smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000409183505	556634071	/nfs/dbraw/zinc/63/40/71/556634071.db2.gz	UKYYTVCIAPWTLX-LICLKQGHSA-N	-1	0	427.438	3.538	40	5		IHBBRM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1OCC	ZINC000409349101	557077170	/nfs/dbraw/zinc/07/71/70/557077170.db2.gz	UNAXOYCXTGQALV-WAYWQWQTSA-N	-1	0	426.223	3.526	40	5		IHBBRM
Cc1sc2nc(-c3cc(I)c([O-])c([N+](=O)[O-])c3)[nH]c(=O)c2c1C	ZINC000063836854	557492289	/nfs/dbraw/zinc/49/22/89/557492289.db2.gz	UWFIBULYPWRIGR-UHFFFAOYSA-N	-1	0	443.222	3.899	40	5		IHBBRM
O=C([O-])c1ccccc1C(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1	ZINC000000896461	568634606	/nfs/dbraw/zinc/63/46/06/568634606.db2.gz	REMWWIHFEPMNIW-UHFFFAOYSA-N	-1	0	425.441	3.707	40	5		IHBBRM
CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1ccc([O-])c([N+](=O)[O-])c1	ZINC000261362434	568733114	/nfs/dbraw/zinc/73/31/14/568733114.db2.gz	CYTXHIPKRXGCIR-SFHVURJKSA-O	-1	0	426.478	3.615	40	5		IHBBRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000020049599	569332786	/nfs/dbraw/zinc/33/27/86/569332786.db2.gz	OHPOKABKIUUFCC-UHFFFAOYSA-N	-1	0	432.845	3.696	40	5		IHBBRM
Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cccc1C(=O)[O-]	ZINC000020153210	525865252	/nfs/dbraw/zinc/86/52/52/525865252.db2.gz	BVJOFVBCKAHIPU-UHFFFAOYSA-N	-1	0	442.497	3.719	40	5		IHBBRM
O=[N+]([O-])c1ccccc1S[N-]S(=O)(=O)c1nnc(-c2ccccc2Cl)s1	ZINC000016450667	556609496	/nfs/dbraw/zinc/60/94/96/556609496.db2.gz	XGLDRSBWOQHDTC-UHFFFAOYSA-N	-1	0	428.904	3.752	40	5		IHBBRM
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)C2=O)c(C)c1	ZINC000408962352	556901443	/nfs/dbraw/zinc/90/14/43/556901443.db2.gz	HRKMFEHFRWXABT-MFOYZWKCSA-N	-1	0	427.438	3.592	40	5		IHBBRM
COCCCN1C(=O)c2cccc3c(-c4ccc(C(=O)[O-])cc4)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408996771	556912413	/nfs/dbraw/zinc/91/24/13/556912413.db2.gz	DYIMENLDLUFMKZ-UHFFFAOYSA-N	-1	0	434.404	3.746	40	5		IHBBRM
Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409340962	557068671	/nfs/dbraw/zinc/06/86/71/557068671.db2.gz	BOCVGFOUNJWWIF-FRKPEAEDSA-N	-1	0	447.856	3.937	40	5		IHBBRM
Cc1ccc(NC(=O)COc2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2)cc1C	ZINC000409365426	557083929	/nfs/dbraw/zinc/08/39/29/557083929.db2.gz	ZMNHGKZNABETDO-UXBLZVDNSA-N	-1	0	436.424	3.601	40	5		IHBBRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000014186139	557313992	/nfs/dbraw/zinc/31/39/92/557313992.db2.gz	QRMUGENHDULPFJ-UHFFFAOYSA-N	-1	0	441.465	3.965	40	5		IHBBRM
O=C([O-])/C(=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)Sc1nc2ccccc2[nH]1	ZINC000408632662	557422718	/nfs/dbraw/zinc/42/27/18/557422718.db2.gz	GOTZISPSHCJETG-PDGQHHTCSA-N	-1	0	426.454	3.526	40	5		IHBBRM
O=C([O-])CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225030985	569213758	/nfs/dbraw/zinc/21/37/58/569213758.db2.gz	XITVJCCMENBQOI-UHFFFAOYSA-N	-1	0	438.767	3.547	40	5		IHBBRM
O=C([O-])CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000113887936	569297043	/nfs/dbraw/zinc/29/70/43/569297043.db2.gz	IPXCMXINJJFGQP-UHFFFAOYSA-N	-1	0	438.767	3.547	40	5		IHBBRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000009064673	132301718	/nfs/dbraw/zinc/30/17/18/132301718.db2.gz	RDQKXOUVUHMUHS-UHFFFAOYSA-N	-1	0	442.497	3.719	40	5		IHBBRM
Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	ZINC000408606592	555966952	/nfs/dbraw/zinc/96/69/52/555966952.db2.gz	IWAPRCLWLNQCJO-FQEVSTJZSA-N	-1	0	445.903	3.921	40	5		IHBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)[nH]1	ZINC000409325217	556637386	/nfs/dbraw/zinc/63/73/86/556637386.db2.gz	XVTOUGBXDXLNTK-JXMROGBWSA-N	-1	0	433.380	3.878	40	5		IHBBRM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(I)cc1	ZINC000000805418	557218647	/nfs/dbraw/zinc/21/86/47/557218647.db2.gz	QCBSGEHROFGJDQ-UHFFFAOYSA-N	-1	0	438.630	3.654	40	5		IHBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1Cl	ZINC000014269950	557429226	/nfs/dbraw/zinc/42/92/26/557429226.db2.gz	LHZQHDMOOVMASX-UHFFFAOYSA-N	-1	0	448.888	3.673	40	5		IHBBRM
COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc1[N+](=O)[O-]	ZINC000085342891	569170104	/nfs/dbraw/zinc/17/01/04/569170104.db2.gz	YSOGJQHTYGJPSX-UHFFFAOYSA-N	-1	0	444.252	3.735	40	5		IHBBRM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	ZINC000059132893	569459401	/nfs/dbraw/zinc/45/94/01/569459401.db2.gz	ZLOGJAICHOAKRW-UHFFFAOYSA-N	-1	0	447.494	3.505	40	5		IHBBRM
