smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)ccc2C)c1	ZINC000001196730	194067814	/nfs/dbraw/zinc/06/78/14/194067814.db2.gz	WADDOAOULPRLPE-UHFFFAOYSA-N	-2	1	452.488	3.949	50	0		JHAAML
CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(C)cc(C)c2)CC1	ZINC000033253945	520584611	/nfs/dbraw/zinc/58/46/11/520584611.db2.gz	IXCSUAHEJIQVRG-UHFFFAOYSA-N	-2	1	460.552	3.582	50	0		JHAAML
COc1ccc(S(=O)(=O)[N-]c2cnc(N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(C(=O)[O-])c2)cc1	ZINC000021883363	525089495	/nfs/dbraw/zinc/08/94/95/525089495.db2.gz	HMXSMJVIUONJFV-SFHVURJKSA-N	-2	1	496.589	3.613	50	0		JHAAML
CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1	ZINC000002655668	554271423	/nfs/dbraw/zinc/27/14/23/554271423.db2.gz	NRWXYCZBBGABIL-UHFFFAOYSA-N	-2	1	474.560	3.547	50	0		JHAAML
O=C([O-])c1cc(N2CCN(c3ccccn3)CC2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000033007106	569615216	/nfs/dbraw/zinc/61/52/16/569615216.db2.gz	FKRYQVHWCJLTFY-UHFFFAOYSA-N	-2	1	490.944	3.700	50	0		JHAAML
CCCn1nc(C)cc1CN(C)c1ncc([N-]S(=O)(=O)c2ccc(CC)cc2)cc1C(=O)[O-]	ZINC000035397888	569688605	/nfs/dbraw/zinc/68/86/05/569688605.db2.gz	YARGHUHFBHYKRG-UHFFFAOYSA-N	-2	1	471.583	3.694	50	0		JHAAML
Cc1cccc(N2CCN(c3ncc([N-]S(=O)(=O)c4ccccc4C)cc3C(=O)[O-])C[C@@H]2C)c1	ZINC000021883379	524561954	/nfs/dbraw/zinc/56/19/54/524561954.db2.gz	MVBDVEHRUWTUOJ-IBGZPJMESA-N	-2	1	480.590	3.913	50	0		JHAAML
Cc1cccc(N2CCN(c3ncc([N-]S(=O)(=O)c4ccccc4)cc3C(=O)[O-])C[C@H]2C)c1	ZINC000021883364	555856888	/nfs/dbraw/zinc/85/68/88/555856888.db2.gz	ATVYIQYYOUJWBD-GOSISDBHSA-N	-2	1	466.563	3.604	50	0		JHAAML
CN(Cc1ccccc1)c1ncc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1C(=O)[O-]	ZINC000064843271	569637793	/nfs/dbraw/zinc/63/77/93/569637793.db2.gz	UKFOHKWWURZVLH-UHFFFAOYSA-N	-2	1	476.352	3.980	50	0		JHAAML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N(C)CCCc2c(C)nn(C)c2C)cc1	ZINC000033254072	525078163	/nfs/dbraw/zinc/07/81/63/525078163.db2.gz	DVVPOGJMPBNQHW-UHFFFAOYSA-N	-2	1	486.594	3.614	50	0		JHAAML
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(c3ccccn3)CC2)c1	ZINC000032961881	556579331	/nfs/dbraw/zinc/57/93/31/556579331.db2.gz	SBSJAIYEZQXIEB-UHFFFAOYSA-N	-2	1	466.563	3.524	50	0		JHAAML
CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)CC1	ZINC000033253940	520584109	/nfs/dbraw/zinc/58/41/09/520584109.db2.gz	RYGTYZCDTAUNQC-UHFFFAOYSA-N	-2	1	460.552	3.582	50	0		JHAAML
CCOC(=O)C1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1	ZINC000033253521	520584852	/nfs/dbraw/zinc/58/48/52/520584852.db2.gz	WRGPZXRPIZBOMM-UHFFFAOYSA-N	-2	1	466.943	3.619	50	0		JHAAML
CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C)cc2C)CC1	ZINC000033253939	520585678	/nfs/dbraw/zinc/58/56/78/520585678.db2.gz	JQFZBZDBHNTPIH-UHFFFAOYSA-N	-2	1	460.552	3.582	50	0		JHAAML
O=C([O-])CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000252498306	570082235	/nfs/dbraw/zinc/08/22/35/570082235.db2.gz	QXXWMSZCVYFHKB-HXUWFJFHSA-N	-2	1	467.503	3.623	50	0		JHAAML
Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(C(=O)[O-])c2)cc1	ZINC000021883368	525617623	/nfs/dbraw/zinc/61/76/23/525617623.db2.gz	KHKMWQFWVOCTNJ-IBGZPJMESA-N	-2	1	480.590	3.913	50	0		JHAAML
Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCN(c4cccc(C)c4)[C@H](C)C3)c(C(=O)[O-])c2)cc1	ZINC000021883367	525618176	/nfs/dbraw/zinc/61/81/76/525618176.db2.gz	KHKMWQFWVOCTNJ-LJQANCHMSA-N	-2	1	480.590	3.913	50	0		JHAAML
COCCOc1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c(C(=O)[O-])cc1OC	ZINC000012526096	555994040	/nfs/dbraw/zinc/99/40/40/555994040.db2.gz	RSGKOGLKZBVPOC-UHFFFAOYSA-N	-2	1	457.504	3.886	50	0		JHAAML
COc1ccccc1N1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccc(C)c2)CC1	ZINC000032961930	556580053	/nfs/dbraw/zinc/58/00/53/556580053.db2.gz	LUXZWOASMJFMMZ-UHFFFAOYSA-N	-2	1	481.574	3.829	50	0		JHAAML
CCCn1nc(C)cc1CN(C)c1ncc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-]	ZINC000035397891	569688532	/nfs/dbraw/zinc/68/85/32/569688532.db2.gz	ALLPFBBEVIMKMO-UHFFFAOYSA-N	-2	1	475.546	3.579	50	0		JHAAML
