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([N-]S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000000704476	506228366	/nfs/dbraw/zinc/22/83/66/506228366.db2.gz	LKXOWYHVOFFRHD-UHFFFAOYSA-N	-2	1	356.197	2.948	50	0		FFAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1	ZINC000012526189	506872909	/nfs/dbraw/zinc/87/29/09/506872909.db2.gz	ZKKJGBBFCBRUPA-UHFFFAOYSA-N	-2	1	360.391	2.534	50	0		FFAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc(C(=O)[O-])c1	ZINC000000953477	203966521	/nfs/dbraw/zinc/96/65/21/203966521.db2.gz	QSKWQJYCXYEJSP-UHFFFAOYSA-N	-3	1	373.745	2.676	50	0		FFAAML
CCCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000034876873	506371566	/nfs/dbraw/zinc/37/15/66/506371566.db2.gz	JBZJRKSELCLMFV-UHFFFAOYSA-N	-2	1	363.391	2.752	50	0		FFAAML
O=C([O-])c1ccc(C=NNC(=O)c2cc(Br)ccc2[O-])cc1	ZINC000252475098	509837744	/nfs/dbraw/zinc/83/77/44/509837744.db2.gz	SPAFPWSNENSQSS-UHFFFAOYSA-N	-2	1	363.167	2.617	50	0		FFAAML
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)c1	ZINC000013090264	204522600	/nfs/dbraw/zinc/52/26/00/204522600.db2.gz	ITOHNXBJOYSLMI-UHFFFAOYSA-N	-2	1	363.391	2.574	50	0		FFAAML
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1OC	ZINC000047318209	206079702	/nfs/dbraw/zinc/07/97/02/206079702.db2.gz	BSPCOUVXTAAMTK-UHFFFAOYSA-N	-2	1	371.798	2.856	50	0		FFAAML
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)c1	ZINC000029339384	507774692	/nfs/dbraw/zinc/77/46/92/507774692.db2.gz	RRKQLFDZSAEGBQ-UHFFFAOYSA-N	-2	1	363.391	2.589	50	0		FFAAML
O=C([O-])c1ccccc1C=NNC(=O)c1cc(Br)ccc1[O-]	ZINC000252498119	509844578	/nfs/dbraw/zinc/84/45/78/509844578.db2.gz	SHRDYAORQWLMLW-UHFFFAOYSA-N	-2	1	363.167	2.617	50	0		FFAAML
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1C	ZINC000040058143	205051444	/nfs/dbraw/zinc/05/14/44/205051444.db2.gz	SRARTTIXXKAEIC-BJMVGYQFSA-N	-2	1	374.418	2.852	50	0		FFAAML
CC(C)(C)O[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000156022910	206222328	/nfs/dbraw/zinc/22/23/28/206222328.db2.gz	CXSNVUGMDVUCLA-MRXNPFEDSA-N	-2	1	356.422	2.996	50	0		FFAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)ccc1Cl	ZINC000012521413	206291758	/nfs/dbraw/zinc/29/17/58/206291758.db2.gz	YDWYWKKCJJFNTM-UHFFFAOYSA-N	-2	1	369.782	2.610	50	0		FFAAML
COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1OC	ZINC000065844515	506377813	/nfs/dbraw/zinc/37/78/13/506377813.db2.gz	XTNRLQBGVZROOW-UHFFFAOYSA-N	-2	1	351.380	2.511	50	0		FFAAML
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnc(N(C)C)c(C(=O)[O-])c1	ZINC000035397742	506381287	/nfs/dbraw/zinc/38/12/87/506381287.db2.gz	LKNHWFKHRSXYOZ-UHFFFAOYSA-N	-2	1	369.830	2.608	50	0		FFAAML
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1	ZINC000006328201	206241474	/nfs/dbraw/zinc/24/14/74/206241474.db2.gz	FZOJIBGDJDDAHR-UHFFFAOYSA-N	-2	1	363.391	2.671	50	0		FFAAML
CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)ccc1F	ZINC000023053508	206399592	/nfs/dbraw/zinc/39/95/92/206399592.db2.gz	UQRAGNCVRWIQRD-UHFFFAOYSA-N	-2	1	366.370	2.592	50	0		FFAAML
COc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1OC	ZINC000060707150	507574941	/nfs/dbraw/zinc/57/49/41/507574941.db2.gz	ILFKSJHOFWXVPY-UHFFFAOYSA-N	-2	1	369.370	2.650	50	0		FFAAML
Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F	ZINC000075613103	508121402	/nfs/dbraw/zinc/12/14/02/508121402.db2.gz	OXSNACNAKRKGIJ-UHFFFAOYSA-N	-2	1	355.391	2.719	50	0		FFAAML
CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000151544751	509040725	/nfs/dbraw/zinc/04/07/25/509040725.db2.gz	QDDYFTRDGXDUMN-ZDUSSCGKSA-N	-2	1	366.421	2.773	50	0		FFAAML
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1	ZINC000003184596	204080654	/nfs/dbraw/zinc/08/06/54/204080654.db2.gz	MPCKNMJFCAXLMU-UHFFFAOYSA-N	-2	1	355.755	2.537	50	0		FFAAML
Cc1ccnn1-c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1	ZINC000058364454	205273069	/nfs/dbraw/zinc/27/30/69/205273069.db2.gz	GSCQLYDQZKGGGT-UHFFFAOYSA-N	-2	1	371.418	2.988	50	0		FFAAML
COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1Cl	ZINC000047202417	206080019	/nfs/dbraw/zinc/08/00/19/206080019.db2.gz	SBNPTLQAZUUFLO-UHFFFAOYSA-N	-2	1	359.762	2.987	50	0		FFAAML
Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)ccc1Br	ZINC000021799387	206361455	/nfs/dbraw/zinc/36/14/55/206361455.db2.gz	DPDPJRWKHVKGNT-UHFFFAOYSA-N	-2	1	359.201	2.585	50	0		FFAAML
O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000002571060	204045202	/nfs/dbraw/zinc/04/52/02/204045202.db2.gz	QCBAODFXUVDXOG-IUCAKERBSA-N	-2	1	371.233	2.658	50	0		FFAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-n1cccn1	ZINC000047991916	206081218	/nfs/dbraw/zinc/08/12/18/206081218.db2.gz	VDSMJODQBZJIMP-UHFFFAOYSA-N	-2	1	357.391	2.680	50	0		FFAAML
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/C(=O)[O-])cc2)c1	ZINC000005557707	204215100	/nfs/dbraw/zinc/21/51/00/204215100.db2.gz	SSZNEZSSPXKHTK-BQYQJAHWSA-N	-2	1	374.418	2.684	50	0		FFAAML
CC1CCN(c2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)CC1	ZINC000071844466	136141256	/nfs/dbraw/zinc/14/12/56/136141256.db2.gz	PFCWVNWBKQNZHX-UHFFFAOYSA-N	-2	1	363.439	2.750	50	0		FFAAML
CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000035336553	506380261	/nfs/dbraw/zinc/38/02/61/506380261.db2.gz	DFNMMSQEDIYTLN-UHFFFAOYSA-N	-2	1	367.354	2.501	50	0		FFAAML
CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])nc([O-])n(C(C)C)c1=O	ZINC000009042440	506680217	/nfs/dbraw/zinc/68/02/17/506680217.db2.gz	GNLQNDLTPGVJGS-KRWDZBQOSA-N	-2	1	368.437	2.684	50	0	biogenic	FFAAML
O=C([O-])[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1	ZINC000049421365	507620491	/nfs/dbraw/zinc/62/04/91/507620491.db2.gz	YGPYZQSMCXBYRR-GFCCVEGCSA-N	-2	1	355.419	2.953	50	0		FFAAML
O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)C(F)(F)F	ZINC000001802363	209392011	/nfs/dbraw/zinc/39/20/11/209392011.db2.gz	MMJIZRQLHKWCBH-ZCFIWIBFSA-N	-2	1	365.782	2.723	50	0		FFAAML
O=C([O-])[C@@]12CN(C(=O)c3ncccc3[O-])C[C@@H]1C[C@@H](c1ccccc1)CC2	ZINC000426408958	513931996	/nfs/dbraw/zinc/93/19/96/513931996.db2.gz	OVMCEAJPNXLIFQ-QYWGDWMGSA-N	-2	1	366.417	2.898	50	0		FFAAML
CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000042791753	209266038	/nfs/dbraw/zinc/26/60/38/209266038.db2.gz	NVWOQIMIJRNJPF-UHFFFAOYSA-N	-2	1	354.815	2.905	50	0		FFAAML
COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1Cl	ZINC000032596921	506268424	/nfs/dbraw/zinc/26/84/24/506268424.db2.gz	JOVRVSVIWWOJRM-UHFFFAOYSA-N	-2	1	359.762	2.987	50	0		FFAAML
O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000003321450	506322527	/nfs/dbraw/zinc/32/25/27/506322527.db2.gz	WEKXURSNKXRWCL-UHFFFAOYSA-N	-2	1	370.224	2.877	50	0		FFAAML
COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c(C(=O)[O-])cc1OC	ZINC000004297040	506369586	/nfs/dbraw/zinc/36/95/86/506369586.db2.gz	KLDPZEDUGBZVJV-UHFFFAOYSA-N	-2	1	351.380	2.511	50	0		FFAAML
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1	ZINC000058377327	507411486	/nfs/dbraw/zinc/41/14/86/507411486.db2.gz	YKHHRDHRHQMOLM-UHFFFAOYSA-N	-2	1	359.762	2.992	50	0		FFAAML
CCC[C@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)c1ccccc1	ZINC000072847614	507861983	/nfs/dbraw/zinc/86/19/83/507861983.db2.gz	PHDGVSUJYHCMBK-ZDUSSCGKSA-N	-2	1	352.394	2.603	50	0		FFAAML
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1	ZINC000042794426	209265544	/nfs/dbraw/zinc/26/55/44/209265544.db2.gz	ZWENTMXMHKSFIX-UHFFFAOYSA-N	-2	1	359.762	2.743	50	0		FFAAML
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1	ZINC000036833355	208173605	/nfs/dbraw/zinc/17/36/05/208173605.db2.gz	KPZJWRILRCGNKF-UHFFFAOYSA-N	-2	1	374.418	2.621	50	0		FFAAML
Cc1cc(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000073615296	507937594	/nfs/dbraw/zinc/93/75/94/507937594.db2.gz	LLHXPYTUVOMBLC-MRXNPFEDSA-N	-2	1	366.421	2.801	50	0		FFAAML
COc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc(C(=O)[O-])c1OC	ZINC000045945856	209327212	/nfs/dbraw/zinc/32/72/12/209327212.db2.gz	JBHGNXXEHLAZFQ-UHFFFAOYSA-N	-2	1	371.798	2.856	50	0		FFAAML
Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCCO3)cc1	ZINC000008710352	207243831	/nfs/dbraw/zinc/24/38/31/207243831.db2.gz	BOFWIZKLTFOHKS-UHFFFAOYSA-N	-2	1	363.391	2.655	50	0		FFAAML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cn2cccn2)cc1C(=O)[O-]	ZINC000040088147	208226090	/nfs/dbraw/zinc/22/60/90/208226090.db2.gz	KLGMYARVUOXICK-UHFFFAOYSA-N	-2	1	371.418	2.739	50	0		FFAAML
COc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1F	ZINC000055682509	506824696	/nfs/dbraw/zinc/82/46/96/506824696.db2.gz	XXZCAFKAMCMXMK-UHFFFAOYSA-N	-2	1	357.334	2.781	50	0		FFAAML
COc1cc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)ccc1Cl	ZINC000001072084	219364103	/nfs/dbraw/zinc/36/41/03/219364103.db2.gz	GKKTYHNHOFPZJY-UHFFFAOYSA-N	-2	1	371.798	2.613	50	0		FFAAML
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000020281462	209614948	/nfs/dbraw/zinc/61/49/48/209614948.db2.gz	OYHSEVQQCVZAME-UHFFFAOYSA-N	-2	1	369.782	2.626	50	0		FFAAML
Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n1	ZINC000009058585	207255715	/nfs/dbraw/zinc/25/57/15/207255715.db2.gz	CZZDDQKASFSNLA-UHFFFAOYSA-N	-2	1	353.787	2.573	50	0		FFAAML
CC(C)(C)O[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000156022786	509112082	/nfs/dbraw/zinc/11/20/82/509112082.db2.gz	CXSNVUGMDVUCLA-INIZCTEOSA-N	-2	1	356.422	2.996	50	0		FFAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1	ZINC000004713542	207040131	/nfs/dbraw/zinc/04/01/31/207040131.db2.gz	CBBBIOWCJXFRSF-UHFFFAOYSA-N	-2	1	368.370	2.905	50	0		FFAAML
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1	ZINC000078789772	208201362	/nfs/dbraw/zinc/20/13/62/208201362.db2.gz	OCSIGDAMFUKSQY-UHFFFAOYSA-N	-2	1	363.391	2.589	50	0		FFAAML
C#Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1	ZINC000089261936	206804130	/nfs/dbraw/zinc/80/41/30/206804130.db2.gz	UANXHUYIJGOWRB-UHFFFAOYSA-N	-2	1	353.758	2.959	50	0		FFAAML
CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1OCC	ZINC000013348276	506939237	/nfs/dbraw/zinc/93/92/37/506939237.db2.gz	XYBMFMQTVYUINH-UHFFFAOYSA-N	-2	1	365.407	2.983	50	0		FFAAML
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cc1OC	ZINC000060800330	221132900	/nfs/dbraw/zinc/13/29/00/221132900.db2.gz	FYTWXKLSFDWVQE-UHFFFAOYSA-N	-2	1	369.370	2.650	50	0		FFAAML
COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2	ZINC000055595143	506791912	/nfs/dbraw/zinc/79/19/12/506791912.db2.gz	NJHVGGVOKHIWFY-UHFFFAOYSA-N	-2	1	361.419	2.821	50	0		FFAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1	ZINC000002055806	210378847	/nfs/dbraw/zinc/37/88/47/210378847.db2.gz	XAMGGPPEHSNNII-UHFFFAOYSA-N	-2	1	368.370	2.905	50	0		FFAAML
Cc1cccc([N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)c1C	ZINC000057115545	507174766	/nfs/dbraw/zinc/17/47/66/507174766.db2.gz	ZGLFTCHWVLSGBQ-UHFFFAOYSA-N	-2	1	363.391	2.574	50	0		FFAAML
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1	ZINC000096742784	222129480	/nfs/dbraw/zinc/12/94/80/222129480.db2.gz	WRGJWXXTYMVTMA-YFHOEESVSA-N	-2	1	360.391	2.544	50	0		FFAAML
CN(C)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-]	ZINC000032962254	506318552	/nfs/dbraw/zinc/31/85/52/506318552.db2.gz	QLFUSHYFELPTEY-UHFFFAOYSA-N	-2	1	354.815	2.905	50	0		FFAAML
O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)n1	ZINC000078824362	507911613	/nfs/dbraw/zinc/91/16/13/507911613.db2.gz	JRKDXLURZZCREL-UHFFFAOYSA-N	-2	1	361.354	2.510	50	0		FFAAML
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1OC	ZINC000013027891	220055007	/nfs/dbraw/zinc/05/50/07/220055007.db2.gz	SIORSIQKPRFLMQ-UHFFFAOYSA-N	-2	1	351.380	2.511	50	0		FFAAML
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC000013345506	220064368	/nfs/dbraw/zinc/06/43/68/220064368.db2.gz	WRGJWXXTYMVTMA-JXMROGBWSA-N	-2	1	360.391	2.544	50	0		FFAAML
COCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C	ZINC000322653480	511825628	/nfs/dbraw/zinc/82/56/28/511825628.db2.gz	AQBBOCLODMZDNM-UHFFFAOYSA-N	-2	1	355.437	2.744	50	0		FFAAML
COc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc(OC)c1	ZINC000013348977	220065242	/nfs/dbraw/zinc/06/52/42/220065242.db2.gz	IVQPBULQGSLSFZ-UHFFFAOYSA-N	-2	1	351.380	2.511	50	0		FFAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1	ZINC000003025605	506307785	/nfs/dbraw/zinc/30/77/85/506307785.db2.gz	BUTBMLDLLOBSFI-UHFFFAOYSA-N	-2	1	356.197	2.948	50	0		FFAAML
O=C([O-])c1ccc(NC(=O)Cc2sc(Nc3ccccc3)nc2[O-])cc1	ZINC000008995222	506677985	/nfs/dbraw/zinc/67/79/85/506677985.db2.gz	YOGKJURSKCRMFK-CQSZACIVSA-N	-2	1	369.402	2.824	50	0		FFAAML
CC(C)c1noc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1	ZINC000822285059	998843716	/nfs/dbraw/zinc/84/37/16/998843716.db2.gz	NWKGAWRVLQCNTH-QMMMGPOBSA-N	-2	1	373.818	2.584	50	0		FFAAML
Cc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2	ZINC000001155578	219382694	/nfs/dbraw/zinc/38/26/94/219382694.db2.gz	NUWGJRVRNFNVFT-QPJJXVBHSA-N	-2	1	361.375	2.622	50	0		FFAAML
CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc21	ZINC000058366568	212006477	/nfs/dbraw/zinc/00/64/77/212006477.db2.gz	HQXMWEFSZOEWHY-UHFFFAOYSA-N	-2	1	359.407	2.864	50	0		FFAAML
O=C([O-])c1cccc(COc2ccc(C=C3NC(=S)[N-]C3=O)cc2)c1	ZINC000015769404	211141169	/nfs/dbraw/zinc/14/11/69/211141169.db2.gz	WIGXHEFVHQTFEP-OQLLNIDSSA-N	-2	1	354.387	2.720	50	0		FFAAML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000002005602	210375941	/nfs/dbraw/zinc/37/59/41/210375941.db2.gz	RPCZXFGZZGTKIV-UHFFFAOYSA-N	-2	1	356.197	2.948	50	0		FFAAML
COc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c(C(=O)[O-])cc1OC	ZINC000012541781	220004316	/nfs/dbraw/zinc/00/43/16/220004316.db2.gz	OBJFRKUNUWBFOP-UHFFFAOYSA-N	-2	1	365.407	2.820	50	0		FFAAML
COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1OC	ZINC000013464629	220068615	/nfs/dbraw/zinc/06/86/15/220068615.db2.gz	JBKKAKKFJFPXFZ-UHFFFAOYSA-N	-2	1	351.380	2.511	50	0		FFAAML
COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc(C(=O)[O-])c1OC	ZINC000045945859	507050417	/nfs/dbraw/zinc/05/04/17/507050417.db2.gz	UDDZYPQBMGPAKO-UHFFFAOYSA-N	-2	1	371.798	2.856	50	0		FFAAML
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1F	ZINC000048332671	570946960	/nfs/dbraw/zinc/94/69/60/570946960.db2.gz	YMKDWUKOVKFQPD-UHFFFAOYSA-N	-2	1	353.371	2.571	50	0		FFAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000012605428	220013695	/nfs/dbraw/zinc/01/36/95/220013695.db2.gz	HLXSTICSWALRPU-UHFFFAOYSA-N	-3	1	355.755	2.537	50	0		FFAAML
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1OC(F)F	ZINC000029326163	507774008	/nfs/dbraw/zinc/77/40/08/507774008.db2.gz	WSUIGYMOHFCMNQ-UHFFFAOYSA-N	-2	1	373.333	2.796	50	0		FFAAML
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000013078598	220057203	/nfs/dbraw/zinc/05/72/03/220057203.db2.gz	SDJDSIBMUXXEPF-UHFFFAOYSA-N	-3	1	363.391	2.511	50	0		FFAAML
CCCCCC(=O)Nn1c(=O)c2c(C)c(C(=O)[O-])sc2[n-]c1=S	ZINC000017073472	220201825	/nfs/dbraw/zinc/20/18/25/220201825.db2.gz	JSUDFAJPYQIRQK-UHFFFAOYSA-N	-2	1	355.441	2.778	50	0		FFAAML
COc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1C	ZINC000065502844	221226734	/nfs/dbraw/zinc/22/67/34/221226734.db2.gz	RCAJCVMXNWDYQU-UHFFFAOYSA-N	-2	1	353.371	2.950	50	0		FFAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1C	ZINC000005132921	506424414	/nfs/dbraw/zinc/42/44/14/506424414.db2.gz	MLXVCAHWHBUXGI-UHFFFAOYSA-N	-2	1	363.391	2.574	50	0		FFAAML
