smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000004172123	194382545	/nfs/dbraw/zinc/38/25/45/194382545.db2.gz	YOIPRVFBDLXVCK-XLNZFTOWSA-N	-2	3	464.518	5.151	40	10		JKCBHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Sc3nc4ccccc4s3)c([O-])c3ccccc23)c1	ZINC000006142732	524194949	/nfs/dbraw/zinc/19/49/49/524194949.db2.gz	DXIXXRRFNFXDBC-UHFFFAOYSA-N	-2	3	492.647	6.724	40	10		JKCBHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3c(O)ccc4ccccc43)c([O-])c3ccccc23)cc1C	ZINC000008857543	554754028	/nfs/dbraw/zinc/75/40/28/554754028.db2.gz	JICHHLJDXSBDRA-UHFFFAOYSA-N	-2	3	483.589	6.797	40	10		JKCBHL
O=S(=O)([N-]c1cc(-c2c(O)ccc3ccccc32)c([O-])c2ccccc12)c1ccc2ccccc2c1	ZINC000008871911	554767772	/nfs/dbraw/zinc/76/77/72/554767772.db2.gz	MIGUZJSYMQXXFS-UHFFFAOYSA-N	-2	3	491.568	7.025	40	10		JKCBHL
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000224605482	569950347	/nfs/dbraw/zinc/95/03/47/569950347.db2.gz	HKXOCOKTVGYSCK-DQEYMECFSA-N	-2	3	484.581	5.070	40	10		JKCBHL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000001062504	194012737	/nfs/dbraw/zinc/01/27/37/194012737.db2.gz	WWNZEBNZUMPJOU-WZOHSFFVSA-N	-2	3	495.000	5.974	40	10		JKCBHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1	ZINC000002488563	194161738	/nfs/dbraw/zinc/16/17/38/194161738.db2.gz	CTTOGPAAVKCXEG-GLDPYIMESA-N	-2	3	464.518	5.151	40	10		JKCBHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)cc1	ZINC000004003784	194368710	/nfs/dbraw/zinc/36/87/10/194368710.db2.gz	MWEYHDKJOXNCAC-PPJWLVRDSA-N	-2	3	490.581	5.411	40	10		JKCBHL
O=C([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000004172132	194382443	/nfs/dbraw/zinc/38/24/43/194382443.db2.gz	BJRUZKFQSVVMNX-YZUZCNPQSA-N	-2	3	464.518	5.151	40	10		JKCBHL
CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000058846194	195381501	/nfs/dbraw/zinc/38/15/01/195381501.db2.gz	FZSNXKBQYZZNBQ-UNVFRBQDSA-N	-2	3	474.582	5.575	40	10		JKCBHL
O=C([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2[C@H]2C=CC[C@H]21	ZINC000058847482	195382992	/nfs/dbraw/zinc/38/29/92/195382992.db2.gz	MNLBZFVHIOYZTC-GLDPYIMESA-N	-2	3	480.973	5.666	40	10		JKCBHL
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(=O)[O-])cc4)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058849891	195384569	/nfs/dbraw/zinc/38/45/69/195384569.db2.gz	RWRIVQHWIPYHBV-SGIRGMQISA-N	-2	3	476.554	5.021	40	10		JKCBHL
[O-]c1ccc2ccccc2c1[C@H]1OC[C@@H]2[C@H](c3ccccc3)O[C@@H](c3c([O-])ccc4ccccc43)N12	ZINC000005080564	554486262	/nfs/dbraw/zinc/48/62/62/554486262.db2.gz	SICXCYIEZLITKY-ZGYHLWMKSA-N	-2	3	475.544	6.574	40	10		JKCBHL
CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000009499960	555284705	/nfs/dbraw/zinc/28/47/05/555284705.db2.gz	MKHNEAQWPHFKIP-XJUOHMSHSA-N	-2	3	499.350	5.149	40	10		JKCBHL
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)cc1Cl	ZINC000013361793	555387346	/nfs/dbraw/zinc/38/73/46/555387346.db2.gz	QBVBLWYQYUIBEE-BPYKYCOYSA-N	-2	3	495.000	5.974	40	10		JKCBHL
CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc(Cl)cc(Cl)c1[O-]	ZINC000013787740	555619790	/nfs/dbraw/zinc/61/97/90/555619790.db2.gz	PROHNLRRZLTDRT-FUDKSRODSA-N	-2	3	499.350	5.149	40	10		JKCBHL
CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000013805827	555623347	/nfs/dbraw/zinc/62/33/47/555623347.db2.gz	MKHNEAQWPHFKIP-FUDKSRODSA-N	-2	3	499.350	5.149	40	10		JKCBHL
CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc(Cl)cc(Cl)c1[O-]	ZINC000101181685	569786340	/nfs/dbraw/zinc/78/63/40/569786340.db2.gz	PROHNLRRZLTDRT-GIWBLDEGSA-N	-2	3	499.350	5.149	40	10		JKCBHL
[O-]c1ccc2ccccc2c1[C@H]1OC[C@H]2[C@@H](c3ccccc3)O[C@@H](c3c([O-])ccc4ccccc43)N12	ZINC000104108709	569841086	/nfs/dbraw/zinc/84/10/86/569841086.db2.gz	SICXCYIEZLITKY-ZWZQZIPJSA-N	-2	3	475.544	6.574	40	10		JKCBHL
CCCc1nc(SC(=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)[O-])n[n-]1	ZINC000408631534	569983121	/nfs/dbraw/zinc/98/31/21/569983121.db2.gz	KBXVPCHNOQBXKC-BOPFTXTBSA-N	-2	3	461.385	5.145	40	10		JKCBHL
Cc1ccc2ccc([C@@H](Nc3ccccc3C(=O)[O-])c3ccc(Cl)cc3Cl)c([O-])c2n1	ZINC000409331002	570204206	/nfs/dbraw/zinc/20/42/06/570204206.db2.gz	DCVVASYRGWWFDB-QFIPXVFZSA-N	-2	3	453.325	6.455	40	10		JKCBHL
Cc1ccc2nc(-c3cc(Br)ccc3[O-])c(-c3cc(Br)ccc3[O-])nc2c1	ZINC000001655676	194130983	/nfs/dbraw/zinc/13/09/83/194130983.db2.gz	UCAFDJTZBWQKDS-UHFFFAOYSA-N	-2	3	486.163	6.208	40	10		JKCBHL
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)[O-])N3)cc1	ZINC000058846045	195381397	/nfs/dbraw/zinc/38/13/97/195381397.db2.gz	ZZBHUGZSLKXTTQ-DFIYOIEZSA-N	-2	3	460.555	5.321	40	10		JKCBHL
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)[O-])N3)c(C)c1	ZINC000058846294	195381678	/nfs/dbraw/zinc/38/16/78/195381678.db2.gz	SSCFIWXURMFRQJ-UNVFRBQDSA-N	-2	3	474.582	5.629	40	10		JKCBHL
CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)[O-])N3)cc1	ZINC000058846879	195382547	/nfs/dbraw/zinc/38/25/47/195382547.db2.gz	QAMZWXPCOGJYIE-XXAUWVGASA-N	-2	3	488.609	6.136	40	10		JKCBHL
O=C([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[C@H]2C=CC[C@H]21	ZINC000058847622	195382909	/nfs/dbraw/zinc/38/29/09/195382909.db2.gz	ORIFTFHUBIWHTH-GLDPYIMESA-N	-2	3	480.973	5.666	40	10		JKCBHL
Cc1c(C)n(-c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc(Cl)c2[O-])c2ccccc12	ZINC000016779686	525677405	/nfs/dbraw/zinc/67/74/05/525677405.db2.gz	NAFCXMRNANFYLD-UHFFFAOYSA-N	-2	3	461.370	6.061	40	10		JKCBHL
O=C([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000016545042	526383925	/nfs/dbraw/zinc/38/39/25/526383925.db2.gz	CTPFNZRVWWGLTP-VYKTZEHYSA-N	-2	3	496.588	6.165	40	10		JKCBHL
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000009805189	555517004	/nfs/dbraw/zinc/51/70/04/555517004.db2.gz	XMSOHUHYGBUPGX-BPYKYCOYSA-N	-2	3	495.000	5.974	40	10		JKCBHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000014165933	555718408	/nfs/dbraw/zinc/71/84/08/555718408.db2.gz	RZLFHANSYZQZRC-CZSZKKDXSA-N	-2	3	460.555	5.321	40	10		JKCBHL
[O-]c1c(Cl)cc(Cl)c(Cl)c1CNCCNCc1c([O-])c(Cl)cc(Cl)c1Cl	ZINC000019366525	556346284	/nfs/dbraw/zinc/34/62/84/556346284.db2.gz	LABARNRANBXRQE-UHFFFAOYSA-N	-2	3	479.018	5.898	40	10		JKCBHL
CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc2c(c1[O-])CN([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O	ZINC000036378940	560086745	/nfs/dbraw/zinc/08/67/45/560086745.db2.gz	LTEYADKCUWEHSA-TUJGGSLHSA-N	-3	3	499.604	5.333	40	10	biogenic,in-vitro	JKCBHL
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(Cl)cc(Cl)c2[O-])c(C)c1	ZINC000100899144	569774693	/nfs/dbraw/zinc/77/46/93/569774693.db2.gz	CBAPORZLOWXHFY-FUDKSRODSA-N	-2	3	483.351	5.367	40	10		JKCBHL
