smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000004865351	204084765	/nfs/dbraw/zinc/08/47/65/204084765.db2.gz	PWTLJBQZYZAQFI-UHFFFAOYSA-N	0	2	397.840	3.187	10	5		GGBELN
O=C(c1cnn(-c2ccccc2[N+](=O)[O-])c1)c1cc(Br)ccc1O	ZINC000002645846	564188833	/nfs/dbraw/zinc/18/88/33/564188833.db2.gz	HPVXGKLWYBTZOS-UHFFFAOYSA-N	0	2	388.177	3.480	10	5		GGBELN
COC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)c([N+](=O)[O-])c1	ZINC000028196192	564360771	/nfs/dbraw/zinc/36/07/71/564360771.db2.gz	ODWJSPQHHBGNIV-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(F)(F)F)s1	ZINC000122023924	564397368	/nfs/dbraw/zinc/39/73/68/564397368.db2.gz	FMOMROVWGISKJA-SNVBAGLBSA-N	0	2	380.369	3.108	10	5		GGBELN
COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000032587588	564402853	/nfs/dbraw/zinc/40/28/53/564402853.db2.gz	HHVOAIOHUNLGDS-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
COC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C	ZINC000055583183	564624170	/nfs/dbraw/zinc/62/41/70/564624170.db2.gz	DZBITIQVWANZMU-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
CC(=O)Nc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)sc2c1	ZINC000063911733	564725349	/nfs/dbraw/zinc/72/53/49/564725349.db2.gz	AOVSMFWFKQFTPD-UHFFFAOYSA-N	0	2	398.447	3.025	10	5		GGBELN
CCCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(I)c1	ZINC000084744413	564869194	/nfs/dbraw/zinc/86/91/94/564869194.db2.gz	VSLABSPYEUKNPL-CHWSQXEVSA-N	0	2	388.205	3.090	10	5		GGBELN
C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000183900504	565102812	/nfs/dbraw/zinc/10/28/12/565102812.db2.gz	WGYTUPFUANRORD-SECBINFHSA-N	0	2	381.182	3.469	10	5		GGBELN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2cccc(Br)c2C1	ZINC000186678036	565276932	/nfs/dbraw/zinc/27/69/32/565276932.db2.gz	LSMWIWNEYRIBDI-UHFFFAOYSA-N	0	2	377.194	3.261	10	5		GGBELN
COc1ccc(Br)cc1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000166139703	565373063	/nfs/dbraw/zinc/37/30/63/565373063.db2.gz	REBKKZBZXXFYSF-UHFFFAOYSA-N	0	2	381.182	3.253	10	5		GGBELN
O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1cc(O)ccc1[N+](=O)[O-]	ZINC000375809554	565406781	/nfs/dbraw/zinc/40/67/81/565406781.db2.gz	SZPYVLKUMLQNRE-LBPRGKRZSA-N	0	2	397.156	3.066	10	5		GGBELN
O=C(c1cc([N+](=O)[O-])ccc1O)N1CCc2cccc(Br)c2C1	ZINC000182029015	566179581	/nfs/dbraw/zinc/17/95/81/566179581.db2.gz	XTYZCDSRQGCION-UHFFFAOYSA-N	0	2	377.194	3.261	10	5		GGBELN
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ncn(C2CCCCC2)n1	ZINC000182567650	566211941	/nfs/dbraw/zinc/21/19/41/566211941.db2.gz	PXMVGVMKSRJVQV-UHFFFAOYSA-N	0	2	385.833	3.146	10	5		GGBELN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)ccc1Cl	ZINC000182566380	566212073	/nfs/dbraw/zinc/21/20/73/566212073.db2.gz	LPESYTZEBDYIDR-UHFFFAOYSA-N	0	2	385.833	3.146	10	5		GGBELN
COc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1Br	ZINC000509194342	566274767	/nfs/dbraw/zinc/27/47/67/566274767.db2.gz	GYGBGFYWLDBGQY-UHFFFAOYSA-N	0	2	381.182	3.002	10	5		GGBELN
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1	ZINC000556571123	566315107	/nfs/dbraw/zinc/31/51/07/566315107.db2.gz	TYFGWOJOXXRDPI-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
Cc1c(Br)cc(C(=O)N=c2nc(C3(C)CC3)[nH]s2)cc1[N+](=O)[O-]	ZINC000600227785	566326711	/nfs/dbraw/zinc/32/67/11/566326711.db2.gz	MYZCMIUWAPIBSL-UHFFFAOYSA-N	0	2	397.254	3.243	10	5		GGBELN
CC1(c2nc(=NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])s[nH]2)CC1	ZINC000600228307	566326981	/nfs/dbraw/zinc/32/69/81/566326981.db2.gz	UWGZUWKHEJAIIM-UHFFFAOYSA-N	0	2	384.870	3.304	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2c[nH]nc2-c2nccs2)cc1[N+](=O)[O-]	ZINC000446956879	566373451	/nfs/dbraw/zinc/37/34/51/566373451.db2.gz	JGYBQBDRHDLMTM-UHFFFAOYSA-N	0	2	399.841	3.204	10	5		GGBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1=Cc2cc(Br)ccc2OC1	ZINC000483443287	566384132	/nfs/dbraw/zinc/38/41/32/566384132.db2.gz	LRPPCJIINHFKLJ-UHFFFAOYSA-N	0	2	391.177	3.477	10	5		GGBELN
CN(Cc1ccccc1[N+](=O)[O-])C(=O)N=c1nc(-c2ccsc2)[nH]s1	ZINC000448012989	566455200	/nfs/dbraw/zinc/45/52/00/566455200.db2.gz	SLEKHZUOSMVJHI-UHFFFAOYSA-N	0	2	375.435	3.261	10	5		GGBELN
CCc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)s1	ZINC000486013649	566548820	/nfs/dbraw/zinc/54/88/20/566548820.db2.gz	FCYGTGMEWXJXMM-UHFFFAOYSA-N	0	2	384.435	3.115	10	5		GGBELN
O=C(NC1(c2cccc(Br)c2)CC1)c1cccc(O)c1[N+](=O)[O-]	ZINC000539431866	566582214	/nfs/dbraw/zinc/58/22/14/566582214.db2.gz	CSEJCSVPTWFCGG-UHFFFAOYSA-N	0	2	377.194	3.482	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2nc3cc(F)ccc3[nH]2)cc1[N+](=O)[O-]	ZINC000486554824	566598134	/nfs/dbraw/zinc/59/81/34/566598134.db2.gz	FISDGDQOLCSTLF-UHFFFAOYSA-N	0	2	384.776	3.373	10	5		GGBELN
O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000560466269	566628543	/nfs/dbraw/zinc/62/85/43/566628543.db2.gz	VLSLXHGYXSEWHP-JSGCOSHPSA-N	0	2	377.194	3.349	10	5		GGBELN
CC(=O)N(C)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000609819690	566788852	/nfs/dbraw/zinc/78/88/52/566788852.db2.gz	XKWATRNBTSZVRI-UHFFFAOYSA-N	0	2	383.813	3.032	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)c(SC)c(F)c1	ZINC000543163866	566858923	/nfs/dbraw/zinc/85/89/23/566858923.db2.gz	FFVMLGMXICJVPS-UHFFFAOYSA-N	0	2	390.389	3.404	10	5		GGBELN
Cc1c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n[nH]c1C(F)(F)F	ZINC000611101856	566889906	/nfs/dbraw/zinc/88/99/06/566889906.db2.gz	GYZJCHVTARKGSY-UHFFFAOYSA-N	0	2	398.750	3.408	10	5		GGBELN
COc1cc(C)c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC	ZINC000491068587	566891546	/nfs/dbraw/zinc/89/15/46/566891546.db2.gz	VINLQJRIJWUWAY-UHFFFAOYSA-N	0	2	386.813	3.375	10	5		GGBELN
CCc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1[N+](=O)[O-]	ZINC000582785623	566893227	/nfs/dbraw/zinc/89/32/27/566893227.db2.gz	LGWMACLEWIFXQT-UHFFFAOYSA-N	0	2	381.357	3.433	10	5		GGBELN
CN1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])c2ccc(Br)cc21	ZINC000587972454	567106715	/nfs/dbraw/zinc/10/67/15/567106715.db2.gz	IOGOUNRTBXVPRU-UHFFFAOYSA-N	0	2	392.209	3.160	10	5		GGBELN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCCC1(F)F	ZINC000588144809	567117296	/nfs/dbraw/zinc/11/72/96/567117296.db2.gz	VQPCZEDBLZGFNV-SECBINFHSA-N	0	2	375.180	3.368	10	5		GGBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnc2ncc(Br)cc2c1	ZINC000614923532	567147485	/nfs/dbraw/zinc/14/74/85/567147485.db2.gz	BIQWUJIMPRURQI-UHFFFAOYSA-N	0	2	389.165	3.258	10	5		GGBELN
O=C(Nc1nccc2cc(Br)ccc21)c1ccc([N+](=O)[O-])c(O)c1	ZINC000590384352	567223008	/nfs/dbraw/zinc/22/30/08/567223008.db2.gz	IMUGABPTZRSRSC-UHFFFAOYSA-N	0	2	388.177	3.285	10	5		GGBELN
C[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC(F)F	ZINC000592067758	567312660	/nfs/dbraw/zinc/31/26/60/567312660.db2.gz	OSDUTSFQXCTJHM-ZCFIWIBFSA-N	0	2	377.196	3.471	10	5		GGBELN
Cc1cc(I)ccc1NC(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000503475151	567487253	/nfs/dbraw/zinc/48/72/53/567487253.db2.gz	RWKQMBWSWVNHDM-UHFFFAOYSA-N	0	2	398.156	3.466	10	5		GGBELN
C[C@@]1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1(F)F	ZINC000594849993	567520945	/nfs/dbraw/zinc/52/09/45/567520945.db2.gz	BLPAUSWDMAQWIW-JTQLQIEISA-N	0	2	375.180	3.225	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C)c(C(F)(F)F)s1	ZINC000570908304	567522707	/nfs/dbraw/zinc/52/27/07/567522707.db2.gz	KPQSJDWAEZOFKQ-UHFFFAOYSA-N	0	2	397.356	3.188	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(O)cc(F)c2)c(Br)c1	ZINC000504292989	567528145	/nfs/dbraw/zinc/52/81/45/567528145.db2.gz	HWWYUVATJHKFCM-UHFFFAOYSA-N	0	2	391.174	3.003	10	5		GGBELN
COc1ccc(Br)c(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])c1	ZINC000552521818	567595720	/nfs/dbraw/zinc/59/57/20/567595720.db2.gz	UEAFJWYANIEFRK-UHFFFAOYSA-N	0	2	395.209	3.344	10	5		GGBELN
Cc1sc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2O)cc1[N+](=O)[O-]	ZINC000442840518	567711493	/nfs/dbraw/zinc/71/14/93/567711493.db2.gz	LIEQNCIOKOXLKL-UHFFFAOYSA-N	0	2	398.340	3.370	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)c(F)c1	ZINC000508086434	567728067	/nfs/dbraw/zinc/72/80/67/567728067.db2.gz	RLFFKVCJPBHZMJ-UHFFFAOYSA-N	0	2	380.382	3.053	10	5		GGBELN
Cc1ccc(S(=O)(=O)Nc2csc(-c3ccccn3)n2)cc1[N+](=O)[O-]	ZINC000508094841	567728675	/nfs/dbraw/zinc/72/86/75/567728675.db2.gz	JBLCZAGHQMAYQP-UHFFFAOYSA-N	0	2	376.419	3.223	10	5		GGBELN
O=C(Nc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)c1ccco1	ZINC000012526286	570831160	/nfs/dbraw/zinc/83/11/60/570831160.db2.gz	CITBTFCTNIZRPN-UHFFFAOYSA-N	0	2	387.373	3.241	10	5		GGBELN
C[C@H](NC(=O)c1cc([N+](=O)[O-])c(O)cc1N)c1ccccc1Br	ZINC000170597743	570856251	/nfs/dbraw/zinc/85/62/51/570856251.db2.gz	MOFZSGGGVLSHAP-QMMMGPOBSA-N	0	2	380.198	3.136	10	5		GGBELN
CCCCN(C(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1cccc(I)c1	ZINC000084744415	208098406	/nfs/dbraw/zinc/09/84/06/208098406.db2.gz	VSLABSPYEUKNPL-QWHCGFSZSA-N	0	2	388.205	3.090	10	5		GGBELN
O=C(Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-])c1cc(Cl)ccc1O	ZINC000090484871	136175948	/nfs/dbraw/zinc/17/59/48/136175948.db2.gz	NNQRWQJBDCYAOE-UHFFFAOYSA-N	0	2	377.784	3.043	10	5		GGBELN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2cccc(Br)c2C1	ZINC000118529600	564241613	/nfs/dbraw/zinc/24/16/13/564241613.db2.gz	SMNBFEIGHWOFBW-UHFFFAOYSA-N	0	2	377.194	3.261	10	5		GGBELN
COc1cc(OC)c(NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])cc1Cl	ZINC000008940614	564251450	/nfs/dbraw/zinc/25/14/50/564251450.db2.gz	RMMTYURMJNWHBH-UHFFFAOYSA-N	0	2	390.776	3.205	10	5		GGBELN
COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000016094773	564290807	/nfs/dbraw/zinc/29/08/07/564290807.db2.gz	SFMWKOFSMQNWAB-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
COc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)ccc1[N+](=O)[O-]	ZINC000121383165	564366531	/nfs/dbraw/zinc/36/65/31/564366531.db2.gz	QGPYOGPXLHXMPG-UHFFFAOYSA-N	0	2	378.193	3.106	10	5		GGBELN
COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000047521776	564521654	/nfs/dbraw/zinc/52/16/54/564521654.db2.gz	CJVJQTRCUUBWEO-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
Cc1nc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc(C2CC2)n1	ZINC000127462659	564584365	/nfs/dbraw/zinc/58/43/65/564584365.db2.gz	UQIOTRIKDKMABO-UHFFFAOYSA-N	0	2	382.829	3.333	10	5		GGBELN
Cc1nccc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)c2)n1	ZINC000063911907	564725631	/nfs/dbraw/zinc/72/56/31/564725631.db2.gz	ZEKHMYKPFJDZFD-UHFFFAOYSA-N	0	2	376.419	3.223	10	5		GGBELN
CC1(C)Cc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)sc2C(=O)C1	ZINC000066247115	564758519	/nfs/dbraw/zinc/75/85/19/564758519.db2.gz	CACOUIJLULNHBT-UHFFFAOYSA-N	0	2	387.464	3.069	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cc[nH+]c3)c(Cl)c2)s1	ZINC000102907598	564939193	/nfs/dbraw/zinc/93/91/93/564939193.db2.gz	RVXMHORNIBGFIK-UHFFFAOYSA-N	0	2	384.826	3.296	10	5		GGBELN
C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000155948679	565073135	/nfs/dbraw/zinc/07/31/35/565073135.db2.gz	SBIDORMZBGNEHC-VIFPVBQESA-N	0	2	381.182	3.469	10	5		GGBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1COc2ccc(Br)cc21	ZINC000155959107	565073267	/nfs/dbraw/zinc/07/32/67/565073267.db2.gz	QPXGMXMLODWPOT-LLVKDONJSA-N	0	2	379.166	3.178	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2nnc(C(F)F)s2)cc1[N+](=O)[O-]	ZINC000160487962	565247705	/nfs/dbraw/zinc/24/77/05/565247705.db2.gz	MFPANRHQXOIKQT-UHFFFAOYSA-N	0	2	384.773	3.147	10	5		GGBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1(c2cncc(Br)c2)CC1	ZINC000409904922	565649016	/nfs/dbraw/zinc/64/90/16/565649016.db2.gz	AFDSVSWHJYCEDR-UHFFFAOYSA-N	0	2	378.182	3.128	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1[N+](=O)[O-]	ZINC000177092289	565827270	/nfs/dbraw/zinc/82/72/70/565827270.db2.gz	SONWGNBJKQMABX-UHFFFAOYSA-N	0	2	378.797	3.301	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2nnc(CC(C)(C)C)o2)cc1[N+](=O)[O-]	ZINC000194867037	565844661	/nfs/dbraw/zinc/84/46/61/565844661.db2.gz	YPMXCWKRFKWKKL-UHFFFAOYSA-N	0	2	388.833	3.329	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2cnc(CC3CC3)nc2)cc1[N+](=O)[O-]	ZINC000556316062	566283361	/nfs/dbraw/zinc/28/33/61/566283361.db2.gz	PZMFBBQRNDDGNB-UHFFFAOYSA-N	0	2	382.829	3.100	10	5		GGBELN
Cc1sc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)cc1[N+](=O)[O-]	ZINC000509389961	566298854	/nfs/dbraw/zinc/29/88/54/566298854.db2.gz	WAMNMJITGKXXCM-UHFFFAOYSA-N	0	2	381.357	3.488	10	5		GGBELN
O=C(COc1ccc(F)cc1Br)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000483451160	566385408	/nfs/dbraw/zinc/38/54/08/566385408.db2.gz	UKINBRUAPRTFFU-UHFFFAOYSA-N	0	2	385.145	3.220	10	5		GGBELN
COC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C	ZINC000603483977	566528569	/nfs/dbraw/zinc/52/85/69/566528569.db2.gz	TUUWWASFRVGKOY-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
Cc1ccc(S(=O)(=O)Nc2cc(-c3ccsc3)nn2C)cc1[N+](=O)[O-]	ZINC000486569321	566599223	/nfs/dbraw/zinc/59/92/23/566599223.db2.gz	ZOUCCVCZCMYUQY-UHFFFAOYSA-N	0	2	378.435	3.166	10	5		GGBELN
O=C(Nc1cccc(I)c1)c1cccc(O)c1[N+](=O)[O-]	ZINC000539877513	566610506	/nfs/dbraw/zinc/61/05/06/566610506.db2.gz	GIQRPYKDRIPLBS-UHFFFAOYSA-N	0	2	384.129	3.157	10	5		GGBELN
C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1ccc(Br)cc1	ZINC000513617805	566613227	/nfs/dbraw/zinc/61/32/27/566613227.db2.gz	ZWPKKGYWRKVOMC-JTQLQIEISA-N	0	2	395.209	3.260	10	5		GGBELN
O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000560466270	566628556	/nfs/dbraw/zinc/62/85/56/566628556.db2.gz	VLSLXHGYXSEWHP-OCCSQVGLSA-N	0	2	377.194	3.349	10	5		GGBELN
COC(=O)c1ccsc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000540697803	566667056	/nfs/dbraw/zinc/66/70/56/566667056.db2.gz	XKUKTXQKBJQCDU-UHFFFAOYSA-N	0	2	390.826	3.206	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2nc(C)sc2c1	ZINC000427098960	566746153	/nfs/dbraw/zinc/74/61/53/566746153.db2.gz	DOBBEIJJRPFUHQ-UHFFFAOYSA-N	0	2	379.419	3.322	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nn2)cc1[N+](=O)[O-]	ZINC000468997773	566752108	/nfs/dbraw/zinc/75/21/08/566752108.db2.gz	PFCUNEVQZFZZJG-UHFFFAOYSA-N	0	2	396.734	3.166	10	5		GGBELN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(C)=O)c(Cl)c1	ZINC000542093410	566775767	/nfs/dbraw/zinc/77/57/67/566775767.db2.gz	KBCYAWQLDNFWTF-UHFFFAOYSA-N	0	2	384.797	3.260	10	5		GGBELN
CSc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)ccn1	ZINC000613343541	567032039	/nfs/dbraw/zinc/03/20/39/567032039.db2.gz	KMTFBVSFCXONPF-UHFFFAOYSA-N	0	2	376.419	3.061	10	5		GGBELN
O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2sc(Br)cc2C1	ZINC000586799670	567097832	/nfs/dbraw/zinc/09/78/32/567097832.db2.gz	PUJHUPQAMYCQAK-UHFFFAOYSA-N	0	2	383.223	3.323	10	5		GGBELN
Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cnccc1C(F)(F)F	ZINC000473772216	567101185	/nfs/dbraw/zinc/10/11/85/567101185.db2.gz	JMTAQESXWLPZFE-UHFFFAOYSA-N	0	2	375.328	3.426	10	5		GGBELN
Cc1cc(I)ccc1NC(=O)c1cccc(O)c1[N+](=O)[O-]	ZINC000566369316	567153719	/nfs/dbraw/zinc/15/37/19/567153719.db2.gz	WYVJUWFTRRYPCZ-UHFFFAOYSA-N	0	2	398.156	3.466	10	5		GGBELN
O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cc(O)ccc1[N+](=O)[O-]	ZINC000567069347	567215151	/nfs/dbraw/zinc/21/51/51/567215151.db2.gz	BVDZQSPPARVNPL-SMDDNHRTSA-N	0	2	377.194	3.349	10	5		GGBELN
C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1ccccc1Br	ZINC000500054881	567294626	/nfs/dbraw/zinc/29/46/26/567294626.db2.gz	XTUCOJLGESCKKH-JTQLQIEISA-N	0	2	395.209	3.260	10	5		GGBELN
C[C@H](Cc1ccccc1Br)NC(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000500866637	567350572	/nfs/dbraw/zinc/35/05/72/567350572.db2.gz	HLSQNGOBYPKXBJ-SNVBAGLBSA-N	0	2	379.210	3.424	10	5		GGBELN
COc1cccc(C(=O)N=c2nc(-c3sccc3C)[nH]s2)c1[N+](=O)[O-]	ZINC000436020320	567401274	/nfs/dbraw/zinc/40/12/74/567401274.db2.gz	ZBEMXDNWOVYHTK-UHFFFAOYSA-N	0	2	376.419	3.166	10	5		GGBELN
CCCc1nnc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1	ZINC000437162720	567479586	/nfs/dbraw/zinc/47/95/86/567479586.db2.gz	CQMAGKRPHBDIQK-UHFFFAOYSA-N	0	2	376.847	3.161	10	5		GGBELN
Cc1ccc(C)c(S(=O)(=O)Nc2nnc(CCC(C)C)s2)c1[N+](=O)[O-]	ZINC000594726621	567505205	/nfs/dbraw/zinc/50/52/05/567505205.db2.gz	QGCMFISDVWCICG-UHFFFAOYSA-N	0	2	384.483	3.453	10	5		GGBELN
O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2c(Br)ccc(F)c2C1	ZINC000504792128	567548371	/nfs/dbraw/zinc/54/83/71/567548371.db2.gz	AUHPJFBNMMQYJJ-UHFFFAOYSA-N	0	2	395.184	3.401	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)s1	ZINC000479999385	567574841	/nfs/dbraw/zinc/57/48/41/567574841.db2.gz	PRBWFLMCORYXMQ-NSHDSACASA-N	0	2	394.396	3.498	10	5		GGBELN
O=C(c1cccc(O)c1[N+](=O)[O-])N1CCc2ccc(Br)cc2C1	ZINC000552345917	567580395	/nfs/dbraw/zinc/58/03/95/567580395.db2.gz	RCXIANVZZPAELA-UHFFFAOYSA-N	0	2	377.194	3.261	10	5		GGBELN
O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2cc(Br)cc(F)c2C1	ZINC000552410732	567588826	/nfs/dbraw/zinc/58/88/26/567588826.db2.gz	RHFHIHTXLCHSBC-UHFFFAOYSA-N	0	2	395.184	3.401	10	5		GGBELN
Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N	ZINC000596020888	567598885	/nfs/dbraw/zinc/59/88/85/567598885.db2.gz	MUXVQMKAYUDERV-UHFFFAOYSA-N	0	2	387.849	3.025	10	5		GGBELN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1csc(-c2ccccn2)n1	ZINC000508080844	567726724	/nfs/dbraw/zinc/72/67/24/567726724.db2.gz	AQDJKRDVEBQKFO-UHFFFAOYSA-N	0	2	376.419	3.223	10	5		GGBELN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncc(-c2cccnc2)s1	ZINC000508108551	567730316	/nfs/dbraw/zinc/73/03/16/567730316.db2.gz	DOWQOYGQLBIVRB-UHFFFAOYSA-N	0	2	376.419	3.223	10	5		GGBELN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1csc(-c2ccccn2)n1	ZINC000508113433	567730416	/nfs/dbraw/zinc/73/04/16/567730416.db2.gz	SWOWJXAABURQTO-UHFFFAOYSA-N	0	2	376.419	3.223	10	5		GGBELN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1csc(-c2ccccn2)n1	ZINC000508109642	567730454	/nfs/dbraw/zinc/73/04/54/567730454.db2.gz	APMIRHASOKWKCR-UHFFFAOYSA-N	0	2	376.419	3.223	10	5		GGBELN
Cc1ccc(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)cc1[N+](=O)[O-]	ZINC000508134150	567733066	/nfs/dbraw/zinc/73/30/66/567733066.db2.gz	TVNXMUACOSKBRM-UHFFFAOYSA-N	0	2	376.419	3.223	10	5		GGBELN
Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cccnc1C(F)(F)F	ZINC000554686425	567742000	/nfs/dbraw/zinc/74/20/00/567742000.db2.gz	JUIAPCPCHUFPQR-UHFFFAOYSA-N	0	2	375.328	3.426	10	5		GGBELN
O=C(NCCc1cc(Br)ccc1F)c1cc(O)ccc1[N+](=O)[O-]	ZINC000508441928	567748539	/nfs/dbraw/zinc/74/85/39/567748539.db2.gz	LGKRCFZQTKOLAH-UHFFFAOYSA-N	0	2	383.173	3.175	10	5		GGBELN
COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c(OC)c1	ZINC000443412164	567754962	/nfs/dbraw/zinc/75/49/62/567754962.db2.gz	AHICZBFJMCXIMU-UHFFFAOYSA-N	0	2	386.813	3.375	10	5		GGBELN
C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(O)cc1N)c1ccccc1Br	ZINC000170597744	570856218	/nfs/dbraw/zinc/85/62/18/570856218.db2.gz	MOFZSGGGVLSHAP-MRVPVSSYSA-N	0	2	380.198	3.136	10	5		GGBELN
CCCCN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1cccc(I)c1	ZINC000084744409	211173633	/nfs/dbraw/zinc/17/36/33/211173633.db2.gz	VSLABSPYEUKNPL-OLZOCXBDSA-N	0	2	388.205	3.090	10	5		GGBELN
COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000007708661	564239688	/nfs/dbraw/zinc/23/96/88/564239688.db2.gz	WKHCQPNELWDYCK-UHFFFAOYSA-N	0	2	386.813	3.375	10	5		GGBELN
Cc1nc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)c2)no1	ZINC000119094583	564254152	/nfs/dbraw/zinc/25/41/52/564254152.db2.gz	CAEKMKGWNMCLKM-UHFFFAOYSA-N	0	2	380.407	3.124	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1sc(C)nc1CC(C)C	ZINC000122500360	564416710	/nfs/dbraw/zinc/41/67/10/564416710.db2.gz	DUSHHXTUGPMEBA-UHFFFAOYSA-N	0	2	385.467	3.368	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(F)(F)F	ZINC000108386204	565010891	/nfs/dbraw/zinc/01/08/91/565010891.db2.gz	UNURYLXDUMLCPR-UHFFFAOYSA-N	0	2	376.312	3.423	10	5		GGBELN
C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000155948792	565073282	/nfs/dbraw/zinc/07/32/82/565073282.db2.gz	SBIDORMZBGNEHC-SECBINFHSA-N	0	2	381.182	3.469	10	5		GGBELN
O=C(Cc1cccc(I)c1)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000183913282	565103309	/nfs/dbraw/zinc/10/33/09/565103309.db2.gz	ZIEGXEPJQBSENS-UHFFFAOYSA-N	0	2	398.156	3.086	10	5		GGBELN
O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1cc(O)ccc1[N+](=O)[O-]	ZINC000375809550	565406369	/nfs/dbraw/zinc/40/63/69/565406369.db2.gz	SZPYVLKUMLQNRE-GFCCVEGCSA-N	0	2	397.156	3.066	10	5		GGBELN
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(Cl)ccc1C	ZINC000328008834	565634682	/nfs/dbraw/zinc/63/46/82/565634682.db2.gz	WAKHLYVKUBLZSU-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
Cc1cc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c(C)cc1[N+](=O)[O-]	ZINC000414454632	565936521	/nfs/dbraw/zinc/93/65/21/565936521.db2.gz	OKGKTYQVQVCUIG-UHFFFAOYSA-N	0	2	381.357	3.488	10	5		GGBELN
Cc1cc(S(=O)(=O)Nc2nc3c(s2)CSCC3)c(C)cc1[N+](=O)[O-]	ZINC000414459282	565936710	/nfs/dbraw/zinc/93/67/10/565936710.db2.gz	ZHBQDSIYVYNLHS-UHFFFAOYSA-N	0	2	385.492	3.258	10	5		GGBELN
CCc1nc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cs1	ZINC000462270341	566271561	/nfs/dbraw/zinc/27/15/61/566271561.db2.gz	POXDPWOFKPLZTM-UHFFFAOYSA-N	0	2	396.277	3.399	10	5		GGBELN
COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c(Cl)c1	ZINC000509647519	566324288	/nfs/dbraw/zinc/32/42/88/566324288.db2.gz	ZIMFVKJWQRGFOV-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
COc1ccc(Br)cc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000509854659	566342258	/nfs/dbraw/zinc/34/22/58/566342258.db2.gz	XANSSMUUMJUIQI-UHFFFAOYSA-N	0	2	381.182	3.002	10	5		GGBELN
CO[C@H](CC(C)C)CS(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1	ZINC000421165427	566353056	/nfs/dbraw/zinc/35/30/56/566353056.db2.gz	MRKPKXJXTLVBDE-CYBMUJFWSA-N	0	2	395.275	3.160	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(SC)cc1OC	ZINC000446630557	566359927	/nfs/dbraw/zinc/35/99/27/566359927.db2.gz	ZKTIGHPJSSGPCF-UHFFFAOYSA-N	0	2	384.435	3.135	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)CCC2(C)C	ZINC000421254782	566360592	/nfs/dbraw/zinc/36/05/92/566360592.db2.gz	DNBLWKLZIHSTAN-UHFFFAOYSA-N	0	2	383.451	3.085	10	5		GGBELN
Cc1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1	ZINC000447011296	566378752	/nfs/dbraw/zinc/37/87/52/566378752.db2.gz	RKLDMBNUAUDUAE-UHFFFAOYSA-N	0	2	392.256	3.231	10	5		GGBELN
Cc1c(NS(=O)(=O)c2cncc(F)c2)cc(Br)cc1[N+](=O)[O-]	ZINC000485395577	566493844	/nfs/dbraw/zinc/49/38/44/566493844.db2.gz	OQKRRUKKPJPUNY-UHFFFAOYSA-N	0	2	390.190	3.001	10	5		GGBELN
Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)cc2)n1	ZINC000604408212	566564850	/nfs/dbraw/zinc/56/48/50/566564850.db2.gz	ZNWVOMBXJASMQY-UHFFFAOYSA-N	0	2	378.435	3.260	10	5		GGBELN
C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cccc(O)c1[N+](=O)[O-]	ZINC000539414966	566580652	/nfs/dbraw/zinc/58/06/52/566580652.db2.gz	VNNXMMFCNFDUBA-SNVBAGLBSA-N	0	2	379.210	3.424	10	5		GGBELN
C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1ccc(Br)cc1	ZINC000513617806	566612847	/nfs/dbraw/zinc/61/28/47/566612847.db2.gz	ZWPKKGYWRKVOMC-SNVBAGLBSA-N	0	2	395.209	3.260	10	5		GGBELN
C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1cccc(Br)c1	ZINC000513619208	566613357	/nfs/dbraw/zinc/61/33/57/566613357.db2.gz	JPUCVMGJEXECFT-SNVBAGLBSA-N	0	2	395.209	3.260	10	5		GGBELN
O=C(Nc1nc2cc(Br)ccc2[nH]1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000513629941	566614810	/nfs/dbraw/zinc/61/48/10/566614810.db2.gz	XRTNTFLHCKDNAB-UHFFFAOYSA-N	0	2	377.154	3.192	10	5		GGBELN
O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000513629941	566614817	/nfs/dbraw/zinc/61/48/17/566614817.db2.gz	XRTNTFLHCKDNAB-UHFFFAOYSA-N	0	2	377.154	3.192	10	5		GGBELN
O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000560466271	566628981	/nfs/dbraw/zinc/62/89/81/566628981.db2.gz	VLSLXHGYXSEWHP-TZMCWYRMSA-N	0	2	377.194	3.349	10	5		GGBELN
CCOc1cc(Cl)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000468865941	566738819	/nfs/dbraw/zinc/73/88/19/566738819.db2.gz	GQXZKRAMNMBKFA-UHFFFAOYSA-N	0	2	386.813	3.456	10	5		GGBELN
CN(CCc1cccc(Br)c1)C(=O)c1cccc(O)c1[N+](=O)[O-]	ZINC000428902034	566888091	/nfs/dbraw/zinc/88/80/91/566888091.db2.gz	ORAJCYSZBLNKMZ-UHFFFAOYSA-N	0	2	379.210	3.378	10	5		GGBELN
O=C(N[C@@H]1CCc2c1cccc2Br)c1cc(O)ccc1[N+](=O)[O-]	ZINC000495385301	567059082	/nfs/dbraw/zinc/05/90/82/567059082.db2.gz	KHWPOVKTBKBYDN-CQSZACIVSA-N	0	2	377.194	3.480	10	5		GGBELN
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1C	ZINC000473755226	567099327	/nfs/dbraw/zinc/09/93/27/567099327.db2.gz	DJCXJRVHIKKHGN-UHFFFAOYSA-N	0	2	381.357	3.488	10	5		GGBELN
COC(=O)c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1Br	ZINC000436980647	567472114	/nfs/dbraw/zinc/47/21/14/567472114.db2.gz	QUAIBVUTUSFKDC-UHFFFAOYSA-N	0	2	395.165	3.102	10	5		GGBELN
Cc1sc(S(=O)(=O)Nc2cnc(C(F)(F)F)c(C)c2)cc1[N+](=O)[O-]	ZINC000594698906	567500557	/nfs/dbraw/zinc/50/05/57/567500557.db2.gz	HSKMQOGMZQOIDK-UHFFFAOYSA-N	0	2	381.357	3.488	10	5		GGBELN
CC(C)CCc1nnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1	ZINC000594727105	567505181	/nfs/dbraw/zinc/50/51/81/567505181.db2.gz	XLGWVPGURACQMU-UHFFFAOYSA-N	0	2	390.874	3.489	10	5		GGBELN
CC(C)CCc1nnc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1	ZINC000594726532	567505243	/nfs/dbraw/zinc/50/52/43/567505243.db2.gz	PFEZDMCJKPFXTJ-UHFFFAOYSA-N	0	2	384.483	3.019	10	5		GGBELN
O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000552217615	567568670	/nfs/dbraw/zinc/56/86/70/567568670.db2.gz	VLSLXHGYXSEWHP-GXTWGEPZSA-N	0	2	377.194	3.349	10	5		GGBELN
Cc1cc(I)cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1	ZINC000553233953	567636446	/nfs/dbraw/zinc/63/64/46/567636446.db2.gz	OEDHFZZFSORUCG-UHFFFAOYSA-N	0	2	398.156	3.466	10	5		GGBELN
O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cccc(O)c1[N+](=O)[O-]	ZINC000553434567	567653804	/nfs/dbraw/zinc/65/38/04/567653804.db2.gz	JEDFWFURJHXSAI-ZDUSSCGKSA-N	0	2	385.203	3.461	10	5		GGBELN
O=C(NCc1cc(F)c(F)cc1Br)c1cccc(O)c1[N+](=O)[O-]	ZINC000553585461	567669543	/nfs/dbraw/zinc/66/95/43/567669543.db2.gz	BEXZKPRGEXBOKD-UHFFFAOYSA-N	0	2	387.136	3.271	10	5		GGBELN
Cc1noc2ncc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)cc12	ZINC000462107257	567773510	/nfs/dbraw/zinc/77/35/10/567773510.db2.gz	ZTPMDBNSNWCMAL-UHFFFAOYSA-N	0	2	382.785	3.202	10	5		GGBELN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[C@@H]1CC1(F)F	ZINC000598621468	567780342	/nfs/dbraw/zinc/78/03/42/567780342.db2.gz	GMZANPWDXWRQFL-ZCFIWIBFSA-N	0	2	375.180	3.225	10	5		GGBELN
Cc1ccc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)c(C)c1[N+](=O)[O-]	ZINC000598734826	567787162	/nfs/dbraw/zinc/78/71/62/567787162.db2.gz	ISIXNJDIQZUNGX-UHFFFAOYSA-N	0	2	384.483	3.453	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1	ZINC000007708246	221006550	/nfs/dbraw/zinc/00/65/50/221006550.db2.gz	YZMQFKFCQXABMW-UHFFFAOYSA-N	0	2	376.312	3.423	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1	ZINC000007708144	221007322	/nfs/dbraw/zinc/00/73/22/221007322.db2.gz	QHEAUJLPUMCTQD-UHFFFAOYSA-N	0	2	387.211	3.167	10	5		GGBELN
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)c([N+](=O)[O-])c1	ZINC000028196160	564360425	/nfs/dbraw/zinc/36/04/25/564360425.db2.gz	YPUZFFDSORIQEV-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
COc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC	ZINC000055563934	564624390	/nfs/dbraw/zinc/62/43/90/564624390.db2.gz	YNLAZSXXPKSNKT-UHFFFAOYSA-N	0	2	386.813	3.375	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CCSC)cc1	ZINC000067899578	564802547	/nfs/dbraw/zinc/80/25/47/564802547.db2.gz	DQLRZARDYPCQAN-UHFFFAOYSA-N	0	2	382.463	3.310	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)s1	ZINC000135702872	564839286	/nfs/dbraw/zinc/83/92/86/564839286.db2.gz	RYARDLZDIFAWPC-UHFFFAOYSA-N	0	2	375.431	3.443	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1[N+](=O)[O-]	ZINC000096967806	564904098	/nfs/dbraw/zinc/90/40/98/564904098.db2.gz	QCXVDELXZVOIIM-UHFFFAOYSA-N	0	2	375.859	3.359	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3ncon3)c2)c(Cl)c1	ZINC000158756907	565181439	/nfs/dbraw/zinc/18/14/39/565181439.db2.gz	YCXMVGUUHZRVPU-UHFFFAOYSA-N	0	2	380.769	3.099	10	5		GGBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1n[nH]c2ccc(Br)cc21	ZINC000186020159	565236018	/nfs/dbraw/zinc/23/60/18/565236018.db2.gz	WYEFKQUBDMSZBV-UHFFFAOYSA-N	0	2	377.154	3.192	10	5		GGBELN
CCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[nH]n1	ZINC000162350848	565315427	/nfs/dbraw/zinc/31/54/27/565315427.db2.gz	MIYGVUNEVODXGO-UHFFFAOYSA-N	0	2	378.332	3.090	10	5		GGBELN
COc1nc(C)c(Br)cc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000188329647	565395889	/nfs/dbraw/zinc/39/58/89/565395889.db2.gz	JWRNGYDQXUKFAT-UHFFFAOYSA-N	0	2	382.170	3.027	10	5		GGBELN
