smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2O)c1	ZINC000012605533	195051000	/nfs/dbraw/zinc/05/10/00/195051000.db2.gz	DAMRPVXUAASSMH-UHFFFAOYSA-N	-2	3	466.968	4.264	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)c1	ZINC000012605768	195051295	/nfs/dbraw/zinc/05/12/95/195051295.db2.gz	CFOOROZNEKMCRX-LJQANCHMSA-N	-2	3	498.557	4.012	50	0		JIAAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253096	524017109	/nfs/dbraw/zinc/01/71/09/524017109.db2.gz	KJZCPXHHQLGCDE-UHFFFAOYSA-N	-2	3	465.575	4.075	50	0		JIAAHL
Cc1cccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccccc4C)cc3C(=O)[O-])CC2)c1C	ZINC000033253003	524560895	/nfs/dbraw/zinc/56/08/95/524560895.db2.gz	PAZKBDOXUPGHMJ-UHFFFAOYSA-N	-2	3	479.602	4.437	50	0		JIAAHL
Cc1noc(C)c1CCN(C)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1C(=O)[O-]	ZINC000021883433	526489684	/nfs/dbraw/zinc/48/96/84/526489684.db2.gz	XIZRXHVRIQXYLN-UHFFFAOYSA-N	-2	3	477.970	4.431	50	0		JIAAHL
O=C1c2ccc(-c3ccc4c(c3)C(=O)N(c3ccccc3[O-])C4=O)cc2C(=O)N1c1ccccc1[O-]	ZINC000000754767	553777521	/nfs/dbraw/zinc/77/75/21/553777521.db2.gz	NZLUHGDRKIJYQJ-UHFFFAOYSA-N	-2	3	476.444	4.366	50	0		JIAAHL
COc1ccc([C@H](CC(=O)[O-])NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)c2ccccc12	ZINC000008878352	554774082	/nfs/dbraw/zinc/77/40/82/554774082.db2.gz	QQBTVHISLTXTGC-IBGZPJMESA-N	-2	3	493.512	4.009	50	0	biogenic	JIAAHL
CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OC(=O)c1ccc(C)cc1	ZINC000019907733	555536059	/nfs/dbraw/zinc/53/60/59/555536059.db2.gz	CERJAVZPMYEQLQ-UHFFFAOYSA-N	-2	3	462.506	4.267	50	0		JIAAHL
Cc1c([N-]S(=O)(=O)c2ccccc2)cc([N-]S(=O)(=O)c2ccccc2)c(C)c1N1CCCC1=O	ZINC000013894588	555642206	/nfs/dbraw/zinc/64/22/06/555642206.db2.gz	LVGMOXBAFJSIII-UHFFFAOYSA-N	-2	3	499.614	4.032	50	0		JIAAHL
O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000033006922	569615062	/nfs/dbraw/zinc/61/50/62/569615062.db2.gz	BFCXYSCPDYLEBL-UHFFFAOYSA-N	-2	3	471.966	4.166	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4cccc(C)c4C)CC3)cc2C(=O)[O-])cc1	ZINC000033006947	569615072	/nfs/dbraw/zinc/61/50/72/569615072.db2.gz	MAEYHIPOAAJZMY-UHFFFAOYSA-N	-2	3	479.602	4.437	50	0		JIAAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4cccc(C)c4)CC3)cc2C(=O)[O-])cc1	ZINC000033007025	569615180	/nfs/dbraw/zinc/61/51/80/569615180.db2.gz	SOYAAVOUBTUFMC-UHFFFAOYSA-N	-2	3	479.602	4.383	50	0		JIAAHL
COC(=O)C[C@@H](c1ccccc1OC)c1c([O-])c([C@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O	ZINC000263584886	570170720	/nfs/dbraw/zinc/17/07/20/570170720.db2.gz	BUDKKUIGCPGGPJ-XRHLQHRESA-N	-2	3	493.512	4.033	50	0		JIAAHL
O=S(=O)([N-]c1cc([N-]S(=O)(=O)c2ccccc2)cc(C(F)(F)F)c1)c1ccccc1	ZINC000001024207	194004652	/nfs/dbraw/zinc/00/46/52/194004652.db2.gz	VPLRANQOVANWCE-UHFFFAOYSA-N	-2	3	456.467	4.307	50	0		JIAAHL
Cc1ccc2nc(-c3ccc(N4C(=Nc5nc(C)cc(C)n5)[N-]C(=O)C[C@@H]4C(=O)[O-])cc3)sc2c1	ZINC000001114105	194028689	/nfs/dbraw/zinc/02/86/89/194028689.db2.gz	XGTUPMDABPQUNI-LJQANCHMSA-N	-2	3	486.557	4.337	50	0		JIAAHL
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)c1	ZINC000001148248	194049143	/nfs/dbraw/zinc/04/91/43/194049143.db2.gz	VOSSFWBKYWYIIA-UHFFFAOYSA-N	-2	3	490.603	4.231	50	0		JIAAHL
O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3ccccc3[O-])C4=O)cc2C(=O)N1c1ccccc1[O-]	ZINC000001233572	194077542	/nfs/dbraw/zinc/07/75/42/194077542.db2.gz	SZORRHGDLFDXQY-UHFFFAOYSA-N	-2	3	492.443	4.491	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3cccc(Cl)c3)c2)cc1	ZINC000012605506	195050901	/nfs/dbraw/zinc/05/09/01/195050901.db2.gz	PJQHJPUEUXOEOF-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
O=S(=O)([N-]c1ccccc1)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	ZINC000012630501	195062679	/nfs/dbraw/zinc/06/26/79/195062679.db2.gz	OFGJYRPGZVBUGU-UHFFFAOYSA-N	-2	3	456.467	4.307	50	0		JIAAHL
O=c1[n-]c(=S)n(CCc2ccccc2)c([O-])c1[C@@H]1NCCc2c3cc(Cl)ccc3[nH]c21	ZINC000020621934	195190442	/nfs/dbraw/zinc/19/04/42/195190442.db2.gz	HKGVLEJVDUCPMI-FQEVSTJZSA-N	-2	3	452.967	4.224	50	0		JIAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NC4CCC(C)CC4)c(=O)c3c2)cc1	ZINC000006181513	521134305	/nfs/dbraw/zinc/13/43/05/521134305.db2.gz	FOSXEBKCJNSUNN-UHFFFAOYSA-N	-2	3	483.590	4.036	50	0		JIAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NC4CCC(C)CC4)c([O-])c3c2)cc1	ZINC000006181513	521134316	/nfs/dbraw/zinc/13/43/16/521134316.db2.gz	FOSXEBKCJNSUNN-UHFFFAOYSA-N	-2	3	483.590	4.036	50	0		JIAAHL
Cc1cccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3C(=O)[O-])C[C@@H]2C)c1	ZINC000033253533	524559733	/nfs/dbraw/zinc/55/97/33/524559733.db2.gz	CBBJCDAOEQDXHW-SFHVURJKSA-N	-2	3	483.565	4.348	50	0		JIAAHL
CCCCN(CCCC)C(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2c1=O	ZINC000008813199	554695390	/nfs/dbraw/zinc/69/53/90/554695390.db2.gz	WPYHJJAPIRPNBE-UHFFFAOYSA-N	-2	3	485.606	4.380	50	0		JIAAHL
CCCCN(CCCC)C(=O)c1cnc2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2c1[O-]	ZINC000008813199	554695391	/nfs/dbraw/zinc/69/53/91/554695391.db2.gz	WPYHJJAPIRPNBE-UHFFFAOYSA-N	-2	3	485.606	4.380	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1S(=O)(=O)[N-]c1ccccc1Cl	ZINC000009128515	554925431	/nfs/dbraw/zinc/92/54/31/554925431.db2.gz	HFVMBWSLCRXUHM-UHFFFAOYSA-N	-2	3	488.921	4.228	50	0		JIAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000009509190	555296502	/nfs/dbraw/zinc/29/65/02/555296502.db2.gz	NTVRGWRNVJGJCP-UHFFFAOYSA-N	-2	3	456.467	4.014	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1	ZINC000009511926	555301097	/nfs/dbraw/zinc/30/10/97/555301097.db2.gz	XAMDZFAYRPXNTH-UHFFFAOYSA-N	-2	3	460.577	4.222	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCc5ccccc54)c(=O)c3c2)cc1	ZINC000009680097	555407196	/nfs/dbraw/zinc/40/71/96/555407196.db2.gz	LZYCOUCMJRTDAJ-UHFFFAOYSA-N	-2	3	473.554	4.094	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N4CCc5ccccc54)c([O-])c3c2)cc1	ZINC000009680097	555407199	/nfs/dbraw/zinc/40/71/99/555407199.db2.gz	LZYCOUCMJRTDAJ-UHFFFAOYSA-N	-2	3	473.554	4.094	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N(C)Cc4ccccc4)c(=O)c3c2)cc1	ZINC000009680093	555407308	/nfs/dbraw/zinc/40/73/08/555407308.db2.gz	AGYCHEGOOAFARN-UHFFFAOYSA-N	-2	3	475.570	4.164	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N(C)Cc4ccccc4)c([O-])c3c2)cc1	ZINC000009680093	555407313	/nfs/dbraw/zinc/40/73/13/555407313.db2.gz	AGYCHEGOOAFARN-UHFFFAOYSA-N	-2	3	475.570	4.164	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(CSC)c2)c1	ZINC000022196846	555884053	/nfs/dbraw/zinc/88/40/53/555884053.db2.gz	PCPWWDCIIYDRDU-UHFFFAOYSA-N	-2	3	458.561	4.317	50	0		JIAAHL
CCOC(=O)Nc1cccc(C(=O)Nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2[O-])c1	ZINC000022196886	555884118	/nfs/dbraw/zinc/88/41/18/555884118.db2.gz	RNXCKXIYBGWNFX-UHFFFAOYSA-N	-2	3	485.518	4.022	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c1	ZINC000028846924	556342878	/nfs/dbraw/zinc/34/28/78/556342878.db2.gz	VCUXGCCWFIMQEC-OAHLLOKOSA-N	-2	3	488.949	4.045	50	0		JIAAHL
Cc1noc(C)c1CCN(C)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1C(=O)[O-]	ZINC000032971074	569603723	/nfs/dbraw/zinc/60/37/23/569603723.db2.gz	FAFXTYFEUHYUID-UHFFFAOYSA-N	-2	3	457.552	4.086	50	0		JIAAHL
COC(=O)C[C@@H]1c2c(nc3sccn32)Oc2cc([O-])c3c(=O)cc(-c4ccc([O-])cc4)oc3c21	ZINC000096222654	569739674	/nfs/dbraw/zinc/73/96/74/569739674.db2.gz	BTZMUWYGLNDBTR-ZDUSSCGKSA-N	-2	3	476.466	4.381	50	0	biogenic	JIAAHL
Cc1noc(C)c1CCN(C)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-]	ZINC000021533867	195310571	/nfs/dbraw/zinc/31/05/71/195310571.db2.gz	AUKUFAKPUAZBMW-UHFFFAOYSA-N	-2	3	471.579	4.395	50	0		JIAAHL
CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2C(=O)[O-])C1	ZINC000033253401	521302660	/nfs/dbraw/zinc/30/26/60/521302660.db2.gz	YHJPUGZPCSLYNS-IBGZPJMESA-N	-2	3	488.606	4.164	50	0		JIAAHL
CCCN(CCC)C(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2c1=O	ZINC000008595185	521641126	/nfs/dbraw/zinc/64/11/26/521641126.db2.gz	AIRHVBZJUMKKCG-UHFFFAOYSA-N	-2	3	455.580	4.208	50	0		JIAAHL
CCCN(CCC)C(=O)c1cnc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2c1[O-]	ZINC000008595185	521641130	/nfs/dbraw/zinc/64/11/30/521641130.db2.gz	AIRHVBZJUMKKCG-UHFFFAOYSA-N	-2	3	455.580	4.208	50	0		JIAAHL
CCCn1nc(C)cc1CN(C)c1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1C(=O)[O-]	ZINC000033253818	521669621	/nfs/dbraw/zinc/66/96/21/521669621.db2.gz	UECPDNSMJIPCPB-UHFFFAOYSA-N	-2	3	456.568	4.045	50	0		JIAAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4ccccc4F)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253239	524016353	/nfs/dbraw/zinc/01/63/53/524016353.db2.gz	ANSIIQMJZRLJQG-UHFFFAOYSA-N	-2	3	497.592	4.209	50	0		JIAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)cc2)cc1	ZINC000000628644	553716148	/nfs/dbraw/zinc/71/61/48/553716148.db2.gz	AXVFGQJMJVSKTR-UHFFFAOYSA-N	-2	3	476.576	4.086	50	0		JIAAHL
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1	ZINC000002873629	554396944	/nfs/dbraw/zinc/39/69/44/554396944.db2.gz	SNTPFXVUDYYLNU-UHFFFAOYSA-N	-2	3	478.617	4.327	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1Cl	ZINC000002881267	554403149	/nfs/dbraw/zinc/40/31/49/554403149.db2.gz	ZIWHDTJWEBWCGA-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1Cl	ZINC000002890471	554409126	/nfs/dbraw/zinc/40/91/26/554409126.db2.gz	BQJXLDBTEDHXAL-UHFFFAOYSA-N	-2	3	470.931	4.089	50	0		JIAAHL
Cc1cccc([N-]S(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)c2)c1	ZINC000009468073	555246671	/nfs/dbraw/zinc/24/66/71/555246671.db2.gz	ZFWJPVJXLBNFFF-UHFFFAOYSA-N	-2	3	499.614	4.032	50	0		JIAAHL
O=C(Cc1ccccc1)[N-]C([N-]c1ccc(Br)cn1)(C(F)(F)F)C(F)(F)F	ZINC000019944203	555562304	/nfs/dbraw/zinc/56/23/04/555562304.db2.gz	JMKHUEOLLPPMAZ-UHFFFAOYSA-N	-2	3	456.184	4.436	50	0		JIAAHL
COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OC(=O)c1cccc(Cl)c1	ZINC000020033467	555608680	/nfs/dbraw/zinc/60/86/80/555608680.db2.gz	FBDAXCHEMRDGIK-UHFFFAOYSA-N	-2	3	468.897	4.222	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)Cc2c(F)cccc2Cl)c1	ZINC000024980006	556167940	/nfs/dbraw/zinc/16/79/40/556167940.db2.gz	KYZHWMOAADBXIY-UHFFFAOYSA-N	-2	3	464.902	4.175	50	0		JIAAHL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2)n1	ZINC000013042071	556248377	/nfs/dbraw/zinc/24/83/77/556248377.db2.gz	DKIAVCPJDMGJRE-UHFFFAOYSA-N	-2	3	488.635	4.237	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4F)CC3)c(C(=O)[O-])c2)c(C)c1	ZINC000032961658	556578694	/nfs/dbraw/zinc/57/86/94/556578694.db2.gz	AKKPEGRZTIKBJY-UHFFFAOYSA-N	-2	3	483.565	4.268	50	0		JIAAHL
O=S(=O)([N-]c1ccccc1)c1cc2ccc(O)cc2c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000001226983	562919864	/nfs/dbraw/zinc/91/98/64/562919864.db2.gz	AZWLEOHSTMDFSZ-UHFFFAOYSA-N	-2	3	454.529	4.147	50	0		JIAAHL
Cc1cccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)c1	ZINC000089677902	569719534	/nfs/dbraw/zinc/71/95/34/569719534.db2.gz	LMIMRSUVAQIXKT-UHFFFAOYSA-N	-2	3	481.393	4.359	50	0		JIAAHL
CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@H](c3ccc(Br)cc3)C2)c(=O)[n-]c1=S	ZINC000101495579	569800733	/nfs/dbraw/zinc/80/07/33/569800733.db2.gz	ALUQWPCYKJMEKW-HNNXBMFYSA-N	-2	3	479.400	4.262	50	0		JIAAHL
COC(=O)C[C@@H](c1ccc(OC)cc1)c1c([O-])c([C@@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O	ZINC000253409996	570097519	/nfs/dbraw/zinc/09/75/19/570097519.db2.gz	MSKHVEPKWGDZGJ-PPHZAIPVSA-N	-2	3	493.512	4.033	50	0		JIAAHL
COC(=O)C[C@H](c1ccccc1OC)c1c([O-])c([C@@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O	ZINC000263584883	570170702	/nfs/dbraw/zinc/17/07/02/570170702.db2.gz	BUDKKUIGCPGGPJ-CLYVBNDRSA-N	-2	3	493.512	4.033	50	0		JIAAHL
COC(=O)C[C@H](c1ccccc1F)c1c([O-])c([C@@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O	ZINC000263587871	570172281	/nfs/dbraw/zinc/17/22/81/570172281.db2.gz	MCVKXNSBPPMUAG-QUGAMOGWSA-N	-2	3	481.476	4.163	50	0		JIAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)cc2)cc1	ZINC000001064709	194013521	/nfs/dbraw/zinc/01/35/21/194013521.db2.gz	LSGDNVOWNAIKGU-UHFFFAOYSA-N	-2	3	496.994	4.349	50	0		JIAAHL
Cc1ccc2nc(-c3ccc(N4C(=Nc5nc(C)cc(C)n5)[N-]C(=O)C[C@H]4C(=O)[O-])cc3)sc2c1	ZINC000001114107	194028594	/nfs/dbraw/zinc/02/85/94/194028594.db2.gz	XGTUPMDABPQUNI-IBGZPJMESA-N	-2	3	486.557	4.337	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1OC	ZINC000001147274	194048635	/nfs/dbraw/zinc/04/86/35/194048635.db2.gz	OEDSBMBXDYHWGO-UHFFFAOYSA-N	-2	3	496.994	4.267	50	0		JIAAHL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1	ZINC000001149030	194049686	/nfs/dbraw/zinc/04/96/86/194049686.db2.gz	PMJMPNINHMPMCI-UHFFFAOYSA-N	-2	3	493.994	4.208	50	0		JIAAHL
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(Br)c([O-])c(Br)c2)N1	ZINC000001814605	194145462	/nfs/dbraw/zinc/14/54/62/194145462.db2.gz	BQZNNKBCIMLNHM-LSDHHAIUSA-N	-2	3	466.129	4.087	50	0	biogenic	JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)c1	ZINC000012605767	195051473	/nfs/dbraw/zinc/05/14/73/195051473.db2.gz	CFOOROZNEKMCRX-IBGZPJMESA-N	-2	3	498.557	4.012	50	0		JIAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(=O)c2c1	ZINC000020726870	195208059	/nfs/dbraw/zinc/20/80/59/195208059.db2.gz	XWMSIJUDDRVRAM-ZDPZECHZSA-N	-2	3	467.591	4.192	50	0		JIAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c([O-])c2c1	ZINC000020726870	195208061	/nfs/dbraw/zinc/20/80/61/195208061.db2.gz	XWMSIJUDDRVRAM-ZDPZECHZSA-N	-2	3	467.591	4.192	50	0		JIAAHL
CCOC(=O)C1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)[O-])CC1	ZINC000033253524	520584748	/nfs/dbraw/zinc/58/47/48/520584748.db2.gz	LRJGQNGXWGVDKV-UHFFFAOYSA-N	-2	3	488.606	4.263	50	0		JIAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N[C@H](C)c4ccccc4)c(=O)c3c2)cc1	ZINC000006181520	521133992	/nfs/dbraw/zinc/13/39/92/521133992.db2.gz	LQXSMLPWOZJQCY-QGZVFWFLSA-N	-2	3	491.569	4.219	50	0		JIAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N[C@H](C)c4ccccc4)c([O-])c3c2)cc1	ZINC000006181520	521134000	/nfs/dbraw/zinc/13/40/00/521134000.db2.gz	LQXSMLPWOZJQCY-QGZVFWFLSA-N	-2	3	491.569	4.219	50	0		JIAAHL
CCCn1nc(C)cc1CN(C)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)[O-]	ZINC000033253812	521669679	/nfs/dbraw/zinc/66/96/79/521669679.db2.gz	JFUUBGJLNUBFGY-UHFFFAOYSA-N	-2	3	486.594	4.136	50	0		JIAAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253053	524016502	/nfs/dbraw/zinc/01/65/02/524016502.db2.gz	WQQAUTDCBXXVAD-UHFFFAOYSA-N	-2	3	483.565	4.214	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4cccc(F)c4)CC3)c(C(=O)[O-])c2)c(C)c1	ZINC000033253224	525607179	/nfs/dbraw/zinc/60/71/79/525607179.db2.gz	RNUBEJZAOLOUDG-UHFFFAOYSA-N	-2	3	497.592	4.264	50	0		JIAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2)ccc1N1CCN(c2cccc(Cl)c2)CC1	ZINC000033252882	526353604	/nfs/dbraw/zinc/35/36/04/526353604.db2.gz	MJFOCFUCYLNSDM-UHFFFAOYSA-N	-2	3	471.966	4.166	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)c3c2)cc1	ZINC000009680059	555407141	/nfs/dbraw/zinc/40/71/41/555407141.db2.gz	UBOVNIRIPNOHAU-KRWDZBQOSA-N	-2	3	475.570	4.382	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N[C@@H](C)c4ccccc4)c([O-])c3c2)cc1	ZINC000009680059	555407143	/nfs/dbraw/zinc/40/71/43/555407143.db2.gz	UBOVNIRIPNOHAU-KRWDZBQOSA-N	-2	3	475.570	4.382	50	0		JIAAHL
