smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1	ZINC000055679205	601325355	/nfs/dbraw/zinc/32/53/55/601325355.db2.gz	BYSCVURUHNIKIA-UHFFFAOYSA-N	-2	0	392.433	2.031	20	10		GECDRL
O=C([O-])c1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1O	ZINC000757655846	601862325	/nfs/dbraw/zinc/86/23/25/601862325.db2.gz	LKDWTDGVUMJZDI-UHFFFAOYSA-N	-2	0	389.744	2.382	20	10		GECDRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc(-c2cnn(C)c2)cs1	ZINC000832208709	601361535	/nfs/dbraw/zinc/36/15/35/601361535.db2.gz	ONIBNDBUCMAYBL-UHFFFAOYSA-N	-2	0	394.434	2.051	20	10		GECDRL
C[C@@H](CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)C(=O)[O-]	ZINC000827437292	601387571	/nfs/dbraw/zinc/38/75/71/601387571.db2.gz	YAYAKCSZXYTZOS-JTQLQIEISA-N	-2	0	398.462	2.047	20	10		GECDRL
COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000753778860	652415028	/nfs/dbraw/zinc/41/50/28/652415028.db2.gz	IGXUUNYBHNJMKX-UHFFFAOYSA-N	-2	0	385.781	2.331	20	10		GECDRL
CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc([O-])c(F)c3F)cc2C1	ZINC000849309810	654011824	/nfs/dbraw/zinc/01/18/24/654011824.db2.gz	MZBVGJWTMOQQQH-UHFFFAOYSA-N	-2	0	388.417	2.437	20	10		GECDRL
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)N1CCCOCC1	ZINC000378047301	532677698	/nfs/dbraw/zinc/67/76/98/532677698.db2.gz	VZTNMWUMZGCOHS-UHFFFAOYSA-N	-2	0	382.463	2.117	20	10		GECDRL
Cn1cc(-c2csc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])n2)cn1	ZINC000833041801	600984681	/nfs/dbraw/zinc/98/46/81/600984681.db2.gz	WHWKAEYYNMEJIV-UHFFFAOYSA-N	-2	0	382.398	2.182	20	10		GECDRL
Cn1cc(-c2csc([N-]S(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)n2)cn1	ZINC000833040880	601362112	/nfs/dbraw/zinc/36/21/12/601362112.db2.gz	KTQXVNUMBBVADX-QPJJXVBHSA-N	-2	0	390.446	2.442	20	10		GECDRL
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(OC(F)F)c1	ZINC000833321343	602201058	/nfs/dbraw/zinc/20/10/58/602201058.db2.gz	AQOMFDWLMMUVBA-UHFFFAOYSA-N	-2	0	385.304	2.323	20	10		GECDRL
CC(C)[C@H](O)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000269357544	646029999	/nfs/dbraw/zinc/02/99/99/646029999.db2.gz	ONDZVAOQTITJFB-CQSZACIVSA-N	-2	0	384.479	2.001	20	10		GECDRL
O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)cc2o1	ZINC000753522775	652409686	/nfs/dbraw/zinc/40/96/86/652409686.db2.gz	UDWJIAXMCUXAGY-UHFFFAOYSA-N	-2	0	385.741	2.189	20	10		GECDRL
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000808114200	653219314	/nfs/dbraw/zinc/21/93/14/653219314.db2.gz	UHRODESTJWELJY-UHFFFAOYSA-N	-2	0	377.781	2.194	20	10		GECDRL
Cc1nn2cc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)cnc2c1Cl	ZINC000775285982	653308054	/nfs/dbraw/zinc/30/80/54/653308054.db2.gz	HYPDLTHUWZQCPT-UHFFFAOYSA-N	-2	0	383.773	2.106	20	10		GECDRL
COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(O)cc2C)c(C(=O)[O-])c1C	ZINC000737717872	600679052	/nfs/dbraw/zinc/67/90/52/600679052.db2.gz	DUJGHYCDEYLEPZ-UHFFFAOYSA-N	-2	0	385.419	2.356	20	10		GECDRL
CN(CCCC(=O)[O-])C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000830768330	601387929	/nfs/dbraw/zinc/38/79/29/601387929.db2.gz	NLOGVSAYSZGEAK-UHFFFAOYSA-N	-2	0	398.462	2.191	20	10		GECDRL
CN(C)c1ccc([C@H](CNC(=O)c2c([O-])cc(F)cc2F)NC(=O)[O-])cc1	ZINC000828064853	603931923	/nfs/dbraw/zinc/93/19/23/603931923.db2.gz	ZYAFMNPXGRFRRU-AWEZNQCLSA-N	-2	0	379.363	2.475	20	10		GECDRL
Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(C)n1-c1ccccc1C	ZINC000833753194	605496354	/nfs/dbraw/zinc/49/63/54/605496354.db2.gz	NELMVYOMDNCKJY-UHFFFAOYSA-N	-2	0	378.450	2.327	20	10		GECDRL