O=C([O-])CC[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000408603186	193972670	/nfs/dbraw/zinc/97/26/70/193972670.db2.gz	BHPMUHCKFGVSIA-IBGZPJMESA-N	-1	0	431.876	3.612	40	5		IHBBRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000020489146	527256430	/nfs/dbraw/zinc/25/64/30/527256430.db2.gz	SHIFTNAPUOZGJS-UHFFFAOYSA-N	-1	0	432.845	3.696	40	5		IHBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)[nH]1	ZINC000409323838	556637264	/nfs/dbraw/zinc/63/72/64/556637264.db2.gz	REOYXRBXLLGNLV-XQRVVYSFSA-N	-1	0	441.312	3.575	40	5		IHBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)[nH]1	ZINC000409311356	557057907	/nfs/dbraw/zinc/05/79/07/557057907.db2.gz	FZVFUYLPUZSYFJ-CLTKARDFSA-N	-1	0	441.312	3.575	40	5		IHBBRM
CCCOc1c(Br)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1OCC	ZINC000409348266	557076164	/nfs/dbraw/zinc/07/61/64/557076164.db2.gz	RUQPXCNAAYQOQP-AATRIKPKSA-N	-1	0	440.250	3.916	40	5		IHBBRM
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C=Cn1c2cc([N+](=O)[O-])ccc2[nH]c1=S	ZINC000104305292	557454040	/nfs/dbraw/zinc/45/40/40/557454040.db2.gz	DLXCBMZCUZJLHU-ONEGZZNKSA-N	-1	0	431.342	3.750	40	5		IHBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1ccc(Oc2ccccc2)cc1	ZINC000225075192	569214281	/nfs/dbraw/zinc/21/42/81/569214281.db2.gz	RAGPZEULJPRFKS-UHFFFAOYSA-N	-1	0	442.449	3.975	40	5		IHBBRM
O=C(Oc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1)c1cccc2ccccc21	ZINC000033388687	569243671	/nfs/dbraw/zinc/24/36/71/569243671.db2.gz	KKGSJPBPUBGITL-JLHYYAGUSA-N	-1	0	429.388	3.927	40	5		IHBBRM
O=C([O-])CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000408603281	193972575	/nfs/dbraw/zinc/97/25/75/193972575.db2.gz	BUERPDTWXSKIMK-IBGZPJMESA-N	-1	0	449.866	3.751	40	5		IHBBRM
COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409051275	556932772	/nfs/dbraw/zinc/93/27/72/556932772.db2.gz	JZYFDSXCRDFHDV-YBEGLDIGSA-N	-1	0	434.401	3.563	40	5		IHBBRM
CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C2=O)c1	ZINC000409155281	556979417	/nfs/dbraw/zinc/97/94/17/556979417.db2.gz	QJIGEBGMSKKSTK-LZYBPNLTSA-N	-1	0	445.478	3.697	40	5		IHBBRM
Cc1ccccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000014224036	557319156	/nfs/dbraw/zinc/31/91/56/557319156.db2.gz	KXWXQGKGCNMWOT-UHFFFAOYSA-N	-1	0	447.494	3.505	40	5		IHBBRM
O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Br)c([O-])c(Br)c1	ZINC000032116472	569460274	/nfs/dbraw/zinc/46/02/74/569460274.db2.gz	OTEKHKSKYALJOU-UHFFFAOYSA-N	-1	0	446.051	3.843	40	5		IHBBRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408914180	556623574	/nfs/dbraw/zinc/62/35/74/556623574.db2.gz	VYMGXGOWSBRVLX-UHFFFAOYSA-N	-1	0	441.465	3.965	40	5		IHBBRM
COc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000409191973	556633942	/nfs/dbraw/zinc/63/39/42/556633942.db2.gz	RLCNWHSBTWMPGI-NVMNQCDNSA-N	-1	0	442.453	3.827	40	5		IHBBRM
O=C1NC(=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])C(=O)N1c1ccc(Cl)cc1	ZINC000409245282	556635686	/nfs/dbraw/zinc/63/56/86/556635686.db2.gz	QHMLMFOCJDTYAX-AWNIVKPZSA-N	-1	0	438.621	3.814	40	5		IHBBRM
Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000408964414	556902198	/nfs/dbraw/zinc/90/21/98/556902198.db2.gz	RKBVCNZLGZRVCE-SXGWCWSVSA-N	-1	0	427.438	3.592	40	5		IHBBRM
O=C(CN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1	ZINC000408964914	556902271	/nfs/dbraw/zinc/90/22/71/556902271.db2.gz	TYGGPUJAIVHKSY-CHHVJCJISA-N	-1	0	433.829	3.629	40	5		IHBBRM
O=C([O-])CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000408608913	557421656	/nfs/dbraw/zinc/42/16/56/557421656.db2.gz	MXNQFJZSTXZFTC-IBGZPJMESA-N	-1	0	449.866	3.751	40	5		IHBBRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(C)c([N+](=O)[O-])c3)C(=O)[O-])n[nH]2)c1	ZINC000408632264	557422642	/nfs/dbraw/zinc/42/26/42/557422642.db2.gz	IFUYPBLVANJLGB-REZTVBANSA-N	-1	0	442.453	3.923	40	5		IHBBRM
O=C([O-])CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113888284	569297074	/nfs/dbraw/zinc/29/70/74/569297074.db2.gz	BDNANQKHLVTGAV-UHFFFAOYSA-N	-1	0	438.767	3.547	40	5		IHBBRM
O=C([O-])c1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1I	ZINC000035268928	526350258	/nfs/dbraw/zinc/35/02/58/526350258.db2.gz	DSUMLIFKBBAOIJ-QPJJXVBHSA-N	-1	0	438.177	3.550	40	5		IHBBRM
COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OCc1c(F)cccc1Cl	ZINC000032689396	556439056	/nfs/dbraw/zinc/43/90/56/556439056.db2.gz	TYUISJRCWHEEKE-ALCCZGGFSA-N	-1	0	447.806	3.934	40	5		IHBBRM
Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000409383997	556639159	/nfs/dbraw/zinc/63/91/59/556639159.db2.gz	ULBMTQAAIADJDR-UHFFFAOYSA-N	-1	0	447.494	3.505	40	5		IHBBRM
O=C([O-])Cn1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21	ZINC000408917058	556888649	/nfs/dbraw/zinc/88/86/49/556888649.db2.gz	LQHBUMHZVMYXHJ-GIJQJNRQSA-N	-1	0	437.433	3.871	40	5		IHBBRM
O=C([O-])CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224745429	569184715	/nfs/dbraw/zinc/18/47/15/569184715.db2.gz	DSESFZJIOGNXHP-UHFFFAOYSA-N	-1	0	428.422	3.667	40	5		IHBBRM
