smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1sc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)cc1[N+](=O)[O-]	ZINC000056249292	823112226	/nfs/dbraw/zinc/11/22/26/823112226.db2.gz	CQYFRALZMMUFTD-UHFFFAOYSA-N	-1	1	380.838	4.389	20	5		GIBDMM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1C	ZINC000007323148	817817934	/nfs/dbraw/zinc/81/79/34/817817934.db2.gz	VNIRGLNFMJIWCS-UHFFFAOYSA-N	-1	1	388.417	4.327	20	5		GIBDMM
Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3C)c2)n1	ZINC000410340955	823467335	/nfs/dbraw/zinc/46/73/35/823467335.db2.gz	PMCPQLCGZUPAND-UHFFFAOYSA-N	-1	1	389.458	4.136	20	5		GIBDMM
CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c2ccccc12	ZINC000032585538	820972207	/nfs/dbraw/zinc/97/22/07/820972207.db2.gz	LFSFKLMBCKIHQB-UHFFFAOYSA-N	-1	1	386.429	4.336	20	5		GIBDMM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(Cl)c1	ZINC000032591650	820974428	/nfs/dbraw/zinc/97/44/28/820974428.db2.gz	OQVJLFGDJOROMP-UHFFFAOYSA-N	-1	1	384.841	4.145	20	5		GIBDMM
Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1	ZINC000184481663	822643164	/nfs/dbraw/zinc/64/31/64/822643164.db2.gz	SOBFKLZNJTXRKM-VIFPVBQESA-N	-1	1	397.200	4.253	20	5		GIBDMM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1Cl	ZINC000063911351	823710256	/nfs/dbraw/zinc/71/02/56/823710256.db2.gz	HEJUTOYANBKPOJ-UHFFFAOYSA-N	-1	1	398.721	4.207	20	5		GIBDMM
Cc1ccc(Cc2nnc([N-]C(=O)c3cccc(Cl)c3[N+](=O)[O-])s2)cc1	ZINC000176325164	823182152	/nfs/dbraw/zinc/18/21/52/823182152.db2.gz	GRWBBNMBPVQKNI-UHFFFAOYSA-N	-1	1	388.836	4.251	20	5		GIBDMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000007419369	817836354	/nfs/dbraw/zinc/83/63/54/817836354.db2.gz	YIHJMBFHBURIQM-UHFFFAOYSA-N	-1	1	375.233	4.319	20	5		GIBDMM
O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1csc([N+](=O)[O-])c1	ZINC000189757500	823489078	/nfs/dbraw/zinc/48/90/78/823489078.db2.gz	DNWDPZKKABUYGL-UHFFFAOYSA-N	-1	1	380.838	4.004	20	5		GIBDMM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1Cc1ccccc1	ZINC000031555894	820825545	/nfs/dbraw/zinc/82/55/45/820825545.db2.gz	CYZCIEMPPAIAFY-UHFFFAOYSA-N	-1	1	382.441	4.295	20	5		GIBDMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)cc1[N+](=O)[O-]	ZINC000032097499	820897607	/nfs/dbraw/zinc/89/76/07/820897607.db2.gz	FQAOBQQEGHPWCD-UHFFFAOYSA-N	-1	1	389.433	4.143	20	5		GIBDMM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1	ZINC000032591092	820973747	/nfs/dbraw/zinc/97/37/47/820973747.db2.gz	YYEZHPVLCCFTTM-UHFFFAOYSA-N	-1	1	376.434	4.025	20	5		GIBDMM
CSc1cccc(C(=O)[N-]c2nc(-c3cccs3)ns2)c1[N+](=O)[O-]	ZINC000186983732	822992283	/nfs/dbraw/zinc/99/22/83/822992283.db2.gz	IGJSNYONKRJPAD-UHFFFAOYSA-N	-1	1	378.460	4.149	20	5		GIBDMM
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2[O-])c1	ZINC000176436628	823207370	/nfs/dbraw/zinc/20/73/70/823207370.db2.gz	PFWXIIFGYJBOMT-UHFFFAOYSA-N	-1	1	383.223	4.037	20	5		GIBDMM
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2ccsc2)s1	ZINC000460467974	823399633	/nfs/dbraw/zinc/39/96/33/823399633.db2.gz	CAVLZSFERITKHO-UHFFFAOYSA-N	-1	1	380.838	4.389	20	5		GIBDMM
Cc1sc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)cc1[N+](=O)[O-]	ZINC000189755825	823488757	/nfs/dbraw/zinc/48/87/57/823488757.db2.gz	DQYTZYOUMODVTE-UHFFFAOYSA-N	-1	1	394.865	4.313	20	5		GIBDMM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(Cl)c1	ZINC000031669589	820842476	/nfs/dbraw/zinc/84/24/76/820842476.db2.gz	MGNBGQDXOWFMEW-UHFFFAOYSA-N	-1	1	384.841	4.145	20	5		GIBDMM
CSc1cccc(C(=O)[N-]c2nnc(-c3ccsc3)s2)c1[N+](=O)[O-]	ZINC000186233582	822863355	/nfs/dbraw/zinc/86/33/55/822863355.db2.gz	DYEACMHMELPCTH-UHFFFAOYSA-N	-1	1	378.460	4.149	20	5		GIBDMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1[N+](=O)[O-]	ZINC000026548239	820112592	/nfs/dbraw/zinc/11/25/92/820112592.db2.gz	ZREBMZVDMBQMHC-UHFFFAOYSA-N	-1	1	399.428	4.236	20	5		GIBDMM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)c1	ZINC000573355621	823483613	/nfs/dbraw/zinc/48/36/13/823483613.db2.gz	BLVRELFZXXGVFT-UHFFFAOYSA-N	-1	1	399.428	4.200	20	5		GIBDMM
O=C(Nc1nc2ccc(Cl)cc2n1Cc1ccccc1)c1ccc([N+](=O)[O-])[n-]1	ZINC000569028601	822870989	/nfs/dbraw/zinc/87/09/89/822870989.db2.gz	GKGDRAPCKHDPGY-UHFFFAOYSA-N	-1	1	395.806	4.227	20	5		GIBDMM