CCn1nc(C)c(CCN(C)c2ncc([N-]S(=O)(=O)c3cc(C)cc(C)c3)cc2C(=O)[O-])c1C	ZINC000035397874	569688587	/nfs/dbraw/zinc/68/85/87/569688587.db2.gz	VNIGNCWHVDVGSD-UHFFFAOYSA-N	-2	1	485.610	3.710	50	0		JHAAML
CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]C(=O)c3ccccc3)cc2)cc1	ZINC000001148415	194049480	/nfs/dbraw/zinc/04/94/80/194049480.db2.gz	DVDQFSKYYMNGBG-UHFFFAOYSA-N	-2	1	472.588	3.805	50	0		JHAAML
O=C1c2ccccc2-c2ccc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc21	ZINC000002870961	554395660	/nfs/dbraw/zinc/39/56/60/554395660.db2.gz	KWSBMWQQKVIEOR-UHFFFAOYSA-N	-2	1	497.579	3.956	50	0		JHAAML
O=C([O-])c1ccc(N2CCN(Cc3ccccc3F)CC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000032962005	569602612	/nfs/dbraw/zinc/60/26/12/569602612.db2.gz	CGOZHAFIAOBCIY-UHFFFAOYSA-N	-2	1	487.528	3.786	50	0		JHAAML
O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC000078648419	569706469	/nfs/dbraw/zinc/70/64/69/569706469.db2.gz	HZPLRRTYRLNZPX-UHFFFAOYSA-N	-2	1	454.533	3.752	50	0		JHAAML
CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(C)cc(C)c2)C1	ZINC000033253882	521121372	/nfs/dbraw/zinc/12/13/72/521121372.db2.gz	INGDGRIYHMZGPA-GOSISDBHSA-N	-2	1	460.552	3.582	50	0		JHAAML
Cc1cccc(N2CCN(c3ncc([N-]S(=O)(=O)c4cccc(C)c4)cc3C(=O)[O-])C[C@H]2C)c1	ZINC000021883382	555857205	/nfs/dbraw/zinc/85/72/05/555857205.db2.gz	LIZUGEFEXFCHNV-LJQANCHMSA-N	-2	1	480.590	3.913	50	0		JHAAML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(c3ccccn3)CC2)cc1C	ZINC000032961886	556579364	/nfs/dbraw/zinc/57/93/64/556579364.db2.gz	MGOFQQHUOLEGLZ-UHFFFAOYSA-N	-2	1	466.563	3.524	50	0		JHAAML
CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(C)c(C)cc2C)C1	ZINC000032971099	569603683	/nfs/dbraw/zinc/60/36/83/569603683.db2.gz	RJPXQRLPLHAPOP-LJQANCHMSA-N	-2	1	474.579	3.890	50	0		JHAAML
CCOC(=O)[C@H]1CCCN(c2ncc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2C(=O)[O-])C1	ZINC000064843241	569637770	/nfs/dbraw/zinc/63/77/70/569637770.db2.gz	KLDLWTHSBKDOJD-SFHVURJKSA-N	-2	1	489.594	3.559	50	0		JHAAML
CCN(Cc1ccccc1)c1ncc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-]	ZINC000064843198	569637772	/nfs/dbraw/zinc/63/77/72/569637772.db2.gz	SBHRDOKMVDIOGP-UHFFFAOYSA-N	-2	1	453.520	3.810	50	0		JHAAML
CCc1ccc(S(=O)(=O)[N-]c2cnc(N(C)CCCc3c(C)nn(C)c3C)c(C(=O)[O-])c2)cc1	ZINC000035397776	569688212	/nfs/dbraw/zinc/68/82/12/569688212.db2.gz	MZYPSHIBYKQVFP-UHFFFAOYSA-N	-2	1	485.610	3.562	50	0		JHAAML
CCSc1nc(O)c(C(c2cccc(OC)c2)c2c([O-])[nH]c(SCC)nc2=O)c(=O)[n-]1	ZINC000013153704	555359732	/nfs/dbraw/zinc/35/97/32/555359732.db2.gz	YFEFMQHFMWWMCL-UHFFFAOYSA-N	-2	1	462.553	3.502	50	0		JHAAML
O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(-c4nc5ccccc5s4)c3)cc21	ZINC000023144274	556022990	/nfs/dbraw/zinc/02/29/90/556022990.db2.gz	IJRJDVOMRYUMBJ-UHFFFAOYSA-N	-2	1	495.538	3.574	50	0		JHAAML
COC(=O)C[C@H](c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1ccc(C(=O)[O-])cc1	ZINC000217894495	569882059	/nfs/dbraw/zinc/88/20/59/569882059.db2.gz	ROGWKGUPQWYBGT-IBGZPJMESA-N	-2	1	464.518	3.791	50	0	biogenic	JHAAML
Cc1ccccc1S(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccco2)C1	ZINC000328599988	570179145	/nfs/dbraw/zinc/17/91/45/570179145.db2.gz	VHWFSZDGHRDJLQ-FQEVSTJZSA-N	-2	1	481.530	3.931	50	0		JHAAML
CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])C1	ZINC000033253409	521303883	/nfs/dbraw/zinc/30/38/83/521303883.db2.gz	KLFPJVKCDJHPOD-AWEZNQCLSA-N	-2	1	466.943	3.619	50	0		JHAAML
Cc1c(C(=O)[O-])c2cc([N-]S(=O)(=O)c3ccccc3)ccc2n1S(=O)(=O)c1ccccc1	ZINC000006142905	525665015	/nfs/dbraw/zinc/66/50/15/525665015.db2.gz	HGVSFXDGDBJBTA-UHFFFAOYSA-N	-2	1	470.528	3.686	50	0		JHAAML
COc1ccccc1[N-]S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000025265131	556206850	/nfs/dbraw/zinc/20/68/50/556206850.db2.gz	YJLMZPLMKQPOGK-UHFFFAOYSA-N	-3	1	496.950	3.648	50	0		JHAAML
CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(CC(C)C)cc2)CC1	ZINC000032961846	556579446	/nfs/dbraw/zinc/57/94/46/556579446.db2.gz	VMLXQGFPCVXWCR-UHFFFAOYSA-N	-2	1	489.594	3.663	50	0		JHAAML