C[C@H](CO)[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000270358011	532796178	/nfs/dbraw/zinc/79/61/78/532796178.db2.gz	QYFGHEAYSDIADO-MNOVXSKESA-N	-2	0	384.479	2.001	20	10		GECDRL
CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)s1	ZINC000775286440	653307771	/nfs/dbraw/zinc/30/77/71/653307771.db2.gz	RQDIOZOQACFXHZ-MRVPVSSYSA-N	-2	0	385.423	2.360	20	10		GECDRL
CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)s1	ZINC000775286441	653308126	/nfs/dbraw/zinc/30/81/26/653308126.db2.gz	RQDIOZOQACFXHZ-QMMMGPOBSA-N	-2	0	385.423	2.360	20	10		GECDRL
CSc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000792701885	653850133	/nfs/dbraw/zinc/85/01/33/653850133.db2.gz	GEYFRMOXOJKCJO-UHFFFAOYSA-N	-2	0	383.403	2.311	20	10		GECDRL
Cc1sc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)nc1-c1ccccc1	ZINC000833036910	600975248	/nfs/dbraw/zinc/97/52/48/600975248.db2.gz	PWNURBQKBVQKDP-UHFFFAOYSA-N	-2	0	378.435	2.200	20	10		GECDRL
CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)s1	ZINC000757657252	652519976	/nfs/dbraw/zinc/51/99/76/652519976.db2.gz	SRGRYNUDYFXZAX-QMMMGPOBSA-N	-2	0	384.435	2.150	20	10		GECDRL
O=C1Cc2cc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)c(Cl)cc2N1	ZINC000775287488	653307841	/nfs/dbraw/zinc/30/78/41/653307841.db2.gz	AJRVQZSWDRBHCG-UHFFFAOYSA-N	-2	0	383.769	2.249	20	10		GECDRL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc(-c2cnn(C)c2)cs1	ZINC000832919087	600984924	/nfs/dbraw/zinc/98/49/24/600984924.db2.gz	WSIMUTGDNLGDJF-UHFFFAOYSA-N	-2	0	378.435	2.351	20	10		GECDRL
Cn1cc(S(=O)(=O)[N-]c2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)nc1Cl	ZINC000833055339	602154573	/nfs/dbraw/zinc/15/45/73/602154573.db2.gz	HXUCFAFHIZTWAG-UHFFFAOYSA-N	-2	0	387.830	2.024	20	10		GECDRL
C[S@@](=O)Cc1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])n1	ZINC000762121676	652674429	/nfs/dbraw/zinc/67/44/29/652674429.db2.gz	OWOAQBLGRXIZDL-XMMPIXPASA-N	-2	0	399.475	2.183	20	10		GECDRL
NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c1	ZINC000766893105	652902392	/nfs/dbraw/zinc/90/23/92/652902392.db2.gz	YTUCHJJGECSCGQ-UHFFFAOYSA-N	-2	0	397.261	2.147	20	10		GECDRL
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c(Cl)c1	ZINC000776433412	653348598	/nfs/dbraw/zinc/34/85/98/653348598.db2.gz	UEFHRLJIGSSNIO-UHFFFAOYSA-N	-2	0	385.781	2.331	20	10		GECDRL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccnc2OCC(F)F)ccc1[O-]	ZINC000821198022	653792605	/nfs/dbraw/zinc/79/26/05/653792605.db2.gz	JRTKGLSFWKVKLP-UHFFFAOYSA-N	-2	0	375.309	2.140	20	10		GECDRL
CC(C)n1cc(S(=O)(=O)[N-]c2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cn1	ZINC000827186499	600975884	/nfs/dbraw/zinc/97/58/84/600975884.db2.gz	MHOAMTSGMNCJBT-UHFFFAOYSA-N	-2	0	381.439	2.415	20	10		GECDRL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc(-c2cnn(C)c2)cs1	ZINC000832867769	600984349	/nfs/dbraw/zinc/98/43/49/600984349.db2.gz	DYZKAMAFUJUKQB-UHFFFAOYSA-N	-2	0	378.435	2.351	20	10		GECDRL
COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000765076824	652821835	/nfs/dbraw/zinc/82/18/35/652821835.db2.gz	JDHHCXFANDELRU-UHFFFAOYSA-N	-2	0	383.769	2.384	20	10		GECDRL
O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000807838233	653206632	/nfs/dbraw/zinc/20/66/32/653206632.db2.gz	LOBJDCDBHIIQTP-UHFFFAOYSA-N	-2	0	381.175	2.378	20	10		GECDRL
C[C@@H](CO)[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000270358013	532796147	/nfs/dbraw/zinc/79/61/47/532796147.db2.gz	QYFGHEAYSDIADO-QWRGUYRKSA-N	-2	0	384.479	2.001	20	10		GECDRL
O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1	ZINC000833345313	601837104	/nfs/dbraw/zinc/83/71/04/601837104.db2.gz	UPZNYSYJMNIVIC-UHFFFAOYSA-N	-2	0	397.840	2.071	20	10		GECDRL