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)cc1C	ZINC000392857024	565567618	/nfs/dbraw/zinc/56/76/18/565567618.db2.gz	ZZQWEVHXEVWGRZ-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(Sc3ccccc3)ns2)n1	ZINC000191806952	565634326	/nfs/dbraw/zinc/63/43/26/565634326.db2.gz	XUHZDJJOUHEIJK-UHFFFAOYSA-N	0	2	376.423	3.066	10	5		GGBELN
CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2ncsc2c1	ZINC000410405858	565683108	/nfs/dbraw/zinc/68/31/08/565683108.db2.gz	KEUNVYHNWKCRTM-UHFFFAOYSA-N	0	2	379.419	3.404	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1[N+](=O)[O-]	ZINC000176585137	565785585	/nfs/dbraw/zinc/78/55/85/565785585.db2.gz	DNLRIXXZLZFNRG-UHFFFAOYSA-N	0	2	390.874	3.407	10	5		GGBELN
C[C@@H](Cc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)o1)CC(C)(C)C	ZINC000194883565	565845305	/nfs/dbraw/zinc/84/53/05/565845305.db2.gz	DGYCFIMGXOOVHW-VIFPVBQESA-N	0	2	388.471	3.455	10	5		GGBELN
COc1cc(-c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)cc(Br)c1O	ZINC000445396224	566287612	/nfs/dbraw/zinc/28/76/12/566287612.db2.gz	WCXQIBRHPZELOV-UHFFFAOYSA-N	0	2	381.142	3.117	10	5		GGBELN
O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2c[nH]c3ncccc32)c1	ZINC000556351671	566288515	/nfs/dbraw/zinc/28/85/15/566288515.db2.gz	BHUOQAJGLDCLPV-UHFFFAOYSA-N	0	2	397.210	3.034	10	5		GGBELN
Cc1ncc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1	ZINC000462550405	566321818	/nfs/dbraw/zinc/32/18/18/566321818.db2.gz	KPSYMRSHLJVAGC-UHFFFAOYSA-N	0	2	382.250	3.145	10	5		GGBELN
O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000557031543	566356496	/nfs/dbraw/zinc/35/64/96/566356496.db2.gz	ABODVJQPLQXCID-IINYFYTJSA-N	0	2	395.184	3.488	10	5		GGBELN
CN(CCc1ccc(Br)cc1)C(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000510349633	566377723	/nfs/dbraw/zinc/37/77/23/566377723.db2.gz	CHUGHFCYACXBPQ-UHFFFAOYSA-N	0	2	379.210	3.378	10	5		GGBELN
O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2cccc(Br)c2C1	ZINC000512710595	566552010	/nfs/dbraw/zinc/55/20/10/566552010.db2.gz	VVLJPSMDZGGGAN-UHFFFAOYSA-N	0	2	377.194	3.261	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(CC(C)(C)C)cs1	ZINC000539553943	566589030	/nfs/dbraw/zinc/58/90/30/566589030.db2.gz	ZUYGJEKJQTWXBB-UHFFFAOYSA-N	0	2	385.467	3.449	10	5		GGBELN
CCn1nc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1C1CC1	ZINC000426007159	566687860	/nfs/dbraw/zinc/68/78/60/566687860.db2.gz	ITQJQZLMMUKUOH-UHFFFAOYSA-N	0	2	384.845	3.451	10	5		GGBELN
COc1cc([N+](=O)[O-])ccc1C(=O)N=c1nc(-c2sccc2C)[nH]s1	ZINC000427355555	566768671	/nfs/dbraw/zinc/76/86/71/566768671.db2.gz	VCVWSJIESHHVJP-UHFFFAOYSA-N	0	2	376.419	3.166	10	5		GGBELN
C[C@H](C(=O)N=c1nc(-c2ccsc2)[nH]s1)c1ccc([N+](=O)[O-])cc1F	ZINC000542552683	566810438	/nfs/dbraw/zinc/81/04/38/566810438.db2.gz	ZVKWPZQUMGYLDB-QMMMGPOBSA-N	0	2	378.410	3.478	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(C)c2C(F)F)cc1[N+](=O)[O-]	ZINC000611150378	566892804	/nfs/dbraw/zinc/89/28/04/566892804.db2.gz	OKKSZGFNIKBLAA-UHFFFAOYSA-N	0	2	380.760	3.029	10	5		GGBELN
CN(Cc1ccc(Br)c(F)c1)C(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000584129027	567014043	/nfs/dbraw/zinc/01/40/43/567014043.db2.gz	BDAFQUPLMJGIHK-UHFFFAOYSA-N	0	2	383.173	3.474	10	5		GGBELN
Cc1ncc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1	ZINC000521551777	567065516	/nfs/dbraw/zinc/06/55/16/567065516.db2.gz	RKYAHYXQJUVWKY-UHFFFAOYSA-N	0	2	375.797	3.144	10	5		GGBELN
Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cccnc1C(F)(F)F	ZINC000565622785	567082490	/nfs/dbraw/zinc/08/24/90/567082490.db2.gz	TXXPHFVAEDEHFH-UHFFFAOYSA-N	0	2	375.328	3.426	10	5		GGBELN
COc1cc(Br)ccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000586808942	567097560	/nfs/dbraw/zinc/09/75/60/567097560.db2.gz	APIOGBHQYXYTRO-UHFFFAOYSA-N	0	2	381.182	3.002	10	5		GGBELN
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(C(F)(F)F)s1	ZINC000473757916	567100962	/nfs/dbraw/zinc/10/09/62/567100962.db2.gz	KKAAUHXWEUUXNM-UHFFFAOYSA-N	0	2	381.357	3.433	10	5		GGBELN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1C	ZINC000473755395	567101050	/nfs/dbraw/zinc/10/10/50/567101050.db2.gz	FJCJVWPLNZTCOE-UHFFFAOYSA-N	0	2	381.357	3.488	10	5		GGBELN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCCC1(F)F	ZINC000588144810	567117153	/nfs/dbraw/zinc/11/71/53/567117153.db2.gz	VQPCZEDBLZGFNV-VIFPVBQESA-N	0	2	375.180	3.368	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)cc1[N+](=O)[O-]	ZINC000436162764	567409128	/nfs/dbraw/zinc/40/91/28/567409128.db2.gz	FZNUXTYVSIEQHJ-UHFFFAOYSA-N	0	2	398.750	3.110	10	5		GGBELN
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(C)=O)c(Cl)c1	ZINC000619467850	567455648	/nfs/dbraw/zinc/45/56/48/567455648.db2.gz	JETAVZDYWBSAAU-UHFFFAOYSA-N	0	2	384.797	3.260	10	5		GGBELN
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1sc(C)nc1CC(C)C	ZINC000619467782	567455739	/nfs/dbraw/zinc/45/57/39/567455739.db2.gz	DMWQXUHQXNWZPN-UHFFFAOYSA-N	0	2	385.467	3.368	10	5		GGBELN
O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H]1c1ccc(Br)cn1	ZINC000457324880	567458161	/nfs/dbraw/zinc/45/81/61/567458161.db2.gz	JAPCXNSAAUWUFL-ZDUSSCGKSA-N	0	2	392.209	3.435	10	5		GGBELN
CC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1	ZINC000436880266	567462591	/nfs/dbraw/zinc/46/25/91/567462591.db2.gz	MMSSOBIZEDUBGV-UHFFFAOYSA-N	0	2	384.797	3.266	10	5		GGBELN
COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1Br	ZINC000436894784	567465009	/nfs/dbraw/zinc/46/50/09/567465009.db2.gz	SDMFMKDROPUOFD-UHFFFAOYSA-N	0	2	395.165	3.102	10	5		GGBELN
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(CCC(C)C)s2)c1C	ZINC000594726039	567504404	/nfs/dbraw/zinc/50/44/04/567504404.db2.gz	MFLCHHFCNXYULV-UHFFFAOYSA-N	0	2	384.483	3.453	10	5		GGBELN
Cc1ccc(C)c(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1[N+](=O)[O-]	ZINC000479115017	567504626	/nfs/dbraw/zinc/50/46/26/567504626.db2.gz	NHEJFPRNURHHDQ-UHFFFAOYSA-N	0	2	381.357	3.488	10	5		GGBELN
COc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc(OC)c1Br	ZINC000552140747	567563010	/nfs/dbraw/zinc/56/30/10/567563010.db2.gz	WGXVETXUQMOTFZ-UHFFFAOYSA-N	0	2	397.181	3.332	10	5		GGBELN
Cc1cc(S(=O)(=O)Nc2csc(-c3ccccn3)n2)ccc1[N+](=O)[O-]	ZINC000508074877	567726666	/nfs/dbraw/zinc/72/66/66/567726666.db2.gz	UFJTYVHIZCJBBH-UHFFFAOYSA-N	0	2	376.419	3.223	10	5		GGBELN
Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cnccc1C(F)(F)F	ZINC000443127411	567734376	/nfs/dbraw/zinc/73/43/76/567734376.db2.gz	BUUQRWNSNBIRLS-UHFFFAOYSA-N	0	2	375.328	3.426	10	5		GGBELN
O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N=c1nc(-c2ccsc2)[nH]s1	ZINC000554718847	567743872	/nfs/dbraw/zinc/74/38/72/567743872.db2.gz	AYRQJVNQSVCPCD-UHFFFAOYSA-N	0	2	382.373	3.056	10	5		GGBELN
CC(C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])cc1	ZINC000006623267	570506704	/nfs/dbraw/zinc/50/67/04/570506704.db2.gz	LQBLUYXOSFVKMN-UHFFFAOYSA-N	0	2	382.369	3.100	10	5		GGBELN
O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cc(Cl)ccc1O	ZINC000005752648	204150263	/nfs/dbraw/zinc/15/02/63/204150263.db2.gz	CPSXXILRNNETPT-UHFFFAOYSA-N	0	2	388.723	3.279	10	5		GGBELN
CCCCN(C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1cccc(I)c1	ZINC000084744411	205399846	/nfs/dbraw/zinc/39/98/46/205399846.db2.gz	VSLABSPYEUKNPL-STQMWFEESA-N	0	2	388.205	3.090	10	5		GGBELN
CC(=O)N(C)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000118302080	564238728	/nfs/dbraw/zinc/23/87/28/564238728.db2.gz	PXSIALOWNNRSSY-UHFFFAOYSA-N	0	2	383.813	3.032	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)s1	ZINC000118435386	564240398	/nfs/dbraw/zinc/24/03/98/564240398.db2.gz	CAMDDIHDZZPKSN-NSHDSACASA-N	0	2	384.332	3.377	10	5		GGBELN
Cc1ccn(-c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n1	ZINC000119351646	564267287	/nfs/dbraw/zinc/26/72/87/564267287.db2.gz	IXLSEWZIUWIAFN-UHFFFAOYSA-N	0	2	378.435	3.260	10	5		GGBELN
COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000016094758	564291293	/nfs/dbraw/zinc/29/12/93/564291293.db2.gz	OEUVLSRPIMEQIK-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c([N+](=O)[O-])c1	ZINC000028195988	564360484	/nfs/dbraw/zinc/36/04/84/564360484.db2.gz	GMPVMVYKDVZUCS-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000030529971	564382345	/nfs/dbraw/zinc/38/23/45/564382345.db2.gz	NUUCCCUNCHKJAU-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000129057079	564636670	/nfs/dbraw/zinc/63/66/70/564636670.db2.gz	ICVUYAPDJJMXEX-UHFFFAOYSA-N	0	2	382.448	3.284	10	5		GGBELN
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cc(O)cc(F)c1	ZINC000131426141	564711481	/nfs/dbraw/zinc/71/14/81/564711481.db2.gz	BZNJLAAOUUXJMN-UHFFFAOYSA-N	0	2	391.174	3.003	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)s1	ZINC000066254403	564759801	/nfs/dbraw/zinc/75/98/01/564759801.db2.gz	CZBMQOZZRMCHDK-UHFFFAOYSA-N	0	2	377.375	3.345	10	5		GGBELN
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1csc(Br)c1	ZINC000103201797	564944594	/nfs/dbraw/zinc/94/45/94/564944594.db2.gz	LGJVOUVOFFZFSJ-UHFFFAOYSA-N	0	2	394.210	3.456	10	5		GGBELN
Cc1cc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c(C)s1	ZINC000153194468	564987601	/nfs/dbraw/zinc/98/76/01/564987601.db2.gz	BNIJLFCZNPCGGR-UHFFFAOYSA-N	0	2	378.435	3.464	10	5		GGBELN
Cc1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3n2C)cc1[N+](=O)[O-]	ZINC000107036891	564994071	/nfs/dbraw/zinc/99/40/71/564994071.db2.gz	USVHDENWVWZEHH-UHFFFAOYSA-N	0	2	380.813	3.244	10	5		GGBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1COc2ccc(Br)cc21	ZINC000155959240	565073263	/nfs/dbraw/zinc/07/32/63/565073263.db2.gz	QPXGMXMLODWPOT-NSHDSACASA-N	0	2	379.166	3.178	10	5		GGBELN