C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000016097101	569225655	/nfs/dbraw/zinc/22/56/55/569225655.db2.gz	HGDZRKODSMPPPW-OAHLLOKOSA-N	-1	0	425.466	3.887	40	5		IHBBRM
O=C1NC(=Cc2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1	ZINC000409098535	556954092	/nfs/dbraw/zinc/95/40/92/556954092.db2.gz	QOCNKNYTIFGVSN-LFYBBSHMSA-N	-1	0	438.621	3.814	40	5		IHBBRM
O=C1Nc2ccccc2S/C1=C\c1cc(I)c([O-])c([N+](=O)[O-])c1	ZINC000409101358	556955766	/nfs/dbraw/zinc/95/57/66/556955766.db2.gz	STVABNBWQQNANW-QPEQYQDCSA-N	-1	0	440.218	3.990	40	5		IHBBRM
Cn1c(Sc2ccc([N+](=O)[O-])cc2C=O)nnc1-c1cc(Br)ccc1[O-]	ZINC000408609009	557421659	/nfs/dbraw/zinc/42/16/59/557421659.db2.gz	YBCXOMHUUQHEPB-UHFFFAOYSA-N	-1	0	435.259	3.822	40	5		IHBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000224771011	569186293	/nfs/dbraw/zinc/18/62/93/569186293.db2.gz	RBXRFWDFWDXMSE-UHFFFAOYSA-N	-1	0	442.449	3.975	40	5		IHBBRM
O=C([O-])CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225006478	569212364	/nfs/dbraw/zinc/21/23/64/569212364.db2.gz	JIILEBRDLOTPEL-UHFFFAOYSA-N	-1	0	438.767	3.547	40	5		IHBBRM
O=C(Oc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl	ZINC000107943576	569251732	/nfs/dbraw/zinc/25/17/32/569251732.db2.gz	SXYVLYJOCSIFHR-FPYGCLRLSA-N	-1	0	448.218	3.668	40	5		IHBBRM
COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1	ZINC000095532101	569374634	/nfs/dbraw/zinc/37/46/34/569374634.db2.gz	UBDICMKHFPKJIR-HXUWFJFHSA-N	-1	0	441.440	3.545	40	5		IHBBRM
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)CC1	ZINC000020153263	521044652	/nfs/dbraw/zinc/04/46/52/521044652.db2.gz	YOUQSQWTSXJIBR-UHFFFAOYSA-N	-1	0	442.497	3.656	40	5		IHBBRM
O=C([O-])CCSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1	ZINC000408750826	556619764	/nfs/dbraw/zinc/61/97/64/556619764.db2.gz	SEBIYOQMGWWDJU-UHFFFAOYSA-N	-1	0	429.435	3.572	40	5		IHBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1Oc1nc(Cl)ncc1F	ZINC000409304935	556636888	/nfs/dbraw/zinc/63/68/88/556636888.db2.gz	UCDOXZVXYXTVSU-HYXAFXHYSA-N	-1	0	449.782	3.740	40	5		IHBBRM
O=C([O-])/C(=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)Sc1nc2ccccc2o1	ZINC000408633670	557422989	/nfs/dbraw/zinc/42/29/89/557422989.db2.gz	LKYIYBZOUPWQCO-PDGQHHTCSA-N	-1	0	427.438	3.790	40	5		IHBBRM
O=C([O-])c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(Cl)cc1Cl	ZINC000020142870	569335989	/nfs/dbraw/zinc/33/59/89/569335989.db2.gz	VZFVPRVBHYVQSH-UHFFFAOYSA-N	-1	0	440.239	3.689	40	5		IHBBRM
Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C1	ZINC000008623933	291374098	/nfs/dbraw/zinc/37/40/98/291374098.db2.gz	FAWOHESLJUKIOK-IAGOWNOFSA-N	-1	0	440.500	3.817	40	5	biogenic,in-vitro	IHBBRM
CC1CCN(c2ccc(C(=O)NC(=S)Nc3cccc(C(=O)[O-])c3)cc2[N+](=O)[O-])CC1	ZINC000020153085	521039280	/nfs/dbraw/zinc/03/92/80/521039280.db2.gz	LPYDIDIDFIWIGE-UHFFFAOYSA-N	-1	0	442.497	3.656	40	5		IHBBRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000022510170	527256628	/nfs/dbraw/zinc/25/66/28/527256628.db2.gz	NNIUFIPPKXUQEJ-UHFFFAOYSA-N	-1	0	432.845	3.696	40	5		IHBBRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000958041	562919807	/nfs/dbraw/zinc/91/98/07/562919807.db2.gz	VBYNCCXUONBJID-UHFFFAOYSA-N	-1	0	432.845	3.696	40	5		IHBBRM
C/C(=C\C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000211518745	568782316	/nfs/dbraw/zinc/78/23/16/568782316.db2.gz	DYCVHPNIVNFPDL-XZHRJIJLSA-N	-1	0	429.454	3.684	40	5		IHBBRM
C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000016097102	569225682	/nfs/dbraw/zinc/22/56/82/569225682.db2.gz	HGDZRKODSMPPPW-HNNXBMFYSA-N	-1	0	425.466	3.887	40	5		IHBBRM
Cc1cc(C(=O)[O-])ccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000020153059	569336390	/nfs/dbraw/zinc/33/63/90/569336390.db2.gz	YQPQVWBDTNCFBY-UHFFFAOYSA-N	-1	0	442.497	3.719	40	5		IHBBRM
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3[O-])C2=O)cc1C	ZINC000408929264	556893696	/nfs/dbraw/zinc/89/36/96/556893696.db2.gz	SWCRGLDFCGDQDA-CXUHLZMHSA-N	-1	0	427.438	3.592	40	5		IHBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]1	ZINC000409316648	557060463	/nfs/dbraw/zinc/06/04/63/557060463.db2.gz	LUQUCBLUXGKSIX-ALCCZGGFSA-N	-1	0	441.312	3.575	40	5		IHBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NCCc1ccccc1	ZINC000014398716	557337262	/nfs/dbraw/zinc/33/72/62/557337262.db2.gz	JHACSAFGVYLZBS-UHFFFAOYSA-N	-1	0	439.493	3.677	40	5		IHBBRM
O=C([O-])CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000408611589	557421899	/nfs/dbraw/zinc/42/18/99/557421899.db2.gz	UCMHMTGRBHKOOL-SFHVURJKSA-N	-1	0	449.866	3.751	40	5		IHBBRM
COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000015437573	568762348	/nfs/dbraw/zinc/76/23/48/568762348.db2.gz	PFMITEGFQSALDR-UHFFFAOYSA-N	-1	0	441.465	3.965	40	5		IHBBRM