O=C([N-]c1c(F)cc(F)cc1F)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000176019403	823097399	/nfs/dbraw/zinc/09/73/99/823097399.db2.gz	JAEZYLOIFYQLEA-UHFFFAOYSA-N	-1	1	375.100	4.027	20	5		GIBDMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1[N+](=O)[O-]	ZINC000006316611	817675969	/nfs/dbraw/zinc/67/59/69/817675969.db2.gz	IKCAREBLOSAXBA-UHFFFAOYSA-N	-1	1	384.413	4.071	20	5		GIBDMM
Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(C)c([N+](=O)[O-])c3)c2)n1	ZINC000410334209	823466064	/nfs/dbraw/zinc/46/60/64/823466064.db2.gz	BTPRRCRBTSJUNJ-UHFFFAOYSA-N	-1	1	389.458	4.136	20	5		GIBDMM
Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2)cs1	ZINC000030530203	820633185	/nfs/dbraw/zinc/63/31/85/820633185.db2.gz	YSSXAYAAFQLKMI-UHFFFAOYSA-N	-1	1	389.458	4.136	20	5		GIBDMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)cc1[N+](=O)[O-]	ZINC000460832681	823524950	/nfs/dbraw/zinc/52/49/50/823524950.db2.gz	YHEPSOIFVRVJAM-UHFFFAOYSA-N	-1	1	394.424	4.165	20	5		GIBDMM
CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1	ZINC000180858411	821498373	/nfs/dbraw/zinc/49/83/73/821498373.db2.gz	TXUUKAHRZQTRGX-UHFFFAOYSA-N	-1	1	386.380	4.204	20	5		GIBDMM
CCOc1cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1[O-]	ZINC000192569289	824034519	/nfs/dbraw/zinc/03/45/19/824034519.db2.gz	IXCVSGJKHDZMPN-UHFFFAOYSA-N	-1	1	399.230	4.278	20	5		GIBDMM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1	ZINC000007053233	817748190	/nfs/dbraw/zinc/74/81/90/817748190.db2.gz	QITTWZROPBVNIF-UHFFFAOYSA-N	-1	1	380.731	4.068	20	5		GIBDMM
O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1csc([N+](=O)[O-])c1	ZINC000186098103	822851361	/nfs/dbraw/zinc/85/13/61/822851361.db2.gz	NPSQMOWVDCXOJC-UHFFFAOYSA-N	-1	1	384.801	4.220	20	5		GIBDMM
O=C([N-]c1nnc(SCc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1F	ZINC000054421272	822883610	/nfs/dbraw/zinc/88/36/10/822883610.db2.gz	VMRHZXARZTZXBR-UHFFFAOYSA-N	-1	1	390.421	4.130	20	5		GIBDMM
CCOc1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(Cl)c1[O-]	ZINC000186980399	822991531	/nfs/dbraw/zinc/99/15/31/822991531.db2.gz	XTCMGSIUQLECIY-UHFFFAOYSA-N	-1	1	390.823	4.157	20	5		GIBDMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1[N+](=O)[O-]	ZINC000063879464	823704879	/nfs/dbraw/zinc/70/48/79/823704879.db2.gz	WYHVZNCODHGLBQ-UHFFFAOYSA-N	-1	1	389.458	4.191	20	5		GIBDMM
O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1csc(-c2ccccc2F)n1	ZINC000064783449	823885991	/nfs/dbraw/zinc/88/59/91/823885991.db2.gz	VCMASBXKVJQBLF-UHFFFAOYSA-N	-1	1	379.319	4.388	20	5		GIBDMM
O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000121115216	823121248	/nfs/dbraw/zinc/12/12/48/823121248.db2.gz	BWPFYXVBTKXSLE-UHFFFAOYSA-N	-1	1	378.772	4.158	20	5		GIBDMM
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1	ZINC000189230072	823379240	/nfs/dbraw/zinc/37/92/40/823379240.db2.gz	DRLQCOQTQUCSAA-UHFFFAOYSA-N	-1	1	388.367	4.117	20	5		GIBDMM
O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1csc(Cc2ccccc2)n1	ZINC000123346415	823499729	/nfs/dbraw/zinc/49/97/29/823499729.db2.gz	BTWSIFFVURQEIU-UHFFFAOYSA-N	-1	1	375.356	4.173	20	5		GIBDMM
O=C([N-]c1nc(-c2cccs2)ns1)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000182114070	822099485	/nfs/dbraw/zinc/09/94/85/822099485.db2.gz	LLRWNFAUMVTUQA-UHFFFAOYSA-N	-1	1	398.372	4.029	20	5		GIBDMM
Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2Br)c([N+](=O)[O-])c1	ZINC000461127260	823582953	/nfs/dbraw/zinc/58/29/53/823582953.db2.gz	KJYOWKKFLQMMFI-UHFFFAOYSA-N	-1	1	399.266	4.083	20	5		GIBDMM
O=C([N-]c1ncn(C2CCCCC2)n1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-]	ZINC000413692389	823818930	/nfs/dbraw/zinc/81/89/30/823818930.db2.gz	CMRMZXXRIHQIII-UHFFFAOYSA-N	-1	1	392.419	4.006	20	5		GIBDMM
O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000176305234	823177375	/nfs/dbraw/zinc/17/73/75/823177375.db2.gz	VFYAXKKUDQZEDN-UHFFFAOYSA-N	-1	1	392.799	4.082	20	5		GIBDMM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1C	ZINC000060436774	823527583	/nfs/dbraw/zinc/52/75/83/823527583.db2.gz	IOKSILLAMJTADY-UHFFFAOYSA-N	-1	1	375.233	4.319	20	5		GIBDMM