O=C(COc1ccc(Br)cc1F)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000183900229	565102851	/nfs/dbraw/zinc/10/28/51/565102851.db2.gz	UBSRJMFAUOPGJW-UHFFFAOYSA-N	0	2	385.145	3.220	10	5		GGBELN
CCOc1cccc([N+](=O)[O-])c1C(=O)N=c1nc(-c2ccsc2)[nH]s1	ZINC000373401986	565283183	/nfs/dbraw/zinc/28/31/83/565283183.db2.gz	DYNMZNJFEBCTSK-UHFFFAOYSA-N	0	2	376.419	3.248	10	5		GGBELN
CCCn1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000161612524	565289034	/nfs/dbraw/zinc/28/90/34/565289034.db2.gz	GRCQAAWAKZLNSC-UHFFFAOYSA-N	0	2	378.332	3.021	10	5		GGBELN
O=C(N[C@@H]1CCOc2c(Br)cccc21)c1cc(O)ccc1[N+](=O)[O-]	ZINC000375811891	565406840	/nfs/dbraw/zinc/40/68/40/565406840.db2.gz	YBTWDVQDBIWZMA-CYBMUJFWSA-N	0	2	393.193	3.317	10	5		GGBELN
COc1cc(Br)ccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000188528057	565406862	/nfs/dbraw/zinc/40/68/62/565406862.db2.gz	RBWUVHLJCAGBED-UHFFFAOYSA-N	0	2	381.182	3.002	10	5		GGBELN
O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ncc(C(F)(F)F)s1	ZINC000276562664	565453621	/nfs/dbraw/zinc/45/36/21/565453621.db2.gz	GPBRWOUFYZNECS-UHFFFAOYSA-N	0	2	381.357	3.055	10	5		GGBELN
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(Cl)c1C	ZINC000392619230	565565444	/nfs/dbraw/zinc/56/54/44/565565444.db2.gz	QRYCJSRZPHLPRV-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
Cc1ccc(I)cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000314213634	565585684	/nfs/dbraw/zinc/58/56/84/565585684.db2.gz	QGSKHDVWQHSYOV-UHFFFAOYSA-N	0	2	398.156	3.466	10	5		GGBELN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(Br)c2O)n1	ZINC000191877521	565638999	/nfs/dbraw/zinc/63/89/99/565638999.db2.gz	CJQUNDGEILEEAY-UHFFFAOYSA-N	0	2	389.593	3.185	10	5		GGBELN
Cc1noc(C)c1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C	ZINC000282079996	565763747	/nfs/dbraw/zinc/76/37/47/565763747.db2.gz	WIFFUQXLVTVXAP-UHFFFAOYSA-N	0	2	390.215	3.071	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1[N+](=O)[O-]	ZINC000176596224	565787033	/nfs/dbraw/zinc/78/70/33/565787033.db2.gz	FMCUVIVTKURPKE-UHFFFAOYSA-N	0	2	376.847	3.332	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)s1	ZINC000176600747	565788623	/nfs/dbraw/zinc/78/86/23/565788623.db2.gz	VSNOVWWEEPHVFT-UHFFFAOYSA-N	0	2	388.496	3.431	10	5		GGBELN
CCCc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]n1	ZINC000414439934	565933044	/nfs/dbraw/zinc/93/30/44/565933044.db2.gz	GQLMQPSFFKBHHW-UHFFFAOYSA-N	0	2	378.332	3.090	10	5		GGBELN
O=C(Nc1ccc(I)cc1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000236563079	565938259	/nfs/dbraw/zinc/93/82/59/565938259.db2.gz	CKRCPIRUHJRBBP-UHFFFAOYSA-N	0	2	384.129	3.157	10	5		GGBELN
O=C(Nc1cccc(I)c1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000236563314	565938475	/nfs/dbraw/zinc/93/84/75/565938475.db2.gz	RONZJLAMLUWXSL-UHFFFAOYSA-N	0	2	384.129	3.157	10	5		GGBELN
O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2c(Br)cccc2C1	ZINC000509058718	566258711	/nfs/dbraw/zinc/25/87/11/566258711.db2.gz	ZWLXFFVHQCEREH-UHFFFAOYSA-N	0	2	377.194	3.261	10	5		GGBELN
Cc1nc(C)c(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)s1	ZINC000556348960	566289598	/nfs/dbraw/zinc/28/95/98/566289598.db2.gz	BVMBBZUBYDBMSL-UHFFFAOYSA-N	0	2	392.256	3.231	10	5		GGBELN
CN(CCc1cccc(Br)c1)C(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000462842936	566358304	/nfs/dbraw/zinc/35/83/04/566358304.db2.gz	SYEIHMRPOYSVSQ-UHFFFAOYSA-N	0	2	379.210	3.378	10	5		GGBELN
O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2ccc(Br)cc2C1	ZINC000557125663	566365231	/nfs/dbraw/zinc/36/52/31/566365231.db2.gz	OBGCRJZLGABBFA-UHFFFAOYSA-N	0	2	377.194	3.261	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2n[nH]c3ccc(F)cc32)cc1[N+](=O)[O-]	ZINC000484427011	566429448	/nfs/dbraw/zinc/42/94/48/566429448.db2.gz	DKGIOHPZFXOOPY-UHFFFAOYSA-N	0	2	384.776	3.373	10	5		GGBELN
C[C@@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1cccc([N+](=O)[O-])c1	ZINC000448012280	566455734	/nfs/dbraw/zinc/45/57/34/566455734.db2.gz	SKBPNPZKIUJGBZ-SECBINFHSA-N	0	2	375.435	3.479	10	5		GGBELN
COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1	ZINC000539803027	566603456	/nfs/dbraw/zinc/60/34/56/566603456.db2.gz	WKUHEUAGIOOPNS-UHFFFAOYSA-N	0	2	390.826	3.206	10	5		GGBELN
COC(=O)c1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1Br	ZINC000560621687	566644148	/nfs/dbraw/zinc/64/41/48/566644148.db2.gz	WQSCGDVERZQCHL-UHFFFAOYSA-N	0	2	395.165	3.102	10	5		GGBELN
C[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])Oc1ccccc1Br	ZINC000540588344	566659843	/nfs/dbraw/zinc/65/98/43/566659843.db2.gz	HZSZSEDRZASCLM-JTQLQIEISA-N	0	2	395.209	3.260	10	5		GGBELN
CC(C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F	ZINC000451029850	566739805	/nfs/dbraw/zinc/73/98/05/566739805.db2.gz	HXTGHLZUEQZMBA-UHFFFAOYSA-N	0	2	380.266	3.233	10	5		GGBELN
O=C(c1cc(O)ccc1[N+](=O)[O-])N(CCO)Cc1ccc(Cl)c(Cl)c1	ZINC000469896944	566826605	/nfs/dbraw/zinc/82/66/05/566826605.db2.gz	KXWNGKQXJQAVNA-UHFFFAOYSA-N	0	2	385.203	3.242	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)=O)c(Cl)c1	ZINC000543023256	566844711	/nfs/dbraw/zinc/84/47/11/566844711.db2.gz	LMMQZGOYCHDMTO-UHFFFAOYSA-N	0	2	384.797	3.260	10	5		GGBELN
COc1ccccc1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1	ZINC000582375181	566856724	/nfs/dbraw/zinc/85/67/24/566856724.db2.gz	ZLAKXSRPZUMUGU-UHFFFAOYSA-N	0	2	387.211	3.167	10	5		GGBELN
O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2ccc(F)cc2F)c1	ZINC000585733043	567084042	/nfs/dbraw/zinc/08/40/42/567084042.db2.gz	GWBDHKHRTSCPKF-UHFFFAOYSA-N	0	2	393.165	3.436	10	5		GGBELN
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1C	ZINC000473755876	567101576	/nfs/dbraw/zinc/10/15/76/567101576.db2.gz	IIKAXPFCFZIVBR-UHFFFAOYSA-N	0	2	381.357	3.488	10	5		GGBELN
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1	ZINC000473769442	567102004	/nfs/dbraw/zinc/10/20/04/567102004.db2.gz	ZFMPUZIQAVLFIY-UHFFFAOYSA-N	0	2	381.357	3.488	10	5		GGBELN
C[C@@H](Cc1ccccc1Br)NC(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000500866635	567350473	/nfs/dbraw/zinc/35/04/73/567350473.db2.gz	HLSQNGOBYPKXBJ-JTQLQIEISA-N	0	2	379.210	3.424	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)cc1[N+](=O)[O-]	ZINC000435720338	567385340	/nfs/dbraw/zinc/38/53/40/567385340.db2.gz	WXRJFMSQGYTRQH-UHFFFAOYSA-N	0	2	384.723	3.099	10	5		GGBELN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)cc(Cl)c2O)n1	ZINC000436814612	567453843	/nfs/dbraw/zinc/45/38/43/567453843.db2.gz	IJKLKVFLWIJMRR-UHFFFAOYSA-N	0	2	389.593	3.185	10	5		GGBELN
Cc1sc(C(=O)Nc2nc(-c3ccc(O)c(Cl)c3)n[nH]2)cc1[N+](=O)[O-]	ZINC000436917760	567466485	/nfs/dbraw/zinc/46/64/85/567466485.db2.gz	YUEFRYVHBAZZFE-UHFFFAOYSA-N	0	2	379.785	3.361	10	5		GGBELN
O=C(N[C@@H]1CCOc2c(Br)cccc21)c1ccc([N+](=O)[O-])c(O)c1	ZINC000504331469	567529963	/nfs/dbraw/zinc/52/99/63/567529963.db2.gz	HIWBTBGQQILTCE-GFCCVEGCSA-N	0	2	393.193	3.317	10	5		GGBELN
CN(Cc1cc(Br)ccc1F)C(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000504774375	567547138	/nfs/dbraw/zinc/54/71/38/567547138.db2.gz	FBMCZTATGCXYOK-UHFFFAOYSA-N	0	2	383.173	3.474	10	5		GGBELN
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1nc(-c2cccnc2)[nH]s1	ZINC000438949190	567556426	/nfs/dbraw/zinc/55/64/26/567556426.db2.gz	DDVQXWQZOGKXBD-UHFFFAOYSA-N	0	2	375.797	3.144	10	5		GGBELN
O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCOc2ccc(Br)cc2C1	ZINC000552247984	567570417	/nfs/dbraw/zinc/57/04/17/567570417.db2.gz	LCQUUDHMGKQMNZ-UHFFFAOYSA-N	0	2	393.193	3.098	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CCc2ccccc2)C(F)(F)F)s1	ZINC000479999383	567574418	/nfs/dbraw/zinc/57/44/18/567574418.db2.gz	PRBWFLMCORYXMQ-LLVKDONJSA-N	0	2	394.396	3.498	10	5		GGBELN
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000571728195	567584859	/nfs/dbraw/zinc/58/48/59/567584859.db2.gz	PILNHVYPRWBFMM-UHFFFAOYSA-N	0	2	378.694	3.116	10	5		GGBELN
O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1cccc(O)c1[N+](=O)[O-]	ZINC000552413889	567588544	/nfs/dbraw/zinc/58/85/44/567588544.db2.gz	CBQFJXMYZZHPNX-AWEZNQCLSA-N	0	2	392.209	3.339	10	5		GGBELN
Cc1cc(I)cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1	ZINC000553233797	567636728	/nfs/dbraw/zinc/63/67/28/567636728.db2.gz	GLQLAUFWSINVQT-UHFFFAOYSA-N	0	2	398.156	3.466	10	5		GGBELN
O=C(N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1cccc(O)c1[N+](=O)[O-]	ZINC000553434566	567654082	/nfs/dbraw/zinc/65/40/82/567654082.db2.gz	JEDFWFURJHXSAI-CYBMUJFWSA-N	0	2	385.203	3.461	10	5		GGBELN
Cc1[nH+]cn(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)cc2)c1C	ZINC000461220627	567726420	/nfs/dbraw/zinc/72/64/20/567726420.db2.gz	UEUYBFMIBYZHON-UHFFFAOYSA-N	0	2	378.435	3.260	10	5		GGBELN
CCc1noc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000533627869	567779243	/nfs/dbraw/zinc/77/92/43/567779243.db2.gz	WKSRTSXJBGFTJZ-UHFFFAOYSA-N	0	2	390.215	3.017	10	5		GGBELN
COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1Br	ZINC000444436531	567806007	/nfs/dbraw/zinc/80/60/07/567806007.db2.gz	YCDFUMHDKIIOLB-UHFFFAOYSA-N	0	2	395.165	3.102	10	5		GGBELN
COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c([N+](=O)[O-])c1	ZINC000028197190	564360601	/nfs/dbraw/zinc/36/06/01/564360601.db2.gz	RPEIUNCFIMZPGS-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)s1	ZINC000122023728	564397310	/nfs/dbraw/zinc/39/73/10/564397310.db2.gz	FMOMROVWGISKJA-JTQLQIEISA-N	0	2	380.369	3.108	10	5		GGBELN
COC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1C	ZINC000145707118	564879297	/nfs/dbraw/zinc/87/92/97/564879297.db2.gz	KNTYQPOKNSURDX-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