O=C([O-])CN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O	ZINC000409135203	556968929	/nfs/dbraw/zinc/96/89/29/556968929.db2.gz	VQCCVHWAMSMWKK-GIJQJNRQSA-N	-1	0	437.433	3.719	40	5		IHBBRM
CC(C)(C)OC(=O)N[C@@](CC(=O)OCc1ccccc1)(C(=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000079670591	569301903	/nfs/dbraw/zinc/30/19/03/569301903.db2.gz	ZNPYDLWCNZVNGU-JOCHJYFZSA-N	-1	0	444.440	3.533	40	5		IHBBRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000020153204	569336229	/nfs/dbraw/zinc/33/62/29/569336229.db2.gz	BTTBPYFMTPLLLN-UHFFFAOYSA-N	-1	0	442.497	3.719	40	5		IHBBRM
Cc1c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cccc1C(=O)[O-]	ZINC000017094382	525867231	/nfs/dbraw/zinc/86/72/31/525867231.db2.gz	ZVQXIEVFCQCTEE-UHFFFAOYSA-N	-1	0	425.422	3.988	40	5		IHBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c1[O-]	ZINC000409050948	556932853	/nfs/dbraw/zinc/93/28/53/556932853.db2.gz	FEHBTIHKADLRKZ-YVLHZVERSA-N	-1	0	448.428	3.954	40	5		IHBBRM
CCOc1cc(C(=O)[O-])cc(I)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408632913	557422974	/nfs/dbraw/zinc/42/29/74/557422974.db2.gz	WJWDERUMYOQCIH-UHFFFAOYSA-N	-1	0	443.193	3.875	40	5		IHBBRM
Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)[N-]c4ccc([N+](=O)[O-])cc4)ccc32)cc1	ZINC000223377678	568820215	/nfs/dbraw/zinc/82/02/15/568820215.db2.gz	NCQVKXBHLMDBEP-UHFFFAOYSA-N	-1	0	437.477	3.907	40	5		IHBBRM
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)CC1	ZINC000020153247	569336198	/nfs/dbraw/zinc/33/61/98/569336198.db2.gz	AQOAYYKQNUZHCJ-UHFFFAOYSA-N	-1	0	442.497	3.656	40	5		IHBBRM
O=C([O-])CNc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000328982788	569584031	/nfs/dbraw/zinc/58/40/31/569584031.db2.gz	HCHGZEPYCZLNQA-UHFFFAOYSA-N	-1	0	449.345	4.191	40	5		IHBBRM
Cc1ccc([C@@H](CCC(=O)[O-])N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	ZINC000408606594	557421314	/nfs/dbraw/zinc/42/13/14/557421314.db2.gz	IWAPRCLWLNQCJO-HXUWFJFHSA-N	-1	0	445.903	3.921	40	5		IHBBRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)[O-])o2)c1	ZINC000408631503	557422805	/nfs/dbraw/zinc/42/28/05/557422805.db2.gz	FGPKDDQEFNCXAK-APSNUPSMSA-N	-1	0	429.410	3.880	40	5		IHBBRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000014269437	557428443	/nfs/dbraw/zinc/42/84/43/557428443.db2.gz	CXYQKIKHXVLPOV-UHFFFAOYSA-N	-1	0	441.421	3.688	40	5		IHBBRM
Cc1c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1C(=O)[O-]	ZINC000017094379	569172838	/nfs/dbraw/zinc/17/28/38/569172838.db2.gz	YGEKVIMQDGMWJY-UHFFFAOYSA-N	-1	0	425.422	3.988	40	5		IHBBRM
COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OCc1ccccc1Cl	ZINC000033629108	569245093	/nfs/dbraw/zinc/24/50/93/569245093.db2.gz	VIQVOYYEKWCWDH-SOFGYWHQSA-N	-1	0	429.816	3.795	40	5		IHBBRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1F)c1ccccc1F	ZINC000008810715	569290780	/nfs/dbraw/zinc/29/07/80/569290780.db2.gz	SARBIXAYNKZTDC-UHFFFAOYSA-N	-1	0	433.392	3.926	40	5		IHBBRM
O=C([N-]N1C(=O)S/C(=C\c2c(O)ccc3ccccc32)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000408762942	556829038	/nfs/dbraw/zinc/82/90/38/556829038.db2.gz	LZGZNRNXOYSGHN-WQRHYEAKSA-N	-1	0	435.417	3.835	40	5		IHBBRM
Cn1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nnc1-c1cc(Br)ccc1[O-]	ZINC000408602686	557420991	/nfs/dbraw/zinc/42/09/91/557420991.db2.gz	DENBBBIUAGEWBA-UHFFFAOYSA-N	-1	0	435.259	3.822	40	5		IHBBRM
O=C([O-])CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000408603859	557421064	/nfs/dbraw/zinc/42/10/64/557421064.db2.gz	BUERPDTWXSKIMK-LJQANCHMSA-N	-1	0	449.866	3.751	40	5		IHBBRM
O=C([O-])CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000408611588	557421986	/nfs/dbraw/zinc/42/19/86/557421986.db2.gz	UCMHMTGRBHKOOL-GOSISDBHSA-N	-1	0	449.866	3.751	40	5		IHBBRM
O=C([O-])c1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1	ZINC000008927105	562966129	/nfs/dbraw/zinc/96/61/29/562966129.db2.gz	JNGBRYGJVZPDFI-ZHZULCJRSA-N	-1	0	431.404	3.703	40	5		IHBBRM
COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000015437501	568762358	/nfs/dbraw/zinc/76/23/58/568762358.db2.gz	OGWKELFICGALPR-UHFFFAOYSA-N	-1	0	427.438	3.657	40	5		IHBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000017095737	569172373	/nfs/dbraw/zinc/17/23/73/569172373.db2.gz	QAUMRQYAQWGXJV-UHFFFAOYSA-N	-1	0	428.382	3.595	40	5		IHBBRM
CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])c([N+](=O)[O-])c1	ZINC000005159031	556642919	/nfs/dbraw/zinc/64/29/19/556642919.db2.gz	HQJDSFSMUIFQCH-UHFFFAOYSA-N	-1	0	443.481	3.784	40	5		IHBBRM