O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1csc([N+](=O)[O-])c1	ZINC000042568471	821311221	/nfs/dbraw/zinc/31/12/21/821311221.db2.gz	BULKUUGEKXTIDD-UHFFFAOYSA-N	-1	1	390.490	4.228	20	5		GIBDMM
O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1csc([N+](=O)[O-])c1	ZINC000044282153	821559592	/nfs/dbraw/zinc/55/95/92/821559592.db2.gz	HLALWCQOWFJMME-UHFFFAOYSA-N	-1	1	396.450	4.192	20	5		GIBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1ccsc1	ZINC000052129355	822790939	/nfs/dbraw/zinc/79/09/39/822790939.db2.gz	LEOZOMXGRIYFHL-UHFFFAOYSA-N	-1	1	389.458	4.069	20	5		GIBDMM
COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1C	ZINC000574388213	823716766	/nfs/dbraw/zinc/71/67/66/823716766.db2.gz	IURMTRZMCPFSTL-UHFFFAOYSA-N	-1	1	391.232	4.019	20	5		GIBDMM
Cc1cc2cc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc2[nH]1	ZINC000031721879	820851665	/nfs/dbraw/zinc/85/16/65/820851665.db2.gz	WGHLZBAFMSBTCK-UHFFFAOYSA-N	-1	1	379.825	4.147	20	5		GIBDMM
O=C([N-]c1c(F)cc(Cl)cc1F)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000183362102	822463821	/nfs/dbraw/zinc/46/38/21/822463821.db2.gz	NFLHIUJCAOMOMT-UHFFFAOYSA-N	-1	1	378.665	4.380	20	5		GIBDMM
CC(C)c1ncsc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-]	ZINC000456434373	822806661	/nfs/dbraw/zinc/80/66/61/822806661.db2.gz	HMKGXXXNKOCLIT-UHFFFAOYSA-N	-1	1	376.257	4.251	20	5		GIBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1cccs1	ZINC000007983328	817975708	/nfs/dbraw/zinc/97/57/08/817975708.db2.gz	XRQLAHQGBRLTNE-UHFFFAOYSA-N	-1	1	389.458	4.069	20	5		GIBDMM
CSc1cccc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)c1[N+](=O)[O-]	ZINC000186468516	822900321	/nfs/dbraw/zinc/90/03/21/822900321.db2.gz	HAZDHPGGYUYKBE-UHFFFAOYSA-N	-1	1	386.458	4.011	20	5		GIBDMM
CCCCCc1nnc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])s1	ZINC000175517603	822989151	/nfs/dbraw/zinc/98/91/51/822989151.db2.gz	SHBXGRHNUOBILG-UHFFFAOYSA-N	-1	1	399.270	4.194	20	5		GIBDMM
Cc1ccc(-c2nsc([N-]C(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)s1	ZINC000175803774	823044096	/nfs/dbraw/zinc/04/40/96/823044096.db2.gz	QFODMSXILKXYBH-UHFFFAOYSA-N	-1	1	380.838	4.389	20	5		GIBDMM
Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1	ZINC000191787940	823768391	/nfs/dbraw/zinc/76/83/91/823768391.db2.gz	HFTPGVPCBWAXFO-UHFFFAOYSA-N	-1	1	388.367	4.117	20	5		GIBDMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1ncco1	ZINC000164750994	823818283	/nfs/dbraw/zinc/81/82/83/823818283.db2.gz	MKGNKKRUFLMCNE-UHFFFAOYSA-N	-1	1	393.808	4.012	20	5		GIBDMM
Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cs1	ZINC000005089964	817550997	/nfs/dbraw/zinc/55/09/97/817550997.db2.gz	IDBWAUJNEWLVQE-UHFFFAOYSA-N	-1	1	389.458	4.136	20	5		GIBDMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1[N+](=O)[O-]	ZINC000028260146	820321263	/nfs/dbraw/zinc/32/12/63/820321263.db2.gz	ODGUZTOBSBMODQ-UHFFFAOYSA-N	-1	1	376.434	4.025	20	5		GIBDMM
Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000055619516	822988414	/nfs/dbraw/zinc/98/84/14/822988414.db2.gz	CJNLRZJVOWINTM-UHFFFAOYSA-N	-1	1	399.266	4.083	20	5		GIBDMM
CCC(CC)c1nnc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])s1	ZINC000175518272	822989352	/nfs/dbraw/zinc/98/93/52/822989352.db2.gz	RRJXHXXTDQLUOR-UHFFFAOYSA-N	-1	1	399.270	4.365	20	5		GIBDMM
COc1cccc(-c2nsc([N-]C(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)c1	ZINC000175810038	823045395	/nfs/dbraw/zinc/04/53/95/823045395.db2.gz	KVUUOLSUEDGXER-UHFFFAOYSA-N	-1	1	390.808	4.028	20	5		GIBDMM
COc1ccc(S(=O)(=O)[N-]c2ccc3oc4ccccc4c3c2)cc1[N+](=O)[O-]	ZINC000007056007	817748569	/nfs/dbraw/zinc/74/85/69/817748569.db2.gz	AWVPMXAOSYVKJG-UHFFFAOYSA-N	-1	1	398.396	4.304	20	5		GIBDMM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1Cl	ZINC000007428311	817838254	/nfs/dbraw/zinc/83/82/54/817838254.db2.gz	FJYASDUJGBLGCE-UHFFFAOYSA-N	-1	1	380.731	4.068	20	5		GIBDMM
CSc1nc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2s1	ZINC000016153986	818398222	/nfs/dbraw/zinc/39/82/22/818398222.db2.gz	YOSDSECBABFTKC-UHFFFAOYSA-N	-1	1	395.487	4.036	20	5		GIBDMM
O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1ccc(F)cc1[N+](=O)[O-]	ZINC000186101234	822851670	/nfs/dbraw/zinc/85/16/70/822851670.db2.gz	ONYVTFOKVWXWCL-UHFFFAOYSA-N	-1	1	396.762	4.297	20	5		GIBDMM