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(Cl)cc(Cl)c2[O-])c(C)c1	ZINC000100899147	569774748	/nfs/dbraw/zinc/77/47/48/569774748.db2.gz	CBAPORZLOWXHFY-XPNTWCBSSA-N	-2	3	483.351	5.367	40	10		JKCBHL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1	ZINC000100931047	569776263	/nfs/dbraw/zinc/77/62/63/569776263.db2.gz	NGDCVBRKDCVFFH-HZHRSRAPSA-N	-2	3	480.977	5.168	40	10		JKCBHL
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1C(=O)[O-]	ZINC000224605229	569950340	/nfs/dbraw/zinc/95/03/40/569950340.db2.gz	BQUXRPKHLNJVRS-LOSJGSFVSA-N	-2	3	484.581	5.070	40	10		JKCBHL
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000224605553	569950366	/nfs/dbraw/zinc/95/03/66/569950366.db2.gz	GHLIRIQBNDZQBD-JWQCQUIFSA-N	-2	3	484.581	5.070	40	10		JKCBHL
O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)ccc1[O-]	ZINC000408949428	570083830	/nfs/dbraw/zinc/08/38/30/570083830.db2.gz	IBITVLJTZCUEMW-SSDVNMTOSA-N	-2	3	476.960	5.180	40	10		JKCBHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1	ZINC000002483082	194161769	/nfs/dbraw/zinc/16/17/69/194161769.db2.gz	MKHLHZXTUGWPHE-YZUZCNPQSA-N	-2	3	480.973	5.666	40	10		JKCBHL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000058847987	195383220	/nfs/dbraw/zinc/38/32/20/195383220.db2.gz	XFVFGLWOKZRYED-ATLLOTDBSA-N	-2	3	495.000	5.974	40	10		JKCBHL
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)[O-])N3)cc1	ZINC000058848538	195383729	/nfs/dbraw/zinc/38/37/29/195383729.db2.gz	AODXHHSXFOKBJD-DFIYOIEZSA-N	-2	3	476.554	5.021	40	10		JKCBHL
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc2[C@H]2C=CC[C@H]21	ZINC000058849880	195384663	/nfs/dbraw/zinc/38/46/63/195384663.db2.gz	IHLAFYYJFNROBK-DFIYOIEZSA-N	-2	3	476.554	5.021	40	10		JKCBHL
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(=O)[O-])cc4)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058849895	195384726	/nfs/dbraw/zinc/38/47/26/195384726.db2.gz	GZAQBMZCAOSYTQ-PPJWLVRDSA-N	-2	3	490.581	5.411	40	10		JKCBHL
O=S(=O)([N-]c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1	ZINC000000879718	553816140	/nfs/dbraw/zinc/81/61/40/553816140.db2.gz	DLLIUKVZTGPDNS-UHFFFAOYSA-N	-2	3	488.590	5.595	40	10		JKCBHL
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)c1	ZINC000013361790	555387319	/nfs/dbraw/zinc/38/73/19/555387319.db2.gz	DEJADAAAWGTQCI-VVZHRXSXSA-N	-2	3	474.582	5.629	40	10		JKCBHL
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000020033645	555608701	/nfs/dbraw/zinc/60/87/01/555608701.db2.gz	XMSOHUHYGBUPGX-WATLYSKOSA-N	-2	3	495.000	5.974	40	10		JKCBHL
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000016347728	556136019	/nfs/dbraw/zinc/13/60/19/556136019.db2.gz	VCDDGTSHJBIEQC-BPYKYCOYSA-N	-2	3	495.000	5.974	40	10		JKCBHL
CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc2c(c1[O-])CN([C@H](CCC(=O)[O-])C(=O)[O-])C2=O	ZINC000036378942	560086753	/nfs/dbraw/zinc/08/67/53/560086753.db2.gz	LTEYADKCUWEHSA-GTKYNLLOSA-N	-3	3	499.604	5.333	40	10	biogenic,in-vitro	JKCBHL
CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc(Cl)cc(Cl)c1[O-]	ZINC000035843242	569714439	/nfs/dbraw/zinc/71/44/39/569714439.db2.gz	PROHNLRRZLTDRT-XPNTWCBSSA-N	-2	3	499.350	5.149	40	10		JKCBHL
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cc(Cl)cc(Cl)c1[O-]	ZINC000102761845	569822347	/nfs/dbraw/zinc/82/23/47/569822347.db2.gz	NGSZVKITUOELLM-DYXWJJEUSA-N	-2	3	489.742	5.404	40	10		JKCBHL