O=C([O-])CC[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000408603047	557421020	/nfs/dbraw/zinc/42/10/20/557421020.db2.gz	AKLHPYLBOJISMW-SFHVURJKSA-N	-1	0	431.876	3.612	40	5		IHBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(OC3CCCC3)cc2)cc1[N+](=O)[O-]	ZINC000224791907	569187099	/nfs/dbraw/zinc/18/70/99/569187099.db2.gz	NCTUSWSQLMMUAY-UHFFFAOYSA-N	-1	0	434.470	3.505	40	5		IHBBRM
O=C([O-])CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000113889787	569297066	/nfs/dbraw/zinc/29/70/66/569297066.db2.gz	RUFAXQFJZRGGRZ-UHFFFAOYSA-N	-1	0	439.660	3.835	40	5		IHBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1Cl	ZINC000020153348	569336210	/nfs/dbraw/zinc/33/62/10/569336210.db2.gz	ILQGEDWEQAHJLA-UHFFFAOYSA-N	-1	0	448.888	3.673	40	5		IHBBRM
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C2=O)c1C	ZINC000409356556	556638141	/nfs/dbraw/zinc/63/81/41/556638141.db2.gz	HVABIHUCOBRKDC-RQZCQDPDSA-N	-1	0	427.438	3.592	40	5		IHBBRM
Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C2=O)c1	ZINC000409359152	557085918	/nfs/dbraw/zinc/08/59/18/557085918.db2.gz	WGKIWAPPCXJXHU-RQZCQDPDSA-N	-1	0	427.438	3.592	40	5		IHBBRM
O=C([O-])CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000408605762	557421359	/nfs/dbraw/zinc/42/13/59/557421359.db2.gz	GQHRWWKFNIYVGC-IBGZPJMESA-N	-1	0	431.876	3.612	40	5		IHBBRM
COc1cc(OC)cc(-c2nc(SC(=Cc3cccc([N+](=O)[O-])c3)C(=O)[O-])n[nH]2)c1	ZINC000408633103	557423087	/nfs/dbraw/zinc/42/30/87/557423087.db2.gz	LNPVSFGXXPAJAZ-APSNUPSMSA-N	-1	0	428.426	3.615	40	5		IHBBRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)[O-])n[nH]2)c1	ZINC000408635092	557423253	/nfs/dbraw/zinc/42/32/53/557423253.db2.gz	YRPNRUWIJZSBOC-APSNUPSMSA-N	-1	0	428.426	3.615	40	5		IHBBRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)[O-])o2)c1	ZINC000408634914	557423284	/nfs/dbraw/zinc/42/32/84/557423284.db2.gz	XXCCIYVXOWEQGD-APSNUPSMSA-N	-1	0	429.410	3.880	40	5		IHBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2-c2ccccc2)cc1[N+](=O)[O-]	ZINC000224787784	569186816	/nfs/dbraw/zinc/18/68/16/569186816.db2.gz	IRJANLAVKTVGIO-UHFFFAOYSA-N	-1	0	426.450	3.850	40	5		IHBBRM
O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000020110967	569334411	/nfs/dbraw/zinc/33/44/11/569334411.db2.gz	HDPCBMANTUQHIK-UHFFFAOYSA-N	-1	0	439.493	3.509	40	5		IHBBRM
COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cccc([N+](=O)[O-])c3)C2)c1	ZINC000095532100	569374693	/nfs/dbraw/zinc/37/46/93/569374693.db2.gz	UBDICMKHFPKJIR-FQEVSTJZSA-N	-1	0	441.440	3.545	40	5		IHBBRM
O=C(CN1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl	ZINC000409235959	556635849	/nfs/dbraw/zinc/63/58/49/556635849.db2.gz	DMNGEYHXIQISTJ-OVCLIPMQSA-N	-1	0	433.829	3.629	40	5		IHBBRM
COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409351975	557079389	/nfs/dbraw/zinc/07/93/89/557079389.db2.gz	XNPRELICGAPEIG-LZYBPNLTSA-N	-1	0	448.840	3.882	40	5		IHBBRM
O=C([O-])c1cc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1	ZINC000261526907	568735246	/nfs/dbraw/zinc/73/52/46/568735246.db2.gz	PJDWGHTZODGPHI-RGVLZGJSSA-N	-1	0	431.404	3.703	40	5		IHBBRM
Cc1ccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccc(C(=O)[O-])cc2)cc1	ZINC000001746334	568897755	/nfs/dbraw/zinc/89/77/55/568897755.db2.gz	QINROFPXXJEAJW-UHFFFAOYSA-N	-1	0	426.450	3.997	40	5		IHBBRM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	ZINC000020153162	569336196	/nfs/dbraw/zinc/33/61/96/569336196.db2.gz	VPKUZQVWKJWAJV-UHFFFAOYSA-N	-1	0	448.888	3.673	40	5		IHBBRM
COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000015437615	556527959	/nfs/dbraw/zinc/52/79/59/556527959.db2.gz	IPMITBYHXKOCJK-UHFFFAOYSA-N	-1	0	441.465	3.965	40	5		IHBBRM
CCOc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])cc(OCC)c3[O-])N(C)C2=S)cc1	ZINC000409034642	556628333	/nfs/dbraw/zinc/62/83/33/556628333.db2.gz	HVFIMEVQWFAWDM-BOPFTXTBSA-N	-1	0	443.481	3.702	40	5		IHBBRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000034298079	556818573	/nfs/dbraw/zinc/81/85/73/556818573.db2.gz	DZWGRMNVRLNNKB-UHFFFAOYSA-N	-1	0	432.845	3.696	40	5		IHBBRM
Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1	ZINC000408609927	557421684	/nfs/dbraw/zinc/42/16/84/557421684.db2.gz	PLAZGOSDUCHHOW-IBGZPJMESA-N	-1	0	445.903	3.921	40	5		IHBBRM
CCn1c(S/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408632765	557423010	/nfs/dbraw/zinc/42/30/10/557423010.db2.gz	KGPOAKXNYBUYKD-GDNBJRDFSA-N	-1	0	446.441	3.701	40	5		IHBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1ccccc1-c1ccccc1	ZINC000225090172	569215595	/nfs/dbraw/zinc/21/55/95/569215595.db2.gz	HLXXTSBQYDPVTN-UHFFFAOYSA-N	-1	0	426.450	3.850	40	5		IHBBRM
O=C([O-])CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000408603043	557421051	/nfs/dbraw/zinc/42/10/51/557421051.db2.gz	AKLHPYLBOJISMW-GOSISDBHSA-N	-1	0	431.876	3.612	40	5		IHBBRM
CCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc1Br	ZINC000014770564	557452234	/nfs/dbraw/zinc/45/22/34/557452234.db2.gz	HMQVGQSIMSXELZ-UHFFFAOYSA-N	-1	0	440.275	3.588	40	5		IHBBRM
CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1ccc([O-])c([N+](=O)[O-])c1	ZINC000261362433	568733177	/nfs/dbraw/zinc/73/31/77/568733177.db2.gz	CYTXHIPKRXGCIR-GOSISDBHSA-O	-1	0	426.478	3.615	40	5		IHBBRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000016347700	568877632	/nfs/dbraw/zinc/87/76/32/568877632.db2.gz	NHETUDAWJAFCAG-UHFFFAOYSA-N	-1	0	425.422	3.988	40	5		IHBBRM
O=C([O-])c1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(Cl)cc1Cl	ZINC000020142673	569335892	/nfs/dbraw/zinc/33/58/92/569335892.db2.gz	UTKRJRRYNLWNPP-UHFFFAOYSA-N	-1	0	440.239	3.689	40	5		IHBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1Cl	ZINC000020153336	569336376	/nfs/dbraw/zinc/33/63/76/569336376.db2.gz	OQKDWLCVSHKETN-UHFFFAOYSA-N	-1	0	448.888	3.673	40	5		IHBBRM
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Br)c([O-])c(Br)c1	ZINC000032116737	569460262	/nfs/dbraw/zinc/46/02/62/569460262.db2.gz	ZEYLMEFMIIBPBM-UHFFFAOYSA-N	-1	0	446.051	3.843	40	5		IHBBRM
O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3[O-])c2)o1	ZINC000408600060	555958566	/nfs/dbraw/zinc/95/85/66/555958566.db2.gz	SMORCAVQBWZZKI-UHFFFAOYSA-N	-1	0	444.783	3.822	40	5		IHBBRM
O=C([O-])CN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O	ZINC000409148762	556631634	/nfs/dbraw/zinc/63/16/34/556631634.db2.gz	RIPINSJRKMFNFV-GIJQJNRQSA-N	-1	0	437.433	3.719	40	5		IHBBRM
COc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409189504	556632399	/nfs/dbraw/zinc/63/23/99/556632399.db2.gz	PUTJLNPONJPKFX-ZDLGFXPLSA-N	-1	0	442.453	3.827	40	5		IHBBRM
Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C2=O)c1	ZINC000409353636	556637835	/nfs/dbraw/zinc/63/78/35/556637835.db2.gz	OSVVTZOYNJAAON-RQZCQDPDSA-N	-1	0	427.438	3.592	40	5		IHBBRM
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1	ZINC000004417295	556822764	/nfs/dbraw/zinc/82/27/64/556822764.db2.gz	ONLXGCZMKLNNRV-UHFFFAOYSA-N	-1	0	442.409	3.556	40	5		IHBBRM
COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)S1	ZINC000408803133	556859677	/nfs/dbraw/zinc/85/96/77/556859677.db2.gz	LNWULHNKLLEEFO-UHFFFAOYSA-N	-1	0	436.853	3.734	40	5		IHBBRM
COc1c(Br)cc(Br)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000409351086	557078775	/nfs/dbraw/zinc/07/87/75/557078775.db2.gz	ZGPPOSJWVXTCCH-IHWYPQMZSA-N	-1	0	447.039	3.500	40	5		IHBBRM
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1Cl	ZINC000409182387	556989959	/nfs/dbraw/zinc/98/99/59/556989959.db2.gz	KXNGTSHSEKJIAM-FRKPEAEDSA-N	-1	0	447.856	3.937	40	5		IHBBRM
O=C([O-])C(=Cc1cc2c(cc1[N+](=O)[O-])OCO2)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408634055	557423076	/nfs/dbraw/zinc/42/30/76/557423076.db2.gz	OGYKXTBWIXDTQA-UUASQNMZSA-N	-1	0	446.828	3.980	40	5		IHBBRM
C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)ccc2N1C(=O)c1ccccc1	ZINC000223268763	568790619	/nfs/dbraw/zinc/79/06/19/568790619.db2.gz	ZTMUVRCKLMIFRV-OAHLLOKOSA-N	-1	0	437.477	3.987	40	5		IHBBRM
COc1cc(NC(=O)c2ccccc2)c(C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000016268160	568875164	/nfs/dbraw/zinc/87/51/64/568875164.db2.gz	DPFVDYWTHCTIQT-UHFFFAOYSA-N	-1	0	441.465	3.965	40	5		IHBBRM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1	ZINC000020153334	569336311	/nfs/dbraw/zinc/33/63/11/569336311.db2.gz	UZHFOEDYEVLNLY-UHFFFAOYSA-N	-1	0	448.888	3.673	40	5		IHBBRM
Cc1cc(C(=O)[O-])ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000020153214	524193206	/nfs/dbraw/zinc/19/32/06/524193206.db2.gz	AHLLJWBKGBXGOH-UHFFFAOYSA-N	-1	0	442.497	3.719	40	5		IHBBRM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000013677457	556710524	/nfs/dbraw/zinc/71/05/24/556710524.db2.gz	CWLIQBSMBNHKTI-UHFFFAOYSA-N	-1	0	433.467	3.718	40	5		IHBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Cl	ZINC000014269952	557429181	/nfs/dbraw/zinc/42/91/81/557429181.db2.gz	HBULSEJFLXMNTM-UHFFFAOYSA-N	-1	0	448.888	3.673	40	5		IHBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1	ZINC000225636283	557754995	/nfs/dbraw/zinc/75/49/95/557754995.db2.gz	KEIPCAICARMSSG-UHFFFAOYSA-N	-1	0	439.515	3.721	40	5		IHBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1ccc(OC2CCCC2)cc1	ZINC000225093926	569215937	/nfs/dbraw/zinc/21/59/37/569215937.db2.gz	YCZQFYQTJDCUQC-UHFFFAOYSA-N	-1	0	434.470	3.505	40	5		IHBBRM
Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000408675579	556615494	/nfs/dbraw/zinc/61/54/94/556615494.db2.gz	JEHAHJQAEXHLEI-UHFFFAOYSA-N	-1	0	441.465	3.722	40	5		IHBBRM