CC(C)c1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)cc1	ZINC000006181431	562937084	/nfs/dbraw/zinc/93/70/84/562937084.db2.gz	RYBSVIWRRWIZPC-UHFFFAOYSA-N	-2	3	489.597	4.425	50	0		JIAAHL
CC(C)c1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCCc4ccccc4)c([O-])c3c2)cc1	ZINC000006181431	562937085	/nfs/dbraw/zinc/93/70/85/562937085.db2.gz	RYBSVIWRRWIZPC-UHFFFAOYSA-N	-2	3	489.597	4.425	50	0		JIAAHL
CCOc1ccccc1N1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C(=O)[O-])c2)CC1	ZINC000033006959	569615000	/nfs/dbraw/zinc/61/50/00/569615000.db2.gz	VVJXGYAZDWAKBE-UHFFFAOYSA-N	-2	3	495.601	4.219	50	0		JIAAHL
O=C([O-])COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21	ZINC000096115839	569734921	/nfs/dbraw/zinc/73/49/21/569734921.db2.gz	PHJYUYUNZSBNCV-INIZCTEOSA-N	-2	3	458.422	4.070	50	0	biogenic	JIAAHL
CC(C)C[C@H](CC(=O)N1CCN(C)CC1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096221732	569739021	/nfs/dbraw/zinc/73/90/21/569739021.db2.gz	KCOOGHRUEULHHX-LJQANCHMSA-N	-2	3	464.562	4.165	50	0	biogenic	JIAAHL
CC(C)C[C@@H](CC(=O)N1CCN(C)CC1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096221731	569739154	/nfs/dbraw/zinc/73/91/54/569739154.db2.gz	KCOOGHRUEULHHX-IBGZPJMESA-N	-2	3	464.562	4.165	50	0	biogenic	JIAAHL
COC(=O)C[C@H](c1ccccc1)c1c([O-])c([C@@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O	ZINC000263585183	570170979	/nfs/dbraw/zinc/17/09/79/570170979.db2.gz	GAUWFPKJEUJOAU-DWXRJYCRSA-N	-2	3	463.486	4.024	50	0		JIAAHL
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(C3CCCCC3)CC2)cc1	ZINC000058009444	195362149	/nfs/dbraw/zinc/36/21/49/195362149.db2.gz	QEYYUUSOMYKNPN-UHFFFAOYSA-N	-2	3	471.623	4.203	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(C3CCCCC3)CC2)c(C)c1	ZINC000058009438	195362226	/nfs/dbraw/zinc/36/22/26/195362226.db2.gz	NZVVHCXNNGUYFD-UHFFFAOYSA-N	-2	3	471.623	4.257	50	0		JIAAHL
CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cc(C)c(C)cc4C)ccc3n2)CC1	ZINC000033256388	519859945	/nfs/dbraw/zinc/85/99/45/519859945.db2.gz	KAIIZVPXIWQTMV-UHFFFAOYSA-N	-2	3	496.633	4.191	50	0		JIAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N(C)C4CCCCC4)c(=O)c3c2)cc1	ZINC000006181508	521132288	/nfs/dbraw/zinc/13/22/88/521132288.db2.gz	WBPQRNUOKQCZME-UHFFFAOYSA-N	-2	3	483.590	4.132	50	0		JIAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N(C)C4CCCCC4)c([O-])c3c2)cc1	ZINC000006181508	521132298	/nfs/dbraw/zinc/13/22/98/521132298.db2.gz	WBPQRNUOKQCZME-UHFFFAOYSA-N	-2	3	483.590	4.132	50	0		JIAAHL
CCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(CC(C)C)cc4)ccc3n2)CC1	ZINC000033256371	521696588	/nfs/dbraw/zinc/69/65/88/521696588.db2.gz	KENUYZGKGQGGRW-UHFFFAOYSA-N	-2	3	496.633	4.074	50	0		JIAAHL
CCn1nc(C)c(CCN(C)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2C(=O)[O-])c1C	ZINC000033253786	523632753	/nfs/dbraw/zinc/63/27/53/523632753.db2.gz	XQHIJGFXMLKQOD-UHFFFAOYSA-N	-2	3	484.622	4.315	50	0		JIAAHL
Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)c1	ZINC000033253063	524457367	/nfs/dbraw/zinc/45/73/67/524457367.db2.gz	ZFLZTBHNJDNOQM-UHFFFAOYSA-N	-2	3	483.565	4.268	50	0		JIAAHL
Cc1cccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccccc4)cc3C(=O)[O-])CC2)c1C	ZINC000033252998	524560059	/nfs/dbraw/zinc/56/00/59/524560059.db2.gz	FDZSJDJZOMXMCX-UHFFFAOYSA-N	-2	3	465.575	4.129	50	0		JIAAHL
CSc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCCCCC4)c(=O)c3c2)c1	ZINC000008595191	526137906	/nfs/dbraw/zinc/13/79/06/526137906.db2.gz	SVAPRBXSBSTFLD-UHFFFAOYSA-N	-2	3	471.604	4.067	50	0		JIAAHL
CSc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N4CCCCCC4)c([O-])c3c2)c1	ZINC000008595191	526137917	/nfs/dbraw/zinc/13/79/17/526137917.db2.gz	SVAPRBXSBSTFLD-UHFFFAOYSA-N	-2	3	471.604	4.067	50	0		JIAAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(Br)c(C)c(Br)c1	ZINC000019684127	526527643	/nfs/dbraw/zinc/52/76/43/526527643.db2.gz	KWVMCRNOEMNVRA-UHFFFAOYSA-N	-2	3	456.138	4.174	50	0		JIAAHL
O=C([O-])c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2c(F)cccc2Cl)cc1	ZINC000009292343	555067581	/nfs/dbraw/zinc/06/75/81/555067581.db2.gz	MXXPUJAGPGEIGE-QHAWAJNXSA-N	-2	3	466.852	4.228	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1	ZINC000009715815	555448522	/nfs/dbraw/zinc/44/85/22/555448522.db2.gz	CTXQSWOJQMTQRY-UHFFFAOYSA-N	-2	3	460.577	4.420	50	0		JIAAHL
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)[O-])ccc2C)cc1	ZINC000027531232	556291692	/nfs/dbraw/zinc/29/16/92/556291692.db2.gz	OFURSTDXWCTOPM-UHFFFAOYSA-N	-2	3	454.504	4.145	50	0		JIAAHL
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(Cc3cccc(F)c3)CC2)cc1	ZINC000032962001	569602724	/nfs/dbraw/zinc/60/27/24/569602724.db2.gz	PHVVTFTXSAQWPB-UHFFFAOYSA-N	-2	3	497.592	4.209	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(Cc3ccccc3F)CC2)c(C)c1	ZINC000032962013	569602736	/nfs/dbraw/zinc/60/27/36/569602736.db2.gz	PPFSZNMFNLZNTE-UHFFFAOYSA-N	-2	3	497.592	4.264	50	0		JIAAHL
Cc1cccc(N2CCN(c3ccc([N-]S(=O)(=O)c4cc(C)ccc4C)c(C(=O)[O-])c3)CC2)c1	ZINC000033006977	569614996	/nfs/dbraw/zinc/61/49/96/569614996.db2.gz	OXKZJIHANYAEDQ-UHFFFAOYSA-N	-2	3	479.602	4.437	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4cccc(C)c4)CC3)cc2C(=O)[O-])cc1	ZINC000033006957	569615078	/nfs/dbraw/zinc/61/50/78/569615078.db2.gz	HZBNHYBOEYNYBU-UHFFFAOYSA-N	-2	3	465.575	4.129	50	0		JIAAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])c(C)c1	ZINC000033007112	569615153	/nfs/dbraw/zinc/61/51/53/569615153.db2.gz	RSJQPQCTAMOYRF-UHFFFAOYSA-N	-2	3	479.602	4.437	50	0		JIAAHL
Cc1cccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccc(C)c(C)c4)c(C(=O)[O-])c3)CC2)c1	ZINC000033007003	569615188	/nfs/dbraw/zinc/61/51/88/569615188.db2.gz	KOYNLPRQUGIKCI-UHFFFAOYSA-N	-2	3	479.602	4.437	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1	ZINC000089651301	569719445	/nfs/dbraw/zinc/71/94/45/569719445.db2.gz	APIDEYVKXFPEIO-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096114425	569733524	/nfs/dbraw/zinc/73/35/24/569733524.db2.gz	UQYLTSRPBBJRMY-MRXNPFEDSA-N	-2	3	460.438	4.295	50	0	biogenic	JIAAHL
Cn1nccc1[C@@H](CC(=O)N1CCCCC1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000253399604	570096382	/nfs/dbraw/zinc/09/63/82/570096382.db2.gz	DCYYTTSXDMDJKG-GOSISDBHSA-N	-2	3	473.529	4.139	50	0		JIAAHL
COC(=O)C[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000253623809	570105349	/nfs/dbraw/zinc/10/53/49/570105349.db2.gz	MWHUCTSXWJRCNZ-QGZVFWFLSA-N	-2	3	487.464	4.006	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3cc(C)sc3C)c2)cc1	ZINC000012630567	195062572	/nfs/dbraw/zinc/06/25/72/195062572.db2.gz	FYVIXNNCFOAMFF-UHFFFAOYSA-N	-2	3	466.606	4.284	50	0		JIAAHL
CCCSc1nc([O-])c(C(c2ccc(Cl)cc2)C2C(=O)N=C(SCCC)NC2=O)c(=O)[n-]1	ZINC000016225353	520568603	/nfs/dbraw/zinc/56/86/03/520568603.db2.gz	JAEQQRRLFHNHDV-UHFFFAOYSA-N	-2	3	495.026	4.102	50	0		JIAAHL
CCCSc1nc([O-])c(C(c2ccc(Cl)cc2)C2C(=O)N=C(SCCC)[N-]C2=O)c(=O)[n-]1	ZINC000016225353	520568615	/nfs/dbraw/zinc/56/86/15/520568615.db2.gz	JAEQQRRLFHNHDV-UHFFFAOYSA-N	-3	3	495.026	4.102	50	0		JIAAHL
CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2C(=O)[O-])CC1	ZINC000033253430	521043677	/nfs/dbraw/zinc/04/36/77/521043677.db2.gz	CUCDCOMXCFXPAQ-UHFFFAOYSA-N	-2	3	453.358	4.184	50	0		JIAAHL
CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2C(=O)[O-])C1	ZINC000033253395	521303005	/nfs/dbraw/zinc/30/30/05/521303005.db2.gz	XOISCXIPLZGJBU-SFHVURJKSA-N	-2	3	474.579	4.089	50	0		JIAAHL
CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)[O-])C1	ZINC000033253419	521303290	/nfs/dbraw/zinc/30/32/90/521303290.db2.gz	AVPSDCGWDYZQSA-KRWDZBQOSA-N	-2	3	488.606	4.263	50	0		JIAAHL
CCn1nc(C)c(CCN(C)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2C(=O)[O-])c1C	ZINC000033253787	523633242	/nfs/dbraw/zinc/63/32/42/523633242.db2.gz	AMKGIJPPPFAXSH-UHFFFAOYSA-N	-2	3	484.622	4.315	50	0		JIAAHL
Cc1ccc(C)c(N2CCN(c3ccc([N-]S(=O)(=O)c4ccccc4)cc3C(=O)[O-])CC2)c1	ZINC000033253008	524127888	/nfs/dbraw/zinc/12/78/88/524127888.db2.gz	BNFYGSZRTSQVHY-UHFFFAOYSA-N	-2	3	465.575	4.129	50	0		JIAAHL
Cc1cccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3C(=O)[O-])CC2)c1C	ZINC000033252996	524560586	/nfs/dbraw/zinc/56/05/86/524560586.db2.gz	GIIKUNGSQGNJJE-UHFFFAOYSA-N	-2	3	483.565	4.268	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(-c3n[n-]c(=S)n3Cc3ccccc3)cc2)cc1	ZINC000012508151	524688335	/nfs/dbraw/zinc/68/83/35/524688335.db2.gz	QSRDKVCCGYADLV-UHFFFAOYSA-N	-2	3	452.561	4.465	50	0		JIAAHL
Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(c3cccc(Cl)c3)CC2)c(C(=O)[O-])c1	ZINC000033252887	525333494	/nfs/dbraw/zinc/33/34/94/525333494.db2.gz	VUUSRYPPXXGJDS-UHFFFAOYSA-N	-2	3	485.993	4.474	50	0		JIAAHL
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(N2CCN(c3ccccc3)CC2)c(C(=O)[O-])c1	ZINC000033253106	525784963	/nfs/dbraw/zinc/78/49/63/525784963.db2.gz	ZTUPNTZDEMWBQN-UHFFFAOYSA-N	-2	3	485.993	4.474	50	0		JIAAHL
O=S(=O)([N-]c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1	ZINC000012507967	527253002	/nfs/dbraw/zinc/25/30/02/527253002.db2.gz	ACCVQPQVLSMNSY-UHFFFAOYSA-N	-2	3	472.466	4.187	50	0		JIAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)cc3)cc2)cc1	ZINC000002875318	554398101	/nfs/dbraw/zinc/39/81/01/554398101.db2.gz	XTTQSXYATLSOHS-UHFFFAOYSA-N	-2	3	478.617	4.409	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)cc1	ZINC000009491601	555269631	/nfs/dbraw/zinc/26/96/31/555269631.db2.gz	UYODTIMRBAZLHI-UHFFFAOYSA-N	-2	3	498.582	4.459	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000009612512	555445792	/nfs/dbraw/zinc/44/57/92/555445792.db2.gz	KJOZNNUHZRZROV-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
CCCc1cc(=O)[n-]c(SCc2nc(=O)c3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3[n-]2)n1	ZINC000009767951	555491995	/nfs/dbraw/zinc/49/19/95/555491995.db2.gz	APJVWKIKXWBGNR-UHFFFAOYSA-N	-2	3	495.630	4.490	50	0		JIAAHL
O=C([O-])[C@@H](Cc1c(I)cc([O-])cc1I)c1ccccc1	ZINC000013603163	555530753	/nfs/dbraw/zinc/53/07/53/555530753.db2.gz	FYNZSGDSRNVKAU-NSHDSACASA-N	-2	3	494.066	4.012	50	0		JIAAHL
CC(=O)c1ccc(N2CCN(c3ccc([N-]S(=O)(=O)c4cccc(C)c4)cc3C(=O)[O-])CC2)cc1	ZINC000032961582	556578089	/nfs/dbraw/zinc/57/80/89/556578089.db2.gz	ZLBHINXWWDHJKP-UHFFFAOYSA-N	-2	3	493.585	4.023	50	0		JIAAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	ZINC000008384218	569589281	/nfs/dbraw/zinc/58/92/81/569589281.db2.gz	PUQWCQRHWMEMBT-UHFFFAOYSA-N	-2	3	483.322	4.323	50	0		JIAAHL
CCCn1nc(C)cc1CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1C(=O)[O-]	ZINC000032971082	569603575	/nfs/dbraw/zinc/60/35/75/569603575.db2.gz	PPXFROPAVWMKDB-UHFFFAOYSA-N	-2	3	470.595	4.354	50	0		JIAAHL
COc1cccc(N2CCN(c3ccc([N-]S(=O)(=O)c4cc(C)ccc4C)c(C(=O)[O-])c3)CC2)c1	ZINC000033006966	569615087	/nfs/dbraw/zinc/61/50/87/569615087.db2.gz	UHWXSVVWZPCCTI-UHFFFAOYSA-N	-2	3	495.601	4.138	50	0		JIAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4F)CC3)cc2C(=O)[O-])cc1	ZINC000033007054	569615166	/nfs/dbraw/zinc/61/51/66/569615166.db2.gz	QMNCKEKMXPIBQG-UHFFFAOYSA-N	-2	3	499.564	4.050	50	0		JIAAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])cc1	ZINC000033007017	569615258	/nfs/dbraw/zinc/61/52/58/569615258.db2.gz	FFSMJGGHCMXRSP-UHFFFAOYSA-N	-2	3	465.575	4.075	50	0		JIAAHL
CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)c(C(=O)[O-])c2)C1	ZINC000033007314	569615429	/nfs/dbraw/zinc/61/54/29/569615429.db2.gz	XAFZLQWBPNQTEN-LJQANCHMSA-N	-2	3	488.606	4.164	50	0		JIAAHL
CN1CCN(C(=O)C[C@@H](c2ccccc2)c2c([O-])cc([O-])c3c(=O)cc(-c4ccccc4)oc32)CC1	ZINC000096114585	569733697	/nfs/dbraw/zinc/73/36/97/569733697.db2.gz	GICSVNCSFDWENX-NRFANRHFSA-N	-2	3	484.552	4.167	50	0	biogenic	JIAAHL
COC(=O)C[C@H](c1ccc(OC)cc1)c1c([O-])c([C@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O	ZINC000253410002	570097553	/nfs/dbraw/zinc/09/75/53/570097553.db2.gz	MSKHVEPKWGDZGJ-XHCCPWGMSA-N	-2	3	493.512	4.033	50	0		JIAAHL
COC(=O)C[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000253623630	570105241	/nfs/dbraw/zinc/10/52/41/570105241.db2.gz	CFAXAYQGTKWSNM-IBGZPJMESA-N	-2	3	473.481	4.286	50	0		JIAAHL
COC(=O)C[C@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000253623752	570105328	/nfs/dbraw/zinc/10/53/28/570105328.db2.gz	JSQGQHWUQBXRSI-LJQANCHMSA-N	-2	3	473.481	4.286	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccccc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000012605862	195051695	/nfs/dbraw/zinc/05/16/95/195051695.db2.gz	GQFJTBNYXUYEDJ-UHFFFAOYSA-N	-2	3	497.392	4.059	50	0		JIAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(=O)c2c1	ZINC000020726875	195208268	/nfs/dbraw/zinc/20/82/68/195208268.db2.gz	XWMSIJUDDRVRAM-LBUQITIBSA-N	-2	3	467.591	4.192	50	0		JIAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c([O-])c2c1	ZINC000020726875	195208270	/nfs/dbraw/zinc/20/82/70/195208270.db2.gz	XWMSIJUDDRVRAM-LBUQITIBSA-N	-2	3	467.591	4.192	50	0		JIAAHL
Cc1ccc(C)c(N2CCN(c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3C(=O)[O-])CC2)c1	ZINC000033253006	524126978	/nfs/dbraw/zinc/12/69/78/524126978.db2.gz	HGMARXHEBKTEBY-UHFFFAOYSA-N	-2	3	483.565	4.268	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4cc(C)ccc4C)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253007	525082597	/nfs/dbraw/zinc/08/25/97/525082597.db2.gz	VSLGNHIRGKJJCZ-UHFFFAOYSA-N	-2	3	495.601	4.138	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1C	ZINC000033253093	525606869	/nfs/dbraw/zinc/60/68/69/525606869.db2.gz	JOJDRBSUAYMYJY-UHFFFAOYSA-N	-2	3	465.575	4.129	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2cccc3c2cccc3S(=O)(=O)[N-]c2ccc(OC)cc2)cc1	ZINC000000969724	553886982	/nfs/dbraw/zinc/88/69/82/553886982.db2.gz	FUTQNSCCQLFKJB-UHFFFAOYSA-N	-2	3	498.582	4.459	50	0		JIAAHL
O=C([O-])c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2c(F)cccc2Cl)cc1	ZINC000009292342	555067640	/nfs/dbraw/zinc/06/76/40/555067640.db2.gz	MXXPUJAGPGEIGE-NJDAHSKKSA-N	-2	3	466.852	4.228	50	0		JIAAHL
O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1	ZINC000009546286	555341027	/nfs/dbraw/zinc/34/10/27/555341027.db2.gz	YMNRNCWESJVNPE-UHFFFAOYSA-N	-2	3	490.456	4.326	50	0		JIAAHL
CCCN(CCC)C(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3ccccc3CC)cc2c1=O	ZINC000009680050	555407217	/nfs/dbraw/zinc/40/72/17/555407217.db2.gz	DDPLRRDVSGKQHF-UHFFFAOYSA-N	-2	3	455.580	4.154	50	0		JIAAHL