COc1cc(C)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OC	ZINC000145575064	564879896	/nfs/dbraw/zinc/87/98/96/564879896.db2.gz	ZMSGUPGYSAGXJA-UHFFFAOYSA-N	0	2	386.813	3.375	10	5		GGBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1csc(I)c1	ZINC000183912763	565103366	/nfs/dbraw/zinc/10/33/66/565103366.db2.gz	CPXIILQWSPESHG-UHFFFAOYSA-N	0	2	390.158	3.219	10	5		GGBELN
Cc1ccc(Cc2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)s2)cc1	ZINC000160117825	565231206	/nfs/dbraw/zinc/23/12/06/565231206.db2.gz	NIDYSCQQDJLJFG-UHFFFAOYSA-N	0	2	396.475	3.208	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)cc1[N+](=O)[O-]	ZINC000160278780	565238796	/nfs/dbraw/zinc/23/87/96/565238796.db2.gz	SAGLOHQZYZJTLU-UHFFFAOYSA-N	0	2	398.750	3.116	10	5		GGBELN
Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000272453351	565287451	/nfs/dbraw/zinc/28/74/51/565287451.db2.gz	WPMIZVYIRYOYGT-UHFFFAOYSA-N	0	2	380.760	3.327	10	5		GGBELN
COCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1	ZINC000162334108	565313796	/nfs/dbraw/zinc/31/37/96/565313796.db2.gz	NVQPFGARVNAEFF-UHFFFAOYSA-N	0	2	397.356	3.017	10	5		GGBELN
O=C(Cc1ccc(I)cc1)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000191004131	565577654	/nfs/dbraw/zinc/57/76/54/565577654.db2.gz	LDIUECJRAKZVMJ-UHFFFAOYSA-N	0	2	398.156	3.086	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)CCCCC2	ZINC000192930942	565719642	/nfs/dbraw/zinc/71/96/42/565719642.db2.gz	JBLXGDUFVVHWGL-UHFFFAOYSA-N	0	2	383.451	3.130	10	5		GGBELN
COCc1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1	ZINC000414439547	565933168	/nfs/dbraw/zinc/93/31/68/565933168.db2.gz	LFSQLJMRBQYLQK-UHFFFAOYSA-N	0	2	397.356	3.017	10	5		GGBELN
COc1ccc(Br)c(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1	ZINC000182088143	566181915	/nfs/dbraw/zinc/18/19/15/566181915.db2.gz	HQWLIJNOBKXOIE-UHFFFAOYSA-N	0	2	381.182	3.253	10	5		GGBELN
COC(=O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c(Cl)c1	ZINC000536703397	566394390	/nfs/dbraw/zinc/39/43/90/566394390.db2.gz	VSTLACMSAFGQKM-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
CN(Cc1cc(Br)ccc1F)C(=O)c1cccc(O)c1[N+](=O)[O-]	ZINC000537245676	566433220	/nfs/dbraw/zinc/43/32/20/566433220.db2.gz	BTZFDXHREYIASP-UHFFFAOYSA-N	0	2	383.173	3.474	10	5		GGBELN
C[C@H](Cc1ccccc1Br)NC(=O)c1cccc(O)c1[N+](=O)[O-]	ZINC000538386802	566510223	/nfs/dbraw/zinc/51/02/23/566510223.db2.gz	AYRGNBYGCKZENS-SNVBAGLBSA-N	0	2	379.210	3.424	10	5		GGBELN
O=C(NCc1nc2cc(Br)ccc2o1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000578386962	566517149	/nfs/dbraw/zinc/51/71/49/566517149.db2.gz	LHBDCNXHMDAXLI-UHFFFAOYSA-N	0	2	392.165	3.134	10	5		GGBELN
C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cccc(O)c1[N+](=O)[O-]	ZINC000539414964	566580629	/nfs/dbraw/zinc/58/06/29/566580629.db2.gz	VNNXMMFCNFDUBA-JTQLQIEISA-N	0	2	379.210	3.424	10	5		GGBELN
Cc1cc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(C)o1	ZINC000560012527	566585455	/nfs/dbraw/zinc/58/54/55/566585455.db2.gz	QHFTZAHVLASMMQ-UHFFFAOYSA-N	0	2	375.200	3.368	10	5		GGBELN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccsc2)nn1C	ZINC000486560611	566597528	/nfs/dbraw/zinc/59/75/28/566597528.db2.gz	VKXBISBPUWVVNO-UHFFFAOYSA-N	0	2	378.435	3.166	10	5		GGBELN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2ccsc2)nn1C	ZINC000486546728	566597537	/nfs/dbraw/zinc/59/75/37/566597537.db2.gz	FABYICATRUMDRL-UHFFFAOYSA-N	0	2	378.435	3.166	10	5		GGBELN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2ccsc2)nn1C	ZINC000486561052	566599436	/nfs/dbraw/zinc/59/94/36/566599436.db2.gz	ONGFBCVZHFZIIH-UHFFFAOYSA-N	0	2	378.435	3.166	10	5		GGBELN
C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1cccc(Br)c1	ZINC000513619206	566612693	/nfs/dbraw/zinc/61/26/93/566612693.db2.gz	JPUCVMGJEXECFT-JTQLQIEISA-N	0	2	395.209	3.260	10	5		GGBELN
O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2cc(Br)ccc2C1	ZINC000560667751	566649338	/nfs/dbraw/zinc/64/93/38/566649338.db2.gz	VHCMLRXAJUBUDY-UHFFFAOYSA-N	0	2	377.194	3.261	10	5		GGBELN
O=C(NCCc1ccc(F)c(Br)c1)c1cccc(O)c1[N+](=O)[O-]	ZINC000540517311	566656598	/nfs/dbraw/zinc/65/65/98/566656598.db2.gz	KNXCDJXDDBKUAZ-UHFFFAOYSA-N	0	2	383.173	3.175	10	5		GGBELN
C[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])Oc1ccccc1Br	ZINC000540588345	566658832	/nfs/dbraw/zinc/65/88/32/566658832.db2.gz	HZSZSEDRZASCLM-SNVBAGLBSA-N	0	2	395.209	3.260	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(OC(F)F)cn2)cc1[N+](=O)[O-]	ZINC000427628253	566785078	/nfs/dbraw/zinc/78/50/78/566785078.db2.gz	GPQHQDMXPXIEFH-UHFFFAOYSA-N	0	2	393.755	3.354	10	5		GGBELN
COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2nc(C)sc2c1	ZINC000427750975	566794050	/nfs/dbraw/zinc/79/40/50/566794050.db2.gz	ZBEAXXQOUUIYKL-UHFFFAOYSA-N	0	2	379.419	3.322	10	5		GGBELN
O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000542516650	566808902	/nfs/dbraw/zinc/80/89/02/566808902.db2.gz	WIZBYOHNVMDAES-UHFFFAOYSA-N	0	2	381.175	3.436	10	5		GGBELN
CCCc1ncc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1	ZINC000451956277	566913995	/nfs/dbraw/zinc/91/39/95/566913995.db2.gz	GWMZOPAQHVAHEK-UHFFFAOYSA-N	0	2	394.236	3.321	10	5		GGBELN
Cc1ccsc1-c1nsc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1	ZINC000471944201	566988844	/nfs/dbraw/zinc/98/88/44/566988844.db2.gz	QVVRGZLBSQDURA-UHFFFAOYSA-N	0	2	396.475	3.014	10	5		GGBELN
O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2c(F)cc(Br)cc2C1	ZINC000586797617	567096812	/nfs/dbraw/zinc/09/68/12/567096812.db2.gz	XYVPLCOEOKFPTF-UHFFFAOYSA-N	0	2	395.184	3.401	10	5		GGBELN
O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCOc2c(Br)cccc2C1	ZINC000586816439	567099181	/nfs/dbraw/zinc/09/91/81/567099181.db2.gz	LIEPLSJHNAVJDN-UHFFFAOYSA-N	0	2	393.193	3.098	10	5		GGBELN
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ncc(C(F)(F)F)s1	ZINC000473758053	567101133	/nfs/dbraw/zinc/10/11/33/567101133.db2.gz	XUHHCUNGRLEULV-UHFFFAOYSA-N	0	2	381.357	3.488	10	5		GGBELN
CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnccc1C(F)(F)F	ZINC000589559338	567183787	/nfs/dbraw/zinc/18/37/87/567183787.db2.gz	VJTMPWOLQGQTMY-UHFFFAOYSA-N	0	2	375.328	3.372	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2cnc(CC(C)C)nc2)cc1[N+](=O)[O-]	ZINC000475832183	567280143	/nfs/dbraw/zinc/28/01/43/567280143.db2.gz	LPWHPFKTWKFUQV-UHFFFAOYSA-N	0	2	384.845	3.346	10	5		GGBELN
C[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC(F)F	ZINC000592067757	567312891	/nfs/dbraw/zinc/31/28/91/567312891.db2.gz	OSDUTSFQXCTJHM-LURJTMIESA-N	0	2	377.196	3.471	10	5		GGBELN
O=C(NCc1cc(F)c(F)cc1Br)c1cc(O)ccc1[N+](=O)[O-]	ZINC000568375229	567323637	/nfs/dbraw/zinc/32/36/37/567323637.db2.gz	YVXUUKVHNXBKKC-UHFFFAOYSA-N	0	2	387.136	3.271	10	5		GGBELN
CN(Cc1ccc(F)cc1Br)C(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000569014323	567374011	/nfs/dbraw/zinc/37/40/11/567374011.db2.gz	BKZXXONOQVYCEU-UHFFFAOYSA-N	0	2	383.173	3.474	10	5		GGBELN
O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(Br)cn1	ZINC000457324878	567458139	/nfs/dbraw/zinc/45/81/39/567458139.db2.gz	JAPCXNSAAUWUFL-CYBMUJFWSA-N	0	2	392.209	3.435	10	5		GGBELN
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(CCC(C)C)s2)cc1C	ZINC000594725603	567502922	/nfs/dbraw/zinc/50/29/22/567502922.db2.gz	AADNWIAGEWKFAC-UHFFFAOYSA-N	0	2	384.483	3.453	10	5		GGBELN
COc1ccc(Br)cc1CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000505137573	567561528	/nfs/dbraw/zinc/56/15/28/567561528.db2.gz	RSPGXLBLQVDWMH-UHFFFAOYSA-N	0	2	395.209	3.344	10	5		GGBELN
O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1cccc(O)c1[N+](=O)[O-]	ZINC000552413890	567588440	/nfs/dbraw/zinc/58/84/40/567588440.db2.gz	CBQFJXMYZZHPNX-CQSZACIVSA-N	0	2	392.209	3.339	10	5		GGBELN
O=C(c1cccc(O)c1[N+](=O)[O-])N1CCc2c(Br)ccc(F)c2C1	ZINC000553371085	567647544	/nfs/dbraw/zinc/64/75/44/567647544.db2.gz	ZVGVVGGTIXQTIG-UHFFFAOYSA-N	0	2	395.184	3.401	10	5		GGBELN
COc1ccc(Br)c(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1	ZINC000507675002	567695454	/nfs/dbraw/zinc/69/54/54/567695454.db2.gz	VVBDBCCIUMDNJJ-UHFFFAOYSA-N	0	2	381.182	3.002	10	5		GGBELN
Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cnccc1C(F)(F)F	ZINC000442829450	567710957	/nfs/dbraw/zinc/71/09/57/567710957.db2.gz	VACSLIBMRDLZAZ-UHFFFAOYSA-N	0	2	375.328	3.426	10	5		GGBELN
C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000508281914	567741317	/nfs/dbraw/zinc/74/13/17/567741317.db2.gz	ZVMNNCWGILDWGJ-SNVBAGLBSA-N	0	2	379.210	3.424	10	5		GGBELN
COc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c(OC)c1	ZINC000443418899	567755933	/nfs/dbraw/zinc/75/59/33/567755933.db2.gz	OUAHBFRZCNLNST-UHFFFAOYSA-N	0	2	386.813	3.375	10	5		GGBELN
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[C@H]1CC1(F)F	ZINC000598621467	567780503	/nfs/dbraw/zinc/78/05/03/567780503.db2.gz	GMZANPWDXWRQFL-LURJTMIESA-N	0	2	375.180	3.225	10	5		GGBELN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(cc(F)cc2F)s1	ZINC000006510772	564224115	/nfs/dbraw/zinc/22/41/15/564224115.db2.gz	ITBPDLCRJURSSM-UHFFFAOYSA-N	0	2	385.373	3.014	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-]	ZINC000118301256	564238519	/nfs/dbraw/zinc/23/85/19/564238519.db2.gz	GSCWKKOJTKETRI-UHFFFAOYSA-N	0	2	398.750	3.116	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)s1	ZINC000118435389	564240480	/nfs/dbraw/zinc/24/04/80/564240480.db2.gz	CAMDDIHDZZPKSN-LLVKDONJSA-N	0	2	384.332	3.377	10	5		GGBELN
