nfs/dbraw/zinc/76/92/63/568769263.db2.gz	OKCKWRUPHWZSTL-IBGZPJMESA-N	0	1	410.474	3.123	50	5		HGBAMN
C[NH+](C)CC(C)(C)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-]	ZINC000013038957	569407602	/nfs/dbraw/zinc/40/76/02/569407602.db2.gz	CBDYVRBGQPRSEF-UHFFFAOYSA-N	0	1	406.508	3.395	50	5		HGBAMN
CN(C)[C@@H](CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])c1ccco1	ZINC000005698988	560789656	/nfs/dbraw/zinc/78/96/56/560789656.db2.gz	FYQHUTOJHZTAQC-SFHVURJKSA-N	0	1	422.507	3.077	50	5		HGBAMN
CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n[nH]2)cc1	ZINC000021017138	568657726	/nfs/dbraw/zinc/65/77/26/568657726.db2.gz	WYRWSFQAWCUBLR-UHFFFAOYSA-N	0	1	421.457	3.346	50	5		HGBAMN
COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000005845954	568825694	/nfs/dbraw/zinc/82/56/94/568825694.db2.gz	IIGGGPLKXHNVAE-HNNXBMFYSA-N	0	1	407.835	3.474	50	5		HGBAMN
COC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1	ZINC000012536298	568845778	/nfs/dbraw/zinc/84/57/78/568845778.db2.gz	OAFMCILBXXXMOA-UHFFFAOYSA-N	0	1	404.322	3.201	50	5		HGBAMN
CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@@H]12	ZINC000169677332	569125365	/nfs/dbraw/zinc/12/53/65/569125365.db2.gz	DCUPWDOSDJOORF-GGAORHGYSA-N	0	1	422.529	3.230	50	5		HGBAMN
CCOC(=O)[C@@H]1N[C@H](c2ccc(OC)cc2)C([N+](=O)[O-])[C@@H]1c1cn(C)c2ccccc12	ZINC000252626900	569310716	/nfs/dbraw/zinc/31/07/16/569310716.db2.gz	RHWPUZZDWGKMKK-YSFYHYPLSA-N	0	1	423.469	3.192	50	5		HGBAMN
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc([N+](=O)[O-])c1)N(CCN(C)C)C3=O	ZINC000008549536	571078057	/nfs/dbraw/zinc/07/80/57/571078057.db2.gz	JSPNDSSCHDJZKE-HXUWFJFHSA-N	0	1	421.453	3.425	50	5		HGBAMN
COC(=O)C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1	ZINC000040079796	571154912	/nfs/dbraw/zinc/15/49/12/571154912.db2.gz	GBLAMWBYULBBRU-HNNXBMFYSA-N	0	1	402.794	3.159	50	5		HGBAMN
O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1cccc([N+](=O)[O-])c1	ZINC000031813508	527101159	/nfs/dbraw/zinc/10/11/59/527101159.db2.gz	CVMRURWLSYGBGR-CQSZACIVSA-N	0	1	412.793	3.029	50	5		HGBAMN
COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccc([N+](=O)[O-])o3)nc21	ZINC000004359410	558451696	/nfs/dbraw/zinc/45/16/96/558451696.db2.gz	NSEPJAJNPFWLSV-UHFFFAOYSA-N	0	1	404.448	3.323	50	5		HGBAMN
COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000004704892	558906808	/nfs/dbraw/zinc/90/68/08/558906808.db2.gz	IDJRPRFSGMGHPZ-MLPAPPSSSA-N	0	1	403.778	3.055	50	5		HGBAMN
Cc1c[nH]c(=O)n1-c1ccccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000058283309	568908419	/nfs/dbraw/zinc/90/84/19/568908419.db2.gz	GMLUPDVMULUDQV-UHFFFAOYSA-N	0	1	422.850	3.145	50	5		HGBAMN
C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N1CCN(C)CC1	ZINC000004270915	568956859	/nfs/dbraw/zinc/95/68/59/568956859.db2.gz	TVKBNPXOSYBYAA-OXJNMPFZSA-N	0	1	413.547	3.258	50	5		HGBAMN
CCOC(=O)[C@@H]1N[C@H](c2ccc(OC)cc2)C([N+](=O)[O-])[C@H]1c1cn(C)c2ccccc12	ZINC000252626899	569310737	/nfs/dbraw/zinc/31/07/37/569310737.db2.gz	RHWPUZZDWGKMKK-DXBBTUNJSA-N	0	1	423.469	3.192	50	5		HGBAMN
COc1ccc([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N2CCCCC2)cc1	ZINC000012062531	569399556	/nfs/dbraw/zinc/39/95/56/569399556.db2.gz	FGDWJXVKAMKECD-FQEVSTJZSA-N	0	1	413.474	3.326	50	5		HGBAMN
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc([N+](=O)[O-])c1)N(CCN(C)C)C3=O	ZINC000008549486	571078026	/nfs/dbraw/zinc/07/80/26/571078026.db2.gz	JSPNDSSCHDJZKE-FQEVSTJZSA-N	0	1	421.453	3.425	50	5		HGBAMN
Cc1n[nH]c(-n2ccc3nc4ccn(CCC5=CCCCC5)c(=O)c4cc3c2=O)n1	ZINC000036357093	558799285	/nfs/dbraw/zinc/79/92/85/558799285.db2.gz	XUHQQELOWJSOSF-UHFFFAOYSA-N	0	1	402.458	3.018	50	5		HGBAMN