O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1cc(Cl)cc(Cl)c1[O-]	ZINC000102765171	569822785	/nfs/dbraw/zinc/82/27/85/569822785.db2.gz	DWROTSDKPAMJAG-DYXWJJEUSA-N	-2	3	489.742	5.404	40	10		JKCBHL
Cn1c2ccccc2c([O-])c(C2=Nc3ccccc3N[C@H](c3c([O-])ccc4ccccc43)C2)c1=O	ZINC000104827562	569846499	/nfs/dbraw/zinc/84/64/99/569846499.db2.gz	PCFKBIHZBXCDRY-QFIPXVFZSA-N	-2	3	461.521	5.781	40	10		JKCBHL
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000224605651	569950338	/nfs/dbraw/zinc/95/03/38/569950338.db2.gz	GHLIRIQBNDZQBD-LOSJGSFVSA-N	-2	3	484.581	5.070	40	10		JKCBHL
O=C1/C(=C/c2cc(Br)c([O-])c(Br)c2[O-])SC(=S)N1c1ccccc1	ZINC000408730653	570029059	/nfs/dbraw/zinc/02/90/59/570029059.db2.gz	GUKHNPMJGDXSIE-XFFZJAGNSA-N	-2	3	487.194	5.029	40	10		JKCBHL
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)SC2=S)c(Cl)c1	ZINC000409218367	570173577	/nfs/dbraw/zinc/17/35/77/570173577.db2.gz	UPSWJONEAKRQLV-YBFXNURJSA-N	-2	3	498.969	5.153	40	10		JKCBHL
Cc1ccc(NC(=O)c2cc([O-])c(NN=C3C=C(S(=O)(=O)[O-])C=CC3=O)c3ccccc23)c(C)c1	ZINC000299888455	570177897	/nfs/dbraw/zinc/17/78/97/570177897.db2.gz	JZQONTDEAKNNEP-UHFFFAOYSA-N	-2	3	491.525	5.782	40	10		JKCBHL
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)cc1	ZINC000004149935	194381595	/nfs/dbraw/zinc/38/15/95/194381595.db2.gz	UJLSMINJLZJZEX-SGIRGMQISA-N	-2	3	476.554	5.021	40	10		JKCBHL
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)[O-])N3)c1	ZINC000058846411	195381807	/nfs/dbraw/zinc/38/18/07/195381807.db2.gz	FZDQWXHCYZWJJD-UNVFRBQDSA-N	-2	3	474.582	5.629	40	10		JKCBHL
CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)[O-])N3)cc1	ZINC000058848682	195383934	/nfs/dbraw/zinc/38/39/34/195383934.db2.gz	RYZFZSAPASOBEE-UZINWLIJSA-N	-2	3	490.581	5.411	40	10		JKCBHL
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(=O)[O-])cc4)cc3[C@H]3C=CC[C@H]32)c1	ZINC000058849851	195384616	/nfs/dbraw/zinc/38/46/16/195384616.db2.gz	IJECRNJNOKJVOH-VRUMLPLGSA-N	-2	3	474.582	5.629	40	10		JKCBHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)cc1	ZINC000058849859	195384737	/nfs/dbraw/zinc/38/47/37/195384737.db2.gz	GYYLZMQUHYXZDG-GLDPYIMESA-N	-2	3	480.973	5.666	40	10		JKCBHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)cc1	ZINC000058850334	195385413	/nfs/dbraw/zinc/38/54/13/195385413.db2.gz	PHKZQZAEBSZRCP-RHGYRFJNSA-N	-2	3	498.963	5.805	40	10		JKCBHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1	ZINC000102786276	130303082	/nfs/dbraw/zinc/30/30/82/130303082.db2.gz	MNBSQJFMUFSHGX-JLPGSUDCSA-N	-2	3	474.586	5.131	40	10		JKCBHL
Cc1c(C)n(-c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc(Cl)c2[O-])c2ccccc12	ZINC000016779690	525677173	/nfs/dbraw/zinc/67/71/73/525677173.db2.gz	ZECOSGGDZOKUNT-UHFFFAOYSA-N	-2	3	471.922	5.315	40	10		JKCBHL
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(Cl)cc(Cl)c2[O-])c(C)c1	ZINC000009498735	555283423	/nfs/dbraw/zinc/28/34/23/555283423.db2.gz	CBAPORZLOWXHFY-XJUOHMSHSA-N	-2	3	483.351	5.367	40	10		JKCBHL
COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)c1	ZINC000013151544	555359095	/nfs/dbraw/zinc/35/90/95/555359095.db2.gz	SOAFFYNTNJRBTG-SGIRGMQISA-N	-2	3	476.554	5.021	40	10		JKCBHL