CCCN(CCC)C(=O)c1cnc2ccc(S(=O)(=O)[N-]c3ccccc3CC)cc2c1[O-]	ZINC000009680050	555407221	/nfs/dbraw/zinc/40/72/21/555407221.db2.gz	DDPLRRDVSGKQHF-UHFFFAOYSA-N	-2	3	455.580	4.154	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N[C@H]4CCCC[C@@H]4C)c(=O)c3c2)cc1	ZINC000009680069	555407456	/nfs/dbraw/zinc/40/74/56/555407456.db2.gz	AVJSZJQBVBTSDI-AOMKIAJQSA-N	-2	3	467.591	4.200	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N[C@H]4CCCC[C@@H]4C)c([O-])c3c2)cc1	ZINC000009680069	555407459	/nfs/dbraw/zinc/40/74/59/555407459.db2.gz	AVJSZJQBVBTSDI-AOMKIAJQSA-N	-2	3	467.591	4.200	50	0		JIAAHL
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12	ZINC000012560741	556053034	/nfs/dbraw/zinc/05/30/34/556053034.db2.gz	UHWBASIDHXLWPK-UHFFFAOYSA-N	-2	3	483.473	4.104	50	0		JIAAHL
O=C([O-])c1cc(N2CCCCCC2)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000033007125	569615432	/nfs/dbraw/zinc/61/54/32/569615432.db2.gz	ZMEFEKFHIQYCAW-UHFFFAOYSA-N	-2	3	453.358	4.329	50	0		JIAAHL
CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(C3CCCCC3)CC2)cc1	ZINC000063600959	569615723	/nfs/dbraw/zinc/61/57/23/569615723.db2.gz	AMDUNXLZLMBGTK-UHFFFAOYSA-N	-2	3	487.622	4.039	50	0		JIAAHL
COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096114773	569733947	/nfs/dbraw/zinc/73/39/47/569733947.db2.gz	MGDHKUUZYUOEDK-KRWDZBQOSA-N	-2	3	474.465	4.337	50	0	biogenic	JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C2(c3ccc(F)cc3)CC2)c1	ZINC000040058867	569815186	/nfs/dbraw/zinc/81/51/86/569815186.db2.gz	IWZWKMJPSJKKAV-UHFFFAOYSA-N	-2	3	456.495	4.011	50	0		JIAAHL
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000217596594	569880447	/nfs/dbraw/zinc/88/04/47/569880447.db2.gz	JUVKLQBTRIGKAP-IBGZPJMESA-N	-3	3	460.438	4.264	50	0	biogenic	JIAAHL
COC(=O)C[C@@H](c1ccccc1F)c1c([O-])c([C@@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O	ZINC000263587870	570172261	/nfs/dbraw/zinc/17/22/61/570172261.db2.gz	MCVKXNSBPPMUAG-QLXKLKPCSA-N	-2	3	481.476	4.163	50	0		JIAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1	ZINC000001139546	194043872	/nfs/dbraw/zinc/04/38/72/194043872.db2.gz	OAVWEMDCHQZWMR-UHFFFAOYSA-N	-2	3	460.577	4.304	50	0		JIAAHL
O=S(=O)([N-]c1ccccc1)c1ccc([N-]S(=O)(=O)c2c(F)cc(F)c(Cl)c2F)cc1	ZINC000003420041	194318514	/nfs/dbraw/zinc/31/85/14/194318514.db2.gz	PBPNXCDWOHWCRM-UHFFFAOYSA-N	-2	3	476.885	4.359	50	0		JIAAHL
CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OCc1ccccc1F	ZINC000004009897	194369282	/nfs/dbraw/zinc/36/92/82/194369282.db2.gz	GXNMIPRTGKTZMA-UHFFFAOYSA-N	-2	3	452.486	4.458	50	0		JIAAHL
COc1c2c(cc3c1[C@@H](c1c(=O)[n-]c(=S)n(-c4ccc(C(C)C)cc4)c1[O-])N(C)CC3)OCO2	ZINC000020757042	195216562	/nfs/dbraw/zinc/21/65/62/195216562.db2.gz	HBCMIBFHTOEYPE-FQEVSTJZSA-N	-2	3	481.574	4.039	50	0	biogenic	JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(C3CCCCC3)CC2)cc1C	ZINC000058009441	195362129	/nfs/dbraw/zinc/36/21/29/195362129.db2.gz	NAVPPJFZCNJIMD-UHFFFAOYSA-N	-2	3	471.623	4.257	50	0		JIAAHL
CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2C(=O)[O-])C1	ZINC000033253394	521121475	/nfs/dbraw/zinc/12/14/75/521121475.db2.gz	XOISCXIPLZGJBU-GOSISDBHSA-N	-2	3	474.579	4.089	50	0		JIAAHL
CCCn1nc(C)cc1CN(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-]	ZINC000033253815	521669047	/nfs/dbraw/zinc/66/90/47/521669047.db2.gz	JLEXVNVBFBJWMN-UHFFFAOYSA-N	-2	3	478.521	4.015	50	0		JIAAHL
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2cc(Br)c([O-])c(Br)c2)N1	ZINC000008762907	554662814	/nfs/dbraw/zinc/66/28/14/554662814.db2.gz	BQZNNKBCIMLNHM-CABCVRRESA-N	-2	3	466.129	4.087	50	0	biogenic	JIAAHL
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(Br)c([O-])c(Br)c2)N1	ZINC000008762910	554662829	/nfs/dbraw/zinc/66/28/29/554662829.db2.gz	BQZNNKBCIMLNHM-HUUCEWRRSA-N	-2	3	466.129	4.087	50	0	biogenic	JIAAHL
Cc1ccc(CNC(=O)c2c[n-]c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3c2=O)cc1	ZINC000009680126	555407902	/nfs/dbraw/zinc/40/79/02/555407902.db2.gz	BEFGQFCQCJMCTR-UHFFFAOYSA-N	-2	3	475.570	4.184	50	0		JIAAHL
Cc1ccc(CNC(=O)c2cnc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3c2[O-])cc1	ZINC000009680126	555407904	/nfs/dbraw/zinc/40/79/04/555407904.db2.gz	BEFGQFCQCJMCTR-UHFFFAOYSA-N	-2	3	475.570	4.184	50	0		JIAAHL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)NC3CCCCC3)c(=O)c2c1	ZINC000009833903	555536609	/nfs/dbraw/zinc/53/66/09/555536609.db2.gz	JFWMMZJMHQWVRT-UHFFFAOYSA-N	-2	3	473.982	4.353	50	0		JIAAHL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)NC3CCCCC3)c([O-])c2c1	ZINC000009833903	555536613	/nfs/dbraw/zinc/53/66/13/555536613.db2.gz	JFWMMZJMHQWVRT-UHFFFAOYSA-N	-2	3	473.982	4.353	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)cc1	ZINC000014224161	555734732	/nfs/dbraw/zinc/73/47/32/555734732.db2.gz	KUYPRPWSFDDDNQ-UHFFFAOYSA-N	-2	3	460.577	4.420	50	0		JIAAHL
O=C(c1ccc(Cl)cc1[O-])N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[n-]2)CC1	ZINC000032738032	556478274	/nfs/dbraw/zinc/47/82/74/556478274.db2.gz	BRNWHNFVQWDLLN-UHFFFAOYSA-N	-2	3	487.006	4.030	50	0		JIAAHL
Cc1cccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccccc4C)c(C(=O)[O-])c3)CC2)c1C	ZINC000033007033	569615249	/nfs/dbraw/zinc/61/52/49/569615249.db2.gz	NVJBCEVGDCPGRO-UHFFFAOYSA-N	-2	3	479.602	4.437	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4ccccc4F)CC3)cc2C(=O)[O-])cc1C	ZINC000063620109	569615811	/nfs/dbraw/zinc/61/58/11/569615811.db2.gz	OTDDGBIQIAIOMN-UHFFFAOYSA-N	-2	3	497.592	4.264	50	0		JIAAHL
COC(=O)C[C@H](c1ccc(C(=O)OC)cc1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096115323	569734201	/nfs/dbraw/zinc/73/42/01/569734201.db2.gz	NMHRLYPUHNLEGG-GOSISDBHSA-N	-2	3	474.465	4.353	50	0	biogenic	JIAAHL
COC(=O)C[C@@H](c1ccc(C(=O)OC)cc1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096115322	569734320	/nfs/dbraw/zinc/73/43/20/569734320.db2.gz	NMHRLYPUHNLEGG-SFHVURJKSA-N	-2	3	474.465	4.353	50	0	biogenic	JIAAHL
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccn4)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253030	519838767	/nfs/dbraw/zinc/83/87/67/519838767.db2.gz	ONNURLSIVKZNMV-UHFFFAOYSA-N	-2	3	480.590	4.031	50	0		JIAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)c3c2)cc1	ZINC000006181519	521133795	/nfs/dbraw/zinc/13/37/95/521133795.db2.gz	LQXSMLPWOZJQCY-KRWDZBQOSA-N	-2	3	491.569	4.219	50	0		JIAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N[C@@H](C)c4ccccc4)c([O-])c3c2)cc1	ZINC000006181519	521133803	/nfs/dbraw/zinc/13/38/03/521133803.db2.gz	LQXSMLPWOZJQCY-KRWDZBQOSA-N	-2	3	491.569	4.219	50	0		JIAAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(N(C)CCCc3c(C)nn(C)c3C)c(C(=O)[O-])c2)cc1	ZINC000033253692	524016961	/nfs/dbraw/zinc/01/69/61/524016961.db2.gz	FEQTUTIFSVISEY-UHFFFAOYSA-N	-2	3	484.622	4.167	50	0		JIAAHL
COc1ccccc1N1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2C(=O)[O-])CC1	ZINC000033253075	524564643	/nfs/dbraw/zinc/56/46/43/524564643.db2.gz	VPOUPBHLUCIGQN-UHFFFAOYSA-N	-2	3	495.601	4.138	50	0		JIAAHL
Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(c3ccccc3Cl)CC2)c(C(=O)[O-])c1	ZINC000033252937	525333322	/nfs/dbraw/zinc/33/33/22/525333322.db2.gz	YJBDSXLKVZJQOE-UHFFFAOYSA-N	-2	3	485.993	4.474	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4cccc(Cl)c4)CC3)c(C(=O)[O-])c2)cc1	ZINC000033252884	525607383	/nfs/dbraw/zinc/60/73/83/525607383.db2.gz	GTJARUPLXCOOMB-UHFFFAOYSA-N	-2	3	485.993	4.474	50	0		JIAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1N1CCN(c2cccc(Cl)c2)CC1	ZINC000033252886	526353838	/nfs/dbraw/zinc/35/38/38/526353838.db2.gz	JFHJXUPXLOMLFT-UHFFFAOYSA-N	-2	3	489.956	4.305	50	0		JIAAHL
Cc1nn(C)c(C)c1CCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1C(=O)[O-]	ZINC000033253690	527621367	/nfs/dbraw/zinc/62/13/67/527621367.db2.gz	XLOHOBAOBWZQLP-UHFFFAOYSA-N	-2	3	484.622	4.222	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1OC	ZINC000000916215	553846833	/nfs/dbraw/zinc/84/68/33/553846833.db2.gz	QTYHYECOJUDVHE-UHFFFAOYSA-N	-2	3	498.582	4.459	50	0		JIAAHL
CCOC(=O)[C@]([N-]c1cc(Cl)ccc1Cl)([N-]S(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000002050177	554010744	/nfs/dbraw/zinc/01/07/44/554010744.db2.gz	NAEQXUZONGEGGY-INIZCTEOSA-N	-2	3	471.284	4.206	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N[C@H]4CCCC[C@H]4C)c(=O)c3c2)cc1	ZINC000009680075	555407359	/nfs/dbraw/zinc/40/73/59/555407359.db2.gz	AVJSZJQBVBTSDI-ZHRRBRCNSA-N	-2	3	467.591	4.200	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N[C@H]4CCCC[C@H]4C)c([O-])c3c2)cc1	ZINC000009680075	555407362	/nfs/dbraw/zinc/40/73/62/555407362.db2.gz	AVJSZJQBVBTSDI-ZHRRBRCNSA-N	-2	3	467.591	4.200	50	0		JIAAHL
CC(=O)c1[n-]n(-c2c(Cl)cccc2Cl)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000017780974	556266603	/nfs/dbraw/zinc/26/66/03/556266603.db2.gz	SUIUJKYJRQBLAQ-CRAIPNDOSA-N	-2	3	450.709	4.278	50	0		JIAAHL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc21	ZINC000036365880	569772820	/nfs/dbraw/zinc/77/28/20/569772820.db2.gz	LBQYECQTSSRCLY-MUUNZHRXSA-N	-2	3	483.568	4.259	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(F)cc2Cl)c1	ZINC000036643870	569779587	/nfs/dbraw/zinc/77/95/87/569779587.db2.gz	KKTZLMNWJMJXAA-UHFFFAOYSA-N	-2	3	450.875	4.246	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)OCc2nc3ccccc3s2)c1	ZINC000003289103	194266228	/nfs/dbraw/zinc/26/62/28/194266228.db2.gz	WUUYGUNEXYNWAQ-UHFFFAOYSA-N	-2	3	470.528	4.168	50	0		JIAAHL
CC(C)CCNC(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2c1=O	ZINC000004647389	194393110	/nfs/dbraw/zinc/39/31/10/194393110.db2.gz	POQSQLUFOKHCPX-UHFFFAOYSA-N	-2	3	481.496	4.124	50	0		JIAAHL
CC(C)CCNC(=O)c1cnc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2c1[O-]	ZINC000004647389	194393113	/nfs/dbraw/zinc/39/31/13/194393113.db2.gz	POQSQLUFOKHCPX-UHFFFAOYSA-N	-2	3	481.496	4.124	50	0		JIAAHL
COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OC(=O)c1ccccc1Cl	ZINC000008854967	522952126	/nfs/dbraw/zinc/95/21/26/522952126.db2.gz	UAIKTYLXOQVKFT-UHFFFAOYSA-N	-2	3	468.897	4.222	50	0		JIAAHL
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1	ZINC000016146767	524877980	/nfs/dbraw/zinc/87/79/80/524877980.db2.gz	DYNKJBIXMSBUGG-UHFFFAOYSA-N	-2	3	496.994	4.267	50	0		JIAAHL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2C)cc1	ZINC000009491650	555269605	/nfs/dbraw/zinc/26/96/05/555269605.db2.gz	JGPFEWDHJXPQIH-UHFFFAOYSA-N	-2	3	493.994	4.208	50	0		JIAAHL
O=S(=O)(c1ccc([O-])cc1)c1ccc(-c2ccc(S(=O)(=O)c3ccc([O-])cc3)cc2)cc1	ZINC000019865898	555521338	/nfs/dbraw/zinc/52/13/38/555521338.db2.gz	ZGQLIMVIWCEOCP-UHFFFAOYSA-N	-2	3	466.536	4.430	50	0		JIAAHL
CC(=O)c1ccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3C(=O)[O-])CC2)cc1	ZINC000032961577	556578047	/nfs/dbraw/zinc/57/80/47/556578047.db2.gz	PURIEEPDYZGTSG-UHFFFAOYSA-N	-2	3	493.585	4.023	50	0		JIAAHL
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(Cc3ccccc3F)CC2)cc1	ZINC000032962015	569602751	/nfs/dbraw/zinc/60/27/51/569602751.db2.gz	JASWFKGAEKRGQH-UHFFFAOYSA-N	-2	3	497.592	4.209	50	0		JIAAHL
O=C([O-])c1cc(N2CCN(c3ccccc3Cl)CC2)ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000033006912	569615019	/nfs/dbraw/zinc/61/50/19/569615019.db2.gz	ODFPCFSTBKXQJI-UHFFFAOYSA-N	-2	3	471.966	4.166	50	0		JIAAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])cc1C	ZINC000033007063	569615182	/nfs/dbraw/zinc/61/51/82/569615182.db2.gz	QWCTUHOPNPORDI-UHFFFAOYSA-N	-2	3	479.602	4.437	50	0		JIAAHL
CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(c3ccccc3)CC2)cc1C(=O)[O-]	ZINC000033007073	569615234	/nfs/dbraw/zinc/61/52/34/569615234.db2.gz	UTDQQTBLPARASB-UHFFFAOYSA-N	-2	3	465.575	4.075	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1C	ZINC000089651366	569719398	/nfs/dbraw/zinc/71/93/98/569719398.db2.gz	VEUSMBLCRRPJHX-UHFFFAOYSA-N	-2	3	484.958	4.398	50	0		JIAAHL
COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1c(=O)cc([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000096113722	569732930	/nfs/dbraw/zinc/73/29/30/569732930.db2.gz	ZFYYZUGRXZNJPU-MRXNPFEDSA-N	-2	3	490.464	4.304	50	0	biogenic	JIAAHL
O=C(C[C@@H](c1ccccc1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1	ZINC000096114168	569733236	/nfs/dbraw/zinc/73/32/36/569733236.db2.gz	HKINTJMYLSJRRE-FQEVSTJZSA-N	-2	3	471.509	4.252	50	0	biogenic	JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1	ZINC000001125946	194036125	/nfs/dbraw/zinc/03/61/25/194036125.db2.gz	BEFGSOFWHNJQMH-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cc1	ZINC000012630699	195062670	/nfs/dbraw/zinc/06/26/70/195062670.db2.gz	DDAKTRQJHWOSMF-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
CCCn1nc(C)cc1CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-]	ZINC000033253804	521669684	/nfs/dbraw/zinc/66/96/84/521669684.db2.gz	XFCPBZGVALIFKO-UHFFFAOYSA-N	-2	3	456.568	4.045	50	0		JIAAHL
CCn1nc(C)c(CCN(C)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2C(=O)[O-])c1C	ZINC000033253785	523632725	/nfs/dbraw/zinc/63/27/25/523632725.db2.gz	ITUNWGBCSXECPO-UHFFFAOYSA-N	-2	3	484.622	4.315	50	0		JIAAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(N(C)CCc3c(C)nn(CC)c3C)c(C(=O)[O-])c2)cc1	ZINC000033253789	524017365	/nfs/dbraw/zinc/01/73/65/524017365.db2.gz	FXLYIMZGMBYLRG-UHFFFAOYSA-N	-2	3	484.622	4.260	50	0		JIAAHL
Cc1cccc(N2CCN(c3ccc([N-]S(=O)(=O)c4cccc(F)c4)cc3C(=O)[O-])C[C@@H]2C)c1	ZINC000033253541	524560611	/nfs/dbraw/zinc/56/06/11/524560611.db2.gz	RPHIJMYKBFFRJJ-SFHVURJKSA-N	-2	3	483.565	4.348	50	0		JIAAHL
Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCN(c3ccccc3F)CC2)c(C(=O)[O-])c1	ZINC000033253135	524873995	/nfs/dbraw/zinc/87/39/95/524873995.db2.gz	YRUUJEHWJXZDLR-UHFFFAOYSA-N	-2	3	487.528	4.099	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4cccc(F)c4)CC3)c(C(=O)[O-])c2)cc1C	ZINC000033253225	525607414	/nfs/dbraw/zinc/60/74/14/525607414.db2.gz	NGIJOAIQPLYEKT-UHFFFAOYSA-N	-2	3	497.592	4.264	50	0		JIAAHL
COc1cc(-c2ccc([N-]S(=O)(=O)CC(C)C)c(OC)c2)ccc1[N-]S(=O)(=O)CC(C)C	ZINC000002746637	554324370	/nfs/dbraw/zinc/32/43/70/554324370.db2.gz	CEGYUZYUSVAPFY-UHFFFAOYSA-N	-2	3	484.640	4.166	50	0		JIAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)cc1	ZINC000009373624	555135341	/nfs/dbraw/zinc/13/53/41/555135341.db2.gz	SUWMGHBOYFMWSH-UHFFFAOYSA-N	-2	3	476.576	4.004	50	0		JIAAHL
CCCCN(CC)C(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3cccc(SC)c3)cc2c1=O	ZINC000009680189	555407723	/nfs/dbraw/zinc/40/77/23/555407723.db2.gz	LVCOKDDANWPDIU-UHFFFAOYSA-N	-2	3	473.620	4.313	50	0		JIAAHL
CCCCN(CC)C(=O)c1cnc2ccc(S(=O)(=O)[N-]c3cccc(SC)c3)cc2c1[O-]	ZINC000009680189	555407728	/nfs/dbraw/zinc/40/77/28/555407728.db2.gz	LVCOKDDANWPDIU-UHFFFAOYSA-N	-2	3	473.620	4.313	50	0		JIAAHL
CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ncccc3[O-])c2)cc1Br	ZINC000022264609	555906753	/nfs/dbraw/zinc/90/67/53/555906753.db2.gz	BTYYNJMHUQSLCZ-UHFFFAOYSA-N	-2	3	492.351	4.002	50	0		JIAAHL