O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O	ZINC000013941663	558984762	/nfs/dbraw/zinc/98/47/62/558984762.db2.gz	UYTYGFDERRRGIE-UHFFFAOYSA-N	0	1	417.377	3.349	50	5		HGBAMN
COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c(F)cc1F	ZINC000408515674	559213095	/nfs/dbraw/zinc/21/30/95/559213095.db2.gz	WCTDAYOSZKIDAG-UHFFFAOYSA-N	0	1	424.740	3.253	50	5		HGBAMN
Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc12	ZINC000020114352	568589024	/nfs/dbraw/zinc/58/90/24/568589024.db2.gz	RIKDJQTWJQLYFR-UHFFFAOYSA-N	0	1	405.458	3.456	50	5		HGBAMN
O=C(C[C@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000018992317	568745059	/nfs/dbraw/zinc/74/50/59/568745059.db2.gz	RXFNYZZKCNJYKA-MRXNPFEDSA-N	0	1	423.406	3.119	50	5		HGBAMN
COc1cccc(C2=NC(=O)C(CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])S2)c1	ZINC000006510436	569062147	/nfs/dbraw/zinc/06/21/47/569062147.db2.gz	NAPLPFMAMQEVEA-INIZCTEOSA-N	0	1	415.427	3.029	50	5		HGBAMN
COC(=O)C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1	ZINC000040079798	571154899	/nfs/dbraw/zinc/15/48/99/571154899.db2.gz	GBLAMWBYULBBRU-OAHLLOKOSA-N	0	1	402.794	3.159	50	5		HGBAMN
COC(=O)c1ccc2c(c1)nc1c(Cl)cc(C(=O)c3ccccc3O)cn1c2=O	ZINC000009114661	571223806	/nfs/dbraw/zinc/22/38/06/571223806.db2.gz	DSCAHUNQJWBPIW-UHFFFAOYSA-N	0	1	408.797	3.224	50	5		HGBAMN
Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(O)c12	ZINC000010166813	571295683	/nfs/dbraw/zinc/29/56/83/571295683.db2.gz	ZNEWCQPZIUHSOM-UHFFFAOYSA-N	0	1	403.398	3.491	50	5		HGBAMN
CC(=O)N1CCC(N[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1	ZINC000015501081	558741666	/nfs/dbraw/zinc/74/16/66/558741666.db2.gz	LZFSYWKVZJYCMX-OAQYLSRUSA-N	0	1	410.474	3.184	50	5		HGBAMN
Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1	ZINC000034676437	568725857	/nfs/dbraw/zinc/72/58/57/568725857.db2.gz	AQVXRVNUHIBDRN-OAQYLSRUSA-N	0	1	408.502	3.330	50	5		HGBAMN
CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1OCC	ZINC000002878301	568813991	/nfs/dbraw/zinc/81/39/91/568813991.db2.gz	SBDCNNUEDZAOFJ-IBGZPJMESA-N	0	1	411.414	3.322	50	5		HGBAMN
CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1O	ZINC000012637778	568884020	/nfs/dbraw/zinc/88/40/20/568884020.db2.gz	VFKMQLGMCQZDNA-ZDUSSCGKSA-N	0	1	423.878	3.444	50	5		HGBAMN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@@H]12)N1CCCC1	ZINC000169681915	569127866	/nfs/dbraw/zinc/12/78/66/569127866.db2.gz	CVJXMNFDINJMNG-GGAORHGYSA-N	0	1	420.513	3.080	50	5		HGBAMN
COc1ccc2sc(N(CCN(C)C)C(=O)c3cccc([N+](=O)[O-])c3)nc2c1	ZINC000005121499	559248574	/nfs/dbraw/zinc/24/85/74/559248574.db2.gz	NEESSVWPJNAZLT-UHFFFAOYSA-N	0	1	400.460	3.422	50	5		HGBAMN
O=[N+]([O-])c1ccc(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2nonc21	ZINC000006088994	568999011	/nfs/dbraw/zinc/99/90/11/568999011.db2.gz	VMQNGIVIZWWANY-UHFFFAOYSA-N	0	1	418.416	3.132	50	5		HGBAMN
O=C(Nc1nccs1)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000002368660	569385857	/nfs/dbraw/zinc/38/58/57/569385857.db2.gz	VLXNECIZVQHAJO-UHFFFAOYSA-N	0	1	404.429	3.104	50	5		HGBAMN
COc1ccc(S(=O)(=O)Nc2ccccc2Sc2nccn2C)cc1[N+](=O)[O-]	ZINC000069419666	571228030	/nfs/dbraw/zinc/22/80/30/571228030.db2.gz	SSHSXLWAHFWHBH-UHFFFAOYSA-N	0	1	420.472	3.289	50	5		HGBAMN
CN1CCN([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc(F)cc2)CC1	ZINC000009740486	571283407	/nfs/dbraw/zinc/28/34/07/571283407.db2.gz	XXOOBJOLFDFKDF-LJQANCHMSA-N	0	1	420.872	3.106	50	5		HGBAMN
CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000032321041	523563612	/nfs/dbraw/zinc/56/36/12/523563612.db2.gz	DYOKGEJFVNUBLA-UHFFFAOYSA-N	0	1	400.345	3.488	50	5		HGBAMN
O=C(c1[nH]nc2ccccc21)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000023558927	559177133	/nfs/dbraw/zinc/17/71/33/559177133.db2.gz	DQFNWSRDXBZZSI-UHFFFAOYSA-N	0	1	419.363	3.452	50	5		HGBAMN
O=C(C[C@@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000018992315	568745140	/nfs/dbraw/zinc/74/51/40/568745140.db2.gz	RXFNYZZKCNJYKA-INIZCTEOSA-N	0	1	423.406	3.119	50	5		HGBAMN
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1n[nH]c(=S)s1	ZINC000002976359	568831605	/nfs/dbraw/zinc/83/16/05/568831605.db2.gz	BIYQXIUQUCDWAZ-UHFFFAOYSA-N	0	1	403.410	3.180	50	5		HGBAMN
CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])ccc1Cl	ZINC000040114704	571172359	/nfs/dbraw/zinc/17/23/59/571172359.db2.gz	VWVHWFQLQCLAOX-HOCLYGCPSA-N	0	1	423.878	3.159	50	5		HGBAMN
CN1CCN(c2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)CC1	ZINC000023133968	559017758	/nfs/dbraw/zinc/01/77/58/559017758.db2.gz	WHSUEXVLJPNHNP-UHFFFAOYSA-N	0	1	423.517	3.202	50	5		HGBAMN
CCOc1cc2c(cc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)O[C@@H](C)C2	ZINC000012560471	568858283	/nfs/dbraw/zinc/85/82/83/568858283.db2.gz	WXJBZPDZAKAHAK-NSHDSACASA-N	0	1	408.432	3.126	50	5		HGBAMN
COc1ccc([C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2C(=O)CN2CCCC2)cc1	ZINC000058268803	568907181	/nfs/dbraw/zinc/90/71/81/568907181.db2.gz	VJRSFDFSXSCQOA-NRFANRHFSA-N	0	1	408.458	3.377	50	5		HGBAMN
C[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1	ZINC000016642625	569061469	/nfs/dbraw/zinc/06/14/69/569061469.db2.gz	TXLLJIIVAKUFMR-CQSZACIVSA-N	0	1	403.460	3.268	50	5		HGBAMN
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1O	ZINC000009120253	571225196	/nfs/dbraw/zinc/22/51/96/571225196.db2.gz	VFKMQLGMCQZDNA-CYBMUJFWSA-N	0	1	423.878	3.444	50	5		HGBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1	ZINC000004580657	558766718	/nfs/dbraw/zinc/76/67/18/558766718.db2.gz	YCBCGRHOQPVXRO-UHFFFAOYSA-N	0	1	419.547	3.178	50	5		HGBAMN
O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1	ZINC000247330340	558864187	/nfs/dbraw/zinc/86/41/87/558864187.db2.gz	OUEVNJFJTWRQDM-QUCCMNQESA-N	0	1	414.458	3.333	50	5		HGBAMN
Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)c3nnc[nH]3)c([N+](=O)[O-])c2)c(C)c1	ZINC000095455210	568616628	/nfs/dbraw/zinc/61/66/28/568616628.db2.gz	IXRMIZMZFPXVDA-ZDUSSCGKSA-N	0	1	416.463	3.304	50	5		HGBAMN
Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1[N+](=O)[O-]	ZINC000028258998	568783782	/nfs/dbraw/zinc/78/37/82/568783782.db2.gz	DXPMBHJCIJJMTN-UHFFFAOYSA-N	0	1	404.231	3.110	50	5		HGBAMN
Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000016205992	569029807	/nfs/dbraw/zinc/02/98/07/569029807.db2.gz	JVTDTZZWMGQRCS-UHFFFAOYSA-N	0	1	402.357	3.232	50	5		HGBAMN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1	ZINC000004724901	558923072	/nfs/dbraw/zinc/92/30/72/558923072.db2.gz	DEMHEOFCKITRMV-VMPITWQZSA-N	0	1	424.501	3.263	50	5		HGBAMN
Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000097162887	558998190	/nfs/dbraw/zinc/99/81/90/558998190.db2.gz	VCKNHUVLRQHGLO-UHFFFAOYSA-N	0	1	402.882	3.472	50	5		HGBAMN
Cc1cc(Br)c(O)c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1	ZINC000058382232	568915627	/nfs/dbraw/zinc/91/56/27/568915627.db2.gz	SHXKTDDIAWZMRV-UHFFFAOYSA-N	0	1	420.263	3.334	50	5		HGBAMN
CCOC(=O)[C@@H]1N[C@H](c2ccc(OC)cc2)C([N+](=O)[O-])[C@H]1c1cn(C)c2ccccc12	ZINC000252626898	569310781	/nfs/dbraw/zinc/31/07/81/569310781.db2.gz	RHWPUZZDWGKMKK-CBPXPLCBSA-N	0	1	423.469	3.192	50	5		HGBAMN
COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2)cc1	ZINC000009699127	569393831	/nfs/dbraw/zinc/39/38/31/569393831.db2.gz	UZHNQMLTWVXCKS-UHFFFAOYSA-N	0	1	415.431	3.128	50	5		HGBAMN
CN(C)CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2cc3c(cc2s1)OCO3	ZINC000004359335	558451113	/nfs/dbraw/zinc/45/11/13/558451113.db2.gz	CADKOMOQJLFUFP-UHFFFAOYSA-N	0	1	414.443	3.142	50	5		HGBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1	ZINC000000837246	568501849	/nfs/dbraw/zinc/50/18/49/568501849.db2.gz	PBZMAUSOHKHKAD-UHFFFAOYSA-N	0	1	404.185	3.000	50	5		HGBAMN
O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccccc1[N+](=O)[O-]	ZINC000020739392	568641115	/nfs/dbraw/zinc/64/11/15/568641115.db2.gz	GLZYBAPMUPOAIU-CQSZACIVSA-N	0	1	412.793	3.029	50	5		HGBAMN
O=c1[nH]c2ccccc2nc1-c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000096012467	568684724	/nfs/dbraw/zinc/68/47/24/568684724.db2.gz	VNFIFAGCQTVDBR-UHFFFAOYSA-N	0	1	422.422	3.299	50	5		HGBAMN
COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1Br	ZINC000001111690	568770557	/nfs/dbraw/zinc/77/05/57/568770557.db2.gz	DFFJAMHOGILRLD-UHFFFAOYSA-N	0	1	417.237	3.175	50	5		HGBAMN
C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N1CCN(C)CC1	ZINC000004270917	568956744	/nfs/dbraw/zinc/95/67/44/568956744.db2.gz	TVKBNPXOSYBYAA-OXQOHEQNSA-N	0	1	413.547	3.258	50	5		HGBAMN
CN(CCOc1ccc(Br)cc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000040070009	571150911	/nfs/dbraw/zinc/15/09/11/571150911.db2.gz	TYJFEKBNTQGYRU-UHFFFAOYSA-N	0	1	419.235	3.385	50	5		HGBAMN
CCN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(Cl)cc2)CC1	ZINC000009197195	535748337	/nfs/dbraw/zinc/74/83/37/535748337.db2.gz	VIDZIOOEZJYFOF-UHFFFAOYSA-N	0	1	424.910	3.191	50	5		HGBAMN
O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc([N+](=O)[O-])cc1	ZINC000020738876	568641260	/nfs/dbraw/zinc/64/12/60/568641260.db2.gz	MEBRYLGSJLTYIL-AWEZNQCLSA-N	0	1	412.793	3.029	50	5		HGBAMN
O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000021018225	568657883	/nfs/dbraw/zinc/65/78/83/568657883.db2.gz	LTTOYSLWMXKPNU-UHFFFAOYSA-N	0	1	403.442	3.046	50	5		HGBAMN
C[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1	ZINC000016642626	569061458	/nfs/dbraw/zinc/06/14/58/569061458.db2.gz	TXLLJIIVAKUFMR-AWEZNQCLSA-N	0	1	403.460	3.268	50	5		HGBAMN
CC(C)CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@H]12	ZINC000035894501	569065183	/nfs/dbraw/zinc/06/51/83/569065183.db2.gz	DCUPWDOSDJOORF-JTHBVZDNSA-N	0	1	422.529	3.230	50	5		HGBAMN
Cc1ccc2nc(Sc3cc(NCCCO)c([N+](=O)[O-])c4nonc43)[nH]c2c1	ZINC000009434241	571258750	/nfs/dbraw/zinc/25/87/50/571258750.db2.gz	AYYAXSKUZWOBTE-UHFFFAOYSA-N	0	1	400.420	3.261	50	5		HGBAMN
Cn1c(CN2CCCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000006130200	569009431	/nfs/dbraw/zinc/00/94/31/569009431.db2.gz	WRSIRGMQCLTABN-UHFFFAOYSA-N	0	1	409.446	3.095	50	5		HGBAMN
COc1cc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc([N+](=O)[O-])c1O	ZINC000019842998	569430863	/nfs/dbraw/zinc/43/08/63/569430863.db2.gz	JAAYBASAFUIYJC-MRXNPFEDSA-N	0	1	413.415	3.386	50	5		HGBAMN
O=C(COc1ccc(Cl)cc1)NCc1n[nH]c(=S)n1-c1ccc([N+](=O)[O-])cc1	ZINC000009368566	571252444	/nfs/dbraw/zinc/25/24/44/571252444.db2.gz	FULCHYVWIGOWMS-UHFFFAOYSA-N	0	1	419.850	3.187	50	5		HGBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1ccccc1	ZINC000008971891	132334396	/nfs/dbraw/zinc/33/43/96/132334396.db2.gz	FPTLILCQASKCBJ-DYESRHJHSA-N	0	1	406.398	3.229	50	5		HGBAMN