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000014166010	555718738	/nfs/dbraw/zinc/71/87/38/555718738.db2.gz	XMSOHUHYGBUPGX-CZSZKKDXSA-N	-2	3	495.000	5.974	40	10		JKCBHL
CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000101212917	569787306	/nfs/dbraw/zinc/78/73/06/569787306.db2.gz	MKHNEAQWPHFKIP-XPNTWCBSSA-N	-2	3	499.350	5.149	40	10		JKCBHL
Cn1c2ccccc2c([O-])c(C2=Nc3ccccc3N[C@@H](c3c([O-])ccc4ccccc43)C2)c1=O	ZINC000104827567	569846522	/nfs/dbraw/zinc/84/65/22/569846522.db2.gz	PCFKBIHZBXCDRY-JOCHJYFZSA-N	-2	3	461.521	5.781	40	10		JKCBHL
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1C(=O)[O-]	ZINC000224605276	569950308	/nfs/dbraw/zinc/95/03/08/569950308.db2.gz	BQUXRPKHLNJVRS-DQEYMECFSA-N	-2	3	484.581	5.070	40	10		JKCBHL
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000224608833	569950564	/nfs/dbraw/zinc/95/05/64/569950564.db2.gz	WKCIDWOORMGXGZ-IZZNHLLZSA-N	-2	3	498.608	5.378	40	10		JKCBHL
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)SC2=S)c(Cl)c1	ZINC000409209440	570168759	/nfs/dbraw/zinc/16/87/59/570168759.db2.gz	GZWLBOMBJDHABW-ODLFYWEKSA-N	-2	3	498.969	5.153	40	10		JKCBHL
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1	ZINC000408527790	570186561	/nfs/dbraw/zinc/18/65/61/570186561.db2.gz	GJWTYCIAUUBSME-HAHDFKILSA-N	-2	3	495.004	5.476	40	10		JKCBHL
Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)[O-])N3)c1	ZINC000058845895	195381163	/nfs/dbraw/zinc/38/11/63/195381163.db2.gz	ZRTSQBILZHVGDC-DFIYOIEZSA-N	-2	3	460.555	5.321	40	10		JKCBHL
CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000058846144	195381408	/nfs/dbraw/zinc/38/14/08/195381408.db2.gz	KDGNKCIMNGOGLV-VVZHRXSXSA-N	-2	3	474.582	5.575	40	10		JKCBHL
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)[O-])N3)c1	ZINC000058846738	195381995	/nfs/dbraw/zinc/38/19/95/195381995.db2.gz	JERWZOQRVYVQLX-UZINWLIJSA-N	-2	3	474.582	5.629	40	10		JKCBHL
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)[O-])N3)cc1C	ZINC000058846594	195382218	/nfs/dbraw/zinc/38/22/18/195382218.db2.gz	WEQADVPQAWVENV-UZINWLIJSA-N	-2	3	474.582	5.629	40	10		JKCBHL
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000058848098	195383335	/nfs/dbraw/zinc/38/33/35/195383335.db2.gz	NJZXYIQRRXGNDH-CEYNDMKZSA-N	-2	3	495.000	5.974	40	10		JKCBHL
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)[O-])N3)cc1Cl	ZINC000058848270	195383750	/nfs/dbraw/zinc/38/37/50/195383750.db2.gz	JUNJOZUHMXGEPQ-CEYNDMKZSA-N	-2	3	495.000	5.974	40	10		JKCBHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1	ZINC000058849854	195384564	/nfs/dbraw/zinc/38/45/64/195384564.db2.gz	YVHMLQTUSVWPKK-YZUZCNPQSA-N	-2	3	464.518	5.151	40	10		JKCBHL
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(=O)[O-])cc4)cc3[C@H]3C=CC[C@H]32)c1	ZINC000058849886	195384790	/nfs/dbraw/zinc/38/47/90/195384790.db2.gz	AOVKFWHQYRJSFJ-SGIRGMQISA-N	-2	3	476.554	5.021	40	10		JKCBHL
O=C([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2[C@H]2C=CC[C@H]21	ZINC000058850128	195385063	/nfs/dbraw/zinc/38/50/63/195385063.db2.gz	VWHCPOBTDVGGRK-TYPXCFOJSA-N	-2	3	496.588	6.165	40	10		JKCBHL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)c(Cl)c1[O-]	ZINC000059139132	195392512	/nfs/dbraw/zinc/39/25/12/195392512.db2.gz	OPGWTIMVRDTCHZ-JXMROGBWSA-N	-2	3	499.745	5.018	40	10		JKCBHL
Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)c1	ZINC000004149930	524692359	/nfs/dbraw/zinc/69/23/59/524692359.db2.gz	HRSRIHYHMPVJRL-SGIRGMQISA-N	-2	3	460.555	5.321	40	10		JKCBHL