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1c[nH+]c2ccc(Br)cn12	ZINC000119125745	564256089	/nfs/dbraw/zinc/25/60/89/564256089.db2.gz	XWKYFAYFJBSLIC-NSCUHMNNSA-N	0	2	389.165	3.269	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000028807832	564364497	/nfs/dbraw/zinc/36/44/97/564364497.db2.gz	FXDXQUGWQJFYOR-UHFFFAOYSA-N	0	2	376.312	3.423	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1N(C)C	ZINC000069901341	564847301	/nfs/dbraw/zinc/84/73/01/564847301.db2.gz	NKGNCNKBXMKMSI-UHFFFAOYSA-N	0	2	385.829	3.124	10	5		GGBELN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2cc(Cl)ccc2n1C	ZINC000107036629	564994283	/nfs/dbraw/zinc/99/42/83/564994283.db2.gz	SIQARVRAZRGHNK-UHFFFAOYSA-N	0	2	380.813	3.244	10	5		GGBELN
CCC(CC)c1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)s1	ZINC000267652375	565125769	/nfs/dbraw/zinc/12/57/69/565125769.db2.gz	LLKOGNHBVUAYCG-UHFFFAOYSA-N	0	2	386.455	3.159	10	5		GGBELN
O=C(Nc1cccc(-c2nnc[nH]2)c1)c1sc(Br)cc1[N+](=O)[O-]	ZINC000373112881	565270442	/nfs/dbraw/zinc/27/04/42/565270442.db2.gz	QSSJKPQATYYPMM-UHFFFAOYSA-N	0	2	394.210	3.456	10	5		GGBELN
O=C(Cc1ccccc1I)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000166176767	565373454	/nfs/dbraw/zinc/37/34/54/565373454.db2.gz	TZAUEXSCTQBOLA-UHFFFAOYSA-N	0	2	398.156	3.086	10	5		GGBELN
Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1I	ZINC000385127549	565545356	/nfs/dbraw/zinc/54/53/56/565545356.db2.gz	XMHPEALUBZAYFL-UHFFFAOYSA-N	0	2	398.156	3.466	10	5		GGBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2nnc(CCC(C)C)o2)cc1[N+](=O)[O-]	ZINC000194874868	565844265	/nfs/dbraw/zinc/84/42/65/565844265.db2.gz	SLYGAZIUPZJNOP-UHFFFAOYSA-N	0	2	388.833	3.329	10	5		GGBELN
C[C@H](Cc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)o1)CC(C)(C)C	ZINC000194883582	565845555	/nfs/dbraw/zinc/84/55/55/565845555.db2.gz	DGYCFIMGXOOVHW-SECBINFHSA-N	0	2	388.471	3.455	10	5		GGBELN
CC(C)c1nn(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000285020484	565883936	/nfs/dbraw/zinc/88/39/36/565883936.db2.gz	GYCMUDXTONHLAW-UHFFFAOYSA-N	0	2	376.797	3.045	10	5		GGBELN
CCCn1nccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000414376820	565918717	/nfs/dbraw/zinc/91/87/17/565918717.db2.gz	DETIAQWGOZZSKB-UHFFFAOYSA-N	0	2	378.332	3.021	10	5		GGBELN
COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C	ZINC000414381858	565919732	/nfs/dbraw/zinc/91/97/32/565919732.db2.gz	NLARYBSSHWFSBE-UHFFFAOYSA-N	0	2	384.435	3.169	10	5		GGBELN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1n[nH]c2ccc(Br)cc21	ZINC000180771193	566088314	/nfs/dbraw/zinc/08/83/14/566088314.db2.gz	PXTUERGTXPGETG-UHFFFAOYSA-N	0	2	377.154	3.192	10	5		GGBELN
CC(C)C[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c2C1	ZINC000181071691	566111001	/nfs/dbraw/zinc/11/10/01/566111001.db2.gz	FCWFMFDSACVNBP-UHFFFAOYSA-N	0	2	381.479	3.429	10	5		GGBELN
CC(C)C[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c2C1	ZINC000181071691	566111006	/nfs/dbraw/zinc/11/10/06/566111006.db2.gz	FCWFMFDSACVNBP-UHFFFAOYSA-N	0	2	381.479	3.429	10	5		GGBELN
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1c[nH+]c2ccc(Br)cn12	ZINC000255309977	566121249	/nfs/dbraw/zinc/12/12/49/566121249.db2.gz	XWKYFAYFJBSLIC-IHWYPQMZSA-N	0	2	389.165	3.269	10	5		GGBELN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1C	ZINC000509382988	566296919	/nfs/dbraw/zinc/29/69/19/566296919.db2.gz	GOIQNHKKSDPLIH-UHFFFAOYSA-N	0	2	375.328	3.426	10	5		GGBELN
CO[C@@H](CC(C)C)CS(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1	ZINC000421165429	566352859	/nfs/dbraw/zinc/35/28/59/566352859.db2.gz	MRKPKXJXTLVBDE-ZDUSSCGKSA-N	0	2	395.275	3.160	10	5		GGBELN
Cc1c(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)cccc1[N+](=O)[O-]	ZINC000447992316	566451272	/nfs/dbraw/zinc/45/12/72/566451272.db2.gz	OVLMCRUGNROSKR-UHFFFAOYSA-N	0	2	375.435	3.227	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1O	ZINC000511336385	566455161	/nfs/dbraw/zinc/45/51/61/566455161.db2.gz	XYJYRPLWFCYDJD-UHFFFAOYSA-N	0	2	393.204	3.417	10	5		GGBELN
C[C@@H](Cc1ccccc1Br)NC(=O)c1cccc(O)c1[N+](=O)[O-]	ZINC000538386801	566509926	/nfs/dbraw/zinc/50/99/26/566509926.db2.gz	AYRGNBYGCKZENS-JTQLQIEISA-N	0	2	379.210	3.424	10	5		GGBELN
O=C(N[C@@H]1CCc2cc(Br)ccc21)c1ccc([N+](=O)[O-])c(O)c1	ZINC000512626944	566545587	/nfs/dbraw/zinc/54/55/87/566545587.db2.gz	XYALZBVMCZEGFL-CYBMUJFWSA-N	0	2	377.194	3.480	10	5		GGBELN
O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2cccc(F)c2F)c1	ZINC000560010887	566584748	/nfs/dbraw/zinc/58/47/48/566584748.db2.gz	QFMRBKLAYFTEQY-UHFFFAOYSA-N	0	2	393.165	3.436	10	5		GGBELN
O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2cncc(Cl)c2)c1	ZINC000560011546	566585276	/nfs/dbraw/zinc/58/52/76/566585276.db2.gz	SKDYDXFUSYNWLP-UHFFFAOYSA-N	0	2	392.618	3.207	10	5		GGBELN
O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2cc(F)ccc2F)c1	ZINC000560009050	566585592	/nfs/dbraw/zinc/58/55/92/566585592.db2.gz	BUQHHRAWGRHSLU-UHFFFAOYSA-N	0	2	393.165	3.436	10	5		GGBELN
Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1	ZINC000539554680	566588989	/nfs/dbraw/zinc/58/89/89/566588989.db2.gz	BAIZWPMBBSTWOR-UHFFFAOYSA-N	0	2	377.809	3.328	10	5		GGBELN
Cc1cc(S(=O)(=O)Nc2cc(-c3ccsc3)nn2C)ccc1[N+](=O)[O-]	ZINC000486569739	566598987	/nfs/dbraw/zinc/59/89/87/566598987.db2.gz	YVPBPEFVLGRIIA-UHFFFAOYSA-N	0	2	378.435	3.166	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)CCc3ccccc32)s1	ZINC000545467820	567054438	/nfs/dbraw/zinc/05/44/38/567054438.db2.gz	DMQZLHKVXIAJKU-CYBMUJFWSA-N	0	2	392.380	3.339	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)CCc3ccccc32)s1	ZINC000545467821	567054662	/nfs/dbraw/zinc/05/46/62/567054662.db2.gz	DMQZLHKVXIAJKU-ZDUSSCGKSA-N	0	2	392.380	3.339	10	5		GGBELN
Cc1sc(S(=O)(=O)Nc2cc(-n3cccn3)ccc2C)cc1[N+](=O)[O-]	ZINC000473427454	567080030	/nfs/dbraw/zinc/08/00/30/567080030.db2.gz	NGYKCVYMOSGMOK-UHFFFAOYSA-N	0	2	378.435	3.260	10	5		GGBELN
Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)nc1-c1ccccc1	ZINC000433127739	567226003	/nfs/dbraw/zinc/22/60/03/567226003.db2.gz	JIAWYBXZYFTDBB-UHFFFAOYSA-N	0	2	376.419	3.223	10	5		GGBELN
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(s1)CCC2(C)C	ZINC000591498347	567284378	/nfs/dbraw/zinc/28/43/78/567284378.db2.gz	BEGLUTXYICQFLS-UHFFFAOYSA-N	0	2	383.451	3.085	10	5		GGBELN
C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1ccccc1Br	ZINC000500054882	567293998	/nfs/dbraw/zinc/29/39/98/567293998.db2.gz	XTUCOJLGESCKKH-SNVBAGLBSA-N	0	2	395.209	3.260	10	5		GGBELN
Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cccnc1C(F)(F)F	ZINC000569047391	567375493	/nfs/dbraw/zinc/37/54/93/567375493.db2.gz	PUIJTHAGQWERDC-UHFFFAOYSA-N	0	2	375.328	3.426	10	5		GGBELN
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(CC(C)(C)C)cs1	ZINC000619507525	567460682	/nfs/dbraw/zinc/46/06/82/567460682.db2.gz	HFLZGRGJLAZEEY-UHFFFAOYSA-N	0	2	385.467	3.449	10	5		GGBELN
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1C(F)(F)F	ZINC000619506908	567460750	/nfs/dbraw/zinc/46/07/50/567460750.db2.gz	FXGNWLVADPAAIK-UHFFFAOYSA-N	0	2	376.312	3.423	10	5		GGBELN
CCOc1ccc(NS(=O)(=O)c2ccc3ncsc3c2)c([N+](=O)[O-])c1	ZINC000479157668	567510410	/nfs/dbraw/zinc/51/04/10/567510410.db2.gz	PGBMYRPHULSRRS-UHFFFAOYSA-N	0	2	379.419	3.404	10	5		GGBELN
C[C@]1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1(F)F	ZINC000594850020	567520752	/nfs/dbraw/zinc/52/07/52/567520752.db2.gz	BLPAUSWDMAQWIW-SNVBAGLBSA-N	0	2	375.180	3.225	10	5		GGBELN
O=C([O-])c1cc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)ccc1[N+](=O)[O-]	ZINC000551953346	567545445	/nfs/dbraw/zinc/54/54/45/567545445.db2.gz	SZFMBCFNQWDQBC-UHFFFAOYSA-N	0	2	381.841	3.330	10	5		GGBELN
CN(CCOc1ccc(Br)cc1)C(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000505139666	567562927	/nfs/dbraw/zinc/56/29/27/567562927.db2.gz	AEETWCKANRWOEF-UHFFFAOYSA-N	0	2	395.209	3.214	10	5		GGBELN
COc1cc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc([N+](=O)[O-])c1C	ZINC000480084142	567580209	/nfs/dbraw/zinc/58/02/09/567580209.db2.gz	JCBKKDHQYGSHJY-UHFFFAOYSA-N	0	2	376.419	3.166	10	5		GGBELN
COc1c(C(=O)N=c2nc(-c3sccc3C)[nH]s2)cccc1[N+](=O)[O-]	ZINC000480937828	567644492	/nfs/dbraw/zinc/64/44/92/567644492.db2.gz	PASSFAYVLDWZEH-UHFFFAOYSA-N	0	2	376.419	3.166	10	5		GGBELN
Cc1nc(C)c(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1	ZINC000531780393	567678631	/nfs/dbraw/zinc/67/86/31/567678631.db2.gz	APTNPXYIADRDPA-UHFFFAOYSA-N	0	2	392.256	3.231	10	5		GGBELN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(-c2cccnc2)s1	ZINC000508066522	567723426	/nfs/dbraw/zinc/72/34/26/567723426.db2.gz	CICMRZVCYHOTFF-UHFFFAOYSA-N	0	2	376.419	3.223	10	5		GGBELN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ncc(-c2cccnc2)s1	ZINC000508066605	567723755	/nfs/dbraw/zinc/72/37/55/567723755.db2.gz	CXIRNNBWOVGQSP-UHFFFAOYSA-N	0	2	376.419	3.223	10	5		GGBELN
Cc1cc(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)ccc1[N+](=O)[O-]	ZINC000508100407	567728795	/nfs/dbraw/zinc/72/87/95/567728795.db2.gz	WXDXNLGZSIJCDZ-UHFFFAOYSA-N	0	2	376.419	3.223	10	5		GGBELN
O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1csc(-c2ccccn2)n1	ZINC000508141482	567732971	/nfs/dbraw/zinc/73/29/71/567732971.db2.gz	GEMAZMACUXGMMV-UHFFFAOYSA-N	0	2	376.419	3.055	10	5		GGBELN
C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000508393231	567745764	/nfs/dbraw/zinc/74/57/64/567745764.db2.gz	SGSQUJMCXUIANH-SNVBAGLBSA-N	0	2	379.210	3.424	10	5		GGBELN
C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000508393230	567745842	/nfs/dbraw/zinc/74/58/42/567745842.db2.gz	SGSQUJMCXUIANH-JTQLQIEISA-N	0	2	379.210	3.424	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Br)c1	ZINC000007708147	221006791	/nfs/dbraw/zinc/00/67/91/221006791.db2.gz	MFJTXYRTDLXTTP-UHFFFAOYSA-N	0	2	387.211	3.167	10	5		GGBELN