CCc1n[nH]c(-n2ccc3nc4ccn(C5CCCCCC5)c(=O)c4cc3c2=O)n1	ZINC000040399146	522123767	/nfs/dbraw/zinc/12/37/67/522123767.db2.gz	IFJJOSLJVOFUPQ-UHFFFAOYSA-N	0	1	404.474	3.276	50	5		HGBAMN
CCc1nc(-n2ccc3nc4ccn(C5CCCCCC5)c(=O)c4cc3c2=O)n[nH]1	ZINC000040399146	522123776	/nfs/dbraw/zinc/12/37/76/522123776.db2.gz	IFJJOSLJVOFUPQ-UHFFFAOYSA-N	0	1	404.474	3.276	50	5		HGBAMN
O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000052554242	568771599	/nfs/dbraw/zinc/77/15/99/568771599.db2.gz	CXYLIOUNKGGFRU-UHFFFAOYSA-N	0	1	403.866	3.408	50	5		HGBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1c1ccccc1	ZINC000230038833	568803391	/nfs/dbraw/zinc/80/33/91/568803391.db2.gz	FPTLILCQASKCBJ-LAUBAEHRSA-N	0	1	406.398	3.229	50	5		HGBAMN
CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@H]12	ZINC000035894499	569065174	/nfs/dbraw/zinc/06/51/74/569065174.db2.gz	DCUPWDOSDJOORF-FYYLOGMGSA-N	0	1	422.529	3.230	50	5		HGBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2CCCCC2)cc1	ZINC000033018888	558834705	/nfs/dbraw/zinc/83/47/05/558834705.db2.gz	QEQBNCJDNZUTHU-UHFFFAOYSA-N	0	1	403.460	3.330	50	5		HGBAMN
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000004831853	559162946	/nfs/dbraw/zinc/16/29/46/559162946.db2.gz	BIPYPKWIQGCNBG-UHFFFAOYSA-N	0	1	413.459	3.233	50	5		HGBAMN
O=c1[nH]c2ccccc2nc1-c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008710329	560637664	/nfs/dbraw/zinc/63/76/64/560637664.db2.gz	WUTAWVVGBFWBAX-UHFFFAOYSA-N	0	1	422.422	3.299	50	5		HGBAMN
COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000015010596	560779646	/nfs/dbraw/zinc/77/96/46/560779646.db2.gz	WXILQFZFOUIXOT-SXGWCWSVSA-N	0	1	414.395	3.228	50	5		HGBAMN
CCOC(=O)C1=C(CNc2cccc([N+](=O)[O-])c2)NC(=O)N[C@H]1c1cc(C)ccc1C	ZINC000001061573	568765853	/nfs/dbraw/zinc/76/58/53/568765853.db2.gz	DLNLQHLUAWUZKO-FQEVSTJZSA-N	0	1	424.457	3.495	50	5		HGBAMN
O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000003335743	568882777	/nfs/dbraw/zinc/88/27/77/568882777.db2.gz	WOVQLSZUWCNXOA-UHFFFAOYSA-N	0	1	414.389	3.046	50	5		HGBAMN
O=C([O-])c1ccc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1	ZINC000088613816	569028730	/nfs/dbraw/zinc/02/87/30/569028730.db2.gz	ZCQMJNOKCWBKMN-UHFFFAOYSA-N	0	1	405.838	3.147	50	5		HGBAMN
Cc1ccn2cc(-c3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2n1	ZINC000009572169	571269067	/nfs/dbraw/zinc/26/90/67/571269067.db2.gz	SZWRMBUXFOWMQL-UHFFFAOYSA-N	0	1	409.427	3.414	50	5		HGBAMN
COc1ccccc1[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)N1CCCCC1	ZINC000062640091	560636745	/nfs/dbraw/zinc/63/67/45/560636745.db2.gz	KAFPVQLESKUFPN-IBGZPJMESA-N	0	1	412.490	3.451	50	5		HGBAMN
Cc1n[nH]c(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1[N+](=O)[O-]	ZINC000096011861	568684226	/nfs/dbraw/zinc/68/42/26/568684226.db2.gz	IJDBGDRZVDQXTP-KRWDZBQOSA-N	0	1	407.421	3.250	50	5		HGBAMN
Cc1cccc(C)c1N1CCN(CC[C@H]2Oc3cc([N+](=O)[O-])ccc3NC2=O)CC1	ZINC000052525213	568769335	/nfs/dbraw/zinc/76/93/35/568769335.db2.gz	OKCKWRUPHWZSTL-LJQANCHMSA-N	0	1	410.474	3.123	50	5		HGBAMN
COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000005845962	568825700	/nfs/dbraw/zinc/82/57/00/568825700.db2.gz	IIGGGPLKXHNVAE-OAHLLOKOSA-N	0	1	407.835	3.474	50	5		HGBAMN
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1	ZINC000003313109	568878657	/nfs/dbraw/zinc/87/86/57/568878657.db2.gz	GWWDOVAUHJTJNP-UHFFFAOYSA-N	0	1	417.399	3.250	50	5		HGBAMN
COc1ccc(C2=NC(=O)C(CC(=O)Nc3cc([N+](=O)[O-])ccc3OC)S2)cc1	ZINC000006886474	569169625	/nfs/dbraw/zinc/16/96/25/569169625.db2.gz	PSMDJUMPQOYKQQ-MRXNPFEDSA-N	0	1	415.427	3.029	50	5		HGBAMN