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)cc1C	ZINC000020033725	555609294	/nfs/dbraw/zinc/60/92/94/555609294.db2.gz	XCBONKHCCRJMNW-PPJWLVRDSA-N	-2	3	474.582	5.629	40	10		JKCBHL
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(Cl)cc(Cl)c2[O-])c(C)c1	ZINC000013805566	555623377	/nfs/dbraw/zinc/62/33/77/555623377.db2.gz	CBAPORZLOWXHFY-GIWBLDEGSA-N	-2	3	483.351	5.367	40	10		JKCBHL
[O-]c1ccc2ccccc2c1[C@H]1OC[C@@H]2[C@@H](c3ccccc3)O[C@@H](c3c([O-])ccc4ccccc43)N21	ZINC000031946912	556412048	/nfs/dbraw/zinc/41/20/48/556412048.db2.gz	SICXCYIEZLITKY-FFYRRMKRSA-N	-2	3	475.544	6.574	40	10		JKCBHL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1	ZINC000100931048	569776323	/nfs/dbraw/zinc/77/63/23/569776323.db2.gz	UETJZXCKWPWXPP-HZHRSRAPSA-N	-2	3	480.977	5.168	40	10		JKCBHL
CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000101212911	569787266	/nfs/dbraw/zinc/78/72/66/569787266.db2.gz	MKHNEAQWPHFKIP-GIWBLDEGSA-N	-2	3	499.350	5.149	40	10		JKCBHL
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cc(Cl)cc(Cl)c1[O-]	ZINC000102761841	569822336	/nfs/dbraw/zinc/82/23/36/569822336.db2.gz	NGSZVKITUOELLM-ZJOUEHCJSA-N	-2	3	489.742	5.404	40	10		JKCBHL
COc1ccc(N[C@@H](CC(=O)c2c([O-])c3ccccc3n(C)c2=O)c2c([O-])ccc3ccccc32)cc1	ZINC000104827735	569846561	/nfs/dbraw/zinc/84/65/61/569846561.db2.gz	OOWLJODKLCRGAD-QHCPKHFHSA-N	-2	3	494.547	5.538	40	10		JKCBHL
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000224605604	569950320	/nfs/dbraw/zinc/95/03/20/569950320.db2.gz	GHLIRIQBNDZQBD-RPBOFIJWSA-N	-2	3	484.581	5.070	40	10		JKCBHL
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1C(=O)[O-]	ZINC000224605177	569950325	/nfs/dbraw/zinc/95/03/25/569950325.db2.gz	BQUXRPKHLNJVRS-RPBOFIJWSA-N	-2	3	484.581	5.070	40	10		JKCBHL
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000224605340	569950344	/nfs/dbraw/zinc/95/03/44/569950344.db2.gz	HKXOCOKTVGYSCK-JWQCQUIFSA-N	-2	3	484.581	5.070	40	10		JKCBHL
CCCc1nc(SC(=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)[O-])n[n-]1	ZINC000408631522	569983119	/nfs/dbraw/zinc/98/31/19/569983119.db2.gz	JYYXRDIOXAOKDF-MFOYZWKCSA-N	-2	3	451.379	5.689	40	10		JKCBHL
Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1ccc(O)c(C(=O)[O-])c1	ZINC000408529913	570187305	/nfs/dbraw/zinc/18/73/05/570187305.db2.gz	KMFBLWRTNNIGLI-IWIPYMOSSA-N	-2	3	471.557	5.277	40	10		JKCBHL
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000058846471	195381658	/nfs/dbraw/zinc/38/16/58/195381658.db2.gz	ORDHKUKMWWDFAJ-VVZHRXSXSA-N	-2	3	474.582	5.629	40	10		JKCBHL
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)c1	ZINC000058846684	195382189	/nfs/dbraw/zinc/38/21/89/195382189.db2.gz	JXTBVQBHIIHHAG-PPJWLVRDSA-N	-2	3	474.582	5.629	40	10		JKCBHL
O=C([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2[C@H]2C=CC[C@H]21	ZINC000058847047	195382419	/nfs/dbraw/zinc/38/24/19/195382419.db2.gz	LXNJKSMSWUMNIR-SRGWNRLKSA-N	-2	3	464.518	5.151	40	10		JKCBHL
O=C([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058847438	195382677	/nfs/dbraw/zinc/38/26/77/195382677.db2.gz	YMJDXTDXWKRYKE-YZUZCNPQSA-N	-2	3	480.973	5.666	40	10		JKCBHL