O=C(CN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1	ZINC000408961414	556626764	/nfs/dbraw/zinc/62/67/64/556626764.db2.gz	CBCZEAYUHZAOKX-NVNXTCNLSA-N	-1	0	433.829	3.629	40	5		IHBBRM
O=C(CN1C(=O)S/C(=C/c2cc([O-])ccc2[N+](=O)[O-])C1=O)Nc1ccccc1Cl	ZINC000409220906	557016548	/nfs/dbraw/zinc/01/65/48/557016548.db2.gz	HOBIPSUFKDQMTO-OVCLIPMQSA-N	-1	0	433.829	3.629	40	5		IHBBRM
O=C([O-])CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224752778	569185272	/nfs/dbraw/zinc/18/52/72/569185272.db2.gz	MMXVOROMSOOCJV-UHFFFAOYSA-N	-1	0	438.767	3.547	40	5		IHBBRM
CC1CCN(c2ccc(C(=O)NC(=S)Nc3ccc(C(=O)[O-])cc3)cc2[N+](=O)[O-])CC1	ZINC000020153100	569336214	/nfs/dbraw/zinc/33/62/14/569336214.db2.gz	ZSCJRWHZXROQBQ-UHFFFAOYSA-N	-1	0	442.497	3.656	40	5		IHBBRM
Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C2=O)c(C)c1	ZINC000409372592	556638608	/nfs/dbraw/zinc/63/86/08/556638608.db2.gz	FJXBLVBROHSLFR-RQZCQDPDSA-N	-1	0	441.465	3.901	40	5		IHBBRM
O=C1S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)N1CCCc1ccccc1	ZINC000409138158	556970701	/nfs/dbraw/zinc/97/07/01/556970701.db2.gz	ZFBQOIJSVVZCDH-MHWRWJLKSA-N	-1	0	429.410	3.878	40	5		IHBBRM
O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2[O-])C1=O)Nc1ccccc1Cl	ZINC000409245868	557027597	/nfs/dbraw/zinc/02/75/97/557027597.db2.gz	ACUAKKZLDNRIGQ-RIYZIHGNSA-N	-1	0	433.829	3.629	40	5		IHBBRM
O=C([O-])CC[C@H](c1ccccc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000408605767	557421351	/nfs/dbraw/zinc/42/13/51/557421351.db2.gz	GQHRWWKFNIYVGC-LJQANCHMSA-N	-1	0	431.876	3.612	40	5		IHBBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1	ZINC000104168938	557451228	/nfs/dbraw/zinc/45/12/28/557451228.db2.gz	PYLYZXBDFSKPBD-UHFFFAOYSA-N	-1	0	437.433	3.872	40	5		IHBBRM
COc1cc(NC(=O)c2ccccc2)c(C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000016268163	568875141	/nfs/dbraw/zinc/87/51/41/568875141.db2.gz	ZKHSKMJABIOKKC-UHFFFAOYSA-N	-1	0	441.465	3.965	40	5		IHBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccccc1	ZINC000016096051	569225719	/nfs/dbraw/zinc/22/57/19/569225719.db2.gz	OBYOFGGAAXAVLU-UHFFFAOYSA-N	-1	0	425.466	3.634	40	5		IHBBRM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000059132888	569459386	/nfs/dbraw/zinc/45/93/86/569459386.db2.gz	QIOVDSPFDIEYLM-UHFFFAOYSA-N	-1	0	447.494	3.505	40	5		IHBBRM
CCn1c(SCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)nnc1-c1ccccc1Cl	ZINC000409172978	556633049	/nfs/dbraw/zinc/63/30/49/556633049.db2.gz	GYLRHBIRIMVXOV-UHFFFAOYSA-N	-1	0	433.877	3.963	40	5		IHBBRM
O=C1S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2	ZINC000205656958	556825743	/nfs/dbraw/zinc/82/57/43/556825743.db2.gz	FPBQQRCCJQJXSB-AYSLTRBKSA-N	-1	0	434.813	3.919	40	5		IHBBRM
COCCCN1C(=O)c2cccc3c(-c4cccc(C(=O)[O-])c4)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408997493	556912741	/nfs/dbraw/zinc/91/27/41/556912741.db2.gz	GVBZHORLEGIOIW-UHFFFAOYSA-N	-1	0	434.404	3.746	40	5		IHBBRM
O=C([O-])c1cccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)c1	ZINC000013124355	562984826	/nfs/dbraw/zinc/98/48/26/562984826.db2.gz	RMNQOBXOMFLTGW-MOSHPQCFSA-N	-1	0	431.404	3.703	40	5		IHBBRM
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)c(Cc2ccc(F)cc2)c(=O)[nH]1	ZINC000001443202	568807319	/nfs/dbraw/zinc/80/73/19/568807319.db2.gz	LWDNHQZDOAPJNF-UHFFFAOYSA-N	-1	0	442.472	3.756	40	5		IHBBRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000032119136	569460306	/nfs/dbraw/zinc/46/03/06/569460306.db2.gz	DASWQYAFEPVWML-UHFFFAOYSA-N	-1	0	431.213	3.642	40	5		IHBBRM
COc1cc(-c2nnc(Sc3ccc(C(=O)[O-])cc3[N+](=O)[O-])o2)cc(OC)c1OC	ZINC000016195298	521912227	/nfs/dbraw/zinc/91/22/27/521912227.db2.gz	UVQCFGDYLUFBKK-UHFFFAOYSA-N	-1	0	433.398	3.520	40	5		IHBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000017095738	569172846	/nfs/dbraw/zinc/17/28/46/569172846.db2.gz	XCLBASBELXKDIB-UHFFFAOYSA-N	-1	0	428.382	3.595	40	5		IHBBRM
O=C1NC(=Cc2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	ZINC000009323615	569295374	/nfs/dbraw/zinc/29/53/74/569295374.db2.gz	YFLQOFUIKMJNCL-WUXMJOGZSA-N	-1	0	438.621	3.814	40	5		IHBBRM
Cc1ccc([C@@H](CCC(=O)[O-])N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1	ZINC000408608944	193977049	/nfs/dbraw/zinc/97/70/49/193977049.db2.gz	NDTPWJUDNFRWQM-HXUWFJFHSA-N	-1	0	445.903	3.921	40	5		IHBBRM
Cc1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1C(=O)[O-]	ZINC000009064674	132301755	/nfs/dbraw/zinc/30/17/55/132301755.db2.gz	DEGAGBPNKMRYSE-UHFFFAOYSA-N	-1	0	442.497	3.719	40	5		IHBBRM
O=C([O-])CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000408603189	557421099	/nfs/dbraw/zinc/42/10/99/557421099.db2.gz	BHPMUHCKFGVSIA-LJQANCHMSA-N	-1	0	431.876	3.612	40	5		IHBBRM