Cc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000001184594	219386086	/nfs/dbraw/zinc/38/60/86/219386086.db2.gz	BQWHUVQZKXGCIZ-CMDGGOBGSA-N	-3	1	361.375	2.592	50	0		FFAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)cc1	ZINC000013032189	220054967	/nfs/dbraw/zinc/05/49/67/220054967.db2.gz	JRIVPGATCKPSBK-UHFFFAOYSA-N	-2	1	357.290	2.507	50	0		FFAAML
CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)cc21	ZINC000058366603	221116253	/nfs/dbraw/zinc/11/62/53/221116253.db2.gz	ILGWUAKWORYPBG-UHFFFAOYSA-N	-2	1	359.407	2.864	50	0		FFAAML
Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)ccc1OCC(=O)[O-]	ZINC000063476305	221141465	/nfs/dbraw/zinc/14/14/65/221141465.db2.gz	CDUUPFJCUIBTTA-UHFFFAOYSA-N	-2	1	357.334	2.537	50	0		FFAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Br	ZINC000004842645	506399577	/nfs/dbraw/zinc/39/95/77/506399577.db2.gz	DXRFHYVGYOVSSX-UHFFFAOYSA-N	-2	1	356.197	2.948	50	0		FFAAML
Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1C(=O)[O-]	ZINC000045774220	507016403	/nfs/dbraw/zinc/01/64/03/507016403.db2.gz	DJJNCPWFBGWYJI-UHFFFAOYSA-N	-2	1	357.391	2.680	50	0		FFAAML
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2	ZINC000045945782	507050397	/nfs/dbraw/zinc/05/03/97/507050397.db2.gz	WJSFQWSEHQPGHX-UHFFFAOYSA-N	-2	1	363.391	2.519	50	0		FFAAML
COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1	ZINC000013079044	220057242	/nfs/dbraw/zinc/05/72/42/220057242.db2.gz	VTEVQWJROMNECO-UHFFFAOYSA-N	-2	1	363.391	2.589	50	0		FFAAML
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F	ZINC000013358857	220064979	/nfs/dbraw/zinc/06/49/79/220064979.db2.gz	PAYZKXFIWCNFMN-UHFFFAOYSA-N	-2	1	359.762	2.987	50	0		FFAAML
O=C([O-])c1ccc(NC(=O)Cc2sc(Nc3ccccc3)nc2[O-])cc1	ZINC000013688903	220085899	/nfs/dbraw/zinc/08/58/99/220085899.db2.gz	YOGKJURSKCRMFK-AWEZNQCLSA-N	-2	1	369.402	2.824	50	0		FFAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-]	ZINC000048344027	221008776	/nfs/dbraw/zinc/00/87/76/221008776.db2.gz	VGXLMVFLRPRNOQ-UHFFFAOYSA-N	-3	1	369.782	2.846	50	0		FFAAML
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c1)CCC2	ZINC000055555388	221071222	/nfs/dbraw/zinc/07/12/22/221071222.db2.gz	XRUBHRUNBDJVQM-UHFFFAOYSA-N	-2	1	353.346	2.953	50	0		FFAAML
COc1cc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1OC	ZINC000007050696	506528283	/nfs/dbraw/zinc/52/82/83/506528283.db2.gz	AWOCDAAGCOXFLJ-UHFFFAOYSA-N	-2	1	351.380	2.511	50	0		FFAAML
CCC[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)c1ccccc1	ZINC000072847615	507861820	/nfs/dbraw/zinc/86/18/20/507861820.db2.gz	PHDGVSUJYHCMBK-CYBMUJFWSA-N	-2	1	352.394	2.603	50	0		FFAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc(C(=O)[O-])c1	ZINC000000692359	219314040	/nfs/dbraw/zinc/31/40/40/219314040.db2.gz	XNUMMVFWNYQDKB-UHFFFAOYSA-N	-3	1	355.755	2.537	50	0		FFAAML
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1F	ZINC000048331825	221008010	/nfs/dbraw/zinc/00/80/10/221008010.db2.gz	AXQBNHUNRDQJKT-UHFFFAOYSA-N	-2	1	373.789	2.916	50	0		FFAAML
Cc1ccc(C)c([N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)c1	ZINC000057115431	221083875	/nfs/dbraw/zinc/08/38/75/221083875.db2.gz	UAXQEEZSBOTPKY-UHFFFAOYSA-N	-2	1	363.391	2.574	50	0		FFAAML
CCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-]	ZINC000035397638	506381923	/nfs/dbraw/zinc/38/19/23/506381923.db2.gz	QTFIVQHYJOOHCT-UHFFFAOYSA-N	-2	1	363.439	2.735	50	0		FFAAML
CCn1cc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc2n1	ZINC000075572867	508118633	/nfs/dbraw/zinc/11/86/33/508118633.db2.gz	PRCQAQULFDYCHY-UHFFFAOYSA-N	-2	1	359.407	2.864	50	0		FFAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c1	ZINC000012526186	220002550	/nfs/dbraw/zinc/00/25/50/220002550.db2.gz	WRGLMQPNUNVUCJ-UHFFFAOYSA-N	-2	1	360.391	2.534	50	0		FFAAML
CCc1cccc([N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)c1	ZINC000057115970	221083982	/nfs/dbraw/zinc/08/39/82/221083982.db2.gz	OUKKUDHNLMVUTD-UHFFFAOYSA-N	-2	1	363.391	2.519	50	0		FFAAML
COc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1Cl	ZINC000072295201	507772801	/nfs/dbraw/zinc/77/28/01/507772801.db2.gz	MXIJZCIBAGKIDH-UHFFFAOYSA-N	-2	1	355.799	2.777	50	0		FFAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000000786482	219321747	/nfs/dbraw/zinc/32/17/47/219321747.db2.gz	SFPBSEDGDUJCNI-UHFFFAOYSA-N	-3	1	355.755	2.537	50	0		FFAAML
CCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)cc1	ZINC000013090254	220057376	/nfs/dbraw/zinc/05/73/76/220057376.db2.gz	ZCYIRKYNEFYUKF-UHFFFAOYSA-N	-2	1	363.391	2.519	50	0		FFAAML
O=C([N-]n1c(=O)c2c3c(sc2[n-]c1=S)CCCC3)c1ccccn1	ZINC000017073988	220204080	/nfs/dbraw/zinc/20/40/80/220204080.db2.gz	TXONTOWWUKWHDK-UHFFFAOYSA-N	-2	1	358.448	2.778	50	0		FFAAML
Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1OCC(=O)[O-]	ZINC000063476247	221141939	/nfs/dbraw/zinc/14/19/39/221141939.db2.gz	LOLAMZHUIOJPFG-UHFFFAOYSA-N	-2	1	355.799	2.913	50	0		FFAAML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)cc1C(=O)[O-]	ZINC000039996418	506457735	/nfs/dbraw/zinc/45/77/35/506457735.db2.gz	UYDYARSHRSMDFX-UHFFFAOYSA-N	-2	1	374.418	2.621	50	0		FFAAML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc1C(=O)[O-]	ZINC000040088479	506464825	/nfs/dbraw/zinc/46/48/25/506464825.db2.gz	SYTCNHLENSDMEK-UHFFFAOYSA-N	-2	1	357.391	2.680	50	0		FFAAML
CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])nc([O-])n(C(C)C)c1=O	ZINC000009042443	506680263	/nfs/dbraw/zinc/68/02/63/506680263.db2.gz	GNLQNDLTPGVJGS-QGZVFWFLSA-N	-2	1	368.437	2.684	50	0	biogenic	FFAAML
Cc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])cc12	ZINC000010274251	506736049	/nfs/dbraw/zinc/73/60/49/506736049.db2.gz	XYOOXVFCCDBNAY-UHFFFAOYSA-N	-2	1	372.402	2.644	50	0		FFAAML
CCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000028248066	507715205	/nfs/dbraw/zinc/71/52/05/507715205.db2.gz	GWNGNRVUIRCIFP-UHFFFAOYSA-N	-2	1	366.370	2.673	50	0		FFAAML
CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000151544689	509040653	/nfs/dbraw/zinc/04/06/53/509040653.db2.gz	QDDYFTRDGXDUMN-CYBMUJFWSA-N	-2	1	366.421	2.773	50	0		FFAAML
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1	ZINC000058377208	221116970	/nfs/dbraw/zinc/11/69/70/221116970.db2.gz	LBEPDCPWKYWLEU-UHFFFAOYSA-N	-2	1	359.762	2.992	50	0		FFAAML
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1	ZINC000065497579	221227470	/nfs/dbraw/zinc/22/74/70/221227470.db2.gz	LAXZDXJHIYAPBI-UHFFFAOYSA-N	-2	1	359.762	2.992	50	0		FFAAML
COc1cc(S(=O)(=O)[N-]c2cccc(C)c2)cc(C(=O)[O-])c1OC	ZINC000045946174	206079711	/nfs/dbraw/zinc/07/97/11/206079711.db2.gz	BAXZURDQDLBSEH-UHFFFAOYSA-N	-2	1	351.380	2.511	50	0		FFAAML
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cc(OC)c1	ZINC000060800339	507578454	/nfs/dbraw/zinc/57/84/54/507578454.db2.gz	AVMAMNSAXBNJGR-UHFFFAOYSA-N	-2	1	369.370	2.650	50	0		FFAAML
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000072312988	507774910	/nfs/dbraw/zinc/77/49/10/507774910.db2.gz	VFYKQQQJSSRQLC-UHFFFAOYSA-N	-2	1	374.418	2.633	50	0		FFAAML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2	ZINC000002055805	204024872	/nfs/dbraw/zinc/02/48/72/204024872.db2.gz	TYNXIZLQXIBWGQ-UHFFFAOYSA-N	-2	1	368.370	2.905	50	0		FFAAML
O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000006863209	204277256	/nfs/dbraw/zinc/27/72/56/204277256.db2.gz	QCBAODFXUVDXOG-RKDXNWHRSA-N	-2	1	371.233	2.658	50	0		FFAAML
CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000040105261	506468606	/nfs/dbraw/zinc/46/86/06/506468606.db2.gz	PGGVSDZJXYYXJH-UHFFFAOYSA-N	-2	1	354.815	2.905	50	0		FFAAML
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1	ZINC000058406247	205275003	/nfs/dbraw/zinc/27/50/03/205275003.db2.gz	MPSLBPJPGIIVOB-UHFFFAOYSA-N	-2	1	361.297	2.617	50	0		FFAAML
Cc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)cc12	ZINC000010274252	204392722	/nfs/dbraw/zinc/39/27/22/204392722.db2.gz	JNSQIZAPSGPUJF-UHFFFAOYSA-N	-2	1	372.402	2.644	50	0		FFAAML
COc1cc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc(C(=O)[O-])c1OC	ZINC000045946233	206080954	/nfs/dbraw/zinc/08/09/54/206080954.db2.gz	RQTMCBNXKWWWKG-UHFFFAOYSA-N	-2	1	369.370	2.650	50	0		FFAAML
O=C([O-])[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1	ZINC000049421364	507620849	/nfs/dbraw/zinc/62/08/49/507620849.db2.gz	YGPYZQSMCXBYRR-LBPRGKRZSA-N	-2	1	355.419	2.953	50	0		FFAAML
COc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)ccc1OCCC(=O)[O-]	ZINC000096010315	1011562090	/nfs/dbraw/zinc/56/20/90/1011562090.db2.gz	IXWUQPLWKJBFJG-RQZCQDPDSA-N	-2	1	356.330	2.871	50	0		FFAAML
COc1cc([N-]S(=O)(=O)c2cc(F)ccc2C)c(C(=O)[O-])cc1OC	ZINC000041705563	506544205	/nfs/dbraw/zinc/54/42/05/506544205.db2.gz	TXKMDSKJIKZERH-UHFFFAOYSA-N	-2	1	369.370	2.650	50	0		FFAAML
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1OC	ZINC000008105842	206246215	/nfs/dbraw/zinc/24/62/15/206246215.db2.gz	VXIKHJCTZWDLFB-UHFFFAOYSA-N	-2	1	365.407	2.820	50	0		FFAAML
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1F	ZINC000054294841	205198675	/nfs/dbraw/zinc/19/86/75/205198675.db2.gz	QMVGRIKRBMFOIO-UHFFFAOYSA-N	-2	1	353.371	2.571	50	0		FFAAML
COc1cc(S(=O)(=O)[N-]c2ccccc2C)cc(C(=O)[O-])c1OC	ZINC000045946267	206079727	/nfs/dbraw/zinc/07/97/27/206079727.db2.gz	XIXCOHSEKQTRJJ-UHFFFAOYSA-N	-2	1	351.380	2.511	50	0		FFAAML
Cc1cc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000073615297	507937606	/nfs/dbraw/zinc/93/76/06/507937606.db2.gz	LLHXPYTUVOMBLC-INIZCTEOSA-N	-2	1	366.421	2.801	50	0		FFAAML
CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC000097254611	508221984	/nfs/dbraw/zinc/22/19/84/508221984.db2.gz	IAQNQCWONVAWPM-SNVBAGLBSA-N	-2	1	354.453	2.783	50	0		FFAAML
CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000170617705	509681247	/nfs/dbraw/zinc/68/12/47/509681247.db2.gz	PPWQACWYESBGBG-UHFFFAOYSA-N	-3	1	367.354	2.585	50	0		FFAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1	ZINC000006316015	206242222	/nfs/dbraw/zinc/24/22/22/206242222.db2.gz	AAUBVDIYGYVWIM-UHFFFAOYSA-N	-2	1	356.197	2.948	50	0		FFAAML
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])cc1	ZINC000002647540	506286927	/nfs/dbraw/zinc/28/69/27/506286927.db2.gz	LZPIPKUJAHFIGJ-UHFFFAOYSA-N	-2	1	368.798	2.797	50	0		FFAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N2CCCC2=O)c1	ZINC000012583233	506880436	/nfs/dbraw/zinc/88/04/36/506880436.db2.gz	AENMJLINZZIZBJ-UHFFFAOYSA-N	-2	1	374.418	2.621	50	0		FFAAML