Cc1cccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3C(=O)[O-])C[C@H]2C)c1	ZINC000033253532	569621902	/nfs/dbraw/zinc/62/19/02/569621902.db2.gz	CBBJCDAOEQDXHW-GOSISDBHSA-N	-2	3	483.565	4.348	50	0		JIAAHL
COC(=O)C[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000253623631	570105246	/nfs/dbraw/zinc/10/52/46/570105246.db2.gz	CFAXAYQGTKWSNM-LJQANCHMSA-N	-2	3	473.481	4.286	50	0		JIAAHL
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)c1	ZINC000001111224	194027511	/nfs/dbraw/zinc/02/75/11/194027511.db2.gz	ZKCOXZDNVFXTSQ-UHFFFAOYSA-N	-2	3	498.582	4.459	50	0		JIAAHL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1	ZINC000001148112	194049192	/nfs/dbraw/zinc/04/91/92/194049192.db2.gz	CVSSXEKJESGXGR-UHFFFAOYSA-N	-2	3	493.994	4.208	50	0		JIAAHL
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cc(Br)c([O-])c(Br)c2)N1	ZINC000001814607	194145385	/nfs/dbraw/zinc/14/53/85/194145385.db2.gz	BQZNNKBCIMLNHM-GJZGRUSLSA-N	-2	3	466.129	4.087	50	0	biogenic	JIAAHL
O=S(=O)([N-]c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1	ZINC000012604678	195049841	/nfs/dbraw/zinc/04/98/41/195049841.db2.gz	NNYXNSAUOKKWMX-UHFFFAOYSA-N	-2	3	456.467	4.307	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(C(=O)[O-])c2)cc1	ZINC000033253534	525082781	/nfs/dbraw/zinc/08/27/81/525082781.db2.gz	NWFRTHRMLLBILI-IBGZPJMESA-N	-2	3	495.601	4.218	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)CCc3c(C)noc3C)c(C(=O)[O-])c2)cc1Cl	ZINC000033253774	525083961	/nfs/dbraw/zinc/08/39/61/525083961.db2.gz	RCZFQXUZCWNPBV-UHFFFAOYSA-N	-2	3	493.969	4.131	50	0		JIAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1S(=O)(=O)[N-]c1ccccc1F	ZINC000016096522	525304686	/nfs/dbraw/zinc/30/46/86/525304686.db2.gz	WRDXLYUYERDMEB-UHFFFAOYSA-N	-2	3	460.552	4.224	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4ccccc4F)CC3)c(C(=O)[O-])c2)c(C)c1	ZINC000033253237	525607471	/nfs/dbraw/zinc/60/74/71/525607471.db2.gz	GQGNFNPDJUBRHK-UHFFFAOYSA-N	-2	3	497.592	4.264	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1C	ZINC000002838543	554371331	/nfs/dbraw/zinc/37/13/31/554371331.db2.gz	BBSPSIPFXOJLNK-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
O=c1[n-]c(-c2cc(Br)ccc2[O-])nc2c1Cc1cc(Br)ccc1O2	ZINC000009290405	555064906	/nfs/dbraw/zinc/06/49/06/555064906.db2.gz	CSNNKGUMLKMTSX-UHFFFAOYSA-N	-2	3	450.086	4.364	50	0		JIAAHL
CCCN(CCC)C(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3ccc(CC)cc3)cc2c1=O	ZINC000009680095	555407161	/nfs/dbraw/zinc/40/71/61/555407161.db2.gz	DELUQUKTTNPGND-UHFFFAOYSA-N	-2	3	455.580	4.154	50	0		JIAAHL
CCCN(CCC)C(=O)c1cnc2ccc(S(=O)(=O)[N-]c3ccc(CC)cc3)cc2c1[O-]	ZINC000009680095	555407162	/nfs/dbraw/zinc/40/71/62/555407162.db2.gz	DELUQUKTTNPGND-UHFFFAOYSA-N	-2	3	455.580	4.154	50	0		JIAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000014223996	555734703	/nfs/dbraw/zinc/73/47/03/555734703.db2.gz	QJMADUZYWSQJEE-UHFFFAOYSA-N	-2	3	481.393	4.359	50	0		JIAAHL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)cc1	ZINC000014224131	555734710	/nfs/dbraw/zinc/73/47/10/555734710.db2.gz	NNUKWBVPDGQQDT-UHFFFAOYSA-N	-2	3	487.603	4.172	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2)cc1	ZINC000014224166	555734727	/nfs/dbraw/zinc/73/47/27/555734727.db2.gz	XGAJVEWNZBANGW-UHFFFAOYSA-N	-2	3	474.604	4.495	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)c(C)c1	ZINC000032961649	556578533	/nfs/dbraw/zinc/57/85/33/556578533.db2.gz	PACOQHJCLRAFTN-UHFFFAOYSA-N	-2	3	483.565	4.268	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(Cc3cccc(F)c3)CC2)c(C)c1	ZINC000032961999	569602704	/nfs/dbraw/zinc/60/27/04/569602704.db2.gz	MSTQGBAOPNXWJA-UHFFFAOYSA-N	-2	3	497.592	4.264	50	0		JIAAHL
Cc1cccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)c(C(=O)[O-])c3)CC2)c1C	ZINC000033006877	569615057	/nfs/dbraw/zinc/61/50/57/569615057.db2.gz	KCJKRNFODYCWIH-UHFFFAOYSA-N	-2	3	483.565	4.268	50	0		JIAAHL
CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccn4)CC3)cc2C(=O)[O-])cc1	ZINC000033007014	569615164	/nfs/dbraw/zinc/61/51/64/569615164.db2.gz	BDYOLXKKTHWVPC-UHFFFAOYSA-N	-2	3	494.617	4.106	50	0		JIAAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4ccccc4F)CC3)cc2C(=O)[O-])c1	ZINC000063620105	569615676	/nfs/dbraw/zinc/61/56/76/569615676.db2.gz	FCBVQKLOFDEQSQ-UHFFFAOYSA-N	-2	3	497.592	4.264	50	0		JIAAHL
COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096114424	569733411	/nfs/dbraw/zinc/73/34/11/569733411.db2.gz	UQYLTSRPBBJRMY-INIZCTEOSA-N	-2	3	460.438	4.295	50	0	biogenic	JIAAHL
COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)ccc1OCC(=O)[O-]	ZINC000096116267	569735335	/nfs/dbraw/zinc/73/53/35/569735335.db2.gz	GGDNIJLHUSJKEP-MRXNPFEDSA-N	-2	3	488.448	4.079	50	0	biogenic	JIAAHL
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000217596516	569880442	/nfs/dbraw/zinc/88/04/42/569880442.db2.gz	JUVKLQBTRIGKAP-LJQANCHMSA-N	-3	3	460.438	4.264	50	0	biogenic	JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1	ZINC000001150854	194050355	/nfs/dbraw/zinc/05/03/55/194050355.db2.gz	JTRCGJKJGQYHCM-UHFFFAOYSA-N	-2	3	481.393	4.359	50	0		JIAAHL
O=C1c2ccccc2C(=O)N1c1ccc(Cc2ccc(N3C(=O)c4ccccc4C3=O)c([O-])c2)cc1[O-]	ZINC000003143028	194231436	/nfs/dbraw/zinc/23/14/36/194231436.db2.gz	MKNMKONIUYXWAS-UHFFFAOYSA-N	-2	3	490.471	4.290	50	0		JIAAHL
CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OCc1ccc(F)cc1	ZINC000004009615	194369308	/nfs/dbraw/zinc/36/93/08/194369308.db2.gz	FIZUUOXAFRDYJT-UHFFFAOYSA-N	-2	3	452.486	4.458	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000012605459	195050978	/nfs/dbraw/zinc/05/09/78/195050978.db2.gz	QVFYVOADRKFDFX-UHFFFAOYSA-N	-2	3	464.540	4.053	50	0		JIAAHL
O=C1[N-][C@@]([N-]c2nc3ccc(OC(F)(F)F)cc3s2)(C(F)(F)F)C(=O)N1Cc1cccnc1	ZINC000096231151	130000185	/nfs/dbraw/zinc/00/01/85/130000185.db2.gz	UQCINMYGRCYZLV-MRXNPFEDSA-N	-2	3	491.373	4.012	50	0		JIAAHL
CCOC(=O)C1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2C(=O)[O-])CC1	ZINC000033253517	520585822	/nfs/dbraw/zinc/58/58/22/520585822.db2.gz	RHOKYKFRLRWXGP-UHFFFAOYSA-N	-2	3	474.579	4.089	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCCc4cccc(C)c4)c(=O)c3c2)cc1	ZINC000006181498	523996246	/nfs/dbraw/zinc/99/62/46/523996246.db2.gz	NQVITFNBLIRQKO-UHFFFAOYSA-N	-2	3	489.597	4.172	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCCc4cccc(C)c4)c([O-])c3c2)cc1	ZINC000006181498	523996251	/nfs/dbraw/zinc/99/62/51/523996251.db2.gz	NQVITFNBLIRQKO-UHFFFAOYSA-N	-2	3	489.597	4.172	50	0		JIAAHL
COc1ccccc1N1CCN(c2ccc([N-]S(=O)(=O)c3cc(C)cc(C)c3)cc2C(=O)[O-])CC1	ZINC000033253080	524564760	/nfs/dbraw/zinc/56/47/60/524564760.db2.gz	INQUHKRNFGCPKP-UHFFFAOYSA-N	-2	3	495.601	4.138	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)c(C)c1	ZINC000033253092	525607266	/nfs/dbraw/zinc/60/72/66/525607266.db2.gz	PPKKJRVOGSESCH-UHFFFAOYSA-N	-2	3	465.575	4.129	50	0		JIAAHL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N3CCc4ccccc43)c(=O)c2c1	ZINC000006181483	525778847	/nfs/dbraw/zinc/77/88/47/525778847.db2.gz	FRKBUBUOOKYMAJ-UHFFFAOYSA-N	-2	3	493.972	4.494	50	0		JIAAHL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N3CCc4ccccc43)c([O-])c2c1	ZINC000006181483	525778857	/nfs/dbraw/zinc/77/88/57/525778857.db2.gz	FRKBUBUOOKYMAJ-UHFFFAOYSA-N	-2	3	493.972	4.494	50	0		JIAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1N1CCN(c2ccccc2Cl)CC1	ZINC000033252936	526354715	/nfs/dbraw/zinc/35/47/15/526354715.db2.gz	UXRMXZCDZZUVIN-UHFFFAOYSA-N	-2	3	489.956	4.305	50	0		JIAAHL
Cc1noc(C)c1CCN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-]	ZINC000021883424	526490749	/nfs/dbraw/zinc/49/07/49/526490749.db2.gz	GLGBORSXSQXILO-UHFFFAOYSA-N	-2	3	483.590	4.348	50	0		JIAAHL
O=S(=O)([N-]c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccc(F)cc1	ZINC000008746739	554649795	/nfs/dbraw/zinc/64/97/95/554649795.db2.gz	QVOFMBYKBBFFJN-UHFFFAOYSA-N	-2	3	474.457	4.446	50	0		JIAAHL
COc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)c2ccccc12	ZINC000008878355	554774095	/nfs/dbraw/zinc/77/40/95/554774095.db2.gz	QQBTVHISLTXTGC-LJQANCHMSA-N	-2	3	493.512	4.009	50	0	biogenic	JIAAHL
COc1c2c(cc3c1[C@H](c1c(=O)[n-]c(=S)n(-c4cccc5ccccc54)c1[O-])N(C)CC3)OCO2	ZINC000008952391	554836010	/nfs/dbraw/zinc/83/60/10/554836010.db2.gz	VNMLFDCWKREWBR-OAQYLSRUSA-N	-2	3	489.553	4.068	50	0	biogenic	JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1	ZINC000009540071	555332598	/nfs/dbraw/zinc/33/25/98/555332598.db2.gz	ODABYJRGEOYQOV-UHFFFAOYSA-N	-2	3	460.577	4.222	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccc(Cl)cc2)c1	ZINC000012548574	556026833	/nfs/dbraw/zinc/02/68/33/556026833.db2.gz	OUZIPFBJEKLNHW-UHFFFAOYSA-N	-2	3	460.939	4.426	50	0		JIAAHL
O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000062595135	569612683	/nfs/dbraw/zinc/61/26/83/569612683.db2.gz	PZSFWEZVRWFXMJ-UHFFFAOYSA-N	-2	3	488.884	4.288	50	0		JIAAHL
CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)c(C(=O)[O-])c2)C1	ZINC000033007289	569615395	/nfs/dbraw/zinc/61/53/95/569615395.db2.gz	NCGKJELTEDOLJG-GOSISDBHSA-N	-2	3	474.579	4.089	50	0		JIAAHL
O=C([O-])c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2c(F)cccc2Cl)cc1	ZINC000226934418	570039528	/nfs/dbraw/zinc/03/95/28/570039528.db2.gz	MXXPUJAGPGEIGE-PCCBWWKXSA-N	-2	3	466.852	4.228	50	0		JIAAHL
COC(=O)C[C@H](c1ccccc1OC)c1c([O-])c([C@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O	ZINC000263584884	570170654	/nfs/dbraw/zinc/17/06/54/570170654.db2.gz	BUDKKUIGCPGGPJ-DNOBIOAJSA-N	-2	3	493.512	4.033	50	0		JIAAHL
COC(=O)C[C@H](c1ccccc1F)c1c([O-])c([C@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O	ZINC000263587872	570172287	/nfs/dbraw/zinc/17/22/87/570172287.db2.gz	MCVKXNSBPPMUAG-WGDIFIGCSA-N	-2	3	481.476	4.163	50	0		JIAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1	ZINC000001127014	194036647	/nfs/dbraw/zinc/03/66/47/194036647.db2.gz	MZROIPAIQKFUAJ-UHFFFAOYSA-N	-2	3	460.577	4.304	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1	ZINC000001146056	194047859	/nfs/dbraw/zinc/04/78/59/194047859.db2.gz	ZETJDOWKRXZYAF-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
CCCn1nc(C)cc1CN(C)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1C(=O)[O-]	ZINC000033253806	521669522	/nfs/dbraw/zinc/66/95/22/521669522.db2.gz	ZDEKEGMEQXYUQA-UHFFFAOYSA-N	-2	3	470.595	4.354	50	0		JIAAHL
CCn1nc(C)c(CCN(C)c2ccc([N-]S(=O)(=O)c3cc(C)cc(C)c3)cc2C(=O)[O-])c1C	ZINC000033253798	523632018	/nfs/dbraw/zinc/63/20/18/523632018.db2.gz	CKNLNGWUAADSLB-UHFFFAOYSA-N	-2	3	484.622	4.315	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCc5ccccc5C4)c(=O)c3c2)cc1	ZINC000006181493	523996280	/nfs/dbraw/zinc/99/62/80/523996280.db2.gz	ZCDIAADIVGZMTM-UHFFFAOYSA-N	-2	3	487.581	4.090	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N4CCc5ccccc5C4)c([O-])c3c2)cc1	ZINC000006181493	523996282	/nfs/dbraw/zinc/99/62/82/523996282.db2.gz	ZCDIAADIVGZMTM-UHFFFAOYSA-N	-2	3	487.581	4.090	50	0		JIAAHL
Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4F)CC3)c(C(=O)[O-])c2)c1	ZINC000033253140	524456815	/nfs/dbraw/zinc/45/68/15/524456815.db2.gz	UUFFGDQQLPBSOF-UHFFFAOYSA-N	-2	3	483.565	4.268	50	0		JIAAHL
Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCN(c3ccc(F)cc3)CC2)c(C(=O)[O-])c1	ZINC000033253058	524873549	/nfs/dbraw/zinc/87/35/49/524873549.db2.gz	KBQCVJPTXQZANN-UHFFFAOYSA-N	-2	3	487.528	4.099	50	0		JIAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2)ccc1N1CCN(c2ccccc2Cl)CC1	ZINC000033252932	526354396	/nfs/dbraw/zinc/35/43/96/526354396.db2.gz	NDLRWGHQABHPRI-UHFFFAOYSA-N	-2	3	471.966	4.166	50	0		JIAAHL
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc2c(c1)OCCO2	ZINC000000660565	553739233	/nfs/dbraw/zinc/73/92/33/553739233.db2.gz	HIABNOLDHUZDOJ-UHFFFAOYSA-N	-2	3	496.566	4.213	50	0		JIAAHL
Cc1cccc([N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)ccc2C)c1	ZINC000009547976	555344475	/nfs/dbraw/zinc/34/44/75/555344475.db2.gz	LJPPKUXQPSQUSZ-UHFFFAOYSA-N	-2	3	499.614	4.032	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1	ZINC000020550399	555807200	/nfs/dbraw/zinc/80/72/00/555807200.db2.gz	ULUAIPYHZAVVMB-UHFFFAOYSA-N	-2	3	460.577	4.420	50	0		JIAAHL
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)c(Br)c1	ZINC000032586413	556447225	/nfs/dbraw/zinc/44/72/25/556447225.db2.gz	INMWHDYIFBCKNS-UHFFFAOYSA-N	-2	3	455.149	4.081	50	0		JIAAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])c1	ZINC000033006968	569615090	/nfs/dbraw/zinc/61/50/90/569615090.db2.gz	UABZZMUOGROXKK-UHFFFAOYSA-N	-2	3	465.575	4.129	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)cc1	ZINC000089639182	569719304	/nfs/dbraw/zinc/71/93/04/569719304.db2.gz	MWHPUAYHAKVXCV-UHFFFAOYSA-N	-2	3	481.393	4.359	50	0		JIAAHL
COC(=O)C[C@H](c1ccccc1)c1c([O-])c([C@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O	ZINC000263585186	570170947	/nfs/dbraw/zinc/17/09/47/570170947.db2.gz	GAUWFPKJEUJOAU-WXTAPIANSA-N	-2	3	463.486	4.024	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1	ZINC000001161387	194055052	/nfs/dbraw/zinc/05/50/52/194055052.db2.gz	DTXPBQLFBDYPDJ-UHFFFAOYSA-N	-2	3	468.556	4.450	50	0		JIAAHL
COc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)cc(OC)c1[O-]	ZINC000020492311	521895046	/nfs/dbraw/zinc/89/50/46/521895046.db2.gz	LUNZWSMGGWQKBA-UHFFFAOYSA-N	-2	3	470.279	4.475	50	0		JIAAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1C	ZINC000033253105	524325339	/nfs/dbraw/zinc/32/53/39/524325339.db2.gz	LEQQHZOCKYMMKG-UHFFFAOYSA-N	-2	3	479.602	4.437	50	0		JIAAHL
CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C(C)=O)cc3)c2)cc1	ZINC000000645233	553726347	/nfs/dbraw/zinc/72/63/47/553726347.db2.gz	HJRDUSCVJFJNTD-UHFFFAOYSA-N	-2	3	486.571	4.002	50	0		JIAAHL
CCOC(=O)[C@@]([N-]c1cc(Cl)ccc1Cl)([N-]S(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000002050176	554010384	/nfs/dbraw/zinc/01/03/84/554010384.db2.gz	NAEQXUZONGEGGY-MRXNPFEDSA-N	-2	3	471.284	4.206	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)cc1Cl	ZINC000002876779	554399125	/nfs/dbraw/zinc/39/91/25/554399125.db2.gz	UHMOFQYCMBDXEN-UHFFFAOYSA-N	-2	3	496.994	4.267	50	0		JIAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)cc2)cc1Cl	ZINC000006270353	554523626	/nfs/dbraw/zinc/52/36/26/554523626.db2.gz	GKNPAZFIZUNGFE-UHFFFAOYSA-N	-2	3	493.994	4.073	50	0		JIAAHL
CCOC(=O)c1cc(-c2ccc(C(c3c(C)[n-][nH]c3=O)c3c(C)[n-][nH]c3=O)o2)ccc1Cl	ZINC000008426113	554581139	/nfs/dbraw/zinc/58/11/39/554581139.db2.gz	SQWBKNBEOUUXDP-UHFFFAOYSA-N	-2	3	456.886	4.431	50	0		JIAAHL
CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OC(=O)c1ccc(F)cc1	ZINC000009272784	555045074	/nfs/dbraw/zinc/04/50/74/555045074.db2.gz	WVUUGFDTBUNACW-UHFFFAOYSA-N	-2	3	466.469	4.098	50	0		JIAAHL
CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1	ZINC000009355984	555120691	/nfs/dbraw/zinc/12/06/91/555120691.db2.gz	ODDBWGKHDPPXNG-UHFFFAOYSA-N	-2	3	495.582	4.264	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(Cc3ccccc3F)CC2)cc1C	ZINC000032962014	569602686	/nfs/dbraw/zinc/60/26/86/569602686.db2.gz	JFDKQHIYZDJKMK-UHFFFAOYSA-N	-2	3	497.592	4.264	50	0		JIAAHL
CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(Cc3ccccc3F)CC2)cc1C(=O)[O-]	ZINC000063620122	569615720	/nfs/dbraw/zinc/61/57/20/569615720.db2.gz	KXDRZXRHHBYJGU-UHFFFAOYSA-N	-2	3	497.592	4.209	50	0		JIAAHL
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Br)cc1	ZINC000001143658	194046164	/nfs/dbraw/zinc/04/61/64/194046164.db2.gz	KHEXMPOOAJRWJM-UHFFFAOYSA-N	-2	3	467.366	4.051	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2[C@@H](NCC(=O)[O-])c2ccccc2)cc1	ZINC000001516595	194127228	/nfs/dbraw/zinc/12/72/28/194127228.db2.gz	ZICHOBXDQPYPPG-QFIPXVFZSA-N	-2	3	489.391	4.322	50	0		JIAAHL
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(Br)cc1	ZINC000002991955	194196783	/nfs/dbraw/zinc/19/67/83/194196783.db2.gz	DYPKOCSXMHFIKT-UHFFFAOYSA-N	-2	3	485.356	4.190	50	0		JIAAHL
CCN(Cc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1C(=O)[O-]	ZINC000033253319	521376406	/nfs/dbraw/zinc/37/64/06/521376406.db2.gz	VIIMJBXHSCPQCY-UHFFFAOYSA-N	-2	3	470.547	4.229	50	0		JIAAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4cccc(F)c4)CC3)c(C(=O)[O-])c2)c1	ZINC000033253223	524195924	/nfs/dbraw/zinc/19/59/24/524195924.db2.gz	XYLNJZRVGUJHKI-UHFFFAOYSA-N	-2	3	497.592	4.264	50	0		JIAAHL
COc1ccccc1N1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2C(=O)[O-])CC1	ZINC000033253074	524563807	/nfs/dbraw/zinc/56/38/07/524563807.db2.gz	VJUQYTLPNFIFPR-UHFFFAOYSA-N	-2	3	495.601	4.138	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000009739252	555470878	/nfs/dbraw/zinc/47/08/78/555470878.db2.gz	VYEQKAHOZNQUME-UHFFFAOYSA-N	-2	3	470.931	4.089	50	0		JIAAHL
COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096114774	569733866	/nfs/dbraw/zinc/73/38/66/569733866.db2.gz	MGDHKUUZYUOEDK-QGZVFWFLSA-N	-2	3	474.465	4.337	50	0	biogenic	JIAAHL
COC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096116048	569735005	/nfs/dbraw/zinc/73/50/05/569735005.db2.gz	TUJUSBIXUUGVQK-QGZVFWFLSA-N	-2	3	483.476	4.408	50	0	biogenic	JIAAHL
O=C([O-])c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2c(F)cccc2Cl)cc1	ZINC000102766101	569823062	/nfs/dbraw/zinc/82/30/62/569823062.db2.gz	MXXPUJAGPGEIGE-PWRODBHTSA-N	-2	3	466.852	4.228	50	0		JIAAHL
Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4cccc(F)c4)CC3)c(C(=O)[O-])c2)c1	ZINC000033253229	524456441	/nfs/dbraw/zinc/45/64/41/524456441.db2.gz	YQVOTOBOIHWDHG-UHFFFAOYSA-N	-2	3	497.592	4.264	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3F)c2)cc1	ZINC000016131238	524691781	/nfs/dbraw/zinc/69/17/81/524691781.db2.gz	KKKPYKGTMPIFQG-UHFFFAOYSA-N	-2	3	484.958	4.398	50	0		JIAAHL
Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4cc(C)ccc4C)CC3)c(C(=O)[O-])c2)c1	ZINC000033253015	524807066	/nfs/dbraw/zinc/80/70/66/524807066.db2.gz	ZUBLVLZHNRJDFI-UHFFFAOYSA-N	-2	3	479.602	4.437	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4cccc(C)c4C)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253000	525605767	/nfs/dbraw/zinc/60/57/67/525605767.db2.gz	UHTRFFKUALGQRD-UHFFFAOYSA-N	-2	3	479.602	4.437	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)cc3)cc2)c(OC)c1	ZINC000002873624	554396825	/nfs/dbraw/zinc/39/68/25/554396825.db2.gz	VRVJULBMUYSADR-UHFFFAOYSA-N	-2	3	494.616	4.027	50	0		JIAAHL
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1	ZINC000010059748	555610545	/nfs/dbraw/zinc/61/05/45/555610545.db2.gz	LNYSBSPRHXZMIQ-UHFFFAOYSA-N	-2	3	493.994	4.073	50	0		JIAAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)c1	ZINC000032961646	556578489	/nfs/dbraw/zinc/57/84/89/556578489.db2.gz	SXAKSUJOGQCRBY-UHFFFAOYSA-N	-2	3	483.565	4.268	50	0		JIAAHL
Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1C(=O)[O-]	ZINC000033007029	569615184	/nfs/dbraw/zinc/61/51/84/569615184.db2.gz	LXARJFMLFCUGCY-UHFFFAOYSA-N	-2	3	485.993	4.474	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1C	ZINC000001146231	194047812	/nfs/dbraw/zinc/04/78/12/194047812.db2.gz	OJZFGTDHPCGUQE-UHFFFAOYSA-N	-2	3	460.577	4.222	50	0		JIAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1S(=O)(=O)[N-]c1ccccc1F	ZINC000012605660	195051420	/nfs/dbraw/zinc/05/14/20/195051420.db2.gz	ZIAQNMFTUWKFAX-UHFFFAOYSA-N	-2	3	474.457	4.153	50	0		JIAAHL
O=c1[n-]c(=S)n(CCc2ccccc2)c([O-])c1[C@H]1NCCc2c3cc(Cl)ccc3[nH]c21	ZINC000020621937	195190216	/nfs/dbraw/zinc/19/02/16/195190216.db2.gz	HKGVLEJVDUCPMI-HXUWFJFHSA-N	-2	3	452.967	4.224	50	0		JIAAHL
Cc1cccc(N2CCN(c3ccc([N-]S(=O)(=O)c4cccc(F)c4)cc3C(=O)[O-])CC2)c1C	ZINC000033253002	524560958	/nfs/dbraw/zinc/56/09/58/524560958.db2.gz	ABQKZVHCWVKFND-UHFFFAOYSA-N	-2	3	483.565	4.268	50	0		JIAAHL
Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4Cl)CC3)c(C(=O)[O-])c2)c1	ZINC000033252938	524807441	/nfs/dbraw/zinc/80/74/41/524807441.db2.gz	UEFWLEHTUJVLAI-UHFFFAOYSA-N	-2	3	485.993	4.474	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4cc(C)ccc4C)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253010	525605874	/nfs/dbraw/zinc/60/58/74/525605874.db2.gz	GWXDFYXPHUGFMC-UHFFFAOYSA-N	-2	3	479.602	4.437	50	0		JIAAHL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1	ZINC000016250028	525778679	/nfs/dbraw/zinc/77/86/79/525778679.db2.gz	WFDXAEFMXYWOGG-UHFFFAOYSA-N	-2	3	493.994	4.073	50	0		JIAAHL
O=C(COc1ccccc1F)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-]	ZINC000012495992	526993011	/nfs/dbraw/zinc/99/30/11/526993011.db2.gz	VYEFMXBVYMEUMI-UHFFFAOYSA-N	-2	3	450.875	4.003	50	0		JIAAHL
O=C(NC1CCCC1)c1c[n-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2c1=O	ZINC000008595402	527509855	/nfs/dbraw/zinc/50/98/55/527509855.db2.gz	KGMUUGNWSHQKKS-UHFFFAOYSA-N	-2	3	479.480	4.020	50	0	aggregator	JIAAHL
O=C(NC1CCCC1)c1cnc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2c1[O-]	ZINC000008595402	527509860	/nfs/dbraw/zinc/50/98/60/527509860.db2.gz	KGMUUGNWSHQKKS-UHFFFAOYSA-N	-2	3	479.480	4.020	50	0	aggregator	JIAAHL
O=C1c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc21	ZINC000000626092	553714445	/nfs/dbraw/zinc/71/44/45/553714445.db2.gz	QSWNEFHTPKDCPR-UHFFFAOYSA-N	-2	3	490.562	4.500	50	0		JIAAHL
Cc1ccccc1Nc1nc([N-]N=C2c3ccccc3NC2=O)nc([N-]c2ccc([N+](=O)[O-])cc2)n1	ZINC000008872631	554769263	/nfs/dbraw/zinc/76/92/63/554769263.db2.gz	UVTZITUZEUNNLF-UHFFFAOYSA-N	-2	3	481.476	4.344	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NC4CCC(C)CC4)c(=O)c3c2)cc1	ZINC000009680065	555407443	/nfs/dbraw/zinc/40/74/43/555407443.db2.gz	QWONBPRYZOAVGW-UHFFFAOYSA-N	-2	3	467.591	4.200	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NC4CCC(C)CC4)c([O-])c3c2)cc1	ZINC000009680065	555407447	/nfs/dbraw/zinc/40/74/47/555407447.db2.gz	QWONBPRYZOAVGW-UHFFFAOYSA-N	-2	3	467.591	4.200	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1	ZINC000089646980	569719409	/nfs/dbraw/zinc/71/94/09/569719409.db2.gz	JYJPJLYBYBBVIQ-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
COC(=O)C[C@@H](c1cc2ccccc2n(C)c1=O)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096113866	569733160	/nfs/dbraw/zinc/73/31/60/569733160.db2.gz	IJNKHBFXCYEXOW-SFHVURJKSA-N	-2	3	497.503	4.418	50	0	biogenic	JIAAHL
CN1CCN(C(=O)C[C@H](c2ccccc2)c2c([O-])cc([O-])c3c(=O)cc(-c4ccccc4)oc32)CC1	ZINC000096114586	569733681	/nfs/dbraw/zinc/73/36/81/569733681.db2.gz	GICSVNCSFDWENX-OAQYLSRUSA-N	-2	3	484.552	4.167	50	0	biogenic	JIAAHL
COC(=O)C[C@@H](c1cc2ccccc2n(C)c1=O)c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000096115932	569734949	/nfs/dbraw/zinc/73/49/49/569734949.db2.gz	SJFVAXFKSMYKKK-FQEVSTJZSA-N	-2	3	497.503	4.418	50	0	biogenic	JIAAHL
COC(=O)C[C@H]1c2c(nc3sccn32)Oc2cc([O-])c3c(=O)cc(-c4ccc([O-])cc4)oc3c21	ZINC000096222653	569739692	/nfs/dbraw/zinc/73/96/92/569739692.db2.gz	BTZMUWYGLNDBTR-CYBMUJFWSA-N	-2	3	476.466	4.381	50	0	biogenic	JIAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036355014	569771841	/nfs/dbraw/zinc/77/18/41/569771841.db2.gz	TYTGRVQOLJNXNS-MHZLTWQESA-N	-2	3	483.568	4.409	50	0		JIAAHL
COc1cc([C@H]2CC(c3c(=O)[n-]c(=S)n(C)c3[O-])=Nc3ccccc3S2)cc(OC)c1O	ZINC000101494885	569800004	/nfs/dbraw/zinc/80/00/04/569800004.db2.gz	ULEWOCMVOONZKP-QGZVFWFLSA-N	-2	3	471.560	4.229	50	0		JIAAHL
COC(=O)C[C@@H](c1ccc(OC)cc1)c1c([O-])c([C@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O	ZINC000253410000	570097524	/nfs/dbraw/zinc/09/75/24/570097524.db2.gz	MSKHVEPKWGDZGJ-UZTOHYMASA-N	-2	3	493.512	4.033	50	0		JIAAHL
COC(=O)C[C@@H](c1ccccc1)c1c([O-])c([C@@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O	ZINC000263585185	570170950	/nfs/dbraw/zinc/17/09/50/570170950.db2.gz	GAUWFPKJEUJOAU-QYBDOPJKSA-N	-2	3	463.486	4.024	50	0		JIAAHL
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(F)cc1	ZINC000001154889	194052496	/nfs/dbraw/zinc/05/24/96/194052496.db2.gz	UFMCZVGAYZEIDW-UHFFFAOYSA-N	-2	3	485.356	4.190	50	0		JIAAHL
CSc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCc4ccc(C)cc4)c(=O)c3c2)c1	ZINC000004647398	194393263	/nfs/dbraw/zinc/39/32/63/194393263.db2.gz	JSVIPJIAJZUYJC-UHFFFAOYSA-N	-2	3	493.610	4.289	50	0		JIAAHL
CSc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCc4ccc(C)cc4)c([O-])c3c2)c1	ZINC000004647398	194393265	/nfs/dbraw/zinc/39/32/65/194393265.db2.gz	JSVIPJIAJZUYJC-UHFFFAOYSA-N	-2	3	493.610	4.289	50	0		JIAAHL
CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccn4)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253031	519442945	/nfs/dbraw/zinc/44/29/45/519442945.db2.gz	BPTFNQBWMKSMFC-UHFFFAOYSA-N	-2	3	494.617	4.106	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCc4ccc(C)cc4)c(=O)c3c2)cc1	ZINC000008595125	523996078	/nfs/dbraw/zinc/99/60/78/523996078.db2.gz	GKCYFXLQWQRMBS-UHFFFAOYSA-N	-2	3	475.570	4.130	50	0	aggregator	JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCc4ccc(C)cc4)c([O-])c3c2)cc1	ZINC000008595125	523996081	/nfs/dbraw/zinc/99/60/81/523996081.db2.gz	GKCYFXLQWQRMBS-UHFFFAOYSA-N	-2	3	475.570	4.130	50	0	aggregator	JIAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c2c1	ZINC000006181464	525270882	/nfs/dbraw/zinc/27/08/82/525270882.db2.gz	XWMSIJUDDRVRAM-ULYRPOKDSA-N	-2	3	467.591	4.192	50	0		JIAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c([O-])c2c1	ZINC000006181464	525270895	/nfs/dbraw/zinc/27/08/95/525270895.db2.gz	XWMSIJUDDRVRAM-ULYRPOKDSA-N	-2	3	467.591	4.192	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000012525990	525605980	/nfs/dbraw/zinc/60/59/80/525605980.db2.gz	CDOQYGGRCCLQKO-UHFFFAOYSA-N	-2	3	454.932	4.389	50	0		JIAAHL
O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(O)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1	ZINC000016131009	527252767	/nfs/dbraw/zinc/25/27/67/527252767.db2.gz	VFVMZAKYLFEIJB-UHFFFAOYSA-N	-2	3	478.979	4.136	50	0		JIAAHL
Cc1nn(C)c(C)c1CCCN(C)c1ccc([N-]S(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-]	ZINC000033253701	527621179	/nfs/dbraw/zinc/62/11/79/527621179.db2.gz	ZLUPHMPYWPXIQR-UHFFFAOYSA-N	-2	3	484.622	4.222	50	0		JIAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1	ZINC000000628842	553716491	/nfs/dbraw/zinc/71/64/91/553716491.db2.gz	WDBAGDDNCMOKAL-UHFFFAOYSA-N	-2	3	466.968	4.340	50	0		JIAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1	ZINC000009338458	555106525	/nfs/dbraw/zinc/10/65/25/555106525.db2.gz	ZFSOSUYWELATFD-UHFFFAOYSA-N	-2	3	495.509	4.055	50	0		JIAAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(Cc3cccc(F)c3)CC2)c1	ZINC000032961997	569602649	/nfs/dbraw/zinc/60/26/49/569602649.db2.gz	YWPIIAMZLTUYFG-UHFFFAOYSA-N	-2	3	497.592	4.264	50	0		JIAAHL
CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2C(=O)[O-])CC1	ZINC000064580580	569620392	/nfs/dbraw/zinc/62/03/92/569620392.db2.gz	RANQJYBBRMZBEX-UHFFFAOYSA-N	-2	3	471.623	4.375	50	0		JIAAHL
COC(=O)C[C@H](c1ccc(OC)cc1)c1c([O-])c([C@@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O	ZINC000253410001	570097587	/nfs/dbraw/zinc/09/75/87/570097587.db2.gz	MSKHVEPKWGDZGJ-WINIVTDRSA-N	-2	3	493.512	4.033	50	0		JIAAHL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000001145676	194047534	/nfs/dbraw/zinc/04/75/34/194047534.db2.gz	RUFBLVXQVJFNFZ-UHFFFAOYSA-N	-2	3	494.978	4.021	50	0		JIAAHL
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccccc1	ZINC000001151025	194050780	/nfs/dbraw/zinc/05/07/80/194050780.db2.gz	QPLLXSATQKGMLN-UHFFFAOYSA-N	-2	3	467.366	4.051	50	0		JIAAHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Br)c1ccccc1Cl	ZINC000003316001	194278579	/nfs/dbraw/zinc/27/85/79/194278579.db2.gz	QDFGGPQJRVAZFT-CYBMUJFWSA-N	-2	3	497.592	4.359	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000012605376	195050818	/nfs/dbraw/zinc/05/08/18/195050818.db2.gz	RAIQRCWEVNSKJN-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2O)c(C)c1	ZINC000012605457	195051035	/nfs/dbraw/zinc/05/10/35/195051035.db2.gz	YUURASIOJVMXRG-UHFFFAOYSA-N	-2	3	466.968	4.264	50	0		JIAAHL
CCn1nc(C)c(CCN(C)c2ccc([N-]S(=O)(=O)c3cc(F)ccc3C)cc2C(=O)[O-])c1C	ZINC000033253793	523633364	/nfs/dbraw/zinc/63/33/64/523633364.db2.gz	LXHLZXBHWMMJTG-UHFFFAOYSA-N	-2	3	488.585	4.145	50	0		JIAAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4ccccc4F)CC3)c(C(=O)[O-])c2)c1	ZINC000033253236	524195178	/nfs/dbraw/zinc/19/51/78/524195178.db2.gz	SDPZWAZMYLTFGX-UHFFFAOYSA-N	-2	3	497.592	4.264	50	0		JIAAHL
Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1S(=O)(=O)[N-]c1ccccc1F	ZINC000016096510	525305180	/nfs/dbraw/zinc/30/51/80/525305180.db2.gz	JNTYFMVERGAHKB-UHFFFAOYSA-N	-2	3	499.383	4.498	50	0		JIAAHL
Cc1nn(C)c(C)c1CCCN(C)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-]	ZINC000033253696	527621251	/nfs/dbraw/zinc/62/12/51/527621251.db2.gz	LILDBTSHNIPAGQ-UHFFFAOYSA-N	-2	3	488.585	4.052	50	0		JIAAHL
Cc1c(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000008990280	554852046	/nfs/dbraw/zinc/85/20/46/554852046.db2.gz	NXGZXLUCFHNSJU-UHFFFAOYSA-N	-2	3	450.516	4.071	50	0		JIAAHL
Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1S(=O)(=O)[N-]c1ccccc1F	ZINC000009670147	555386306	/nfs/dbraw/zinc/38/63/06/555386306.db2.gz	RZHZCALUYGMARK-UHFFFAOYSA-N	-2	3	454.932	4.389	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N[C@H](C)c4ccccc4)c(=O)c3c2)cc1	ZINC000009680062	555407396	/nfs/dbraw/zinc/40/73/96/555407396.db2.gz	UBOVNIRIPNOHAU-QGZVFWFLSA-N	-2	3	475.570	4.382	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N[C@H](C)c4ccccc4)c([O-])c3c2)cc1	ZINC000009680062	555407399	/nfs/dbraw/zinc/40/73/99/555407399.db2.gz	UBOVNIRIPNOHAU-QGZVFWFLSA-N	-2	3	475.570	4.382	50	0		JIAAHL
O=C([O-])[C@H](Cc1c(I)cc([O-])cc1I)c1ccccc1	ZINC000013603166	555530666	/nfs/dbraw/zinc/53/06/66/555530666.db2.gz	FYNZSGDSRNVKAU-LLVKDONJSA-N	-2	3	494.066	4.012	50	0		JIAAHL