COC(=O)c1sccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000007709027	221007305	/nfs/dbraw/zinc/00/73/05/221007305.db2.gz	DLSYWUJLEMUEML-UHFFFAOYSA-N	0	2	390.826	3.206	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(C)sc2c1	ZINC000007708771	564239838	/nfs/dbraw/zinc/23/98/38/564239838.db2.gz	DWKDJWUAWCLJRH-UHFFFAOYSA-N	0	2	379.419	3.322	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(/C=C/c3ccco3)s2)s1	ZINC000119742758	564285968	/nfs/dbraw/zinc/28/59/68/564285968.db2.gz	SASLFBSSFVWPJX-ONEGZZNKSA-N	0	2	384.420	3.072	10	5		GGBELN
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(N2CCCC2)nc1	ZINC000127265013	564578656	/nfs/dbraw/zinc/57/86/56/564578656.db2.gz	OGYHZJGWZPMLBI-UHFFFAOYSA-N	0	2	382.829	3.044	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1N(C)C	ZINC000055589655	564625094	/nfs/dbraw/zinc/62/50/94/564625094.db2.gz	SYTZAACMYNMHEK-UHFFFAOYSA-N	0	2	385.829	3.124	10	5		GGBELN
CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Cl	ZINC000055633007	564627189	/nfs/dbraw/zinc/62/71/89/564627189.db2.gz	OEMVMMJQVQTGSC-UHFFFAOYSA-N	0	2	386.813	3.456	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(O)cc(F)c2)c(C(F)(F)F)c1	ZINC000131381970	564710319	/nfs/dbraw/zinc/71/03/19/564710319.db2.gz	UWPUGQJLQWMYJK-UHFFFAOYSA-N	0	2	380.275	3.259	10	5		GGBELN
CCOc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)sc2c1	ZINC000063911234	564725259	/nfs/dbraw/zinc/72/52/59/564725259.db2.gz	KFRRHWZEXNHGLN-UHFFFAOYSA-N	0	2	385.448	3.466	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(cccc2C)s1	ZINC000069901171	564847383	/nfs/dbraw/zinc/84/73/83/564847383.db2.gz	QRZVDQBYLPMRMV-UHFFFAOYSA-N	0	2	379.419	3.322	10	5		GGBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2ccc(C)cc2s1	ZINC000069901068	564847608	/nfs/dbraw/zinc/84/76/08/564847608.db2.gz	PFXQMJUZGMRMMT-UHFFFAOYSA-N	0	2	379.419	3.322	10	5		GGBELN
C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000183900488	565102758	/nfs/dbraw/zinc/10/27/58/565102758.db2.gz	WGYTUPFUANRORD-VIFPVBQESA-N	0	2	381.182	3.469	10	5		GGBELN
CC(C)c1nn(C)cc1NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000295225988	565252573	/nfs/dbraw/zinc/25/25/73/565252573.db2.gz	RYRGXGAHSHOHIM-UHFFFAOYSA-N	0	2	376.797	3.045	10	5		GGBELN
Cc1sc(S(=O)(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-]	ZINC000163948549	565354102	/nfs/dbraw/zinc/35/41/02/565354102.db2.gz	GSMGEXBQNKBGIA-UHFFFAOYSA-N	0	2	383.451	3.360	10	5		GGBELN
O=C(N[C@H]1CCOc2c(Br)cccc21)c1cc(O)ccc1[N+](=O)[O-]	ZINC000375811896	565406249	/nfs/dbraw/zinc/40/62/49/565406249.db2.gz	YBTWDVQDBIWZMA-ZDUSSCGKSA-N	0	2	393.193	3.317	10	5		GGBELN
Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1	ZINC000191564824	565613757	/nfs/dbraw/zinc/61/37/57/565613757.db2.gz	HTJJUKKKXYOQRR-UHFFFAOYSA-N	0	2	375.328	3.426	10	5		GGBELN
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)c(Cl)c1	ZINC000326843578	565626332	/nfs/dbraw/zinc/62/63/32/565626332.db2.gz	OEAGUEBVMHLUHM-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F	ZINC000414475644	565940738	/nfs/dbraw/zinc/94/07/38/565940738.db2.gz	HRJAXESVOALSOC-JTQLQIEISA-N	0	2	394.293	3.479	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(/C=C\c3ccco3)s2)s1	ZINC000255560068	566121106	/nfs/dbraw/zinc/12/11/06/566121106.db2.gz	SASLFBSSFVWPJX-ARJAWSKDSA-N	0	2	384.420	3.072	10	5		GGBELN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)c(Cl)c1	ZINC000182568012	566212590	/nfs/dbraw/zinc/21/25/90/566212590.db2.gz	QHMAFTCHNMQKAW-UHFFFAOYSA-N	0	2	385.833	3.146	10	5		GGBELN
O=C(NCc1cc2cc(Br)ccc2[nH]1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000575203066	566259472	/nfs/dbraw/zinc/25/94/72/566259472.db2.gz	DQJQYHCPVBNNRN-UHFFFAOYSA-N	0	2	390.193	3.474	10	5		GGBELN
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N=c1nc(C2(C)CC2)[nH]s1	ZINC000600228304	566326430	/nfs/dbraw/zinc/32/64/30/566326430.db2.gz	UTFUJSVNYMCRDJ-UHFFFAOYSA-N	0	2	397.254	3.243	10	5		GGBELN
C[C@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1cccc([N+](=O)[O-])c1	ZINC000448012281	566455713	/nfs/dbraw/zinc/45/57/13/566455713.db2.gz	SKBPNPZKIUJGBZ-VIFPVBQESA-N	0	2	375.435	3.479	10	5		GGBELN
O=C(N[C@H]1CCc2c1cccc2Br)c1cccc(O)c1[N+](=O)[O-]	ZINC000538345757	566508713	/nfs/dbraw/zinc/50/87/13/566508713.db2.gz	PXLABWNZSMBBHW-ZDUSSCGKSA-N	0	2	377.194	3.480	10	5		GGBELN
O=C(N[C@@H]1CCc2c1cccc2Br)c1cccc(O)c1[N+](=O)[O-]	ZINC000538345755	566508774	/nfs/dbraw/zinc/50/87/74/566508774.db2.gz	PXLABWNZSMBBHW-CYBMUJFWSA-N	0	2	377.194	3.480	10	5		GGBELN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(-c2ccsc2)nn1C	ZINC000486564621	566599408	/nfs/dbraw/zinc/59/94/08/566599408.db2.gz	QQZVOZVIIDAUHC-UHFFFAOYSA-N	0	2	378.435	3.166	10	5		GGBELN
O=C(c1cccc(O)c1[N+](=O)[O-])N(CCO)Cc1ccc(Cl)c(Cl)c1	ZINC000540567542	566659244	/nfs/dbraw/zinc/65/92/44/566659244.db2.gz	YJHGOFUIZSYULO-UHFFFAOYSA-N	0	2	385.203	3.242	10	5		GGBELN
O=C([O-])c1csc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1	ZINC000426674130	566723466	/nfs/dbraw/zinc/72/34/66/566723466.db2.gz	IZDZLVBOHKXYID-UHFFFAOYSA-N	0	2	376.419	3.163	10	5		GGBELN
CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F	ZINC000469089783	566760363	/nfs/dbraw/zinc/76/03/63/566760363.db2.gz	WPAWJVLACBMLIY-VIFPVBQESA-N	0	2	380.266	3.233	10	5		GGBELN
COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000609657852	566778980	/nfs/dbraw/zinc/77/89/80/566778980.db2.gz	KEIHPKAEIRNDRU-UHFFFAOYSA-N	0	2	384.797	3.144	10	5		GGBELN
C[C@@H](C(=O)N=c1nc(-c2ccsc2)[nH]s1)c1ccc([N+](=O)[O-])cc1F	ZINC000542552681	566810516	/nfs/dbraw/zinc/81/05/16/566810516.db2.gz	ZVKWPZQUMGYLDB-MRVPVSSYSA-N	0	2	378.410	3.478	10	5		GGBELN
COc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)c(Cl)c2)c([N+](=O)[O-])c1	ZINC000543024012	566845566	/nfs/dbraw/zinc/84/55/66/566845566.db2.gz	VTFXEFBEGUELJF-UHFFFAOYSA-N	0	2	384.797	3.260	10	5		GGBELN
Cc1cc(C)c(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1[N+](=O)[O-]	ZINC000494488262	567004471	/nfs/dbraw/zinc/00/44/71/567004471.db2.gz	YOKPAXDTMPWDIF-UHFFFAOYSA-N	0	2	381.357	3.488	10	5		GGBELN
CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccnc1C(F)(F)F	ZINC000520468457	567006143	/nfs/dbraw/zinc/00/61/43/567006143.db2.gz	PSRLSEGEXADMDB-UHFFFAOYSA-N	0	2	375.328	3.372	10	5		GGBELN
O=C(N[C@H]1CCc2c1cccc2Br)c1cc(O)ccc1[N+](=O)[O-]	ZINC000495385300	567059297	/nfs/dbraw/zinc/05/92/97/567059297.db2.gz	KHWPOVKTBKBYDN-AWEZNQCLSA-N	0	2	377.194	3.480	10	5		GGBELN
O=C(NCCCc1cccc(Br)c1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000586776889	567096669	/nfs/dbraw/zinc/09/66/69/567096669.db2.gz	JRHJRZLBNHSAEB-UHFFFAOYSA-N	0	2	379.210	3.426	10	5		GGBELN
Cc1ncc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(C2CC2)n1	ZINC000500544258	567330821	/nfs/dbraw/zinc/33/08/21/567330821.db2.gz	HWFPSJWWQDDXCH-UHFFFAOYSA-N	0	2	382.829	3.333	10	5		GGBELN
CCC(CC)c1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)s1	ZINC000619507113	567461034	/nfs/dbraw/zinc/46/10/34/567461034.db2.gz	DSXBFLZQFJCXDV-UHFFFAOYSA-N	0	2	386.455	3.159	10	5		GGBELN
O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2ccccc2F)c1	ZINC000551117150	567480122	/nfs/dbraw/zinc/48/01/22/567480122.db2.gz	VFGBHWSWIBFVBE-UHFFFAOYSA-N	0	2	375.175	3.297	10	5		GGBELN
COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)cc1[N+](=O)[O-]	ZINC000437317122	567490941	/nfs/dbraw/zinc/49/09/41/567490941.db2.gz	YTMWUWNNGXBORA-UHFFFAOYSA-N	0	2	378.193	3.106	10	5		GGBELN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Br)cc2[nH]cnc21	ZINC000503523204	567491236	/nfs/dbraw/zinc/49/12/36/567491236.db2.gz	FRPCXDOZHYVKED-UHFFFAOYSA-N	0	2	377.154	3.192	10	5		GGBELN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Br)cc2nc[nH]c21	ZINC000503523204	567491242	/nfs/dbraw/zinc/49/12/42/567491242.db2.gz	FRPCXDOZHYVKED-UHFFFAOYSA-N	0	2	377.154	3.192	10	5		GGBELN
CC(C)CCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1	ZINC000594725707	567503215	/nfs/dbraw/zinc/50/32/15/567503215.db2.gz	GLFAZPLBGAPYPN-UHFFFAOYSA-N	0	2	390.874	3.489	10	5		GGBELN
COc1cc(F)c(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000570981924	567529122	/nfs/dbraw/zinc/52/91/22/567529122.db2.gz	BUMLSPWPTMDZCL-UHFFFAOYSA-N	0	2	378.740	3.336	10	5		GGBELN
O=C(N[C@H]1CCOc2c(Br)cccc21)c1ccc([N+](=O)[O-])c(O)c1	ZINC000504331470	567529947	/nfs/dbraw/zinc/52/99/47/567529947.db2.gz	HIWBTBGQQILTCE-LBPRGKRZSA-N	0	2	393.193	3.317	10	5		GGBELN
O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000552230893	567570670	/nfs/dbraw/zinc/57/06/70/567570670.db2.gz	FGZBRRYTVWLNTK-GXTWGEPZSA-N	0	2	377.194	3.349	10	5		GGBELN
O=C(Nc1ccc(I)cc1)c1cccc(O)c1[N+](=O)[O-]	ZINC000507932830	567716972	/nfs/dbraw/zinc/71/69/72/567716972.db2.gz	ADXUBBAAKMHHDZ-UHFFFAOYSA-N	0	2	384.129	3.157	10	5		GGBELN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(-c2cccnc2)s1	ZINC000508067173	567725532	/nfs/dbraw/zinc/72/55/32/567725532.db2.gz	HTMXOXRHNPUVHZ-UHFFFAOYSA-N	0	2	376.419	3.223	10	5		GGBELN
O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ncc(-c2cccnc2)s1	ZINC000508081225	567726622	/nfs/dbraw/zinc/72/66/22/567726622.db2.gz	BZAAXZBWRYTHMI-UHFFFAOYSA-N	0	2	376.419	3.055	10	5		GGBELN
O=C(NCCc1ccc(F)c(Br)c1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000508172814	567734331	/nfs/dbraw/zinc/73/43/31/567734331.db2.gz	FFHHCLDWDDVVDM-UHFFFAOYSA-N	0	2	383.173	3.175	10	5		GGBELN
C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-]	ZINC000508281912	567740955	/nfs/dbraw/zinc/74/09/55/567740955.db2.gz	ZVMNNCWGILDWGJ-JTQLQIEISA-N	0	2	379.210	3.424	10	5		GGBELN
CCOC(=O)c1ccc(NS(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1	ZINC000020491940	1399348056	/nfs/dbraw/zinc/34/80/56/1399348056.db2.gz	MFMYFTFBQIPJIL-UHFFFAOYSA-N	0	2	389.389	3.054	10	5		GGBELN