CCOC(=O)[C@@H]1CCCN(c2ncc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2C(=O)[O-])C1	ZINC000064843239	569637788	/nfs/dbraw/zinc/63/77/88/569637788.db2.gz	KLDLWTHSBKDOJD-GOSISDBHSA-N	-2	1	489.594	3.559	50	0		JHAAML
O=c1[n-]c(-c2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)c2)n[nH]1	ZINC000071793599	569698545	/nfs/dbraw/zinc/69/85/45/569698545.db2.gz	FSEHJMNRDLHJHD-UHFFFAOYSA-N	-2	1	452.336	3.603	50	0		JHAAML
Cc1ccccc1S(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccco2)C1	ZINC000328599989	570179186	/nfs/dbraw/zinc/17/91/86/570179186.db2.gz	VHWFSZDGHRDJLQ-HXUWFJFHSA-N	-2	1	481.530	3.931	50	0		JHAAML
CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)C1	ZINC000033253869	521303658	/nfs/dbraw/zinc/30/36/58/521303658.db2.gz	YUXOZJGLTVBGCA-HNNXBMFYSA-N	-2	1	496.969	3.627	50	0		JHAAML
O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(O)c([N-]S(=O)(=O)c2cccnc2Cl)c1	ZINC000012556934	556043910	/nfs/dbraw/zinc/04/39/10/556043910.db2.gz	XIAGBVGZNHRRIU-UHFFFAOYSA-N	-2	1	474.347	3.696	50	0		JHAAML
O=C([O-])c1ccc(N2CCN(c3ccccc3F)CC2)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1	ZINC000032961955	569602688	/nfs/dbraw/zinc/60/26/88/569602688.db2.gz	TYWRWSSFGLJLMS-UHFFFAOYSA-N	-2	1	491.491	3.930	50	0		JHAAML
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1	ZINC000035350986	569681716	/nfs/dbraw/zinc/68/17/16/569681716.db2.gz	IBDSGYJEBODPHZ-UHFFFAOYSA-N	-2	1	468.487	3.615	50	0		JHAAML
O=C([O-])CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccco1	ZINC000035683993	569706681	/nfs/dbraw/zinc/70/66/81/569706681.db2.gz	ZWBHNKWSMHRHMG-HXUWFJFHSA-N	-2	1	467.503	3.623	50	0		JHAAML
O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1Br)c1ccccc1Cl	ZINC000003324458	194282212	/nfs/dbraw/zinc/28/22/12/194282212.db2.gz	JLGOKZXHLCJZAT-ZDUSSCGKSA-N	-2	1	454.676	3.875	50	0		JHAAML
CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(C)c(C)cc2C)C1	ZINC000032971100	569603630	/nfs/dbraw/zinc/60/36/30/569603630.db2.gz	RJPXQRLPLHAPOP-IBGZPJMESA-N	-2	1	474.579	3.890	50	0		JHAAML
CCCn1nc(C)cc1CN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000032971239	569603776	/nfs/dbraw/zinc/60/37/76/569603776.db2.gz	JIEMZYDULDMPJW-UHFFFAOYSA-N	-2	1	484.578	3.940	50	0		JHAAML
Cc1nn(C)c(C)c1CCCN(C)c1ncc([N-]S(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-]	ZINC000035397785	569688393	/nfs/dbraw/zinc/68/83/93/569688393.db2.gz	OZKYNEVACCUFLT-UHFFFAOYSA-N	-2	1	485.610	3.617	50	0		JHAAML
COc1ccc(S(=O)(=O)[N-]c2cnc(N3CCN(c4cccc(C)c4)[C@H](C)C3)c(C(=O)[O-])c2)cc1	ZINC000106409804	569854239	/nfs/dbraw/zinc/85/42/39/569854239.db2.gz	HMXSMJVIUONJFV-GOSISDBHSA-N	-2	1	496.589	3.613	50	0		JHAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Br)cc3)c2)c1	ZINC000001196904	553930989	/nfs/dbraw/zinc/93/09/89/553930989.db2.gz	LNGRAWLUBDIAHH-UHFFFAOYSA-N	-2	1	496.360	3.781	50	0		JHAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)[O-])c2)c1	ZINC000002864937	554390901	/nfs/dbraw/zinc/39/09/01/554390901.db2.gz	NRFNRRCUSBDEQE-UHFFFAOYSA-N	-3	1	474.878	3.790	50	0		JHAAML
Cc1cccc(N2CCN(c3ncc([N-]S(=O)(=O)c4ccc(F)cc4)cc3C(=O)[O-])C[C@H]2C)c1	ZINC000021883361	555856817	/nfs/dbraw/zinc/85/68/17/555856817.db2.gz	BUZBQNDUSXSPDE-QGZVFWFLSA-N	-2	1	484.553	3.743	50	0		JHAAML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(c3ccc(F)cc3)CC2)cc1	ZINC000032961898	556579610	/nfs/dbraw/zinc/57/96/10/556579610.db2.gz	BTWPWAMTHKVDFE-UHFFFAOYSA-N	-2	1	485.537	3.660	50	0		JHAAML
COc1ccccc1N1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2C)CC1	ZINC000032961929	556579998	/nfs/dbraw/zinc/57/99/98/556579998.db2.gz	XZBHUUVKODPJLZ-UHFFFAOYSA-N	-2	1	481.574	3.829	50	0		JHAAML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(c3ccccc3F)CC2)cc1	ZINC000032961945	569602565	/nfs/dbraw/zinc/60/25/65/569602565.db2.gz	ZMTYOITWCRAQKH-UHFFFAOYSA-N	-2	1	485.537	3.660	50	0		JHAAML
Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(Cc3ccccc3F)CC2)c1	ZINC000032962017	569602732	/nfs/dbraw/zinc/60/27/32/569602732.db2.gz	UQUNWEKAUKSACG-UHFFFAOYSA-N	-2	1	483.565	3.955	50	0		JHAAML
CCCN(CCC)c1ncc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1C(=O)[O-]	ZINC000035397375	569688126	/nfs/dbraw/zinc/68/81/26/569688126.db2.gz	BHGXHLZRUXJBQL-UHFFFAOYSA-N	-2	1	456.362	3.970	50	0		JHAAML
CCc1ccc(S(=O)(=O)[N-]c2cnc(N(C)CCc3c(C)nn(CC)c3C)c(C(=O)[O-])c2)cc1	ZINC000035397869	569688576	/nfs/dbraw/zinc/68/85/76/569688576.db2.gz	DQRGBKXYDGLCFR-UHFFFAOYSA-N	-2	1	485.610	3.655	50	0		JHAAML
O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000252444376	570080768	/nfs/dbraw/zinc/08/07/68/570080768.db2.gz	NKHPKUWUFDZUQS-JCNLHEQBSA-N	-2	1	451.475	3.552	50	0	biogenic	JHAAML
O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000252444376	570080769	/nfs/dbraw/zinc/08/07/69/570080769.db2.gz	NKHPKUWUFDZUQS-JCNLHEQBSA-N	-2	1	451.475	3.552	50	0	biogenic	JHAAML
Cc1nn(C)c(C)c1CCCN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000033254073	527621291	/nfs/dbraw/zinc/62/12/91/527621291.db2.gz	FOGVJGMXQBODPP-UHFFFAOYSA-N	-2	1	470.595	3.913	50	0		JHAAML
CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)[O-])ccc2C)c1	ZINC000000866180	553805606	/nfs/dbraw/zinc/80/56/06/553805606.db2.gz	JBNKKWKTJBZAPX-UHFFFAOYSA-N	-2	1	452.488	3.949	50	0		JHAAML
Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000006065374	554500934	/nfs/dbraw/zinc/50/09/34/554500934.db2.gz	OOROSBNBMMTPEK-UHFFFAOYSA-N	-2	1	465.936	3.980	50	0		JHAAML
COCCOc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(C(=O)[O-])cc1OC	ZINC000025044657	556173505	/nfs/dbraw/zinc/17/35/05/556173505.db2.gz	QWZOCRMPYFGIGI-UHFFFAOYSA-N	-2	1	483.848	3.892	50	0		JHAAML
Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])c2)c(C)c1	ZINC000035529630	563120222	/nfs/dbraw/zinc/12/02/22/563120222.db2.gz	ZJBANSURQWSLKI-UHFFFAOYSA-N	-2	1	460.533	3.603	50	0		JHAAML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(c3ccccc3F)CC2)cc1	ZINC000032961947	569602553	/nfs/dbraw/zinc/60/25/53/569602553.db2.gz	UAHKTFYCLNENTC-UHFFFAOYSA-N	-2	1	469.538	3.960	50	0		JHAAML
CCCn1nc(C)cc1CN(C)c1ncc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-]	ZINC000035397884	569688609	/nfs/dbraw/zinc/68/86/09/569688609.db2.gz	YQGZXAPBMDVITL-UHFFFAOYSA-N	-2	1	471.583	3.749	50	0		JHAAML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccco3)C2)cc1	ZINC000035684059	569706819	/nfs/dbraw/zinc/70/68/19/569706819.db2.gz	XMRDPPWDBIJMNG-NRFANRHFSA-N	-2	1	481.530	3.931	50	0		JHAAML
Cc1ccc([C@H]2CC(c3ccccc3[N-]S(=O)(=O)c3ccccc3)=NN2C(=O)CCC(=O)[O-])o1	ZINC000046085330	525987076	/nfs/dbraw/zinc/98/70/76/525987076.db2.gz	DYRHWVYUVQQUKR-OAQYLSRUSA-N	-2	1	481.530	3.931	50	0		JHAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)cc2)cnc1N1CCCCCC1	ZINC000035397420	569688053	/nfs/dbraw/zinc/68/80/53/569688053.db2.gz	KQKIGBCNGMXXIZ-UHFFFAOYSA-N	-2	1	454.346	3.724	50	0		JHAAML
CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)C1	ZINC000033253868	521120651	/nfs/dbraw/zinc/12/06/51/521120651.db2.gz	YUXOZJGLTVBGCA-OAHLLOKOSA-N	-2	1	496.969	3.627	50	0		JHAAML
CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(CC)cc2)C1	ZINC000033253873	521303818	/nfs/dbraw/zinc/30/38/18/521303818.db2.gz	UNVLMZKAEAFZIG-SFHVURJKSA-N	-2	1	460.552	3.528	50	0		JHAAML
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)n1	ZINC000002812960	554361213	/nfs/dbraw/zinc/36/12/13/554361213.db2.gz	HJLVBPYNDUIVPO-UHFFFAOYSA-N	-2	1	468.560	3.848	50	0		JHAAML
O=C([O-])c1ccc(N2CCN(c3ccccc3F)CC2)c([N-]S(=O)(=O)c2cccc(F)c2)c1	ZINC000032961954	569602694	/nfs/dbraw/zinc/60/26/94/569602694.db2.gz	AIFXCHYDECSLIV-UHFFFAOYSA-N	-2	1	473.501	3.790	50	0		JHAAML
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000024101179	556121589	/nfs/dbraw/zinc/12/15/89/556121589.db2.gz	RRFHPISZUCVSRJ-UHFFFAOYSA-N	-2	1	454.961	3.590	50	0		JHAAML
COc1ccc(S(=O)(=O)[N-]c2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1Cl	ZINC000064843288	569637987	/nfs/dbraw/zinc/63/79/87/569637987.db2.gz	VFNDJIWAJIBBEI-UHFFFAOYSA-N	-2	1	461.927	3.879	50	0		JHAAML