O=C([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2[C@H]2C=CC[C@H]21	ZINC000058847177	195382818	/nfs/dbraw/zinc/38/28/18/195382818.db2.gz	NNADHJWEUKRJRO-GLDPYIMESA-N	-2	3	464.518	5.151	40	10		JKCBHL
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(=O)[O-])cc4)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058849842	195384674	/nfs/dbraw/zinc/38/46/74/195384674.db2.gz	DSEPWWAPMGJSQD-SGIRGMQISA-N	-2	3	460.555	5.321	40	10		JKCBHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)cc1	ZINC000058849864	195384691	/nfs/dbraw/zinc/38/46/91/195384691.db2.gz	PAPPRQYNULCGRQ-YZUZCNPQSA-N	-2	3	480.973	5.666	40	10		JKCBHL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)c1	ZINC000016160828	520897425	/nfs/dbraw/zinc/89/74/25/520897425.db2.gz	QTPGRYUEJAIWEX-MFYXSQMNSA-N	-2	3	476.540	5.124	40	10		JKCBHL
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(-n3c(C)c(C)c4ccccc43)c2)cc1	ZINC000016779684	525078884	/nfs/dbraw/zinc/07/88/84/525078884.db2.gz	ASQZPTDSBADOHQ-UHFFFAOYSA-N	-2	3	456.951	5.416	40	10		JKCBHL
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)c(C)c1	ZINC000016284978	525303732	/nfs/dbraw/zinc/30/37/32/525303732.db2.gz	ANRGVJNHFLVTQT-VVZHRXSXSA-N	-2	3	474.582	5.629	40	10		JKCBHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000009804740	555516347	/nfs/dbraw/zinc/51/63/47/555516347.db2.gz	RZLFHANSYZQZRC-BPYKYCOYSA-N	-2	3	460.555	5.321	40	10		JKCBHL
Cc1[n-][nH]c(=O)c1C(c1cc(C)n(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1C)c1c(C)[n-][nH]c1=O	ZINC000014134632	555702776	/nfs/dbraw/zinc/70/27/76/555702776.db2.gz	BJBUDQHGOZUIDV-UHFFFAOYSA-N	-2	3	498.543	5.324	40	10		JKCBHL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000014165929	555718366	/nfs/dbraw/zinc/71/83/66/555718366.db2.gz	WWNZEBNZUMPJOU-RNHFSVANSA-N	-2	3	495.000	5.974	40	10		JKCBHL
Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)cc(C(C)C)c([O-])c1S(=O)(=O)c1ccccc1	ZINC000026786830	556262942	/nfs/dbraw/zinc/26/29/42/556262942.db2.gz	ZQGFUXPLNQZWAV-UHFFFAOYSA-N	-2	3	480.007	5.111	40	10		JKCBHL
O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1cc(Cl)cc(Cl)c1[O-]	ZINC000102765165	569822837	/nfs/dbraw/zinc/82/28/37/569822837.db2.gz	DWROTSDKPAMJAG-ZJOUEHCJSA-N	-2	3	489.742	5.404	40	10		JKCBHL
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000224605440	569950317	/nfs/dbraw/zinc/95/03/17/569950317.db2.gz	HKXOCOKTVGYSCK-LOSJGSFVSA-N	-2	3	484.581	5.070	40	10		JKCBHL
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000224608879	569950581	/nfs/dbraw/zinc/95/05/81/569950581.db2.gz	WKCIDWOORMGXGZ-UIOOFZCWSA-N	-2	3	498.608	5.378	40	10		JKCBHL
CCCc1nc(SC(=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)[O-])n[n-]1	ZINC000408633345	569984433	/nfs/dbraw/zinc/98/44/33/569984433.db2.gz	XUUYUJMCUAXEQJ-KQWNVCNZSA-N	-2	3	458.587	6.050	40	10		JKCBHL
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cc(Cl)c([O-])c(Cl)c3)SC2=S)c(Cl)c1	ZINC000409160377	570151777	/nfs/dbraw/zinc/15/17/77/570151777.db2.gz	HNPOTIOKSDYZBP-AUWJEWJLSA-N	-2	3	473.790	5.207	40	10		JKCBHL
CC1(C)C=CC(C)(C)c2c([N-]S(=O)(=O)c3ccccc3)ccc([N-]S(=O)(=O)c3ccccc3)c21	ZINC000001727949	194132191	/nfs/dbraw/zinc/13/21/91/194132191.db2.gz	DVYVRPXBKYPNNB-UHFFFAOYSA-N	-2	3	496.654	5.413	40	10		JKCBHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000058845780	195381192	/nfs/dbraw/zinc/38/11/92/195381192.db2.gz	IBIDUOMURKWELG-CEYNDMKZSA-N	-2	3	460.555	5.321	40	10		JKCBHL