Cc1cc(Cl)cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1[O-]	ZINC000175240403	822911706	/nfs/dbraw/zinc/91/17/06/822911706.db2.gz	AJSRTDNDKTVWMP-UHFFFAOYSA-N	-1	1	385.601	4.277	20	5		GIBDMM
O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1c(F)c(F)cc(F)c1F	ZINC000175647117	823012575	/nfs/dbraw/zinc/01/25/75/823012575.db2.gz	VHYSZLPLPZZEGC-UHFFFAOYSA-N	-1	1	380.200	4.005	20	5		GIBDMM
O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1csc(-c2ccc(F)cc2)n1	ZINC000124942037	823639069	/nfs/dbraw/zinc/63/90/69/823639069.db2.gz	ZJVBAIKLFJHDJS-UHFFFAOYSA-N	-1	1	379.319	4.388	20	5		GIBDMM
COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1Cl	ZINC000007419175	817836501	/nfs/dbraw/zinc/83/65/01/817836501.db2.gz	DALSXEOIHLJLMA-UHFFFAOYSA-N	-1	1	391.232	4.019	20	5		GIBDMM
O=C(c1cc2ccccc2cc1[O-])N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000174808834	822840412	/nfs/dbraw/zinc/84/04/12/822840412.db2.gz	CJKXBHBYPGIPFR-UHFFFAOYSA-N	-1	1	392.411	4.137	20	5		GIBDMM
CCOc1cc([N-]C(=O)c2occc2Br)c([N+](=O)[O-])cc1OCC	ZINC000176599353	823245250	/nfs/dbraw/zinc/24/52/50/823245250.db2.gz	XPGDONZHSFKDMQ-UHFFFAOYSA-N	-1	1	399.197	4.000	20	5		GIBDMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C2SCCS2)c1	ZINC000017319995	818509112	/nfs/dbraw/zinc/50/91/12/818509112.db2.gz	GPIGUOACQCXWFW-UHFFFAOYSA-N	-1	1	396.515	4.183	20	5		GIBDMM
O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000410016545	823372016	/nfs/dbraw/zinc/37/20/16/823372016.db2.gz	UXQYRQPRVNZQIV-UHFFFAOYSA-N	-1	1	392.799	4.082	20	5		GIBDMM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2cnc(C3CC3)o2)cc1	ZINC000030530638	820633170	/nfs/dbraw/zinc/63/31/70/820633170.db2.gz	XFXUNCHRXADKHG-UHFFFAOYSA-N	-1	1	399.428	4.236	20	5		GIBDMM
COc1ccc(-c2nsc([N-]C(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)cc1	ZINC000175810896	823045602	/nfs/dbraw/zinc/04/56/02/823045602.db2.gz	ZCJMQYJWVBUSJV-UHFFFAOYSA-N	-1	1	390.808	4.028	20	5		GIBDMM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C)ccc2SCC(F)(F)F)n1	ZINC000191624076	823717028	/nfs/dbraw/zinc/71/70/28/823717028.db2.gz	WAJNLEIMOSTLJA-UHFFFAOYSA-N	-1	1	388.371	4.026	20	5		GIBDMM
CSc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000461878896	823735415	/nfs/dbraw/zinc/73/54/15/823735415.db2.gz	WIEFIDZPEWNJJM-SNVBAGLBSA-N	-1	1	386.882	4.010	20	5		GIBDMM
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000007417706	817835884	/nfs/dbraw/zinc/83/58/84/817835884.db2.gz	LCIUABGGRJSOJA-UHFFFAOYSA-N	-1	1	375.233	4.319	20	5		GIBDMM
CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3ccccc3)s2)c1	ZINC000024465976	819060531	/nfs/dbraw/zinc/06/05/31/819060531.db2.gz	RFRSSMNIZIEGDQ-UHFFFAOYSA-N	-1	1	386.458	4.011	20	5		GIBDMM
O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1F	ZINC000189788511	823494735	/nfs/dbraw/zinc/49/47/35/823494735.db2.gz	CEUVLASLYVFLEF-UHFFFAOYSA-N	-1	1	392.799	4.082	20	5		GIBDMM
COc1ccc(-c2csc3[n-]c(-c4ccc([N+](=O)[O-])s4)nc(=O)c23)cc1	ZINC000165049367	823832247	/nfs/dbraw/zinc/83/22/47/823832247.db2.gz	AUEGZYWWEOVLLD-UHFFFAOYSA-N	-1	1	385.426	4.297	20	5		GIBDMM
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1	ZINC000188268516	823211698	/nfs/dbraw/zinc/21/16/98/823211698.db2.gz	NMKUJNYKEPQZNV-SNVBAGLBSA-N	-1	1	395.337	4.080	20	5		GIBDMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000007417747	817835808	/nfs/dbraw/zinc/83/58/08/817835808.db2.gz	IAYJSTSPWFXXPJ-UHFFFAOYSA-N	-1	1	375.233	4.319	20	5		GIBDMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1[N+](=O)[O-]	ZINC000031721518	820851000	/nfs/dbraw/zinc/85/10/00/820851000.db2.gz	CXJXVRIIXULXEL-UHFFFAOYSA-N	-1	1	384.841	4.145	20	5		GIBDMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(F)c1	ZINC000460827646	823523882	/nfs/dbraw/zinc/52/38/82/823523882.db2.gz	KQDYIWOCBRXPRO-UHFFFAOYSA-N	-1	1	394.424	4.165	20	5		GIBDMM
CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C(CC)CC)s2)cc1OC	ZINC000039518160	821109839	/nfs/dbraw/zinc/10/98/39/821109839.db2.gz	ZBNAFIPCVOKJLL-UHFFFAOYSA-N	-1	1	394.453	4.010	20	5		GIBDMM