CCOC(=O)[C@@H]1N[C@H](c2ccc(OC)cc2)C([N+](=O)[O-])[C@@H]1c1cn(C)c2ccccc12	ZINC000230221708	568855843	/nfs/dbraw/zinc/85/58/43/568855843.db2.gz	RHWPUZZDWGKMKK-GXRSIYKFSA-N	0	1	423.469	3.192	50	5		HGBAMN
COc1cc(C=C(C(=O)NCCC(C)C)C(=O)NCCC(C)C)cc([N+](=O)[O-])c1O	ZINC000016410323	569041805	/nfs/dbraw/zinc/04/18/05/569041805.db2.gz	IHKRCEXQDPLHGD-UHFFFAOYSA-N	0	1	421.494	3.017	50	5		HGBAMN
Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c(O)c12	ZINC000007424079	569237728	/nfs/dbraw/zinc/23/77/28/569237728.db2.gz	XEYGOZICRWEKHN-UHFFFAOYSA-N	0	1	407.361	3.322	50	5		HGBAMN
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccccc1)C2=O	ZINC000009433935	132339898	/nfs/dbraw/zinc/33/98/98/132339898.db2.gz	WAKKQIBHJFCIGR-XMSQKQJNSA-N	0	1	422.441	3.025	50	5		HGBAMN
O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccccc3)c2)c1	ZINC000001136817	558775301	/nfs/dbraw/zinc/77/53/01/558775301.db2.gz	VQUKWCWEGPQDDF-UHFFFAOYSA-N	0	1	418.452	3.228	50	5		HGBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(I)c2)c1	ZINC000004957256	559215308	/nfs/dbraw/zinc/21/53/08/559215308.db2.gz	MDCFGPZGXVGMCU-UHFFFAOYSA-N	0	1	404.185	3.000	50	5		HGBAMN
CCCCOc1ccc(N2C(=O)C3ON=C(c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	ZINC000103140262	560838764	/nfs/dbraw/zinc/83/87/64/560838764.db2.gz	SKEXRTWFRRASLF-PKOBYXMFSA-N	0	1	409.398	3.066	50	5		HGBAMN
CC1CCN(C(=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)CC1	ZINC000012464042	568837836	/nfs/dbraw/zinc/83/78/36/568837836.db2.gz	OXOAPYYCILWFSN-SFHVURJKSA-N	0	1	417.849	3.092	50	5		HGBAMN
Cc1c(CN2CCSCC2)cccc1NC(=O)COc1cccc([N+](=O)[O-])c1	ZINC000058157638	568893581	/nfs/dbraw/zinc/89/35/81/568893581.db2.gz	GCTGLJUVQAEQRN-UHFFFAOYSA-N	0	1	401.488	3.470	50	5		HGBAMN
CCN1CCN(c2nn3c(=O)c4c5c(sc4nc3c3ccccc32)CCCC5)CC1	ZINC000000719354	132231769	/nfs/dbraw/zinc/23/17/69/132231769.db2.gz	ZLSYFZDMGPIZHI-UHFFFAOYSA-N	0	1	419.554	3.478	50	5		HGBAMN
COc1ccc(-c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)nn1	ZINC000005204248	560538527	/nfs/dbraw/zinc/53/85/27/560538527.db2.gz	PEZIAHZIWLZHQU-UHFFFAOYSA-N	0	1	400.416	3.170	50	5		HGBAMN
CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OCC	ZINC000002878302	568813978	/nfs/dbraw/zinc/81/39/78/568813978.db2.gz	SBDCNNUEDZAOFJ-LJQANCHMSA-N	0	1	411.414	3.322	50	5		HGBAMN
CCOc1cc2c(cc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)O[C@H](C)C2	ZINC000012560469	568858392	/nfs/dbraw/zinc/85/83/92/568858392.db2.gz	WXJBZPDZAKAHAK-LLVKDONJSA-N	0	1	408.432	3.126	50	5		HGBAMN
CCOc1ccc(-c2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)nn1	ZINC000004270378	568956619	/nfs/dbraw/zinc/95/66/19/568956619.db2.gz	JWUKYRVZJLFUQM-UHFFFAOYSA-N	0	1	400.416	3.251	50	5		HGBAMN
COc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1	ZINC000008867658	571129388	/nfs/dbraw/zinc/12/93/88/571129388.db2.gz	UKIAPMXBYWZAOC-OAQYLSRUSA-N	0	1	413.474	3.326	50	5		HGBAMN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1ccccc1	ZINC000008971892	132334325	/nfs/dbraw/zinc/33/43/25/132334325.db2.gz	FPTLILCQASKCBJ-UTKZUKDTSA-N	0	1	406.398	3.229	50	5		HGBAMN
CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])ccc1Cl	ZINC000245225477	521496408	/nfs/dbraw/zinc/49/64/08/521496408.db2.gz	VWVHWFQLQCLAOX-GOEBONIOSA-N	0	1	423.878	3.159	50	5		HGBAMN
O=C1NC(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)N1	ZINC000014011322	559141677	/nfs/dbraw/zinc/14/16/77/559141677.db2.gz	QRRYDVMXAAMZPU-RIYZIHGNSA-N	0	1	418.203	3.117	50	5		HGBAMN
O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccccc1[N+](=O)[O-]	ZINC000020739395	568641197	/nfs/dbraw/zinc/64/11/97/568641197.db2.gz	GLZYBAPMUPOAIU-AWEZNQCLSA-N	0	1	412.793	3.029	50	5		HGBAMN