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000058846505	195381617	/nfs/dbraw/zinc/38/16/17/195381617.db2.gz	KGIWIEZOBCZCDO-UNVFRBQDSA-N	-2	3	474.582	5.629	40	10		JKCBHL
CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)cc1	ZINC000058846833	195382104	/nfs/dbraw/zinc/38/21/04/195382104.db2.gz	AVIQAPMVOKZUTA-CLCZQPDDSA-N	-2	3	488.609	6.136	40	10		JKCBHL
O=C([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058847573	195382963	/nfs/dbraw/zinc/38/29/63/195382963.db2.gz	NVLRNXIQQUGGMU-YZUZCNPQSA-N	-2	3	480.973	5.666	40	10		JKCBHL
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000058848191	195383681	/nfs/dbraw/zinc/38/36/81/195383681.db2.gz	CAAAWQIAPVLVQD-CEYNDMKZSA-N	-2	3	495.000	5.974	40	10		JKCBHL
COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)[O-])N3)c1	ZINC000058848872	195384094	/nfs/dbraw/zinc/38/40/94/195384094.db2.gz	GLGPLXJLPNSHDD-DFIYOIEZSA-N	-2	3	476.554	5.021	40	10		JKCBHL
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(=O)[O-])cc4)cc3[C@H]3C=CC[C@H]32)c1	ZINC000058849846	195384721	/nfs/dbraw/zinc/38/47/21/195384721.db2.gz	KSMXOQIPIIMECQ-SGIRGMQISA-N	-2	3	460.555	5.321	40	10		JKCBHL
O=S(=O)([N-]c1cc(Cl)c([N-]S(=O)(=O)c2ccccc2)c2ccccc12)c1ccccc1	ZINC000001583202	553979547	/nfs/dbraw/zinc/97/95/47/553979547.db2.gz	UQUFWSDPPOEEPU-UHFFFAOYSA-N	-2	3	472.975	5.095	40	10		JKCBHL
[O-]c1ccc2ccccc2c1[C@H]1OC[C@H]2[C@H](c3ccccc3)O[C@@H](c3c([O-])ccc4ccccc43)N12	ZINC000005080562	554486277	/nfs/dbraw/zinc/48/62/77/554486277.db2.gz	SICXCYIEZLITKY-ZEWQTRQVSA-N	-2	3	475.544	6.574	40	10		JKCBHL
Cc1ccc(NC(=O)C2=Cc3ccccc3C(=NNc3cc(S(=O)(=O)[O-])ccc3[O-])C2=O)c(C)c1	ZINC000012359973	555956777	/nfs/dbraw/zinc/95/67/77/555956777.db2.gz	LZBFYQQOKGIGIS-DQSJHHFOSA-N	-2	3	491.525	5.782	40	10		JKCBHL
CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc(Cl)cc(Cl)c1[O-]	ZINC000101181688	569786293	/nfs/dbraw/zinc/78/62/93/569786293.db2.gz	PROHNLRRZLTDRT-XJUOHMSHSA-N	-2	3	499.350	5.149	40	10		JKCBHL
COc1ccc(N[C@H](CC(=O)c2c([O-])c3ccccc3n(C)c2=O)c2c([O-])ccc3ccccc32)cc1	ZINC000104827737	569846578	/nfs/dbraw/zinc/84/65/78/569846578.db2.gz	OOWLJODKLCRGAD-HSZRJFAPSA-N	-2	3	494.547	5.538	40	10		JKCBHL
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000224605390	569950329	/nfs/dbraw/zinc/95/03/29/569950329.db2.gz	HKXOCOKTVGYSCK-RPBOFIJWSA-N	-2	3	484.581	5.070	40	10		JKCBHL
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1C(=O)[O-]	ZINC000224605122	569950355	/nfs/dbraw/zinc/95/03/55/569950355.db2.gz	BQUXRPKHLNJVRS-JWQCQUIFSA-N	-2	3	484.581	5.070	40	10		JKCBHL
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000224605693	569950412	/nfs/dbraw/zinc/95/04/12/569950412.db2.gz	GHLIRIQBNDZQBD-DQEYMECFSA-N	-2	3	484.581	5.070	40	10		JKCBHL
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000224608788	569950515	/nfs/dbraw/zinc/95/05/15/569950515.db2.gz	WKCIDWOORMGXGZ-FTJBHMTQSA-N	-2	3	498.608	5.378	40	10		JKCBHL
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000224608739	569950569	/nfs/dbraw/zinc/95/05/69/569950569.db2.gz	WKCIDWOORMGXGZ-CLJLJLNGSA-N	-2	3	498.608	5.378	40	10		JKCBHL
Cc1ccc2ccc([C@H](Nc3ccccc3C(=O)[O-])c3ccc(Cl)cc3Cl)c([O-])c2n1	ZINC000409330998	570204181	/nfs/dbraw/zinc/20/41/81/570204181.db2.gz	DCVVASYRGWWFDB-JOCHJYFZSA-N	-2	3	453.325	6.455	40	10		JKCBHL