CCN(Cc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-]	ZINC000032962035	569602696	/nfs/dbraw/zinc/60/26/96/569602696.db2.gz	JNOYWSPRSRWQFA-UHFFFAOYSA-N	-2	3	452.532	4.415	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4F)CC3)cc2C(=O)[O-])cc1C	ZINC000033007001	569615186	/nfs/dbraw/zinc/61/51/86/569615186.db2.gz	WPVAHONVBPCMCN-UHFFFAOYSA-N	-2	3	483.565	4.268	50	0		JIAAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4ccccc4F)CC3)cc2C(=O)[O-])cc1	ZINC000063620114	569615686	/nfs/dbraw/zinc/61/56/86/569615686.db2.gz	ZLDGKPDORSVAMV-UHFFFAOYSA-N	-2	3	497.592	4.209	50	0		JIAAHL
Cc1cccc(N2CCN(c3ccc([N-]S(=O)(=O)c4cccc(F)c4)cc3C(=O)[O-])C[C@H]2C)c1	ZINC000033253540	569621896	/nfs/dbraw/zinc/62/18/96/569621896.db2.gz	RPHIJMYKBFFRJJ-GOSISDBHSA-N	-2	3	483.565	4.348	50	0		JIAAHL
COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096116393	569735284	/nfs/dbraw/zinc/73/52/84/569735284.db2.gz	MDUIGXDVWYRFLK-MRXNPFEDSA-N	-2	3	462.454	4.280	50	0	biogenic	JIAAHL
COC(=O)C[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000253623751	570105365	/nfs/dbraw/zinc/10/53/65/570105365.db2.gz	JSQGQHWUQBXRSI-IBGZPJMESA-N	-2	3	473.481	4.286	50	0		JIAAHL
COC(=O)C[C@@H](c1ccccc1OC)c1c([O-])c([C@@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O	ZINC000263584885	570170711	/nfs/dbraw/zinc/17/07/11/570170711.db2.gz	BUDKKUIGCPGGPJ-MYUZEXMDSA-N	-2	3	493.512	4.033	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1	ZINC000001145930	194047573	/nfs/dbraw/zinc/04/75/73/194047573.db2.gz	HSYFUXWYVUFKTB-UHFFFAOYSA-N	-2	3	460.577	4.222	50	0		JIAAHL
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000001166111	194057739	/nfs/dbraw/zinc/05/77/39/194057739.db2.gz	HHNXXONNYKPBGM-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1Cl	ZINC000002890778	194167648	/nfs/dbraw/zinc/16/76/48/194167648.db2.gz	PFZFWXGOVJLOLE-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)cc1	ZINC000012541690	556016258	/nfs/dbraw/zinc/01/62/58/556016258.db2.gz	HGJLPDBGPVLILT-UHFFFAOYSA-N	-2	3	486.493	4.316	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])cc1C	ZINC000033006993	569615047	/nfs/dbraw/zinc/61/50/47/569615047.db2.gz	QKIPEQKLKXCAFU-UHFFFAOYSA-N	-2	3	465.575	4.129	50	0		JIAAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4F)CC3)cc2C(=O)[O-])c1	ZINC000033006973	569615066	/nfs/dbraw/zinc/61/50/66/569615066.db2.gz	VTNDFSLYDNNFAZ-UHFFFAOYSA-N	-2	3	483.565	4.268	50	0		JIAAHL
CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(c3ccccc3F)CC2)cc1C(=O)[O-]	ZINC000033007079	569615227	/nfs/dbraw/zinc/61/52/27/569615227.db2.gz	ZULZNUPDZSLWSY-UHFFFAOYSA-N	-2	3	483.565	4.214	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000089614449	569719158	/nfs/dbraw/zinc/71/91/58/569719158.db2.gz	MZQCURYEAJHCMI-UHFFFAOYSA-N	-2	3	464.540	4.053	50	0		JIAAHL
COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000096115921	569734899	/nfs/dbraw/zinc/73/48/99/569734899.db2.gz	OCTAFJJWLKOAGP-GOSISDBHSA-N	-2	3	490.464	4.304	50	0	biogenic	JIAAHL
CC(=O)c1[n-]n(-c2c(Cl)cccc2Cl)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000100893503	569774506	/nfs/dbraw/zinc/77/45/06/569774506.db2.gz	SUIUJKYJRQBLAQ-QAPCUYQASA-N	-2	3	450.709	4.278	50	0		JIAAHL
CC(=O)c1[n-]n(-c2c(Cl)cccc2Cl)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000100893502	569774541	/nfs/dbraw/zinc/77/45/41/569774541.db2.gz	SUIUJKYJRQBLAQ-YJBOKZPZSA-N	-2	3	450.709	4.278	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1	ZINC000001152257	194051273	/nfs/dbraw/zinc/05/12/73/194051273.db2.gz	LTYMBGQQACPAJN-UHFFFAOYSA-N	-2	3	497.392	4.059	50	0		JIAAHL
O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1c([O-])[n-]c2ccccc2c1=O	ZINC000001514191	194127047	/nfs/dbraw/zinc/12/70/47/194127047.db2.gz	BKCPRNDEAUTZDA-UHFFFAOYSA-N	-2	3	463.287	4.480	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)n[nH]2)cc1	ZINC000003991770	194368155	/nfs/dbraw/zinc/36/81/55/194368155.db2.gz	PGWDLCAZQXIQIS-UHFFFAOYSA-N	-2	3	482.587	4.295	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)[nH]n2)cc1	ZINC000003991770	194368157	/nfs/dbraw/zinc/36/81/57/194368157.db2.gz	PGWDLCAZQXIQIS-UHFFFAOYSA-N	-2	3	482.587	4.295	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1	ZINC000012605379	195050845	/nfs/dbraw/zinc/05/08/45/195050845.db2.gz	RMWUMQRKAHJZDE-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4c(C)cc(C)cc4C)ccc3n2)CC1	ZINC000033256324	519860067	/nfs/dbraw/zinc/86/00/67/519860067.db2.gz	VWBPDBQAEDXJEB-UHFFFAOYSA-N	-2	3	496.633	4.191	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1	ZINC000022753292	524644226	/nfs/dbraw/zinc/64/42/26/524644226.db2.gz	QPYGAVIMMRHMOH-UHFFFAOYSA-N	-2	3	493.541	4.346	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4ccccc4F)CC3)c(C(=O)[O-])c2)cc1C	ZINC000033253238	525605928	/nfs/dbraw/zinc/60/59/28/525605928.db2.gz	CZTSZJCUIAXZPB-UHFFFAOYSA-N	-2	3	497.592	4.264	50	0		JIAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N1CCN(c2cccc(Cl)c2)CC1	ZINC000033252881	526352639	/nfs/dbraw/zinc/35/26/39/526352639.db2.gz	SIHQRKHTPYULRD-UHFFFAOYSA-N	-2	3	489.956	4.305	50	0		JIAAHL
O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[O-]	ZINC000009503282	555288188	/nfs/dbraw/zinc/28/81/88/555288188.db2.gz	SQANSVNAKAGFIT-UHFFFAOYSA-N	-2	3	480.329	4.077	50	0		JIAAHL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N3CCCCCC3)c(=O)c2c1	ZINC000020211938	555704907	/nfs/dbraw/zinc/70/49/07/555704907.db2.gz	QNKHBYMVGCYWJE-UHFFFAOYSA-N	-2	3	473.982	4.307	50	0		JIAAHL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N3CCCCCC3)c([O-])c2c1	ZINC000020211938	555704908	/nfs/dbraw/zinc/70/49/08/555704908.db2.gz	QNKHBYMVGCYWJE-UHFFFAOYSA-N	-2	3	473.982	4.307	50	0		JIAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000028914442	556344196	/nfs/dbraw/zinc/34/41/96/556344196.db2.gz	PNUGHQBLXCWFEI-UHFFFAOYSA-N	-2	3	454.932	4.389	50	0		JIAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N[C@@H](C)c3ccccc3)c(=O)c2c1	ZINC000006181453	562937118	/nfs/dbraw/zinc/93/71/18/562937118.db2.gz	PSAIVCLCBCIEGP-KRWDZBQOSA-N	-2	3	461.543	4.128	50	0		JIAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N[C@@H](C)c3ccccc3)c([O-])c2c1	ZINC000006181453	562937119	/nfs/dbraw/zinc/93/71/19/562937119.db2.gz	PSAIVCLCBCIEGP-KRWDZBQOSA-N	-2	3	461.543	4.128	50	0		JIAAHL
COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096114846	569733936	/nfs/dbraw/zinc/73/39/36/569733936.db2.gz	FNSJFCRPHHXGHA-INIZCTEOSA-N	-2	3	462.454	4.280	50	0	biogenic	JIAAHL
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096116061	569735158	/nfs/dbraw/zinc/73/51/58/569735158.db2.gz	WMHWHQVRDUMREO-KRWDZBQOSA-N	-3	3	460.438	4.264	50	0	biogenic	JIAAHL
COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096116394	569735317	/nfs/dbraw/zinc/73/53/17/569735317.db2.gz	MDUIGXDVWYRFLK-INIZCTEOSA-N	-2	3	462.454	4.280	50	0	biogenic	JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1	ZINC000001149427	194049818	/nfs/dbraw/zinc/04/98/18/194049818.db2.gz	BBVKBPKTHUCBRC-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1	ZINC000012623044	195057857	/nfs/dbraw/zinc/05/78/57/195057857.db2.gz	NGIAIMSFJOIDQI-UHFFFAOYSA-N	-2	3	499.585	4.144	50	0		JIAAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)c(C)c1	ZINC000033253082	524324819	/nfs/dbraw/zinc/32/48/19/524324819.db2.gz	VYGYZOQWXOLWNP-UHFFFAOYSA-N	-2	3	479.602	4.437	50	0		JIAAHL
Cc1cccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccccc4)cc3C(=O)[O-])C[C@@H]2C)c1	ZINC000033253536	524560398	/nfs/dbraw/zinc/56/03/98/524560398.db2.gz	PSZRWLGGOMICDQ-IBGZPJMESA-N	-2	3	465.575	4.209	50	0		JIAAHL
Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4cccc(Cl)c4)CC3)c(C(=O)[O-])c2)c1	ZINC000033252888	524806628	/nfs/dbraw/zinc/80/66/28/524806628.db2.gz	JBFCIVHTDLLHOD-UHFFFAOYSA-N	-2	3	485.993	4.474	50	0		JIAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N1CCN(c2ccccc2Cl)CC1	ZINC000033252931	526352209	/nfs/dbraw/zinc/35/22/09/526352209.db2.gz	OLVYWKRGZMWQGX-UHFFFAOYSA-N	-2	3	489.956	4.305	50	0		JIAAHL
Cc1nn(C)c(C)c1CCCN(C)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1C(=O)[O-]	ZINC000033253688	527621389	/nfs/dbraw/zinc/62/13/89/527621389.db2.gz	PLAIRLDSNBEJHD-UHFFFAOYSA-N	-2	3	484.622	4.222	50	0		JIAAHL
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccccc1	ZINC000001167689	553921009	/nfs/dbraw/zinc/92/10/09/553921009.db2.gz	SPEIGXBPZXILPC-UHFFFAOYSA-N	-2	3	456.467	4.307	50	0		JIAAHL
COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N(CC(C)C)CC(C)C)c(=O)c3c2)c1	ZINC000008813767	554696333	/nfs/dbraw/zinc/69/63/33/554696333.db2.gz	BKKMUPIIIMIKBX-UHFFFAOYSA-N	-2	3	485.606	4.092	50	0		JIAAHL
COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N(CC(C)C)CC(C)C)c([O-])c3c2)c1	ZINC000008813767	554696335	/nfs/dbraw/zinc/69/63/35/554696335.db2.gz	BKKMUPIIIMIKBX-UHFFFAOYSA-N	-2	3	485.606	4.092	50	0		JIAAHL
CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OC(=O)c1ccccc1F	ZINC000009109735	554898059	/nfs/dbraw/zinc/89/80/59/554898059.db2.gz	DNEACAGYDSGIQD-UHFFFAOYSA-N	-2	3	466.469	4.098	50	0		JIAAHL
O=C(NC(=S)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1CCCCC1	ZINC000009373631	555135714	/nfs/dbraw/zinc/13/57/14/555135714.db2.gz	ZHEKTSMMGLOJIM-UHFFFAOYSA-N	-2	3	468.000	4.240	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc2C)cc1	ZINC000012521144	555992380	/nfs/dbraw/zinc/99/23/80/555992380.db2.gz	BENBRVFIXQEPCC-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
Cc1c(C(=O)Nc2cccc(C)c2)sc2[n-]c(-c3cc4ccc([O-])cc4oc3=O)nc(=O)c12	ZINC000008588213	562941299	/nfs/dbraw/zinc/94/12/99/562941299.db2.gz	AHBXKUXNJSLOSD-UHFFFAOYSA-N	-2	3	459.483	4.333	50	0		JIAAHL
O=C(NC1CCCCC1)c1c[n-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2c1=O	ZINC000006181425	569588508	/nfs/dbraw/zinc/58/85/08/569588508.db2.gz	JSQBNGNXBHWUFB-UHFFFAOYSA-N	-2	3	493.507	4.410	50	0		JIAAHL
O=C(NC1CCCCC1)c1cnc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2c1[O-]	ZINC000006181425	569588509	/nfs/dbraw/zinc/58/85/09/569588509.db2.gz	JSQBNGNXBHWUFB-UHFFFAOYSA-N	-2	3	493.507	4.410	50	0		JIAAHL
CN1CCN(C(=O)C[C@H](c2ccsc2)c2c([O-])cc([O-])c3c(=O)cc(-c4ccccc4)oc32)CC1	ZINC000096114100	569733317	/nfs/dbraw/zinc/73/33/17/569733317.db2.gz	FVADBUOEIFFEPE-LJQANCHMSA-N	-2	3	490.581	4.229	50	0	biogenic	JIAAHL
COC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000096115741	569734736	/nfs/dbraw/zinc/73/47/36/569734736.db2.gz	RYZAKSZUAUZTFU-LJQANCHMSA-N	-2	3	483.476	4.408	50	0	biogenic	JIAAHL
CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)[O-])C1	ZINC000033253418	521121305	/nfs/dbraw/zinc/12/13/05/521121305.db2.gz	AVPSDCGWDYZQSA-QGZVFWFLSA-N	-2	3	488.606	4.263	50	0		JIAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4F)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253134	521212183	/nfs/dbraw/zinc/21/21/83/521212183.db2.gz	WNUUPGJBYXBABQ-UHFFFAOYSA-N	-2	3	499.564	4.050	50	0		JIAAHL
CCn1nc(C)c(CCN(C)c2ccc([N-]S(=O)(=O)c3ccccc3C)cc2C(=O)[O-])c1C	ZINC000033253791	523633334	/nfs/dbraw/zinc/63/33/34/523633334.db2.gz	IYENNSMNWQNMHV-UHFFFAOYSA-N	-2	3	470.595	4.006	50	0		JIAAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(N(C)CCc3c(C)noc3C)c(C(=O)[O-])c2)cc1	ZINC000033253775	524017126	/nfs/dbraw/zinc/01/71/26/524017126.db2.gz	OHUQLAWVAXAHPB-UHFFFAOYSA-N	-2	3	457.552	4.032	50	0		JIAAHL
Cc1ccc(C)c(N2CCN(c3ccc([N-]S(=O)(=O)c4ccccc4C)cc3C(=O)[O-])CC2)c1	ZINC000033253013	524127017	/nfs/dbraw/zinc/12/70/17/524127017.db2.gz	BVUZOOLXITYYTJ-UHFFFAOYSA-N	-2	3	479.602	4.437	50	0		JIAAHL
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NC4CCCCC4)c(=O)c3c2)c1	ZINC000008595174	524438626	/nfs/dbraw/zinc/43/86/26/524438626.db2.gz	FWAOBSZQOCGELR-UHFFFAOYSA-N	-2	3	453.564	4.008	50	0	aggregator	JIAAHL
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NC4CCCCC4)c([O-])c3c2)c1	ZINC000008595174	524438630	/nfs/dbraw/zinc/43/86/30/524438630.db2.gz	FWAOBSZQOCGELR-UHFFFAOYSA-N	-2	3	453.564	4.008	50	0	aggregator	JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)cc3)cc2)cc1	ZINC000002882847	524691036	/nfs/dbraw/zinc/69/10/36/524691036.db2.gz	QOLDEPVDHNGRAI-UHFFFAOYSA-N	-2	3	464.590	4.019	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4F)CC3)c(C(=O)[O-])c2)cc1C	ZINC000033253129	525606003	/nfs/dbraw/zinc/60/60/03/525606003.db2.gz	SDLDVTGHRQPVOO-UHFFFAOYSA-N	-2	3	483.565	4.268	50	0		JIAAHL
O=C1[N-]C(=O)C(=CNc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c2ccccc21	ZINC000016719017	527046440	/nfs/dbraw/zinc/04/64/40/527046440.db2.gz	FKIMEYIPRRUDRH-DEDYPNTBSA-N	-2	3	487.459	4.229	50	0		JIAAHL
COc1c2c(cc3c1[C@@H](c1c(=O)[n-]c(=S)n(-c4cccc5ccccc54)c1[O-])N(C)CC3)OCO2	ZINC000002120159	554055325	/nfs/dbraw/zinc/05/53/25/554055325.db2.gz	VNMLFDCWKREWBR-NRFANRHFSA-N	-2	3	489.553	4.068	50	0	biogenic	JIAAHL
Cc1ccc([N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc2C)c(C)c1	ZINC000009444375	555217623	/nfs/dbraw/zinc/21/76/23/555217623.db2.gz	UGKJZNPQTJNSTC-UHFFFAOYSA-N	-2	3	466.531	4.492	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)ccc1C	ZINC000009714970	555445627	/nfs/dbraw/zinc/44/56/27/555445627.db2.gz	BROKIKOROZQCGQ-UHFFFAOYSA-N	-2	3	460.577	4.222	50	0		JIAAHL
Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)c(C)s1	ZINC000032532395	556444195	/nfs/dbraw/zinc/44/41/95/556444195.db2.gz	YZOOMXQDLCPWCT-UHFFFAOYSA-N	-2	3	454.570	4.414	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(=O)Cc3nc(-c4cccs4)oc3C)c2)cc1	ZINC000032753598	556486165	/nfs/dbraw/zinc/48/61/65/556486165.db2.gz	UPNZYLVZEMIDLD-UHFFFAOYSA-N	-2	3	499.570	4.408	50	0		JIAAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(-c4cc(=O)[n-]c(C)n4)cc3)cc2)c1	ZINC000032933240	556548891	/nfs/dbraw/zinc/54/88/91/556548891.db2.gz	VTHGBFSZGBIXJT-UHFFFAOYSA-N	-2	3	488.569	4.415	50	0		JIAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N[C@H](C)c3ccccc3)c(=O)c2c1	ZINC000006181454	562937012	/nfs/dbraw/zinc/93/70/12/562937012.db2.gz	PSAIVCLCBCIEGP-QGZVFWFLSA-N	-2	3	461.543	4.128	50	0		JIAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N[C@H](C)c3ccccc3)c([O-])c2c1	ZINC000006181454	562937014	/nfs/dbraw/zinc/93/70/14/562937014.db2.gz	PSAIVCLCBCIEGP-QGZVFWFLSA-N	-2	3	461.543	4.128	50	0		JIAAHL
Cc1ccc(CCNC(=O)c2c[n-]c3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3c2=O)cc1	ZINC000006181535	569588783	/nfs/dbraw/zinc/58/87/83/569588783.db2.gz	NAWVECLQWIKTAQ-UHFFFAOYSA-N	-2	3	489.597	4.227	50	0		JIAAHL
Cc1ccc(CCNC(=O)c2cnc3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3c2[O-])cc1	ZINC000006181535	569588784	/nfs/dbraw/zinc/58/87/84/569588784.db2.gz	NAWVECLQWIKTAQ-UHFFFAOYSA-N	-2	3	489.597	4.227	50	0		JIAAHL
CCOc1ccccc1N1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)CC1	ZINC000033006886	569615010	/nfs/dbraw/zinc/61/50/10/569615010.db2.gz	XAXWPTWCDUNVQO-UHFFFAOYSA-N	-2	3	499.564	4.050	50	0		JIAAHL
Cc1cccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccccc4)c(C(=O)[O-])c3)CC2)c1C	ZINC000033006906	569615039	/nfs/dbraw/zinc/61/50/39/569615039.db2.gz	WSHOKKFIODHWIU-UHFFFAOYSA-N	-2	3	465.575	4.129	50	0		JIAAHL
CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(c3cccc(C)c3)CC2)cc1C(=O)[O-]	ZINC000033007083	569615174	/nfs/dbraw/zinc/61/51/74/569615174.db2.gz	VNCLXPNOCGSYTQ-UHFFFAOYSA-N	-2	3	479.602	4.383	50	0		JIAAHL
Cc1cccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccccc4)cc3C(=O)[O-])C[C@H]2C)c1	ZINC000033253535	569621909	/nfs/dbraw/zinc/62/19/09/569621909.db2.gz	PSZRWLGGOMICDQ-LJQANCHMSA-N	-2	3	465.575	4.209	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000089639166	569719267	/nfs/dbraw/zinc/71/92/67/569719267.db2.gz	JBBSFQFDPCKCIO-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc3ccc([O-])cc3oc2=O)cc1	ZINC000095471152	569723436	/nfs/dbraw/zinc/72/34/36/569723436.db2.gz	NMRZVFBQRVTXMA-UHFFFAOYSA-N	-2	3	464.499	4.169	50	0		JIAAHL
COC(=O)C[C@H](c1cc2ccccc2n(C)c1=O)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096113865	569733018	/nfs/dbraw/zinc/73/30/18/569733018.db2.gz	IJNKHBFXCYEXOW-GOSISDBHSA-N	-2	3	497.503	4.418	50	0	biogenic	JIAAHL
COC(=O)C[C@H](c1ccc(C(=O)OC)cc1)c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000096115243	569734209	/nfs/dbraw/zinc/73/42/09/569734209.db2.gz	ZWJIOJFGBCWQOP-HXUWFJFHSA-N	-2	3	474.465	4.353	50	0	biogenic	JIAAHL
Cn1nccc1[C@H](CC(=O)N1CCCCC1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000253399607	570096378	/nfs/dbraw/zinc/09/63/78/570096378.db2.gz	DCYYTTSXDMDJKG-SFHVURJKSA-N	-2	3	473.529	4.139	50	0		JIAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1Cl	ZINC000001115617	194029675	/nfs/dbraw/zinc/02/96/75/194029675.db2.gz	TZWCYSMSHLJVRW-UHFFFAOYSA-N	-2	3	454.932	4.389	50	0		JIAAHL
Cc1noc(C)c1CCN(C)c1ccc([N-]S(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-]	ZINC000021533872	195310670	/nfs/dbraw/zinc/31/06/70/195310670.db2.gz	NCFYTAWCJLLPHU-UHFFFAOYSA-N	-2	3	457.552	4.086	50	0		JIAAHL
CC(C)CCNC(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc2c1=O	ZINC000006181472	519662059	/nfs/dbraw/zinc/66/20/59/519662059.db2.gz	KUTBHFIDIQRAJB-UHFFFAOYSA-N	-2	3	455.580	4.228	50	0		JIAAHL
CC(C)CCNC(=O)c1cnc2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc2c1[O-]	ZINC000006181472	519662062	/nfs/dbraw/zinc/66/20/62/519662062.db2.gz	KUTBHFIDIQRAJB-UHFFFAOYSA-N	-2	3	455.580	4.228	50	0		JIAAHL
CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2C(=O)[O-])C1	ZINC000033253400	521120372	/nfs/dbraw/zinc/12/03/72/521120372.db2.gz	YHJPUGZPCSLYNS-LJQANCHMSA-N	-2	3	488.606	4.164	50	0		JIAAHL
CCn1nc(C)c(CCN(C)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2C(=O)[O-])c1C	ZINC000033253783	523633501	/nfs/dbraw/zinc/63/35/01/523633501.db2.gz	PSVQVSMMPPICKA-UHFFFAOYSA-N	-2	3	470.595	4.006	50	0		JIAAHL
COc1ccccc1N1CCN(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2C(=O)[O-])CC1	ZINC000033253073	524564077	/nfs/dbraw/zinc/56/40/77/524564077.db2.gz	LQJKZKKQSJMVBX-UHFFFAOYSA-N	-2	3	495.601	4.138	50	0		JIAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1N1CCN(c2ccccc2)CC1	ZINC000033253091	526352646	/nfs/dbraw/zinc/35/26/46/526352646.db2.gz	XJFJRSPPOHHINW-UHFFFAOYSA-N	-2	3	491.613	4.391	50	0		JIAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)cc1	ZINC000000628876	553716457	/nfs/dbraw/zinc/71/64/57/553716457.db2.gz	SXLHCXLXLKDCFY-UHFFFAOYSA-N	-2	3	476.576	4.004	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1Br	ZINC000001150222	553916687	/nfs/dbraw/zinc/91/66/87/553916687.db2.gz	XYKDKZUGIQFLQX-UHFFFAOYSA-N	-2	3	497.392	4.059	50	0		JIAAHL
O=c1[n-]c(=S)n(-c2ccc(Br)cc2)c([O-])c1[C@@H]1NCCc2c3ccccc3[nH]c21	ZINC000002107401	554047256	/nfs/dbraw/zinc/04/72/56/554047256.db2.gz	MKZZRQXNVHYRSF-SFHVURJKSA-N	-2	3	469.364	4.080	50	0	biogenic	JIAAHL
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)cc3)cc2)c1	ZINC000002873948	554397161	/nfs/dbraw/zinc/39/71/61/554397161.db2.gz	NJUOFWCWXMBGKU-UHFFFAOYSA-N	-2	3	494.616	4.027	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1Cl	ZINC000002883166	554404899	/nfs/dbraw/zinc/40/48/99/554404899.db2.gz	CDDVVPAMZPPEQE-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OC(=O)c1ccccc1C	ZINC000009014887	554865556	/nfs/dbraw/zinc/86/55/56/554865556.db2.gz	RRDJKEPPBZUBTE-UHFFFAOYSA-N	-2	3	462.506	4.267	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N[C@@H]4CCCC[C@H]4C)c(=O)c3c2)cc1	ZINC000009680072	555407171	/nfs/dbraw/zinc/40/71/71/555407171.db2.gz	AVJSZJQBVBTSDI-OPAMFIHVSA-N	-2	3	467.591	4.200	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N[C@@H]4CCCC[C@H]4C)c([O-])c3c2)cc1	ZINC000009680072	555407174	/nfs/dbraw/zinc/40/71/74/555407174.db2.gz	AVJSZJQBVBTSDI-OPAMFIHVSA-N	-2	3	467.591	4.200	50	0		JIAAHL
CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OC(=O)c1cccc(C)c1	ZINC000020066255	555625616	/nfs/dbraw/zinc/62/56/16/555625616.db2.gz	VQOKDYZWNZFPGT-UHFFFAOYSA-N	-2	3	462.506	4.267	50	0		JIAAHL
O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000033006926	569615008	/nfs/dbraw/zinc/61/50/08/569615008.db2.gz	TVRSBFKTKXIGDJ-UHFFFAOYSA-N	-2	3	489.956	4.305	50	0		JIAAHL
CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)c(C(=O)[O-])c2)C1	ZINC000033007291	569615357	/nfs/dbraw/zinc/61/53/57/569615357.db2.gz	NCGKJELTEDOLJG-SFHVURJKSA-N	-2	3	474.579	4.089	50	0		JIAAHL
COC(=O)C[C@@H](c1cc2ccccc2[nH]c1=O)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096116047	569735177	/nfs/dbraw/zinc/73/51/77/569735177.db2.gz	TUJUSBIXUUGVQK-KRWDZBQOSA-N	-2	3	483.476	4.408	50	0	biogenic	JIAAHL
COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)ccc1OCC(=O)[O-]	ZINC000096116266	569735340	/nfs/dbraw/zinc/73/53/40/569735340.db2.gz	GGDNIJLHUSJKEP-INIZCTEOSA-N	-2	3	488.448	4.079	50	0	biogenic	JIAAHL
COC(=O)C[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1c([O-])ccc(C(=O)c2ccccc2)c1[O-]	ZINC000253623808	570105343	/nfs/dbraw/zinc/10/53/43/570105343.db2.gz	MWHUCTSXWJRCNZ-KRWDZBQOSA-N	-2	3	487.464	4.006	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3cc(C)ccc3C)c2)cc1	ZINC000012605258	195050660	/nfs/dbraw/zinc/05/06/60/195050660.db2.gz	KZRYUJAGCSSZLJ-UHFFFAOYSA-N	-2	3	460.577	4.222	50	0		JIAAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(C3CCCCC3)CC2)c1	ZINC000058009436	195362115	/nfs/dbraw/zinc/36/21/15/195362115.db2.gz	KQXLWQATJLFFMO-UHFFFAOYSA-N	-2	3	471.623	4.257	50	0		JIAAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4cccc(F)c4)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253226	524017002	/nfs/dbraw/zinc/01/70/02/524017002.db2.gz	ZUPNVUPIUMZTMS-UHFFFAOYSA-N	-2	3	497.592	4.209	50	0		JIAAHL
Cc1ccc(C)c(N2CCN(c3ccc([N-]S(=O)(=O)c4cccc(F)c4)cc3C(=O)[O-])CC2)c1	ZINC000033253012	524128414	/nfs/dbraw/zinc/12/84/14/524128414.db2.gz	KCHTVEJXDHOWBR-UHFFFAOYSA-N	-2	3	483.565	4.268	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1Cl	ZINC000033253467	525083933	/nfs/dbraw/zinc/08/39/33/525083933.db2.gz	NJHQHXSZMWLGRS-UHFFFAOYSA-N	-2	3	460.939	4.484	50	0		JIAAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OC(=O)c2cccc(Br)c2)cc1	ZINC000008395923	554570607	/nfs/dbraw/zinc/57/06/07/554570607.db2.gz	SYQDVJNJSKDIHL-UHFFFAOYSA-N	-2	3	483.322	4.323	50	0		JIAAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OC(=O)c2ccccc2Br)cc1	ZINC000009109358	554897748	/nfs/dbraw/zinc/89/77/48/554897748.db2.gz	VTSGKUDQUGVPEP-UHFFFAOYSA-N	-2	3	483.322	4.323	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2C)cc1	ZINC000009510261	555299498	/nfs/dbraw/zinc/29/94/98/555299498.db2.gz	OGDRLZDOYPESEZ-UHFFFAOYSA-N	-2	3	466.968	4.259	50	0		JIAAHL
CCOc1ccc([N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2C)cc1	ZINC000009546198	555340654	/nfs/dbraw/zinc/34/06/54/555340654.db2.gz	CJJDORQOAVOQIH-UHFFFAOYSA-N	-2	3	452.579	4.057	50	0		JIAAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4F)CC3)c(C(=O)[O-])c2)c1	ZINC000032961656	556578785	/nfs/dbraw/zinc/57/87/85/556578785.db2.gz	ASBJVBUWLHGDTR-UHFFFAOYSA-N	-2	3	483.565	4.268	50	0		JIAAHL
Cc1ccc(CCNC(=O)c2c[n-]c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3c2=O)cc1	ZINC000006181432	562937072	/nfs/dbraw/zinc/93/70/72/562937072.db2.gz	MACGOBJFHRAXCH-UHFFFAOYSA-N	-2	3	489.597	4.227	50	0	aggregator	JIAAHL
Cc1ccc(CCNC(=O)c2cnc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3c2[O-])cc1	ZINC000006181432	562937073	/nfs/dbraw/zinc/93/70/73/562937073.db2.gz	MACGOBJFHRAXCH-UHFFFAOYSA-N	-2	3	489.597	4.227	50	0	aggregator	JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4cccc(C)c4C)CC3)cc2C(=O)[O-])cc1	ZINC000033006896	569615017	/nfs/dbraw/zinc/61/50/17/569615017.db2.gz	AXWQUISCHFUBRK-UHFFFAOYSA-N	-2	3	495.601	4.138	50	0		JIAAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4F)CC3)cc2C(=O)[O-])cc1	ZINC000033007021	569615178	/nfs/dbraw/zinc/61/51/78/569615178.db2.gz	PWWJXSCWZHQYCP-UHFFFAOYSA-N	-2	3	483.565	4.214	50	0		JIAAHL
O=C([O-])COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21	ZINC000096115840	569734844	/nfs/dbraw/zinc/73/48/44/569734844.db2.gz	PHJYUYUNZSBNCV-MRXNPFEDSA-N	-2	3	458.422	4.070	50	0	biogenic	JIAAHL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc21	ZINC000036365879	569772907	/nfs/dbraw/zinc/77/29/07/569772907.db2.gz	LBQYECQTSSRCLY-NDEPHWFRSA-N	-2	3	483.568	4.259	50	0		JIAAHL
COC(=O)C[C@@H](c1ccccc1)c1c([O-])c([C@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O	ZINC000263585184	570170966	/nfs/dbraw/zinc/17/09/66/570170966.db2.gz	GAUWFPKJEUJOAU-HFJWLAOPSA-N	-2	3	463.486	4.024	50	0		JIAAHL
Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)c1	ZINC000001146981	194048353	/nfs/dbraw/zinc/04/83/53/194048353.db2.gz	LGDBJTSWZCWZDS-UHFFFAOYSA-N	-2	3	481.393	4.359	50	0		JIAAHL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1	ZINC000001138954	194043617	/nfs/dbraw/zinc/04/36/17/194043617.db2.gz	NVQVQUKZQXMVAR-UHFFFAOYSA-N	-2	3	493.994	4.208	50	0		JIAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1Cl	ZINC000001138847	194043633	/nfs/dbraw/zinc/04/36/33/194043633.db2.gz	NJTOWZYFOZSLHT-UHFFFAOYSA-N	-2	3	494.978	4.021	50	0		JIAAHL
O=S(=O)([N-]c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1	ZINC000012604682	195049934	/nfs/dbraw/zinc/04/99/34/195049934.db2.gz	QJYIXSZABBZDCX-UHFFFAOYSA-N	-2	3	472.466	4.187	50	0		JIAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1ccccc1F	ZINC000012605174	195050717	/nfs/dbraw/zinc/05/07/17/195050717.db2.gz	SSJUHFXHLDTBOL-UHFFFAOYSA-N	-2	3	454.932	4.389	50	0		JIAAHL
COC(=O)c1cc(Br)ccc1-c1ccc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)o1	ZINC000016226212	521797038	/nfs/dbraw/zinc/79/70/38/521797038.db2.gz	IGIKWQKTHALDIL-UHFFFAOYSA-N	-2	3	487.310	4.150	50	0		JIAAHL
CCn1nc(C)c(CCN(C)c2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2C(=O)[O-])c1C	ZINC000033253797	523633612	/nfs/dbraw/zinc/63/36/12/523633612.db2.gz	CNLHNACFVHRJMY-UHFFFAOYSA-N	-2	3	470.595	4.006	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4cccc(C)c4C)CC3)c(C(=O)[O-])c2)cc1	ZINC000033252997	525084431	/nfs/dbraw/zinc/08/44/31/525084431.db2.gz	ZBDWUOWLXYUOFC-UHFFFAOYSA-N	-2	3	495.601	4.138	50	0		JIAAHL
O=S(=O)([N-]c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)c1ccc(F)cc1	ZINC000016153227	527253046	/nfs/dbraw/zinc/25/30/46/527253046.db2.gz	JKNQBHGELYPFON-UHFFFAOYSA-N	-2	3	485.356	4.190	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)cc1	ZINC000009444231	555217217	/nfs/dbraw/zinc/21/72/17/555217217.db2.gz	DITDJDQODFIKRF-UHFFFAOYSA-N	-2	3	497.392	4.059	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(=O)c3c(C)nn(CC(C)C)c3Cl)c2)cc1	ZINC000029689032	556355150	/nfs/dbraw/zinc/35/51/50/556355150.db2.gz	LRZCIGJFKAGZKJ-UHFFFAOYSA-N	-2	3	492.985	4.268	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2csc3c2CCCC3)c1	ZINC000032735934	556477606	/nfs/dbraw/zinc/47/76/06/556477606.db2.gz	IBODEBOYCVVMCW-UHFFFAOYSA-N	-2	3	458.561	4.394	50	0		JIAAHL
CC(=O)c1ccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccccc4C)cc3C(=O)[O-])CC2)cc1	ZINC000032961581	556578124	/nfs/dbraw/zinc/57/81/24/556578124.db2.gz	QKOOKISMESYPBT-UHFFFAOYSA-N	-2	3	493.585	4.023	50	0		JIAAHL
Cc1noc(C)c1CCN(C)c1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-]	ZINC000032971075	569603603	/nfs/dbraw/zinc/60/36/03/569603603.db2.gz	CBZHMBDVLRWNIZ-UHFFFAOYSA-N	-2	3	471.579	4.395	50	0		JIAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4cccc(C)c4)CC3)cc2C(=O)[O-])cc1	ZINC000033007057	569615225	/nfs/dbraw/zinc/61/52/25/569615225.db2.gz	HYXWGXJWBMTLOC-UHFFFAOYSA-N	-2	3	495.601	4.219	50	0		JIAAHL
CCOc1ccccc1N1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3C)c(C(=O)[O-])c2)CC1	ZINC000033007043	569615265	/nfs/dbraw/zinc/61/52/65/569615265.db2.gz	BZDVEIRCUNHMEX-UHFFFAOYSA-N	-2	3	495.601	4.219	50	0		JIAAHL
CC(C)C[C@@H](CC(=O)N1CCOCC1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096221628	569738948	/nfs/dbraw/zinc/73/89/48/569738948.db2.gz	AEAYXNBJHMUIGC-SFHVURJKSA-N	-2	3	451.519	4.250	50	0	biogenic	JIAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036355016	569771851	/nfs/dbraw/zinc/77/18/51/569771851.db2.gz	TYTGRVQOLJNXNS-HHHXNRCGSA-N	-2	3	483.568	4.409	50	0		JIAAHL
CC(=O)c1[n-]n(-c2c(Cl)cccc2Cl)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000100893505	569774535	/nfs/dbraw/zinc/77/45/35/569774535.db2.gz	SUIUJKYJRQBLAQ-MAUKXSAKSA-N	-2	3	450.709	4.278	50	0		JIAAHL
COc1cc([C@@H]2CC(c3c(=O)[n-]c(=S)n(C)c3[O-])=Nc3ccccc3S2)cc(OC)c1O	ZINC000101494882	569800058	/nfs/dbraw/zinc/80/00/58/569800058.db2.gz	ULEWOCMVOONZKP-KRWDZBQOSA-N	-2	3	471.560	4.229	50	0		JIAAHL
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1)c1cccc(Cl)c1	ZINC000001044979	194008703	/nfs/dbraw/zinc/00/87/03/194008703.db2.gz	KKYAUPTZHTUNBB-UHFFFAOYSA-N	-2	3	458.895	4.220	50	0		JIAAHL
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccn4)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253040	519046186	/nfs/dbraw/zinc/04/61/86/519046186.db2.gz	ZMDDQZXNOUCFJT-UHFFFAOYSA-N	-2	3	494.617	4.205	50	0		JIAAHL
CC(C)c1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NC4CCCC4)c(=O)c3c2)cc1	ZINC000008595194	519837892	/nfs/dbraw/zinc/83/78/92/519837892.db2.gz	VQNILMNPESOFBO-UHFFFAOYSA-N	-2	3	453.564	4.125	50	0	aggregator	JIAAHL
CC(C)c1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NC4CCCC4)c([O-])c3c2)cc1	ZINC000008595194	519837893	/nfs/dbraw/zinc/83/78/93/519837893.db2.gz	VQNILMNPESOFBO-UHFFFAOYSA-N	-2	3	453.564	4.125	50	0	aggregator	JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCCc4ccc(C)cc4)c(=O)c3c2)cc1	ZINC000006181495	523995973	/nfs/dbraw/zinc/99/59/73/523995973.db2.gz	AMMLLMMTMWHKFU-UHFFFAOYSA-N	-2	3	489.597	4.172	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCCc4ccc(C)cc4)c([O-])c3c2)cc1	ZINC000006181495	523995978	/nfs/dbraw/zinc/99/59/78/523995978.db2.gz	AMMLLMMTMWHKFU-UHFFFAOYSA-N	-2	3	489.597	4.172	50	0		JIAAHL
Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)c1	ZINC000033253107	524456646	/nfs/dbraw/zinc/45/66/46/524456646.db2.gz	YXUQPAUSTFHCIV-UHFFFAOYSA-N	-2	3	465.575	4.129	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)cc1C	ZINC000033253051	525606545	/nfs/dbraw/zinc/60/65/45/525606545.db2.gz	IAIAIVAZZUSBKB-UHFFFAOYSA-N	-2	3	483.565	4.268	50	0		JIAAHL