Cc1ccc([C@@H](CCC(=O)[O-])N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1	ZINC000408609930	557421629	/nfs/dbraw/zinc/42/16/29/557421629.db2.gz	PLAZGOSDUCHHOW-LJQANCHMSA-N	-1	0	445.903	3.921	40	5		IHBBRM
O=C([O-])CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000408608916	557421674	/nfs/dbraw/zinc/42/16/74/557421674.db2.gz	MXNQFJZSTXZFTC-LJQANCHMSA-N	-1	0	449.866	3.751	40	5		IHBBRM
COc1cc([N+](=O)[O-])cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c1O	ZINC000408632011	557422782	/nfs/dbraw/zinc/42/27/82/557422782.db2.gz	CNFQPQNZLHIHMZ-VGOFMYFVSA-N	-1	0	448.844	3.965	40	5		IHBBRM
Cc1ccccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000014223998	557433495	/nfs/dbraw/zinc/43/34/95/557433495.db2.gz	VEBOZUNURAMKJA-UHFFFAOYSA-N	-1	0	447.494	3.505	40	5		IHBBRM
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C=Cn1c2cc([N+](=O)[O-])ccc2[nH]c1=S	ZINC000104305289	557454114	/nfs/dbraw/zinc/45/41/14/557454114.db2.gz	DLXCBMZCUZJLHU-ARJAWSKDSA-N	-1	0	431.342	3.750	40	5		IHBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(Br)ccc1Cl	ZINC000016385821	568885780	/nfs/dbraw/zinc/88/57/80/568885780.db2.gz	HNDSBIOXICAUSQ-UHFFFAOYSA-N	-1	0	430.667	3.843	40	5		IHBBRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000017094380	569173089	/nfs/dbraw/zinc/17/30/89/569173089.db2.gz	WRAFQEBDPBBLLF-UHFFFAOYSA-N	-1	0	425.422	3.988	40	5		IHBBRM
CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409227522	556635594	/nfs/dbraw/zinc/63/55/94/556635594.db2.gz	ZLCVLXHLIRQFJF-YVLHZVERSA-N	-1	0	428.422	3.618	40	5		IHBBRM
O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O)Nc1ccccc1Cl	ZINC000409254075	556635814	/nfs/dbraw/zinc/63/58/14/556635814.db2.gz	WLBFQDFNGGXSKD-OVCLIPMQSA-N	-1	0	433.829	3.629	40	5		IHBBRM
C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)ccc2N1C(=O)c1ccccc1	ZINC000223268822	568790499	/nfs/dbraw/zinc/79/04/99/568790499.db2.gz	ZTMUVRCKLMIFRV-HNNXBMFYSA-N	-1	0	437.477	3.987	40	5		IHBBRM
COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000015437367	556527551	/nfs/dbraw/zinc/52/75/51/556527551.db2.gz	JUWDBYOGTSORCJ-UHFFFAOYSA-N	-1	0	441.465	3.965	40	5		IHBBRM
CCCOc1c(Br)cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OCC	ZINC000409318294	556636905	/nfs/dbraw/zinc/63/69/05/556636905.db2.gz	VKTHWPSTQUCWRC-AATRIKPKSA-N	-1	0	440.250	3.916	40	5		IHBBRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000022529405	527256515	/nfs/dbraw/zinc/25/65/15/527256515.db2.gz	QAMQZFBTMXBCFZ-UHFFFAOYSA-N	-1	0	432.845	3.696	40	5		IHBBRM
O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000033345800	556562371	/nfs/dbraw/zinc/56/23/71/556562371.db2.gz	FTGMZDILPXDMNQ-WTKPLQERSA-N	-1	0	430.467	3.504	40	5		IHBBRM
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1C	ZINC000408928991	556623290	/nfs/dbraw/zinc/62/32/90/556623290.db2.gz	NRDQNIWZSOPSNW-RQZCQDPDSA-N	-1	0	427.438	3.592	40	5		IHBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1OCC	ZINC000409317586	556636957	/nfs/dbraw/zinc/63/69/57/556636957.db2.gz	QLICSYRRJYTPGB-WAYWQWQTSA-N	-1	0	426.223	3.526	40	5		IHBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[nH]1	ZINC000409317135	557060647	/nfs/dbraw/zinc/06/06/47/557060647.db2.gz	PDERWPKKHLDKQA-DJWKRKHSSA-N	-1	0	449.173	3.897	40	5		IHBBRM
O=c1[nH]c(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc([O-])c1[N+](=O)[O-]	ZINC000409347725	557075850	/nfs/dbraw/zinc/07/58/50/557075850.db2.gz	QZJVWMVMOOGYIU-UTCJRWHESA-N	-1	0	449.173	3.897	40	5		IHBBRM
Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1	ZINC000408608942	557421649	/nfs/dbraw/zinc/42/16/49/557421649.db2.gz	NDTPWJUDNFRWQM-FQEVSTJZSA-N	-1	0	445.903	3.921	40	5		IHBBRM
O=C([O-])CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225022482	569213638	/nfs/dbraw/zinc/21/36/38/569213638.db2.gz	FUIXFXAJTOIOJM-UHFFFAOYSA-N	-1	0	428.422	3.667	40	5		IHBBRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1F)c1ccc(F)cc1	ZINC000008810880	569290784	/nfs/dbraw/zinc/29/07/84/569290784.db2.gz	GHCMDTKMNWIZHQ-UHFFFAOYSA-N	-1	0	433.392	3.926	40	5		IHBBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)o1	ZINC000408960349	556900330	/nfs/dbraw/zinc/90/03/30/556900330.db2.gz	FDTDNTYCWVCFRB-ODLFYWEKSA-N	-1	0	447.403	3.954	40	5		IHBBRM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000059132415	557815048	/nfs/dbraw/zinc/81/50/48/557815048.db2.gz	XQEPLEMZWUMIBU-UHFFFAOYSA-N	-1	0	447.494	3.505	40	5		IHBBRM
O=C([O-])CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000224999982	569210058	/nfs/dbraw/zinc/21/00/58/569210058.db2.gz	WFKWXHJSBYVFRT-UHFFFAOYSA-N	-1	0	428.422	3.667	40	5		IHBBRM
O=C([O-])CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225034108	569213815	/nfs/dbraw/zinc/21/38/15/569213815.db2.gz	JYHACJGXOVOFQX-UHFFFAOYSA-N	-1	0	438.767	3.547	40	5		IHBBRM