O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(-c2ccccc2)no1	ZINC000042918016	821344331	/nfs/dbraw/zinc/34/43/31/821344331.db2.gz	IBWNHYNVTQCIPM-UHFFFAOYSA-N	-1	1	375.287	4.104	20	5		GIBDMM
CSc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1Cl	ZINC000185649608	822806665	/nfs/dbraw/zinc/80/66/65/822806665.db2.gz	UPRNZXQYAFDLGR-UHFFFAOYSA-N	-1	1	386.882	4.388	20	5		GIBDMM
O=C(c1ccc2ccccc2c1[O-])N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000174807463	822840104	/nfs/dbraw/zinc/84/01/04/822840104.db2.gz	CDWNSUZCSIABHX-UHFFFAOYSA-N	-1	1	392.411	4.137	20	5		GIBDMM
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1[N+](=O)[O-]	ZINC000063849473	823701914	/nfs/dbraw/zinc/70/19/14/823701914.db2.gz	ZDLJJFVZFYRCFS-UHFFFAOYSA-N	-1	1	398.868	4.282	20	5		GIBDMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	ZINC000121728040	823238325	/nfs/dbraw/zinc/23/83/25/823238325.db2.gz	SSYAURNAJPXLIG-UHFFFAOYSA-N	-1	1	397.460	4.162	20	5		GIBDMM
Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2)cs1	ZINC000030530148	820633241	/nfs/dbraw/zinc/63/32/41/820633241.db2.gz	XMKFVSSXLMYDSW-UHFFFAOYSA-N	-1	1	389.458	4.136	20	5		GIBDMM
O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(F)cc1[N+](=O)[O-]	ZINC000189803533	823497365	/nfs/dbraw/zinc/49/73/65/823497365.db2.gz	IFLVZZVBDNMVQH-UHFFFAOYSA-N	-1	1	392.799	4.082	20	5		GIBDMM
CC(C)c1nn(C)c2sc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)cc12	ZINC000175099815	822882102	/nfs/dbraw/zinc/88/21/02/822882102.db2.gz	NPBTZAHPUXSTAI-UHFFFAOYSA-N	-1	1	380.376	4.197	20	5		GIBDMM
CSc1cccc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)c1[N+](=O)[O-]	ZINC000186450479	822897645	/nfs/dbraw/zinc/89/76/45/822897645.db2.gz	YWMLZOHFOWEBQE-UHFFFAOYSA-N	-1	1	392.487	4.457	20	5		GIBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC1CCCCC1	ZINC000008055689	817989633	/nfs/dbraw/zinc/98/96/33/817989633.db2.gz	QDJVIUOBISCCDG-UHFFFAOYSA-N	-1	1	375.450	4.140	20	5		GIBDMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)cc1[N+](=O)[O-]	ZINC000017320064	818509185	/nfs/dbraw/zinc/50/91/85/818509185.db2.gz	AVILQWPJZOQDBM-UHFFFAOYSA-N	-1	1	396.515	4.183	20	5		GIBDMM
CCOc1cc(C(=O)[N-]c2nnc(C(CC)CC)s2)c([N+](=O)[O-])cc1OC	ZINC000025578128	820004218	/nfs/dbraw/zinc/00/42/18/820004218.db2.gz	RNOYJHKBYDMBSK-UHFFFAOYSA-N	-1	1	394.453	4.010	20	5		GIBDMM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1	ZINC000030530457	820633114	/nfs/dbraw/zinc/63/31/14/820633114.db2.gz	RVJWFOTUSBHNMP-UHFFFAOYSA-N	-1	1	376.434	4.025	20	5		GIBDMM
O=C([N-]c1c(F)cc(F)cc1F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000175297789	822927823	/nfs/dbraw/zinc/92/78/23/822927823.db2.gz	YLXGEJKPVDLMOV-UHFFFAOYSA-N	-1	1	379.319	4.388	20	5		GIBDMM
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1	ZINC000569866560	822978272	/nfs/dbraw/zinc/97/82/72/822978272.db2.gz	QDSPQNIUZODNHI-UHFFFAOYSA-N	-1	1	388.367	4.063	20	5		GIBDMM
CCc1noc(C)c1[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl	ZINC000126996468	823997357	/nfs/dbraw/zinc/99/73/57/823997357.db2.gz	PEWARCBGTVPDNA-UHFFFAOYSA-N	-1	1	388.605	4.122	20	5		GIBDMM
O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1ccc([N+](=O)[O-])cc1F	ZINC000056249044	823112208	/nfs/dbraw/zinc/11/22/08/823112208.db2.gz	YEUIOQAGKIBRGK-UHFFFAOYSA-N	-1	1	378.772	4.158	20	5		GIBDMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000007053285	817748021	/nfs/dbraw/zinc/74/80/21/817748021.db2.gz	QQXKDNLHMMRMSR-UHFFFAOYSA-N	-1	1	394.758	4.376	20	5		GIBDMM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Br)cc2C)c1C	ZINC000007323975	817817921	/nfs/dbraw/zinc/81/79/21/817817921.db2.gz	BPXXZDADARGFHI-UHFFFAOYSA-N	-1	1	399.266	4.083	20	5		GIBDMM
Cc1ccc(-c2cc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3OC(F)F)on2)cc1	ZINC000042918059	821344554	/nfs/dbraw/zinc/34/45/54/821344554.db2.gz	AQTNZGWNMSHPQY-UHFFFAOYSA-N	-1	1	389.314	4.412	20	5		GIBDMM
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1[N+](=O)[O-]	ZINC000048230584	822647258	/nfs/dbraw/zinc/64/72/58/822647258.db2.gz	VTPROTGOTJDGJP-UHFFFAOYSA-N	-1	1	393.808	4.012	20	5		GIBDMM
Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000461113825	823580119	/nfs/dbraw/zinc/58/01/19/823580119.db2.gz	NSGCTKHSTMOHQJ-UHFFFAOYSA-N	-1	1	394.758	4.376	20	5		GIBDMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2c(Cl)cccc2Cl)CC1	ZINC000574682323	823800413	/nfs/dbraw/zinc/80/04/13/823800413.db2.gz	KTBAFJYPISNQHN-UHFFFAOYSA-N	-1	1	396.230	4.022	20	5		GIBDMM