Cc1cc(Br)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000020550047	507224460	/nfs/dbraw/zinc/22/44/60/507224460.db2.gz	LJKRRQICYZXDAE-UHFFFAOYSA-N	-2	1	359.201	2.585	50	0		FFAAML
Cc1ccnn1-c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1	ZINC000058366589	507409778	/nfs/dbraw/zinc/40/97/78/507409778.db2.gz	OAHPSVOGFGIYHD-UHFFFAOYSA-N	-2	1	371.418	2.988	50	0		FFAAML
Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)ccc1OCC(=O)[O-]	ZINC000058377389	507410566	/nfs/dbraw/zinc/41/05/66/507410566.db2.gz	RNHURYFSUYBJIL-UHFFFAOYSA-N	-2	1	357.334	2.537	50	0		FFAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc2c(cnn2C(C)C)c1	ZINC000032098036	208026009	/nfs/dbraw/zinc/02/60/09/208026009.db2.gz	LPKBUAUVPZPVRR-UHFFFAOYSA-N	-2	1	374.422	2.820	50	0		FFAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1O	ZINC000004641418	506386162	/nfs/dbraw/zinc/38/61/62/506386162.db2.gz	FWQFAURLMDTDCV-UHFFFAOYSA-N	-2	1	372.196	2.654	50	0		FFAAML
O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000060367177	507532190	/nfs/dbraw/zinc/53/21/90/507532190.db2.gz	QVPRZTBZZPVLFU-UHFFFAOYSA-N	-2	1	353.346	2.953	50	0		FFAAML
CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC000097254613	508222006	/nfs/dbraw/zinc/22/20/06/508222006.db2.gz	IAQNQCWONVAWPM-JTQLQIEISA-N	-2	1	354.453	2.783	50	0		FFAAML
O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)C(F)(F)F	ZINC000001802364	209391827	/nfs/dbraw/zinc/39/18/27/209391827.db2.gz	MMJIZRQLHKWCBH-LURJTMIESA-N	-2	1	365.782	2.723	50	0		FFAAML
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(F)cc(F)c3)c1)CCC2	ZINC000055576848	506785098	/nfs/dbraw/zinc/78/50/98/506785098.db2.gz	JOEOATFBNAMZDT-UHFFFAOYSA-N	-2	1	353.346	2.953	50	0		FFAAML
COc1c(F)cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1F	ZINC000055682565	506824436	/nfs/dbraw/zinc/82/44/36/506824436.db2.gz	DJGKLWQNGJZNFH-UHFFFAOYSA-N	-2	1	357.334	2.781	50	0		FFAAML
O=C([O-])c1ccc(NC(=O)c2ccc(C=C3SC(=O)[N-]C3=O)cc2)cc1	ZINC000004291612	506369820	/nfs/dbraw/zinc/36/98/20/506369820.db2.gz	SWSNMDDYXJWEKF-ZROIWOOFSA-N	-2	1	368.370	2.961	50	0		FFAAML
Cc1nnc(-c2cc(NC(=O)Cc3ccccc3C(=O)[O-])ccc2[O-])o1	ZINC000071286375	507700691	/nfs/dbraw/zinc/70/06/91/507700691.db2.gz	NHIVCZDVLDJGLW-UHFFFAOYSA-N	-2	1	353.334	2.630	50	0		FFAAML
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1	ZINC000028196979	507712318	/nfs/dbraw/zinc/71/23/18/507712318.db2.gz	ZJKUNFAPDPICOF-UHFFFAOYSA-N	-2	1	363.391	2.589	50	0		FFAAML
Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)cc(C(=O)[O-])c1C	ZINC000079107651	507933836	/nfs/dbraw/zinc/93/38/36/507933836.db2.gz	YMKMOEKQDKEULW-UHFFFAOYSA-N	-2	1	372.406	2.588	50	0		FFAAML
Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-]	ZINC000547923375	516635174	/nfs/dbraw/zinc/63/51/74/516635174.db2.gz	AAHFDAHSKXXMIU-UHFFFAOYSA-N	-2	1	355.391	2.719	50	0		FFAAML
COc1cc(S(=O)(=O)[N-]c2cc(F)ccc2C)cc(C(=O)[O-])c1OC	ZINC000045946225	209328794	/nfs/dbraw/zinc/32/87/94/209328794.db2.gz	BUSZDOGMDNZGJA-UHFFFAOYSA-N	-2	1	369.370	2.650	50	0		FFAAML
Cn1cc(C(=O)c2ccccc2[O-])cc1-c1nc(=O)c2sccc2[n-]1	ZINC000009458515	207272900	/nfs/dbraw/zinc/27/29/00/207272900.db2.gz	WCDXKFMSDSNNOQ-UHFFFAOYSA-N	-2	1	351.387	2.927	50	0		FFAAML
O=C([O-])c1cccc(NC(=O)Cc2sc(Nc3ccccc3)nc2[O-])c1	ZINC000003423987	506328897	/nfs/dbraw/zinc/32/88/97/506328897.db2.gz	XUQMMNGYEROGAT-AWEZNQCLSA-N	-2	1	369.402	2.824	50	0		FFAAML
Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1C(=O)[O-]	ZINC000013032212	506925135	/nfs/dbraw/zinc/92/51/35/506925135.db2.gz	NSAYDVQWACUUJM-UHFFFAOYSA-N	-2	1	374.418	2.621	50	0		FFAAML
CCc1ccccc1[N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2	ZINC000057116213	507174424	/nfs/dbraw/zinc/17/44/24/507174424.db2.gz	PMFLTYDFPVDBHZ-UHFFFAOYSA-N	-2	1	363.391	2.519	50	0		FFAAML
COc1cc(C)c([N-]S(=O)(=O)c2cc(F)ccc2C)c(C(=O)[O-])c1	ZINC000170078770	509666621	/nfs/dbraw/zinc/66/66/21/509666621.db2.gz	KRGVIBRYYABQIZ-UHFFFAOYSA-N	-2	1	353.371	2.950	50	0		FFAAML
COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C	ZINC000071798581	208185353	/nfs/dbraw/zinc/18/53/53/208185353.db2.gz	ZHPYDEBUOLYJAZ-UHFFFAOYSA-N	-2	1	353.371	2.780	50	0		FFAAML
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc(OC)c1	ZINC000007708399	506584062	/nfs/dbraw/zinc/58/40/62/506584062.db2.gz	BFUASUBQFCCDDH-UHFFFAOYSA-N	-2	1	351.380	2.511	50	0		FFAAML
O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000013342845	506939694	/nfs/dbraw/zinc/93/96/94/506939694.db2.gz	RGDKWVPDVVMICI-UHFFFAOYSA-N	-2	1	356.197	2.948	50	0		FFAAML
COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc(OC)c1	ZINC000013340855	220064749	/nfs/dbraw/zinc/06/47/49/220064749.db2.gz	NOHUHYXGWGFOBR-UHFFFAOYSA-N	-2	1	371.798	2.856	50	0		FFAAML
COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C(=O)[O-])cc1OC	ZINC000001027752	210302765	/nfs/dbraw/zinc/30/27/65/210302765.db2.gz	SZOHZVRLCDOYMM-UHFFFAOYSA-N	-2	1	371.798	2.856	50	0		FFAAML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1OC	ZINC000007057402	506530590	/nfs/dbraw/zinc/53/05/90/506530590.db2.gz	ACWDKLOZPQUNJI-UHFFFAOYSA-N	-2	1	351.380	2.511	50	0		FFAAML
COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1OC	ZINC000042122800	506600742	/nfs/dbraw/zinc/60/07/42/506600742.db2.gz	JFIBOSHCLXTKNR-UHFFFAOYSA-N	-2	1	351.380	2.511	50	0		FFAAML
COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1	ZINC000071798580	507716357	/nfs/dbraw/zinc/71/63/57/507716357.db2.gz	RKZRHODHENEZGH-UHFFFAOYSA-N	-2	1	353.371	2.780	50	0		FFAAML
O=S(=O)([N-]c1nc2ncnc-2c(O)[n-]1)c1ccc(C2CCCCC2)cc1	ZINC000028249559	539829323	/nfs/dbraw/zinc/82/93/23/539829323.db2.gz	GHQFYNODYWBIMB-UHFFFAOYSA-N	-2	1	373.438	2.907	50	0		FFAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)c1	ZINC000012521263	220001519	/nfs/dbraw/zinc/00/15/19/220001519.db2.gz	AZZBSJKHEMCALI-UHFFFAOYSA-N	-2	1	357.290	2.507	50	0		FFAAML
O=S(=O)([N-]N=c1cnc2ccccc2[n-]1)c1ccccc1C(F)(F)F	ZINC000001039714	210306886	/nfs/dbraw/zinc/30/68/86/210306886.db2.gz	FMUUXNPIGNZMIP-UHFFFAOYSA-N	-2	1	368.340	2.954	50	0		FFAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1Cl	ZINC000047318074	220992649	/nfs/dbraw/zinc/99/26/49/220992649.db2.gz	LGHZTYHOULPFTP-UHFFFAOYSA-N	-2	1	369.782	2.610	50	0		FFAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1	ZINC000045774263	507016328	/nfs/dbraw/zinc/01/63/28/507016328.db2.gz	MOARVDVCYJLUKE-UHFFFAOYSA-N	-2	1	357.391	2.680	50	0		FFAAML
COc1ccc(-c2cc(=O)[n-]c(Nc3ccc(O)c(C(=O)[O-])c3)n2)cc1	ZINC000073647928	507942600	/nfs/dbraw/zinc/94/26/00/507942600.db2.gz	BGCMFSKXCBUKKE-UHFFFAOYSA-N	-2	1	353.334	2.593	50	0		FFAAML
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccc(Cl)cc1)OCCO2	ZINC000013090193	211023206	/nfs/dbraw/zinc/02/32/06/211023206.db2.gz	NPIAIEUEEGOENS-UHFFFAOYSA-N	-2	1	369.782	2.610	50	0		FFAAML
Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)cc1C	ZINC000013090209	211022737	/nfs/dbraw/zinc/02/27/37/211022737.db2.gz	DDEVNRQMNSULJN-UHFFFAOYSA-N	-2	1	363.391	2.574	50	0		FFAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1	ZINC000000820118	210276044	/nfs/dbraw/zinc/27/60/44/210276044.db2.gz	FSENLNZWRUKHDI-UHFFFAOYSA-N	-2	1	356.197	2.948	50	0		FFAAML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(=O)[O-])n2)c(C)c1	ZINC000097591233	222194688	/nfs/dbraw/zinc/19/46/88/222194688.db2.gz	FHAVRNUFYQORGS-UHFFFAOYSA-N	-2	1	371.418	2.988	50	0		FFAAML
COc1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)ccc1Cl	ZINC000003620803	506347667	/nfs/dbraw/zinc/34/76/67/506347667.db2.gz	OAPUEACMOXUUPC-UHFFFAOYSA-N	-2	1	355.799	2.777	50	0		FFAAML
Cc1ccc(CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C(C)C)s1	ZINC000174267222	986166365	/nfs/dbraw/zinc/16/63/65/986166365.db2.gz	HDEWIUNICBBFKJ-UHFFFAOYSA-N	-2	1	372.450	2.753	50	0		FFAAML
CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1OCC	ZINC000012541610	220004782	/nfs/dbraw/zinc/00/47/82/220004782.db2.gz	IASSHVYJLNZVDC-UHFFFAOYSA-N	-2	1	365.407	2.983	50	0		FFAAML
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F	ZINC000054294917	506533321	/nfs/dbraw/zinc/53/33/21/506533321.db2.gz	IDVIWIFPPSFTGF-UHFFFAOYSA-N	-2	1	373.789	2.916	50	0		FFAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C(=O)[O-])c1	ZINC000058369003	212006174	/nfs/dbraw/zinc/00/61/74/212006174.db2.gz	LFMQFTPBMOZGQE-UHFFFAOYSA-N	-2	1	374.418	2.621	50	0		FFAAML
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NCCCCCC(=O)[O-]	ZINC000002097100	210226936	/nfs/dbraw/zinc/22/69/36/210226936.db2.gz	YYOJQKKWRYBICR-UHFFFAOYSA-N	-2	1	361.394	2.501	50	0	biogenic	FFAAML
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)cc1	ZINC000013278850	211029436	/nfs/dbraw/zinc/02/94/36/211029436.db2.gz	GEGYIOPBXKAVFB-UHFFFAOYSA-N	-2	1	353.421	2.916	50	0		FFAAML
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000036833345	506420049	/nfs/dbraw/zinc/42/00/49/506420049.db2.gz	KXTFIEWJMGYOSB-UHFFFAOYSA-N	-2	1	363.391	2.655	50	0		FFAAML
Cc1cc(C)cc([N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)c1	ZINC000057115861	507174197	/nfs/dbraw/zinc/17/41/97/507174197.db2.gz	LQABXWPDLPYRPB-UHFFFAOYSA-N	-2	1	363.391	2.574	50	0		FFAAML
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1F	ZINC000013367355	220066204	/nfs/dbraw/zinc/06/62/04/220066204.db2.gz	IQJYLXPXPYNRKQ-XVNBXDOJSA-N	-2	1	369.345	2.872	50	0		FFAAML
COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F	ZINC000096742786	222129396	/nfs/dbraw/zinc/12/93/96/222129396.db2.gz	ZJFDESXYWKTMQT-CLFYSBASSA-N	-2	1	351.355	2.733	50	0		FFAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2c(O)cccc2F)cc(F)c1Cl	ZINC000089768192	507863637	/nfs/dbraw/zinc/86/36/37/507863637.db2.gz	LGVOCYPTODDJQZ-UHFFFAOYSA-N	-2	1	363.725	2.823	50	0		FFAAML
CN(C)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(C(=O)[O-])c1	ZINC000225584104	509377018	/nfs/dbraw/zinc/37/70/18/509377018.db2.gz	MYDQOWCHOPFANG-UHFFFAOYSA-N	-2	1	356.350	2.530	50	0		FFAAML
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1OC	ZINC000013340839	220064398	/nfs/dbraw/zinc/06/43/98/220064398.db2.gz	WYNWVUXHQBFGRB-UHFFFAOYSA-N	-2	1	371.798	2.856	50	0		FFAAML