CCCn1nc(C)cc1CN(C)c1ncc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1C(=O)[O-]	ZINC000035397885	569688570	/nfs/dbraw/zinc/68/85/70/569688570.db2.gz	ACSGDIFONJEGRI-UHFFFAOYSA-N	-2	1	471.583	3.749	50	0		JHAAML
COC(=O)C[C@@H](c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1ccc(C(=O)[O-])cc1	ZINC000217894405	569882044	/nfs/dbraw/zinc/88/20/44/569882044.db2.gz	ROGWKGUPQWYBGT-LJQANCHMSA-N	-2	1	464.518	3.791	50	0	biogenic	JHAAML
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1OC	ZINC000012865782	195161321	/nfs/dbraw/zinc/16/13/21/195161321.db2.gz	AJAVJDAAQBGIFZ-ZZXKWVIFSA-N	-2	1	460.277	3.504	50	0		JHAAML
Cc1nn(C)c(C)c1CCCN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C	ZINC000033254075	527620915	/nfs/dbraw/zinc/62/09/15/527620915.db2.gz	RCSLSSMSBWRHJL-UHFFFAOYSA-N	-2	1	470.595	3.913	50	0		JHAAML
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OCC(C)C)cc1	ZINC000008878184	554773757	/nfs/dbraw/zinc/77/37/57/554773757.db2.gz	LQUXBZKJHUBSTD-NRFANRHFSA-N	-2	1	453.491	3.717	50	0	biogenic	JHAAML
COc1ccccc1N1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000032961918	556579767	/nfs/dbraw/zinc/57/97/67/556579767.db2.gz	ZJDYGQGRNGCWCS-UHFFFAOYSA-N	-2	1	485.537	3.660	50	0		JHAAML
Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCN(Cc2ccccc2F)CC1	ZINC000032962016	569602726	/nfs/dbraw/zinc/60/27/26/569602726.db2.gz	DVKWZGBLZGMIQW-UHFFFAOYSA-N	-2	1	483.565	3.955	50	0		JHAAML
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2)n1	ZINC000001033584	194006528	/nfs/dbraw/zinc/00/65/28/194006528.db2.gz	UGLDJQSFFVTGER-UHFFFAOYSA-N	-2	1	466.972	3.657	50	0		JHAAML
COc1ccc([O-])c(C(=O)c2cc(SCC(=O)[O-])c3nc4sc5c(c4c(=O)n3c2)CCCC5)c1	ZINC000003426013	194319924	/nfs/dbraw/zinc/31/99/24/194319924.db2.gz	VVQZEWVOOOTEQG-UHFFFAOYSA-N	-2	1	496.566	3.910	50	0		JHAAML
CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)C1	ZINC000033253863	521302877	/nfs/dbraw/zinc/30/28/77/521302877.db2.gz	UAHOJMDDMOIZDT-SFHVURJKSA-N	-2	1	460.552	3.582	50	0		JHAAML
Cc1nn(C)c(C)c1CCCN(C)c1ncc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1C(=O)[O-]	ZINC000035397773	569688280	/nfs/dbraw/zinc/68/82/80/569688280.db2.gz	NSMHIDAQPWEXED-UHFFFAOYSA-N	-2	1	485.610	3.617	50	0		JHAAML
Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(C)c(Cl)cc3C)cc2)no1	ZINC000001027631	194005128	/nfs/dbraw/zinc/00/51/28/194005128.db2.gz	DLPXPHGWIHKZNQ-UHFFFAOYSA-N	-2	1	455.945	3.855	50	0		JHAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1Cl	ZINC000023883463	556098944	/nfs/dbraw/zinc/09/89/44/556098944.db2.gz	VAWSYYSNYNPZHA-UHFFFAOYSA-N	-2	1	464.849	3.694	50	0		JHAAML
CCCCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1C(=O)[O-]	ZINC000035397484	569688049	/nfs/dbraw/zinc/68/80/49/569688049.db2.gz	DRTLKIMYIVZPFN-UHFFFAOYSA-N	-2	1	456.362	3.970	50	0		JHAAML
CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])C1	ZINC000033253408	521120260	/nfs/dbraw/zinc/12/02/60/521120260.db2.gz	KLFPJVKCDJHPOD-CQSZACIVSA-N	-2	1	466.943	3.619	50	0		JHAAML
Cc1noc(C)c1CCN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1C	ZINC000021883443	526489287	/nfs/dbraw/zinc/48/92/87/526489287.db2.gz	KJFJWJVYXMLCNX-UHFFFAOYSA-N	-2	1	461.515	3.917	50	0		JHAAML
Cc1cccc(NS(=O)(=O)c2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc2C)c1	ZINC000013347579	555377840	/nfs/dbraw/zinc/37/78/40/555377840.db2.gz	KALYJHSNJZTOOT-UHFFFAOYSA-N	-2	1	460.533	3.603	50	0		JHAAML
CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)C1	ZINC000033253862	521120171	/nfs/dbraw/zinc/12/01/71/521120171.db2.gz	UAHOJMDDMOIZDT-GOSISDBHSA-N	-2	1	460.552	3.582	50	0		JHAAML
CCCn1nc(C)cc1CN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000033254143	521669648	/nfs/dbraw/zinc/66/96/48/521669648.db2.gz	JOXGMAKCCZRWGF-UHFFFAOYSA-N	-2	1	472.567	3.746	50	0		JHAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCCO4)c2)c1	ZINC000009468048	555246760	/nfs/dbraw/zinc/24/67/60/555246760.db2.gz	BVIUTFYNKCUXGI-UHFFFAOYSA-N	-2	1	468.487	3.599	50	0		JHAAML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(c3ccccn3)CC2)c(C)c1	ZINC000032961885	556579326	/nfs/dbraw/zinc/57/93/26/556579326.db2.gz	KTFMJJXJLDNLHA-UHFFFAOYSA-N	-2	1	466.563	3.524	50	0		JHAAML
Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(c3ccc(F)cc3)CC2)c1	ZINC000032961914	556579752	/nfs/dbraw/zinc/57/97/52/556579752.db2.gz	WIVLVKNFGVGAQG-UHFFFAOYSA-N	-2	1	469.538	3.960	50	0		JHAAML
O=C([O-])CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000252498305	570082268	/nfs/dbraw/zinc/08/22/68/570082268.db2.gz	QXXWMSZCVYFHKB-FQEVSTJZSA-N	-2	1	467.503	3.623	50	0		JHAAML
Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000006065380	554500971	/nfs/dbraw/zinc/50/09/71/554500971.db2.gz	LHMRPJWHAILVQH-UHFFFAOYSA-N	-2	1	465.936	3.980	50	0		JHAAML
O=C([O-])c1ccc(N2CCN(Cc3ccccc3F)CC2)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000032962007	569602755	/nfs/dbraw/zinc/60/27/55/569602755.db2.gz	IOJVCXSMUNCJBC-UHFFFAOYSA-N	-2	1	469.538	3.647	50	0		JHAAML
O=C([O-])CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccco1	ZINC000035683992	569706655	/nfs/dbraw/zinc/70/66/55/569706655.db2.gz	ZWBHNKWSMHRHMG-FQEVSTJZSA-N	-2	1	467.503	3.623	50	0		JHAAML
COc1cc(CC(=O)[O-])c(S(=O)(=O)[N-]c2ccc(SC(F)(F)F)cc2)cc1OC	ZINC000004244674	194385968	/nfs/dbraw/zinc/38/59/68/194385968.db2.gz	SRTQIWXFXFVKBJ-UHFFFAOYSA-N	-2	1	451.444	3.744	50	0		JHAAML
O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3SCc3ccccc3)cc21	ZINC000023144345	556022860	/nfs/dbraw/zinc/02/28/60/556022860.db2.gz	OTWMQLNEWYAKFJ-UHFFFAOYSA-N	-2	1	484.555	3.590	50	0		JHAAML
O=C([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N-]S(=O)(=O)c2cccc(F)c2)c1	ZINC000032961908	556579714	/nfs/dbraw/zinc/57/97/14/556579714.db2.gz	BIINMLZLLSSITE-UHFFFAOYSA-N	-2	1	473.501	3.790	50	0		JHAAML
O=C([O-])[C@H](CCCC[N-]C(=O)C(F)(F)F)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000034781584	569659155	/nfs/dbraw/zinc/65/91/55/569659155.db2.gz	ZVLMWTPNDXNXSZ-IBGZPJMESA-N	-2	1	464.440	3.827	50	0		JHAAML
Cc1nn(C)c(C)c1CCCN(C)c1ncc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-]	ZINC000035397783	569688268	/nfs/dbraw/zinc/68/82/68/569688268.db2.gz	IZDOOCRCXJBXKU-UHFFFAOYSA-N	-2	1	499.637	3.925	50	0		JHAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2Cl)ccc1N1CCN(c2ccccn2)CC1	ZINC000033253035	526354549	/nfs/dbraw/zinc/35/45/49/526354549.db2.gz	OHWSWMWJLVIFSB-UHFFFAOYSA-N	-2	1	472.954	3.561	50	0		JHAAML
CCOC(=O)NC([N-]c1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1)(C(F)(F)F)C(F)(F)F	ZINC000002050583	554010808	/nfs/dbraw/zinc/01/08/08/554010808.db2.gz	MEFINNBSDKGREX-UHFFFAOYSA-N	-2	1	490.382	3.763	50	0		JHAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Br)cc3)c2)cc1	ZINC000006166217	554513927	/nfs/dbraw/zinc/51/39/27/554513927.db2.gz	NWRIRHGXGRXAPQ-UHFFFAOYSA-N	-2	1	496.360	3.781	50	0		JHAAML
Cc1cccc(N2CCN(c3ncc([N-]S(=O)(=O)c4ccccc4C)cc3C(=O)[O-])C[C@H]2C)c1	ZINC000021883378	555857248	/nfs/dbraw/zinc/85/72/48/555857248.db2.gz	MVBDVEHRUWTUOJ-LJQANCHMSA-N	-2	1	480.590	3.913	50	0		JHAAML
CCOC(=O)C1CCN(c2ncc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)[O-])CC1	ZINC000035397414	569688068	/nfs/dbraw/zinc/68/80/68/569688068.db2.gz	DYOJJEZUDHMVJQ-UHFFFAOYSA-N	-2	1	489.594	3.658	50	0		JHAAML
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1Br)c1ccccc1Cl	ZINC000003324456	194282132	/nfs/dbraw/zinc/28/21/32/194282132.db2.gz	JLGOKZXHLCJZAT-CYBMUJFWSA-N	-2	1	454.676	3.875	50	0		JHAAML
CCCn1nc(C)cc1CN(C)c1ncc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1C(=O)[O-]	ZINC000035397880	569688542	/nfs/dbraw/zinc/68/85/42/569688542.db2.gz	DVXMZPLTLFYZSQ-UHFFFAOYSA-N	-2	1	471.583	3.749	50	0		JHAAML
CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(C)cc(C)c2)C1	ZINC000033253883	521303066	/nfs/dbraw/zinc/30/30/66/521303066.db2.gz	INGDGRIYHMZGPA-SFHVURJKSA-N	-2	1	460.552	3.582	50	0		JHAAML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(c3ccc(F)cc3)CC2)cc1	ZINC000032961900	556579706	/nfs/dbraw/zinc/57/97/06/556579706.db2.gz	PWTJMRXIQLEPCS-UHFFFAOYSA-N	-2	1	469.538	3.960	50	0		JHAAML