COc1cc(C(=O)[N-]c2cc(Cl)ccc2SC)c([N+](=O)[O-])cc1OC	ZINC000064848641	823899348	/nfs/dbraw/zinc/89/93/48/823899348.db2.gz	QNNPEMIQBSIGBN-UHFFFAOYSA-N	-1	1	382.825	4.240	20	5		GIBDMM
Cc1ccc(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])cc1	ZINC000007982074	817975192	/nfs/dbraw/zinc/97/51/92/817975192.db2.gz	KKWRNYYUKRFWNL-UHFFFAOYSA-N	-1	1	397.456	4.316	20	5		GIBDMM
CCOc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(Cl)c1[O-]	ZINC000186892464	822975753	/nfs/dbraw/zinc/97/57/53/822975753.db2.gz	ICNPQEWIYHDDBB-UHFFFAOYSA-N	-1	1	390.823	4.157	20	5		GIBDMM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1	ZINC000063879324	823704819	/nfs/dbraw/zinc/70/48/19/823704819.db2.gz	DFJVNFDITWBXLD-UHFFFAOYSA-N	-1	1	389.458	4.191	20	5		GIBDMM
CCCOc1cc([N-]C(=O)c2ncc(F)cc2F)c([N+](=O)[O-])cc1OCCC	ZINC000192098707	823859454	/nfs/dbraw/zinc/85/94/54/823859454.db2.gz	KDMLNULEPLTBSJ-UHFFFAOYSA-N	-1	1	395.362	4.098	20	5		GIBDMM
COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1	ZINC000056248858	823111880	/nfs/dbraw/zinc/11/18/80/823111880.db2.gz	YSMLPNMXXBLHMJ-UHFFFAOYSA-N	-1	1	390.808	4.028	20	5		GIBDMM
O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(-c2cccc(F)c2)no1	ZINC000042918058	821344408	/nfs/dbraw/zinc/34/44/08/821344408.db2.gz	OFUXJRFHFKRIJF-UHFFFAOYSA-N	-1	1	393.277	4.243	20	5		GIBDMM
COc1ccc(-c2ncc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)s2)cc1	ZINC000175100028	822882258	/nfs/dbraw/zinc/88/22/58/822882258.db2.gz	PFCDVNUGKOUPDH-UHFFFAOYSA-N	-1	1	391.355	4.257	20	5		GIBDMM
CCOc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1[O-]	ZINC000186854172	822968534	/nfs/dbraw/zinc/96/85/34/822968534.db2.gz	AXLSKPBGVWNISB-UHFFFAOYSA-N	-1	1	378.812	4.018	20	5		GIBDMM
CSc1ccc(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)cc1[N+](=O)[O-]	ZINC000461106291	823578620	/nfs/dbraw/zinc/57/86/20/823578620.db2.gz	GGWRDOOEUJDNBP-UHFFFAOYSA-N	-1	1	384.335	4.189	20	5		GIBDMM
O=C([N-]c1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ncc(F)cc1F	ZINC000190786183	823608841	/nfs/dbraw/zinc/60/88/41/823608841.db2.gz	GYGJWUPUBDLUNX-UHFFFAOYSA-N	-1	1	385.326	4.099	20	5		GIBDMM
CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000124952024	823639887	/nfs/dbraw/zinc/63/98/87/823639887.db2.gz	RTNQDPHWIYIRPK-UHFFFAOYSA-N	-1	1	387.820	4.008	20	5		GIBDMM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)cc1	ZINC000065079733	823937211	/nfs/dbraw/zinc/93/72/11/823937211.db2.gz	NNHOLNZVIQJDGC-UHFFFAOYSA-N	-1	1	399.428	4.145	20	5		GIBDMM
O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1csc(Cc2ccc(F)cc2)n1	ZINC000170702109	823946405	/nfs/dbraw/zinc/94/64/05/823946405.db2.gz	INIZFHOUHNKUMD-UHFFFAOYSA-N	-1	1	393.346	4.312	20	5		GIBDMM
O=C([N-]c1nnc(Cc2ccccc2F)s1)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000176320518	823181273	/nfs/dbraw/zinc/18/12/73/823181273.db2.gz	GEVVAMVJAUDIIR-UHFFFAOYSA-N	-1	1	392.799	4.082	20	5		GIBDMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1[N+](=O)[O-]	ZINC000007057553	817749451	/nfs/dbraw/zinc/74/94/51/817749451.db2.gz	OOUKRJMTOIEHTR-UHFFFAOYSA-N	-1	1	382.441	4.295	20	5		GIBDMM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1	ZINC000030529873	820633347	/nfs/dbraw/zinc/63/33/47/820633347.db2.gz	IUDCPXQFRDYZNW-UHFFFAOYSA-N	-1	1	394.758	4.376	20	5		GIBDMM
O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1ccc([N+](=O)[O-])cc1F	ZINC000186087197	822850396	/nfs/dbraw/zinc/85/03/96/822850396.db2.gz	KEDOWTCCFVNEFZ-UHFFFAOYSA-N	-1	1	396.762	4.297	20	5		GIBDMM
O=C([N-]c1c(F)cc(F)cc1F)c1csc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000175303705	822929843	/nfs/dbraw/zinc/92/98/43/822929843.db2.gz	NMTKAPRFRFMAAT-UHFFFAOYSA-N	-1	1	379.319	4.388	20	5		GIBDMM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)c1C	ZINC000065079880	823937801	/nfs/dbraw/zinc/93/78/01/823937801.db2.gz	JOTMFUBXBSXGBJ-UHFFFAOYSA-N	-1	1	399.428	4.200	20	5		GIBDMM
O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1csc(-c2c(F)cccc2F)n1	ZINC000171025004	824041187	/nfs/dbraw/zinc/04/11/87/824041187.db2.gz	SAEBDVKMABMTDX-UHFFFAOYSA-N	-1	1	379.319	4.388	20	5		GIBDMM