CCOc1cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c([N+](=O)[O-])cc1OC	ZINC000012776382	568954777	/nfs/dbraw/zinc/95/47/77/568954777.db2.gz	UYQVTXMRFBNXQC-KRWDZBQOSA-N	0	1	405.426	3.174	50	5		HGBAMN
O=C(c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)N1CCCCCC1)n1cc(Cl)ccc1=O	ZINC000009762968	571284676	/nfs/dbraw/zinc/28/46/76/571284676.db2.gz	XVTXYVSBDWPZSA-SFHVURJKSA-N	0	1	417.849	3.237	50	5		HGBAMN
COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)cc1SC	ZINC000072301388	558751146	/nfs/dbraw/zinc/75/11/46/558751146.db2.gz	ZXQUTUXSXSKMEW-UHFFFAOYSA-N	0	1	416.459	3.497	50	5		HGBAMN
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@H]12)N1CCCC1	ZINC000104919746	560856810	/nfs/dbraw/zinc/85/68/10/560856810.db2.gz	CVJXMNFDINJMNG-JTHBVZDNSA-N	0	1	420.513	3.080	50	5		HGBAMN
C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N1CCN(C)CC1	ZINC000004270914	568956785	/nfs/dbraw/zinc/95/67/85/568956785.db2.gz	TVKBNPXOSYBYAA-UZLBHIALSA-N	0	1	413.547	3.258	50	5		HGBAMN
CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1Cl	ZINC000245225476	571217627	/nfs/dbraw/zinc/21/76/27/571217627.db2.gz	VWVHWFQLQCLAOX-GDBMZVCRSA-N	0	1	423.878	3.159	50	5		HGBAMN
CC(C)c1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1	ZINC000013684637	558854505	/nfs/dbraw/zinc/85/45/05/558854505.db2.gz	XFTQRQAYSLSXPM-UHFFFAOYSA-N	0	1	400.258	3.330	50	5		HGBAMN
CC(C)c1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n[nH]1	ZINC000013684637	558854507	/nfs/dbraw/zinc/85/45/07/558854507.db2.gz	XFTQRQAYSLSXPM-UHFFFAOYSA-N	0	1	400.258	3.330	50	5		HGBAMN
O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100811527	559268903	/nfs/dbraw/zinc/26/89/03/559268903.db2.gz	BKHSDLWFIAYXPL-UHFFFAOYSA-N	0	1	416.331	3.182	50	5		HGBAMN
O=C1NC(=O)/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)N1	ZINC000001167445	568775455	/nfs/dbraw/zinc/77/54/55/568775455.db2.gz	AJOGEPNBRSANJX-RIYZIHGNSA-N	0	1	418.203	3.117	50	5		HGBAMN
O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccc(C(F)(F)F)cc2)n[nH]1	ZINC000225700662	568779296	/nfs/dbraw/zinc/77/92/96/568779296.db2.gz	RSISERYUDGZSTG-UHFFFAOYSA-N	0	1	407.308	3.416	50	5		HGBAMN
CC(C)CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@@H]12	ZINC000169677333	569125394	/nfs/dbraw/zinc/12/53/94/569125394.db2.gz	DCUPWDOSDJOORF-GMAHTHKFSA-N	0	1	422.529	3.230	50	5		HGBAMN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)ccc1Cl	ZINC000008861457	571128664	/nfs/dbraw/zinc/12/86/64/571128664.db2.gz	XXJXFTWRCQHCRB-UHFFFAOYSA-N	0	1	414.230	3.283	50	5		HGBAMN
O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCN(Cc2cccs2)CC1	ZINC000040134012	571181232	/nfs/dbraw/zinc/18/12/32/571181232.db2.gz	MADZDPWKVIDWPY-UHFFFAOYSA-N	0	1	411.487	3.190	50	5		HGBAMN
CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1	ZINC000009467635	571261318	/nfs/dbraw/zinc/26/13/18/571261318.db2.gz	SIPCFLHFZLBYLL-UHFFFAOYSA-N	0	1	417.365	3.051	50	5		HGBAMN
CCN1CCN(c2nn3c(=O)c4c5c(sc4nc3c3ccccc32)CCC5)CC1	ZINC000000944684	521702001	/nfs/dbraw/zinc/70/20/01/521702001.db2.gz	ZJCAGQPTFRTUGA-UHFFFAOYSA-N	0	1	405.527	3.088	50	5		HGBAMN
CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000013546557	558842391	/nfs/dbraw/zinc/84/23/91/558842391.db2.gz	NHBPXALMWFQPGC-OVCLIPMQSA-N	0	1	417.805	3.406	50	5		HGBAMN
CCOc1ccc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)nn1	ZINC000005204328	560538459	/nfs/dbraw/zinc/53/84/59/560538459.db2.gz	JIPDQRTURCTCRJ-UHFFFAOYSA-N	0	1	400.416	3.251	50	5		HGBAMN
Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)c3nnc[nH]3)c([N+](=O)[O-])c2)c(C)c1	ZINC000095455211	568616763	/nfs/dbraw/zinc/61/67/63/568616763.db2.gz	IXRMIZMZFPXVDA-CYBMUJFWSA-N	0	1	416.463	3.304	50	5		HGBAMN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(I)cc1F	ZINC000095634839	568640368	/nfs/dbraw/zinc/64/03/68/568640368.db2.gz	QMAOYUJLCXFJPR-UHFFFAOYSA-N	0	1	422.175	3.139	50	5		HGBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)cc1	ZINC000012631462	568883444	/nfs/dbraw/zinc/88/34/44/568883444.db2.gz	GPOPBUZAXJBXPS-UHFFFAOYSA-N	0	1	413.459	3.381	50	5		HGBAMN
COc1cccc(C2=NC(=O)C(CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])S2)c1	ZINC000006510437	569062103	/nfs/dbraw/zinc/06/21/03/569062103.db2.gz	NAPLPFMAMQEVEA-MRXNPFEDSA-N	0	1	415.427	3.029	50	5		HGBAMN
COc1ccc(C2=NC(=O)C(CC(=O)Nc3cc([N+](=O)[O-])ccc3OC)S2)cc1	ZINC000006886473	569169652	/nfs/dbraw/zinc/16/96/52/569169652.db2.gz	PSMDJUMPQOYKQQ-INIZCTEOSA-N	0	1	415.427	3.029	50	5		HGBAMN
O=C1NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)N1	ZINC000009892652	569394358	/nfs/dbraw/zinc/39/43/58/569394358.db2.gz	LDKOASKFSPZBMN-RIYZIHGNSA-N	0	1	418.203	3.117	50	5		HGBAMN
O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2CCCN2CCOCC2)cc1	ZINC000019891166	569433147	/nfs/dbraw/zinc/43/31/47/569433147.db2.gz	KTGLQRNFKLVNTO-UHFFFAOYSA-N	0	1	418.457	3.277	50	5		HGBAMN
COc1ccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1	ZINC000008867661	571129402	/nfs/dbraw/zinc/12/94/02/571129402.db2.gz	UKIAPMXBYWZAOC-NRFANRHFSA-N	0	1	413.474	3.326	50	5		HGBAMN
O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1cccc([N+](=O)[O-])c1	ZINC000031813513	527154101	/nfs/dbraw/zinc/15/41/01/527154101.db2.gz	CVMRURWLSYGBGR-AWEZNQCLSA-N	0	1	412.793	3.029	50	5		HGBAMN
COc1ccc(CCNc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])cc1OC	ZINC000004687379	536844016	/nfs/dbraw/zinc/84/40/16/536844016.db2.gz	BODYEEATMVHDSX-UHFFFAOYSA-N	0	1	400.479	3.018	50	5		HGBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1	ZINC000005652810	560637066	/nfs/dbraw/zinc/63/70/66/560637066.db2.gz	RHYYFXIZYDVAKT-UHFFFAOYSA-N	0	1	413.459	3.381	50	5		HGBAMN
O=C(c1cccc([N+](=O)[O-])c1)[C@H](C(=O)N1CCCCCC1)n1cc(Cl)ccc1=O	ZINC000009762969	571284607	/nfs/dbraw/zinc/28/46/07/571284607.db2.gz	XVTXYVSBDWPZSA-GOSISDBHSA-N	0	1	417.849	3.237	50	5		HGBAMN
CCc1ccc(NS(=O)(=O)c2cn(CC(=O)OC)c3ccc([N+](=O)[O-])cc23)cc1	ZINC000020558012	523996295	/nfs/dbraw/zinc/99/62/95/523996295.db2.gz	AYXALBXKHBRPRY-UHFFFAOYSA-N	0	1	417.443	3.086	50	5		HGBAMN
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccccc1)C2=O	ZINC000009433936	535496802	/nfs/dbraw/zinc/49/68/02/535496802.db2.gz	WAKKQIBHJFCIGR-PGRDOPGGSA-N	0	1	422.441	3.025	50	5		HGBAMN
COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000001167394	568775344	/nfs/dbraw/zinc/77/53/44/568775344.db2.gz	NFSMGAOJOVTQRA-VGOFMYFVSA-N	0	1	403.778	3.016	50	5		HGBAMN
O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	ZINC000002765992	568807034	/nfs/dbraw/zinc/80/70/34/568807034.db2.gz	CEPMQHAKRKONJS-UHFFFAOYSA-N	0	1	402.235	3.380	50	5		HGBAMN
CC1CCN(C(=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)CC1	ZINC000012464039	568837878	/nfs/dbraw/zinc/83/78/78/568837878.db2.gz	OXOAPYYCILWFSN-GOSISDBHSA-N	0	1	417.849	3.092	50	5		HGBAMN
CC(=O)N1CCCSc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)cc21	ZINC000064952014	569132528	/nfs/dbraw/zinc/13/25/28/569132528.db2.gz	DJTRENJTIIIGSR-UHFFFAOYSA-N	0	1	407.473	3.244	50	5		HGBAMN
CCCNC(=O)CSc1nnc(SCc2cc(O)ccc2[N+](=O)[O-])s1	ZINC000253426422	569368289	/nfs/dbraw/zinc/36/82/89/569368289.db2.gz	ZZVXUNAMUUMPBA-UHFFFAOYSA-N	0	1	400.507	3.063	50	5		HGBAMN