O=C([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000032961899	556579760	/nfs/dbraw/zinc/57/97/60/556579760.db2.gz	NGTPHFOAFXRHHI-UHFFFAOYSA-N	-2	1	455.511	3.651	50	0		JHAAML
O=C([O-])c1ccc(N2CCN(c3ccccc3F)CC2)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000032961946	569602559	/nfs/dbraw/zinc/60/25/59/569602559.db2.gz	GWZLWZCXMZRUGQ-UHFFFAOYSA-N	-2	1	455.511	3.651	50	0		JHAAML
CCCn1nc(C)cc1CN(C)c1ncc([N-]S(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-]	ZINC000064843570	569638155	/nfs/dbraw/zinc/63/81/55/569638155.db2.gz	UYJXXDXXYBOIMB-UHFFFAOYSA-N	-2	1	471.583	3.749	50	0		JHAAML
CCn1nc(C)c(CCN(C)c2ncc([N-]S(=O)(=O)c3cc(F)ccc3C)cc2C(=O)[O-])c1C	ZINC000035397872	569688564	/nfs/dbraw/zinc/68/85/64/569688564.db2.gz	RZAZVVDCRRDCKC-UHFFFAOYSA-N	-2	1	489.573	3.540	50	0		JHAAML
O=C([N-]n1c(=O)c2ccccc2[n-]c1=S)c1cc(Br)c(Br)s1	ZINC000002788970	554345469	/nfs/dbraw/zinc/34/54/69/554345469.db2.gz	OOHDYFGMPCFKTI-UHFFFAOYSA-N	-2	1	461.160	3.656	50	0		JHAAML
CC(=O)c1ccc(N2CCN(c3ccc(C(=O)[O-])cc3[N-]S(=O)(=O)c3cccc(F)c3)CC2)cc1	ZINC000032961745	556578998	/nfs/dbraw/zinc/57/89/98/556578998.db2.gz	FGRZBKMRNVZLOU-UHFFFAOYSA-N	-2	1	497.548	3.854	50	0		JHAAML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(c3ccccc3OC)CC2)cc1	ZINC000032961919	556579819	/nfs/dbraw/zinc/57/98/19/556579819.db2.gz	JHEBAVCNLMVXEQ-UHFFFAOYSA-N	-2	1	497.573	3.529	50	0		JHAAML
Cc1noc(C)c1CCN(C)c1ncc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-]	ZINC000064843519	569637911	/nfs/dbraw/zinc/63/79/11/569637911.db2.gz	DNZRNEZKPVJOIR-UHFFFAOYSA-N	-2	1	472.567	3.790	50	0		JHAAML
CCOC(=O)[C@@H]1CCCN(c2ncc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)[O-])C1	ZINC000035397315	569688144	/nfs/dbraw/zinc/68/81/44/569688144.db2.gz	IOLMSBNTLRXPLS-MRXNPFEDSA-N	-2	1	489.594	3.658	50	0		JHAAML
CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)s1	ZINC000068268147	569691131	/nfs/dbraw/zinc/69/11/31/569691131.db2.gz	OZBSSKGBKHOLGA-UHFFFAOYSA-N	-2	1	477.408	3.523	50	0	in-vitro	JHAAML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccco3)C2)cc1	ZINC000035684060	569706809	/nfs/dbraw/zinc/70/68/09/569706809.db2.gz	XMRDPPWDBIJMNG-OAQYLSRUSA-N	-2	1	481.530	3.931	50	0		JHAAML
COc1ccc(S(=O)(=O)[N-]c2cc(OC(F)F)c(OC)cc2C(=O)[O-])cc1Br	ZINC000040115196	569816287	/nfs/dbraw/zinc/81/62/87/569816287.db2.gz	BHZUXOOVQVUBSQ-UHFFFAOYSA-N	-2	1	482.255	3.567	50	0		JHAAML
CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(CC)cc2)C1	ZINC000033253872	521120795	/nfs/dbraw/zinc/12/07/95/521120795.db2.gz	UNVLMZKAEAFZIG-GOSISDBHSA-N	-2	1	460.552	3.528	50	0		JHAAML
Cc1cccc(N2CCN(c3ncc([N-]S(=O)(=O)c4ccccc4)cc3C(=O)[O-])C[C@@H]2C)c1	ZINC000021883365	524562546	/nfs/dbraw/zinc/56/25/46/524562546.db2.gz	ATVYIQYYOUJWBD-SFHVURJKSA-N	-2	1	466.563	3.604	50	0		JHAAML
Cc1cccc(N2CCN(c3ncc([N-]S(=O)(=O)c4ccc(F)cc4)cc3C(=O)[O-])C[C@@H]2C)c1	ZINC000021883362	524563204	/nfs/dbraw/zinc/56/32/04/524563204.db2.gz	BUZBQNDUSXSPDE-KRWDZBQOSA-N	-2	1	484.553	3.743	50	0		JHAAML
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)n1	ZINC000013042070	556248353	/nfs/dbraw/zinc/24/83/53/556248353.db2.gz	IKXFSVUEYUFJBO-UHFFFAOYSA-N	-2	1	474.608	3.993	50	0		JHAAML
CCCC(=O)NC([N-]c1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1)(C(F)(F)F)C(F)(F)F	ZINC000003991787	194367966	/nfs/dbraw/zinc/36/79/66/194367966.db2.gz	UGOUFIBHZSPYIW-UHFFFAOYSA-N	-2	1	488.410	3.933	50	0		JHAAML
Cc1ccc([C@@H]2CC(c3ccccc3[N-]S(=O)(=O)c3ccccc3)=NN2C(=O)CCC(=O)[O-])o1	ZINC000046085329	525795794	/nfs/dbraw/zinc/79/57/94/525795794.db2.gz	DYRHWVYUVQQUKR-NRFANRHFSA-N	-2	1	481.530	3.931	50	0		JHAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)ccc1F	ZINC000013367219	555389490	/nfs/dbraw/zinc/38/94/90/555389490.db2.gz	ZWKODWQKYQSKPX-UHFFFAOYSA-N	-2	1	484.914	3.779	50	0		JHAAML
COc1ccccc1N1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000032961921	556579794	/nfs/dbraw/zinc/57/97/94/556579794.db2.gz	AUCFWDSNUBCRSC-UHFFFAOYSA-N	-2	1	481.574	3.829	50	0		JHAAML