Cc1ccccc1CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-]	ZINC000007109528	817762933	/nfs/dbraw/zinc/76/29/33/817762933.db2.gz	UEHOEEUBSHICHX-UHFFFAOYSA-N	-1	1	397.456	4.316	20	5		GIBDMM
O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cc2cc([N+](=O)[O-])ccc2o1	ZINC000410029989	823374374	/nfs/dbraw/zinc/37/43/74/823374374.db2.gz	MFGAJYUIUAFXRA-UHFFFAOYSA-N	-1	1	398.375	4.175	20	5		GIBDMM
COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)ccc2SCC(F)F)c1	ZINC000122649994	823387949	/nfs/dbraw/zinc/38/79/49/823387949.db2.gz	MBODBPLABQFZIX-UHFFFAOYSA-N	-1	1	386.351	4.352	20	5		GIBDMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(Cl)c1	ZINC000031721567	820851164	/nfs/dbraw/zinc/85/11/64/820851164.db2.gz	PODURHRDDUUFFT-UHFFFAOYSA-N	-1	1	384.841	4.145	20	5		GIBDMM
CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3nc(C4CC4)sc3c2)s1	ZINC000181496450	821853359	/nfs/dbraw/zinc/85/33/59/821853359.db2.gz	YGEDUSUNBFGDJQ-UHFFFAOYSA-N	-1	1	395.487	4.291	20	5		GIBDMM
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(F)(F)F)s1	ZINC000180147379	822626530	/nfs/dbraw/zinc/62/65/30/822626530.db2.gz	IMBZJCWRCMZTPF-UHFFFAOYSA-N	-1	1	392.384	4.218	20	5		GIBDMM
CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(Cl)cc2F)cc1OC	ZINC000180343012	822666790	/nfs/dbraw/zinc/66/67/90/822666790.db2.gz	OUPIFWAZAITVKI-UHFFFAOYSA-N	-1	1	386.738	4.186	20	5		GIBDMM
CCOc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(Cl)c1[O-]	ZINC000186881138	822973942	/nfs/dbraw/zinc/97/39/42/822973942.db2.gz	SFJCIKCBSIMEIS-UHFFFAOYSA-N	-1	1	390.823	4.157	20	5		GIBDMM
Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)cc1[N+](=O)[O-]	ZINC000055619557	822988507	/nfs/dbraw/zinc/98/85/07/822988507.db2.gz	UIQLDIGDJBRRTO-UHFFFAOYSA-N	-1	1	399.266	4.083	20	5		GIBDMM
COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1	ZINC000191840427	823792851	/nfs/dbraw/zinc/79/28/51/823792851.db2.gz	UOAIQWFPHWABOQ-UHFFFAOYSA-N	-1	1	396.384	4.120	20	5		GIBDMM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1Cl	ZINC000007428280	817838345	/nfs/dbraw/zinc/83/83/45/817838345.db2.gz	LXDSFANEWMOXAG-UHFFFAOYSA-N	-1	1	381.624	4.356	20	5		GIBDMM
CCn1c(=O)c2cc3ccccc3cc2nc1SCC(=O)c1ccc([O-])cc1	ZINC000007854109	817939128	/nfs/dbraw/zinc/93/91/28/817939128.db2.gz	CNPOCJFQKGNGAZ-UHFFFAOYSA-N	-1	1	390.464	4.250	20	5		GIBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1Cl	ZINC000016130121	818395740	/nfs/dbraw/zinc/39/57/40/818395740.db2.gz	XZWCMXCLZMALTF-UHFFFAOYSA-N	-1	1	380.731	4.068	20	5		GIBDMM
CCc1[nH]nc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)c1[N+](=O)[O-]	ZINC000185694927	822810892	/nfs/dbraw/zinc/81/08/92/822810892.db2.gz	ZXDAOLMHJWCTGO-UHFFFAOYSA-N	-1	1	390.799	4.143	20	5		GIBDMM
O=C([N-]c1c(F)cc(F)cc1F)c1ccc([N+](=O)[O-])cc1Br	ZINC000175307358	822930916	/nfs/dbraw/zinc/93/09/16/822930916.db2.gz	YHIUHOYNQYDRPG-UHFFFAOYSA-N	-1	1	375.100	4.027	20	5		GIBDMM
CC(C)(c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccccc1Br	ZINC000570764423	823083224	/nfs/dbraw/zinc/08/32/24/823083224.db2.gz	LFNMVELFDFJFIM-UHFFFAOYSA-N	-1	1	377.198	4.061	20	5		GIBDMM
O=C(COC(=O)c1c2ccccc2cc2ccccc21)[N-]C(=O)c1ccccc1	ZINC000006643785	817714890	/nfs/dbraw/zinc/71/48/90/817714890.db2.gz	FSYHKZFVTMFRET-UHFFFAOYSA-N	-1	1	383.403	4.106	20	5		GIBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(Cl)c2)c1	ZINC000409873035	823332397	/nfs/dbraw/zinc/33/23/97/823332397.db2.gz	XSOJRDKIYYJYSA-UHFFFAOYSA-N	-1	1	396.852	4.370	20	5		GIBDMM
Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1	ZINC000180159330	822629463	/nfs/dbraw/zinc/62/94/63/822629463.db2.gz	BTYSDHGCMRDNEO-UHFFFAOYSA-N	-1	1	392.330	4.170	20	5		GIBDMM
Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000180160605	822629644	/nfs/dbraw/zinc/62/96/44/822629644.db2.gz	LJXSTFWMFOGECB-UHFFFAOYSA-N	-1	1	375.233	4.319	20	5		GIBDMM
CSc1cccc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)c1[N+](=O)[O-]	ZINC000186911250	822978515	/nfs/dbraw/zinc/97/85/15/822978515.db2.gz	SOAYVQGSKNRGFZ-BQYQJAHWSA-N	-1	1	388.430	4.184	20	5		GIBDMM