COc1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c(C(=O)[O-])cc1OC	ZINC000042122861	506600170	/nfs/dbraw/zinc/60/01/70/506600170.db2.gz	ILDWYAXAOXJYKR-UHFFFAOYSA-N	-2	1	369.370	2.650	50	0		FFAAML
CCn1cc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)cc2n1	ZINC000075572868	508118589	/nfs/dbraw/zinc/11/85/89/508118589.db2.gz	XSBWGNFWMSGVCA-UHFFFAOYSA-N	-2	1	359.407	2.864	50	0		FFAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1	ZINC000007053745	219790393	/nfs/dbraw/zinc/79/03/93/219790393.db2.gz	HJEDQXUBOWCMCH-UHFFFAOYSA-N	-2	1	356.197	2.948	50	0		FFAAML
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cccc(Cl)c1)OCCO2	ZINC000012769646	220026525	/nfs/dbraw/zinc/02/65/25/220026525.db2.gz	ASJDCAOVHLHFTI-UHFFFAOYSA-N	-2	1	369.782	2.610	50	0		FFAAML
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F	ZINC000048367954	221011067	/nfs/dbraw/zinc/01/10/67/221011067.db2.gz	ZGFQNBSACDOQIG-UHFFFAOYSA-N	-2	1	373.789	2.916	50	0		FFAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc2c1OCCO2	ZINC000057115645	221083826	/nfs/dbraw/zinc/08/38/26/221083826.db2.gz	PFWKPIZAJNIAOE-UHFFFAOYSA-N	-2	1	369.782	2.610	50	0		FFAAML
CCN(CC)c1ncc([N-]S(=O)(=O)c2cccc(C)c2)cc1C(=O)[O-]	ZINC000035397674	506381317	/nfs/dbraw/zinc/38/13/17/506381317.db2.gz	FOERGSVMZBWTAD-UHFFFAOYSA-N	-2	1	363.439	2.735	50	0		FFAAML
Cc1ccnn1-c1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000058368834	221115475	/nfs/dbraw/zinc/11/54/75/221115475.db2.gz	PJTLGSUDLQDPKX-UHFFFAOYSA-N	-2	1	357.391	2.680	50	0		FFAAML
CCc1nnc(-c2ccc([O-])c(NC(=O)Cc3ccccc3C(=O)[O-])c2)o1	ZINC000071284592	221339034	/nfs/dbraw/zinc/33/90/34/221339034.db2.gz	CTBLEBBFASPALL-UHFFFAOYSA-N	-2	1	367.361	2.884	50	0		FFAAML
CC(C)c1ccc(S(=O)(=O)[N-]c2cnc(N(C)C)c(C(=O)[O-])c2)cc1	ZINC000035397724	506381801	/nfs/dbraw/zinc/38/18/01/506381801.db2.gz	ZOHQGGDOQREVBA-UHFFFAOYSA-N	-2	1	363.439	2.770	50	0		FFAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(Br)c2)c1	ZINC000036403771	506406369	/nfs/dbraw/zinc/40/63/69/506406369.db2.gz	GFGFWFQIEKHTRB-UHFFFAOYSA-N	-2	1	356.197	2.948	50	0		FFAAML
O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000006863210	506512556	/nfs/dbraw/zinc/51/25/56/506512556.db2.gz	QCBAODFXUVDXOG-DTWKUNHWSA-N	-2	1	371.233	2.658	50	0		FFAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc2c1OCCO2	ZINC000057115609	221084048	/nfs/dbraw/zinc/08/40/48/221084048.db2.gz	BNRNPNUPVHVRBX-UHFFFAOYSA-N	-2	1	369.782	2.610	50	0		FFAAML
Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000058368371	221115652	/nfs/dbraw/zinc/11/56/52/221115652.db2.gz	PCMUJFGIHHETBD-UHFFFAOYSA-N	-2	1	353.371	2.707	50	0		FFAAML
COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1F	ZINC000096747822	222129289	/nfs/dbraw/zinc/12/92/89/222129289.db2.gz	IQJYLXPXPYNRKQ-CLTKARDFSA-N	-2	1	369.345	2.872	50	0		FFAAML
CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C	ZINC000032754983	506289847	/nfs/dbraw/zinc/28/98/47/506289847.db2.gz	PRPAJCCAHKMNPQ-UHFFFAOYSA-N	-2	1	362.407	2.761	50	0		FFAAML
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F	ZINC000013367154	220066323	/nfs/dbraw/zinc/06/63/23/220066323.db2.gz	ZJFDESXYWKTMQT-VQHVLOKHSA-N	-2	1	351.355	2.733	50	0		FFAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c1C	ZINC000048265365	221004540	/nfs/dbraw/zinc/00/45/40/221004540.db2.gz	WROUHGLBVZNYKD-UHFFFAOYSA-N	-2	1	371.418	2.988	50	0		FFAAML
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1	ZINC000009338442	506691055	/nfs/dbraw/zinc/69/10/55/506691055.db2.gz	ZUGIGXMKAWHRNH-UHFFFAOYSA-N	-2	1	363.391	2.589	50	0		FFAAML
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1F	ZINC000047318129	507307990	/nfs/dbraw/zinc/30/79/90/507307990.db2.gz	QMKLORUAOUHYNH-UHFFFAOYSA-N	-2	1	359.762	2.987	50	0		FFAAML
CC(C)c1noc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1	ZINC000822285058	998843477	/nfs/dbraw/zinc/84/34/77/998843477.db2.gz	NWKGAWRVLQCNTH-MRVPVSSYSA-N	-2	1	373.818	2.584	50	0		FFAAML
O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000006863208	506512499	/nfs/dbraw/zinc/51/24/99/506512499.db2.gz	QCBAODFXUVDXOG-BDAKNGLRSA-N	-2	1	371.233	2.658	50	0		FFAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)ccc1Cl	ZINC000034863320	263397733	/nfs/dbraw/zinc/39/77/33/263397733.db2.gz	QAQJWYUNCXNMSB-UHFFFAOYSA-N	-2	1	351.771	2.715	50	0		FFAAML
O=C([O-])c1cccc(NC(=O)Cc2sc(Nc3ccccc3)nc2[O-])c1	ZINC000003423984	506329794	/nfs/dbraw/zinc/32/97/94/506329794.db2.gz	XUQMMNGYEROGAT-CQSZACIVSA-N	-2	1	369.402	2.824	50	0		FFAAML
Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)sc1C(=O)[O-]	ZINC000045774664	507018449	/nfs/dbraw/zinc/01/84/49/507018449.db2.gz	SWNINSZBXLIXQI-UHFFFAOYSA-N	-2	1	351.327	2.973	50	0		FFAAML
COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)c(C(=O)[O-])cc1OC	ZINC000013263143	220062219	/nfs/dbraw/zinc/06/22/19/220062219.db2.gz	XPPHITYMNMWAOM-UHFFFAOYSA-N	-2	1	371.798	2.856	50	0		FFAAML
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1C	ZINC000096996695	222149391	/nfs/dbraw/zinc/14/93/91/222149391.db2.gz	SRARTTIXXKAEIC-YHYXMXQVSA-N	-2	1	374.418	2.852	50	0		FFAAML