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(c3ccccn3)CC2)cc1C	ZINC000032961895	556579814	/nfs/dbraw/zinc/57/98/14/556579814.db2.gz	ASFPOVZKSFEXFF-UHFFFAOYSA-N	-2	1	480.590	3.832	50	0		JHAAML
CCOC(=O)[C@H]1CCCN(c2ncc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)[O-])C1	ZINC000035397316	569688045	/nfs/dbraw/zinc/68/80/45/569688045.db2.gz	IOLMSBNTLRXPLS-INIZCTEOSA-N	-2	1	489.594	3.658	50	0		JHAAML
Cc1nn(C)c(C)c1CCCN(C)c1ncc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-]	ZINC000035397760	569688204	/nfs/dbraw/zinc/68/82/04/569688204.db2.gz	AMWOHYFRISHQPS-UHFFFAOYSA-N	-2	1	499.637	3.925	50	0		JHAAML
CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(=O)[O-])c3)ccc2C)c1	ZINC000001196972	194067698	/nfs/dbraw/zinc/06/76/98/194067698.db2.gz	VHYVSELSLMBVGA-UHFFFAOYSA-N	-2	1	452.488	3.949	50	0		JHAAML
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@H](CC(=O)[O-])c1ccc(OCC(C)C)cc1	ZINC000008878186	554773805	/nfs/dbraw/zinc/77/38/05/554773805.db2.gz	LQUXBZKJHUBSTD-OAQYLSRUSA-N	-2	1	453.491	3.717	50	0	biogenic	JHAAML
CCn1nc(C)c(CCN(C)c2ncc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2C(=O)[O-])c1C	ZINC000035397864	569688552	/nfs/dbraw/zinc/68/85/52/569688552.db2.gz	HJTSEGAOYSNAME-UHFFFAOYSA-N	-2	1	485.610	3.710	50	0		JHAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)c1	ZINC000000754843	553777455	/nfs/dbraw/zinc/77/74/55/553777455.db2.gz	ZJOOXWFRQRHJMG-UHFFFAOYSA-N	-2	1	451.909	3.672	50	0		JHAAML
O=C([O-])[C@H](Cc1ccc(C[P@@](=O)([O-])O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002560016	554235982	/nfs/dbraw/zinc/23/59/82/554235982.db2.gz	OBRYXGOVBZKHLL-QHCPKHFHSA-N	-2	1	481.441	3.899	50	0		JHAAML
COc1ccccc1N1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2)CC1	ZINC000032961920	556579689	/nfs/dbraw/zinc/57/96/89/556579689.db2.gz	AGTVMFAXSKLWNZ-UHFFFAOYSA-N	-2	1	467.547	3.521	50	0		JHAAML
Cc1nn(C)c(C)c1CCCN(C)c1ncc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-]	ZINC000035397771	569688259	/nfs/dbraw/zinc/68/82/59/569688259.db2.gz	YBSJETGYCOMDDG-UHFFFAOYSA-N	-2	1	485.610	3.617	50	0		JHAAML
Cc1cccc(N2CCN(c3ncc([N-]S(=O)(=O)c4cccc(C)c4)cc3C(=O)[O-])C[C@@H]2C)c1	ZINC000021883383	524563129	/nfs/dbraw/zinc/56/31/29/524563129.db2.gz	LIZUGEFEXFCHNV-IBGZPJMESA-N	-2	1	480.590	3.913	50	0		JHAAML
CC(=O)c1ccc(N2CCN(c3ccc(C(=O)[O-])cc3[N-]S(=O)(=O)c3ccc(F)cc3)CC2)cc1	ZINC000032961742	556579052	/nfs/dbraw/zinc/57/90/52/556579052.db2.gz	NNBYGSDNIXHNIK-UHFFFAOYSA-N	-2	1	497.548	3.854	50	0		JHAAML
CC(=O)c1ccc(N2CCN(c3ccc(C(=O)[O-])cc3[N-]S(=O)(=O)c3ccccc3)CC2)cc1	ZINC000032961743	556579079	/nfs/dbraw/zinc/57/90/79/556579079.db2.gz	LSMSCMWDTHBSPU-UHFFFAOYSA-N	-2	1	479.558	3.715	50	0		JHAAML
CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C(C)C)cc2)CC1	ZINC000032961843	556579441	/nfs/dbraw/zinc/57/94/41/556579441.db2.gz	MOWMQCSQVLUGBF-UHFFFAOYSA-N	-2	1	475.567	3.588	50	0		JHAAML
O=C([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1	ZINC000032961912	556579647	/nfs/dbraw/zinc/57/96/47/556579647.db2.gz	VPDRHBJIZXFVOW-UHFFFAOYSA-N	-2	1	491.491	3.930	50	0		JHAAML
COc1ccccc1N1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccc(F)c2)CC1	ZINC000032961928	556580029	/nfs/dbraw/zinc/58/00/29/556580029.db2.gz	GNJMWJOOGGLGSL-UHFFFAOYSA-N	-2	1	485.537	3.660	50	0		JHAAML
CCCn1nc(C)cc1CN(C)c1ncc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)[O-]	ZINC000064843560	569638200	/nfs/dbraw/zinc/63/82/00/569638200.db2.gz	ZYWIORMRCMAKTI-UHFFFAOYSA-N	-2	1	487.582	3.531	50	0		JHAAML
CCOC(=O)C1CCN(c2ncc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2C(=O)[O-])CC1	ZINC000035397409	569688130	/nfs/dbraw/zinc/68/81/30/569688130.db2.gz	MPAFSNCRNRAERS-UHFFFAOYSA-N	-2	1	489.594	3.559	50	0		JHAAML
CCn1nc(C)c(CCN(C)c2ncc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2C(=O)[O-])c1C	ZINC000035397867	569688619	/nfs/dbraw/zinc/68/86/19/569688619.db2.gz	ORFADACTKWUSHL-UHFFFAOYSA-N	-2	1	485.610	3.710	50	0		JHAAML