O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000063096828	823651573	/nfs/dbraw/zinc/65/15/73/823651573.db2.gz	BTNABBWDIRMIAH-UHFFFAOYSA-N	-1	1	392.346	4.235	20	5		GIBDMM
Cc1cc(N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000570724547	823076259	/nfs/dbraw/zinc/07/62/59/823076259.db2.gz	DTRMOLADDROSSN-UHFFFAOYSA-N	-1	1	397.475	4.047	20	5		GIBDMM
O=C([N-]c1nnc(-c2ccsc2)s1)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000181422214	821818491	/nfs/dbraw/zinc/81/84/91/821818491.db2.gz	QXRDANAQFRRGEH-UHFFFAOYSA-N	-1	1	398.372	4.029	20	5		GIBDMM
O=[N+]([O-])c1ccc(-c2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)[n-]1	ZINC000574486084	823744518	/nfs/dbraw/zinc/74/45/18/823744518.db2.gz	SOYXOXBSXNPGFN-UHFFFAOYSA-N	-1	1	391.265	4.314	20	5		GIBDMM
O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	ZINC000126389785	823854555	/nfs/dbraw/zinc/85/45/55/823854555.db2.gz	DRAJDXKMPYIBHA-UHFFFAOYSA-N	-1	1	391.208	4.052	20	5		GIBDMM
CCOc1cc([N-]C(=O)c2cc(Br)co2)c([N+](=O)[O-])cc1OCC	ZINC000459898687	823270727	/nfs/dbraw/zinc/27/07/27/823270727.db2.gz	KKTGJPJJRHRKJD-UHFFFAOYSA-N	-1	1	399.197	4.000	20	5		GIBDMM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C	ZINC000060436728	823527541	/nfs/dbraw/zinc/52/75/41/823527541.db2.gz	QLVWDWFLWJPBGT-UHFFFAOYSA-N	-1	1	375.233	4.319	20	5		GIBDMM
Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1	ZINC000184481679	822643429	/nfs/dbraw/zinc/64/34/29/822643429.db2.gz	SOBFKLZNJTXRKM-SECBINFHSA-N	-1	1	397.200	4.253	20	5		GIBDMM
O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1ccc(F)cc1[N+](=O)[O-]	ZINC000123904449	823550527	/nfs/dbraw/zinc/55/05/27/823550527.db2.gz	QGJVCJZBWWTAJA-UHFFFAOYSA-N	-1	1	378.772	4.158	20	5		GIBDMM
O=C([N-]c1nnc(SCc2cccs2)s1)c1ccc([N+](=O)[O-])cc1F	ZINC000063097540	823651515	/nfs/dbraw/zinc/65/15/15/823651515.db2.gz	PRWOKUHARACTOM-UHFFFAOYSA-N	-1	1	396.450	4.192	20	5		GIBDMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1	ZINC000575943137	824033460	/nfs/dbraw/zinc/03/34/60/824033460.db2.gz	IITIQNORODPEAJ-UHFFFAOYSA-N	-1	1	386.452	4.246	20	5		GIBDMM
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1	ZINC000188268496	823211739	/nfs/dbraw/zinc/21/17/39/823211739.db2.gz	NMKUJNYKEPQZNV-JTQLQIEISA-N	-1	1	395.337	4.080	20	5		GIBDMM
CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccs3)ns2)c1	ZINC000182143981	822115735	/nfs/dbraw/zinc/11/57/35/822115735.db2.gz	DFVUKOPRAMDGFR-UHFFFAOYSA-N	-1	1	378.460	4.149	20	5		GIBDMM
CCOc1cc(C(=O)[N-]c2c(F)cc(Cl)cc2F)c([N+](=O)[O-])cc1OC	ZINC000180337329	822665805	/nfs/dbraw/zinc/66/58/05/822665805.db2.gz	HPKAFXGKKROBMH-UHFFFAOYSA-N	-1	1	386.738	4.186	20	5		GIBDMM
CCOc1cc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1[O-]	ZINC000186851543	822967929	/nfs/dbraw/zinc/96/79/29/822967929.db2.gz	SFMKJXYAGVAQPM-NSHDSACASA-N	-1	1	378.812	4.152	20	5		GIBDMM
CSc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1[N+](=O)[O-]	ZINC000188186175	823199995	/nfs/dbraw/zinc/19/99/95/823199995.db2.gz	TWIJVBPFJCORDU-UHFFFAOYSA-N	-1	1	383.223	4.037	20	5		GIBDMM
CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C3CCCCC3)s2)c1	ZINC000018234594	818559385	/nfs/dbraw/zinc/55/93/85/818559385.db2.gz	MRTCJVDIDMXSRS-UHFFFAOYSA-N	-1	1	378.479	4.468	20	5		GIBDMM
Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)cs1	ZINC000018895416	818579791	/nfs/dbraw/zinc/57/97/91/818579791.db2.gz	WABLHDJDDIHISU-UHFFFAOYSA-N	-1	1	389.458	4.136	20	5		GIBDMM
Cc1c(=O)[n-]c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nc1-c1ccccc1	ZINC000185053383	822729805	/nfs/dbraw/zinc/72/98/05/822729805.db2.gz	DSGIMYYPJWDZKI-UHFFFAOYSA-N	-1	1	394.412	4.087	20	5		GIBDMM
CCOc1cc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1[O-]	ZINC000186851558	822967909	/nfs/dbraw/zinc/96/79/09/822967909.db2.gz	SFMKJXYAGVAQPM-LLVKDONJSA-N	-1	1	378.812	4.152	20	5		GIBDMM
COc1ccc(-c2nc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)cs2)cc1	ZINC000124943042	823639057	/nfs/dbraw/zinc/63/90/57/823639057.db2.gz	WPXUCEZIHMMVNT-UHFFFAOYSA-N	-1	1	391.355	4.257	20	5		GIBDMM
O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1nc(-c2ccccc2)cs1	ZINC000192524071	824019129	/nfs/dbraw/zinc/01/91/29/824019129.db2.gz	UWYWIFUEWICRHM-UHFFFAOYSA-N	-1	1	397.412	4.132	20	5		GIBDMM