Cc1nn(C)c(C)c1CCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-]	ZINC000033253689	527621491	/nfs/dbraw/zinc/62/14/91/527621491.db2.gz	SHYNUUXVAKMFGE-UHFFFAOYSA-N	-2	3	484.622	4.222	50	0		JIAAHL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1	ZINC000000916190	553846732	/nfs/dbraw/zinc/84/67/32/553846732.db2.gz	JVWGCAWYTNPVGT-UHFFFAOYSA-N	-2	3	495.582	4.400	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N[C@@H]4CCCC[C@@H]4C)c(=O)c3c2)cc1	ZINC000009680067	555407343	/nfs/dbraw/zinc/40/73/43/555407343.db2.gz	AVJSZJQBVBTSDI-KSFYIVLOSA-N	-2	3	467.591	4.200	50	0		JIAAHL
CCc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N[C@@H]4CCCC[C@@H]4C)c([O-])c3c2)cc1	ZINC000009680067	555407347	/nfs/dbraw/zinc/40/73/47/555407347.db2.gz	AVJSZJQBVBTSDI-KSFYIVLOSA-N	-2	3	467.591	4.200	50	0		JIAAHL
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCc5ccccc54)c(=O)c3c2)c1	ZINC000009680161	555407801	/nfs/dbraw/zinc/40/78/01/555407801.db2.gz	HAXCEVMKABGSRZ-UHFFFAOYSA-N	-2	3	473.554	4.149	50	0		JIAAHL
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N4CCc5ccccc54)c([O-])c3c2)c1	ZINC000009680161	555407805	/nfs/dbraw/zinc/40/78/05/555407805.db2.gz	HAXCEVMKABGSRZ-UHFFFAOYSA-N	-2	3	473.554	4.149	50	0		JIAAHL
O=C(Nc1ncccc1[O-])c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1	ZINC000022264516	555906346	/nfs/dbraw/zinc/90/63/46/555906346.db2.gz	WUDKCFUZELYBSP-UHFFFAOYSA-N	-2	3	451.476	4.155	50	0		JIAAHL
O=C([N-]c1ccc(Cl)c(Cl)c1)c1no[n+]([O-])c1C(=O)[N-]c1ccc(Cl)c(Cl)c1	ZINC000012428537	555979939	/nfs/dbraw/zinc/97/99/39/555979939.db2.gz	UDWFFOJRMQWRMM-UHFFFAOYSA-N	-2	3	462.076	4.426	50	0		JIAAHL
O=C(Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-])c1cnn(-c2ccccc2)c1	ZINC000029698490	556355722	/nfs/dbraw/zinc/35/57/22/556355722.db2.gz	IENAOQIGVFTLGA-UHFFFAOYSA-N	-2	3	468.922	4.284	50	0		JIAAHL
O=C(C[C@H](c1ccccc1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1	ZINC000096114169	569733297	/nfs/dbraw/zinc/73/32/97/569733297.db2.gz	HKINTJMYLSJRRE-HXUWFJFHSA-N	-2	3	471.509	4.252	50	0	biogenic	JIAAHL
COC(=O)C[C@@H](c1ccc(C(=O)OC)cc1)c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000096115242	569734166	/nfs/dbraw/zinc/73/41/66/569734166.db2.gz	ZWJIOJFGBCWQOP-FQEVSTJZSA-N	-2	3	474.465	4.353	50	0	biogenic	JIAAHL
COC(=O)C[C@@H](c1cc2ccccc2[nH]c1=O)c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000096115740	569734639	/nfs/dbraw/zinc/73/46/39/569734639.db2.gz	RYZAKSZUAUZTFU-IBGZPJMESA-N	-2	3	483.476	4.408	50	0	biogenic	JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1	ZINC000001051625	194010421	/nfs/dbraw/zinc/01/04/21/194010421.db2.gz	BNSZEAUWRGWEPJ-UHFFFAOYSA-N	-2	3	468.556	4.450	50	0		JIAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1	ZINC000001115832	194029971	/nfs/dbraw/zinc/02/99/71/194029971.db2.gz	CLXTXYJIPNHCQQ-UHFFFAOYSA-N	-2	3	481.393	4.359	50	0		JIAAHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Br)c1ccccc1Cl	ZINC000003316003	194278484	/nfs/dbraw/zinc/27/84/84/194278484.db2.gz	QDFGGPQJRVAZFT-ZDUSSCGKSA-N	-2	3	497.592	4.359	50	0		JIAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253057	521212155	/nfs/dbraw/zinc/21/21/55/521212155.db2.gz	MFYNIUFLEXWADB-UHFFFAOYSA-N	-2	3	499.564	4.050	50	0		JIAAHL
CCCn1nc(C)cc1CN(C)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-]	ZINC000033253813	521669028	/nfs/dbraw/zinc/66/90/28/521669028.db2.gz	QLEBTQLVDAPESE-UHFFFAOYSA-N	-2	3	474.558	4.184	50	0		JIAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c2c1	ZINC000006181462	525271826	/nfs/dbraw/zinc/27/18/26/525271826.db2.gz	XWMSIJUDDRVRAM-GIMINZRKSA-N	-2	3	467.591	4.192	50	0		JIAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c([O-])c2c1	ZINC000006181462	525271834	/nfs/dbraw/zinc/27/18/34/525271834.db2.gz	XWMSIJUDDRVRAM-GIMINZRKSA-N	-2	3	467.591	4.192	50	0		JIAAHL
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000001112354	553909477	/nfs/dbraw/zinc/90/94/77/553909477.db2.gz	MEJFPWDMQQOTSI-UHFFFAOYSA-N	-2	3	454.932	4.389	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)s3)c2)cc1	ZINC000009612441	555445508	/nfs/dbraw/zinc/44/55/08/555445508.db2.gz	RVYYAQWLOZFHRO-UHFFFAOYSA-N	-2	3	472.997	4.320	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000020275069	555749770	/nfs/dbraw/zinc/74/97/70/555749770.db2.gz	QPKAAIXFWKQURY-UHFFFAOYSA-N	-2	3	468.556	4.450	50	0		JIAAHL
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000032111908	556420845	/nfs/dbraw/zinc/42/08/45/556420845.db2.gz	XIMVGVBZEUMAIH-UHFFFAOYSA-N	-2	3	494.978	4.021	50	0		JIAAHL
COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000096115922	569734896	/nfs/dbraw/zinc/73/48/96/569734896.db2.gz	OCTAFJJWLKOAGP-SFHVURJKSA-N	-2	3	490.464	4.304	50	0	biogenic	JIAAHL
COC(=O)C[C@@H](c1ccccc1F)c1c([O-])c([C@H]2OCc3cnc(C)c([O-])c32)cc(C(C)=O)c1O	ZINC000263587869	570172299	/nfs/dbraw/zinc/17/22/99/570172299.db2.gz	MCVKXNSBPPMUAG-MRDQGFSESA-N	-2	3	481.476	4.163	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)c(OC)c1	ZINC000001072647	194016508	/nfs/dbraw/zinc/01/65/08/194016508.db2.gz	XITAMEOWQDICAL-UHFFFAOYSA-N	-2	3	498.582	4.459	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1	ZINC000001166472	194057889	/nfs/dbraw/zinc/05/78/89/194057889.db2.gz	MPGWXOXGNQOWTM-UHFFFAOYSA-N	-2	3	486.493	4.316	50	0		JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1OC	ZINC000001152785	194051664	/nfs/dbraw/zinc/05/16/64/194051664.db2.gz	XKTDINNUODEYBQ-UHFFFAOYSA-N	-2	3	496.994	4.267	50	0		JIAAHL
O=S(=O)([N-]c1ccccc1)c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1	ZINC000003419308	194318140	/nfs/dbraw/zinc/31/81/40/194318140.db2.gz	BWRREMANESDCQV-UHFFFAOYSA-N	-2	3	467.366	4.051	50	0		JIAAHL
CCCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2C(=O)[O-])CC1	ZINC000058009145	195361872	/nfs/dbraw/zinc/36/18/72/195361872.db2.gz	DLBINYWLPVYGOS-UHFFFAOYSA-N	-2	3	472.394	4.024	50	0		JIAAHL
O=C1[N-][C@]([N-]c2nc3ccc(OC(F)(F)F)cc3s2)(C(F)(F)F)C(=O)N1Cc1cccnc1	ZINC000096231152	130000248	/nfs/dbraw/zinc/00/02/48/130000248.db2.gz	UQCINMYGRCYZLV-INIZCTEOSA-N	-2	3	491.373	4.012	50	0		JIAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N(CC(C)C)CC(C)C)c(=O)c3c2)cc1	ZINC000006181511	521133197	/nfs/dbraw/zinc/13/31/97/521133197.db2.gz	QKMZHCBGUYFVJC-UHFFFAOYSA-N	-2	3	499.633	4.482	50	0		JIAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N(CC(C)C)CC(C)C)c([O-])c3c2)cc1	ZINC000006181511	521133203	/nfs/dbraw/zinc/13/32/03/521133203.db2.gz	QKMZHCBGUYFVJC-UHFFFAOYSA-N	-2	3	499.633	4.482	50	0		JIAAHL
CCc1nnc([N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)s1	ZINC000003321655	522776512	/nfs/dbraw/zinc/77/65/12/522776512.db2.gz	JJYAIOUMEDIJSJ-UHFFFAOYSA-N	-2	3	457.364	4.460	50	0		JIAAHL
Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4ccccc4F)CC3)c(C(=O)[O-])c2)c1	ZINC000033253242	524456495	/nfs/dbraw/zinc/45/64/95/524456495.db2.gz	FHTYXTUGEBZXHA-UHFFFAOYSA-N	-2	3	497.592	4.264	50	0		JIAAHL
COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OC(=O)c1ccc(Cl)cc1	ZINC000019974265	555576350	/nfs/dbraw/zinc/57/63/50/555576350.db2.gz	BJQNXVYIJVBISX-UHFFFAOYSA-N	-2	3	468.897	4.222	50	0		JIAAHL
COc1ccc([N-]S(=O)(=O)c2ccc([O-])c(C(=O)N(C)Cc3nc4ccccc4s3)c2)cc1	ZINC000010078584	555616430	/nfs/dbraw/zinc/61/64/30/555616430.db2.gz	HRGHRFPDJIPUKW-UHFFFAOYSA-N	-2	3	483.571	4.084	50	0		JIAAHL
CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])cc1	ZINC000033007091	569615194	/nfs/dbraw/zinc/61/51/94/569615194.db2.gz	KNLHVLLQQSKICS-UHFFFAOYSA-N	-2	3	479.602	4.465	50	0		JIAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1N1CCN(C2CCCCC2)CC1	ZINC000063600914	569615762	/nfs/dbraw/zinc/61/57/62/569615762.db2.gz	ALYCMDQJWIQCNT-UHFFFAOYSA-N	-2	3	484.043	4.355	50	0		JIAAHL
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096116062	569735018	/nfs/dbraw/zinc/73/50/18/569735018.db2.gz	WMHWHQVRDUMREO-QGZVFWFLSA-N	-3	3	460.438	4.264	50	0	biogenic	JIAAHL
O=C([O-])c1ccccc1[N-]C([N-]C(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000135792550	569864482	/nfs/dbraw/zinc/86/44/82/569864482.db2.gz	UJWIBHUOGPSQEP-UHFFFAOYSA-N	-3	3	480.205	4.475	50	0		JIAAHL
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(F)cc1	ZINC000001145726	194047446	/nfs/dbraw/zinc/04/74/46/194047446.db2.gz	LPHKKPJWYNCNEF-UHFFFAOYSA-N	-2	3	474.457	4.446	50	0		JIAAHL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000001150733	194050383	/nfs/dbraw/zinc/05/03/83/194050383.db2.gz	UJNSFELOJLNLCY-UHFFFAOYSA-N	-2	3	454.932	4.389	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2[C@H](NCC(=O)[O-])c2ccccc2)cc1	ZINC000001516594	194127336	/nfs/dbraw/zinc/12/73/36/194127336.db2.gz	ZICHOBXDQPYPPG-JOCHJYFZSA-N	-2	3	489.391	4.322	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1	ZINC000012605453	195051108	/nfs/dbraw/zinc/05/11/08/195051108.db2.gz	UWLWWSUEXIVTTL-UHFFFAOYSA-N	-2	3	460.577	4.222	50	0		JIAAHL
O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1ccc(F)cc1	ZINC000012605737	195051285	/nfs/dbraw/zinc/05/12/85/195051285.db2.gz	UUNFNTHCWPFMIE-UHFFFAOYSA-N	-2	3	458.536	4.356	50	0		JIAAHL
Cc1noc(C)c1CCN(C)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-]	ZINC000021533870	195310627	/nfs/dbraw/zinc/31/06/27/195310627.db2.gz	INIUPXNYSLKSDF-UHFFFAOYSA-N	-2	3	457.552	4.086	50	0		JIAAHL
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)N(C)Cc4ccccc4)c(=O)c3c2)c1	ZINC000008595175	524438503	/nfs/dbraw/zinc/43/85/03/524438503.db2.gz	MAEZQKAURPONQL-UHFFFAOYSA-N	-2	3	475.570	4.218	50	0		JIAAHL
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3ncc(C(=O)N(C)Cc4ccccc4)c([O-])c3c2)c1	ZINC000008595175	524438511	/nfs/dbraw/zinc/43/85/11/524438511.db2.gz	MAEZQKAURPONQL-UHFFFAOYSA-N	-2	3	475.570	4.218	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4Cl)CC3)c(C(=O)[O-])c2)cc1	ZINC000033252934	525606517	/nfs/dbraw/zinc/60/65/17/525606517.db2.gz	SOSFLULGIUTTCV-UHFFFAOYSA-N	-2	3	485.993	4.474	50	0		JIAAHL
O=c1[n-]c(=S)n(-c2ccc(Br)cc2)c([O-])c1[C@H]1NCCc2c3ccccc3[nH]c21	ZINC000002107400	527453770	/nfs/dbraw/zinc/45/37/70/527453770.db2.gz	MKZZRQXNVHYRSF-GOSISDBHSA-N	-2	3	469.364	4.080	50	0	biogenic	JIAAHL
O=C([N-]CCc1cccc(Cl)c1)C(F)(F)C(F)(F)C(=O)[N-]CCc1cccc(Cl)c1	ZINC000002748064	554325033	/nfs/dbraw/zinc/32/50/33/554325033.db2.gz	WTTQPAHISGYGLG-UHFFFAOYSA-N	-2	3	465.274	4.282	50	0		JIAAHL
CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1	ZINC000002873743	554396846	/nfs/dbraw/zinc/39/68/46/554396846.db2.gz	HMHQLGJFQRRNSC-UHFFFAOYSA-N	-2	3	452.554	4.149	50	0		JIAAHL
COc1c2c(cc3c1[C@H](c1c(=O)[n-]c(=S)n(-c4ccc(C(C)C)cc4)c1[O-])N(C)CC3)OCO2	ZINC000016972426	556192220	/nfs/dbraw/zinc/19/22/20/556192220.db2.gz	HBCMIBFHTOEYPE-HXUWFJFHSA-N	-2	3	481.574	4.039	50	0	biogenic	JIAAHL
CCCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000032961770	556579038	/nfs/dbraw/zinc/57/90/38/556579038.db2.gz	JYIHPLYQZDQFQO-UHFFFAOYSA-N	-2	3	472.394	4.024	50	0		JIAAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(Cc3cccc(F)c3)CC2)cc1C	ZINC000032962000	569602624	/nfs/dbraw/zinc/60/26/24/569602624.db2.gz	ZYGPGAMEKOINCU-UHFFFAOYSA-N	-2	3	497.592	4.264	50	0		JIAAHL
CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)c(C(=O)[O-])c2)C1	ZINC000033007316	569615382	/nfs/dbraw/zinc/61/53/82/569615382.db2.gz	XAFZLQWBPNQTEN-IBGZPJMESA-N	-2	3	488.606	4.164	50	0		JIAAHL
CC(C)(C)c1nc2cc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc5n[n-]nc5c4)c3)ccc2o1	ZINC000095963751	569731745	/nfs/dbraw/zinc/73/17/45/569731745.db2.gz	GLJGFOZLAMUUAC-UHFFFAOYSA-N	-2	3	490.545	4.450	50	0		JIAAHL
CN1CCN(C(=O)C[C@@H](c2ccsc2)c2c([O-])cc([O-])c3c(=O)cc(-c4ccccc4)oc32)CC1	ZINC000096114099	569733245	/nfs/dbraw/zinc/73/32/45/569733245.db2.gz	FVADBUOEIFFEPE-IBGZPJMESA-N	-2	3	490.581	4.229	50	0	biogenic	JIAAHL
COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096114845	569733874	/nfs/dbraw/zinc/73/38/74/569733874.db2.gz	FNSJFCRPHHXGHA-MRXNPFEDSA-N	-2	3	462.454	4.280	50	0	biogenic	JIAAHL
CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@@H](c3ccc(Br)cc3)C2)c(=O)[n-]c1=S	ZINC000101495584	569800631	/nfs/dbraw/zinc/80/06/31/569800631.db2.gz	ALUQWPCYKJMEKW-OAHLLOKOSA-N	-2	3	479.400	4.262	50	0		JIAAHL
O=C([N-]c1nncs1)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl	ZINC000003226043	194244246	/nfs/dbraw/zinc/24/42/46/194244246.db2.gz	FCYQMTCXRUJJSB-UHFFFAOYSA-N	-2	3	462.862	4.263	50	0		JIAAHL
CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(C(C)C)cc4)ccc3n2)CC1	ZINC000033256367	519859884	/nfs/dbraw/zinc/85/98/84/519859884.db2.gz	AGDAYXGTXDEYBM-UHFFFAOYSA-N	-2	3	496.633	4.389	50	0		JIAAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)c1	ZINC000033253088	524194771	/nfs/dbraw/zinc/19/47/71/524194771.db2.gz	MFPRMYTWQNBDMY-UHFFFAOYSA-N	-2	3	465.575	4.129	50	0		JIAAHL
Cc1ccc(Cl)cc1N1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)[O-])CC1	ZINC000033253016	524737090	/nfs/dbraw/zinc/73/70/90/524737090.db2.gz	UFCFOFRPQVRZBA-UHFFFAOYSA-N	-2	3	485.993	4.474	50	0		JIAAHL
Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4cccc(C)c4C)CC3)c(C(=O)[O-])c2)c1	ZINC000033253005	524808350	/nfs/dbraw/zinc/80/83/50/524808350.db2.gz	WJPXMWFIYJPCOO-UHFFFAOYSA-N	-2	3	479.602	4.437	50	0		JIAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c1	ZINC000028846922	556342781	/nfs/dbraw/zinc/34/27/81/556342781.db2.gz	VCUXGCCWFIMQEC-HNNXBMFYSA-N	-2	3	488.949	4.045	50	0		JIAAHL
CCCn1nc(C)cc1CN(C)c1ccc([N-]S(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-]	ZINC000032971084	569603699	/nfs/dbraw/zinc/60/36/99/569603699.db2.gz	LBDKEAVPZDGPGF-UHFFFAOYSA-N	-2	3	470.595	4.354	50	0		JIAAHL
CC(=O)c1ccc(N2CCN(c3ccc([N-]S(=O)(=O)c4ccccc4C)c(C(=O)[O-])c3)CC2)cc1	ZINC000033007035	569615201	/nfs/dbraw/zinc/61/52/01/569615201.db2.gz	JYWCPEOENLBBQU-UHFFFAOYSA-N	-2	3	493.585	4.023	50	0		JIAAHL
COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1c(=O)cc([O-])c2c([O-])cc(-c3ccccc3)oc1-2	ZINC000096113723	569732907	/nfs/dbraw/zinc/73/29/07/569732907.db2.gz	ZFYYZUGRXZNJPU-INIZCTEOSA-N	-2	3	490.464	4.304	50	0	biogenic	JIAAHL
COC(=O)C[C@H](c1cc2ccccc2n(C)c1=O)c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000096115931	569734847	/nfs/dbraw/zinc/73/48/47/569734847.db2.gz	SJFVAXFKSMYKKK-HXUWFJFHSA-N	-2	3	497.503	4.418	50	0	biogenic	JIAAHL
CC(C)C[C@H](CC(=O)N1CCOCC1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000096221629	569738955	/nfs/dbraw/zinc/73/89/55/569738955.db2.gz	AEAYXNBJHMUIGC-GOSISDBHSA-N	-2	3	451.519	4.250	50	0	biogenic	JIAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4cccc(C)c4)[C@H](C)C3)c(C(=O)[O-])c2)cc1	ZINC000106409962	569854183	/nfs/dbraw/zinc/85/41/83/569854183.db2.gz	NWFRTHRMLLBILI-LJQANCHMSA-N	-2	3	495.601	4.218	50	0		JIAAHL