O=S(=O)([N-]c1cc(Cl)c([O-])c(Cl)c1)c1cccc(-n2cnnn2)c1	ZINC000120436646	643607296	/nfs/dbraw/zinc/60/72/96/643607296.db2.gz	QIRWRBYWBBFDKZ-UHFFFAOYSA-N	-2	0	386.220	2.476	20	10		GECDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2csc3ccccc32)ccc1[O-]	ZINC000795355485	653947645	/nfs/dbraw/zinc/94/76/45/653947645.db2.gz	ZFSGYZWALXWZDS-UHFFFAOYSA-N	-2	0	398.487	2.316	20	10		GECDRL
Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(C)n1-c1ccc(F)cc1	ZINC000738332565	600462540	/nfs/dbraw/zinc/46/25/40/600462540.db2.gz	JNSJQGPJXUTURF-UHFFFAOYSA-N	-2	0	382.413	2.158	20	10		GECDRL
C[C@H](CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)C(=O)[O-]	ZINC000827437294	601387381	/nfs/dbraw/zinc/38/73/81/601387381.db2.gz	YAYAKCSZXYTZOS-SNVBAGLBSA-N	-2	0	398.462	2.047	20	10		GECDRL
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c(Cl)c1	ZINC000757654655	652520138	/nfs/dbraw/zinc/52/01/38/652520138.db2.gz	GEVGXHLZYYUPFX-UHFFFAOYSA-N	-2	0	385.781	2.331	20	10		GECDRL
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1	ZINC000758161577	652532022	/nfs/dbraw/zinc/53/20/22/652532022.db2.gz	GTVYXAJUJJJGAS-UHFFFAOYSA-N	-2	0	397.261	2.147	20	10		GECDRL
CN(C)c1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1	ZINC000737375677	599739420	/nfs/dbraw/zinc/73/94/20/599739420.db2.gz	LYWSIRVFXBXPJH-UHFFFAOYSA-N	-2	0	390.421	2.089	20	10		GECDRL
Cc1[nH]nc(S(=O)(=O)[N-]c2nc(-c3ccc(F)cc3)cs2)c1C(=O)[O-]	ZINC000738334610	600422631	/nfs/dbraw/zinc/42/26/31/600422631.db2.gz	FWSHAGHVGNQELO-UHFFFAOYSA-N	-2	0	382.398	2.480	20	10		GECDRL
Cn1cc(-c2csc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])n2)cn1	ZINC000833041879	601847946	/nfs/dbraw/zinc/84/79/46/601847946.db2.gz	YKEDCBPOWRKCFA-UHFFFAOYSA-N	-2	0	382.398	2.182	20	10		GECDRL
CC(C)(CC(=O)[O-])NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000833455907	604714841	/nfs/dbraw/zinc/71/48/41/604714841.db2.gz	FKSGZPZMFOCQNJ-UHFFFAOYSA-N	-2	0	398.462	2.238	20	10		GECDRL
O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3cc(Cl)c([O-])c(Cl)c3)ccc21	ZINC000758162192	652531990	/nfs/dbraw/zinc/53/19/90/652531990.db2.gz	HWRGXNOPJMSYHI-UHFFFAOYSA-N	-2	0	387.200	2.383	20	10		GECDRL
COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cccc3nsnc32)c1OC	ZINC000525824370	600897797	/nfs/dbraw/zinc/89/77/97/600897797.db2.gz	LPOMZWDDNGPBSD-UHFFFAOYSA-N	-2	0	395.418	2.208	20	10		GECDRL
CN(C)c1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)NC(=O)[O-])cc1	ZINC000828063516	603931748	/nfs/dbraw/zinc/93/17/48/603931748.db2.gz	GAJNZLOATAEMPT-AWEZNQCLSA-N	-2	0	388.380	2.105	20	10		GECDRL
O=C([O-])CN1C(=O)/C(=C/c2ccc(OC(F)(F)C(=O)[O-])cc2)SC1=S	ZINC000730807190	651609228	/nfs/dbraw/zinc/60/92/28/651609228.db2.gz	RJZQLVIWMKEUAT-UITAMQMPSA-N	-2	0	389.357	2.029	20	10		GECDRL
O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000753782528	652415334	/nfs/dbraw/zinc/41/53/34/652415334.db2.gz	JBUVAMWXUPBGAJ-UHFFFAOYSA-N	-2	0	398.194	2.484	20	10		GECDRL
COC(=O)c1ccc(S(=O)(=O)[N-]c2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)o1	ZINC000737701689	599802219	/nfs/dbraw/zinc/80/22/19/599802219.db2.gz	GWHDCKWJJZXZET-UHFFFAOYSA-N	-2	0	397.390	2.017	20	10		GECDRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nc(-c3ccc(F)cc3)cs2)cn1	ZINC000833274068	600975560	/nfs/dbraw/zinc/97/55/60/600975560.db2.gz	NOSJEKMNBDCWMC-UHFFFAOYSA-N	-2	0	382.398	2.031	20	10		GECDRL
Cc1ccccc1-c1csc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1	ZINC000832975754	600976996	/nfs/dbraw/zinc/97/69/96/600976996.db2.gz	ZIAKOAFEPFALJX-UHFFFAOYSA-N	-2	0	378.435	2.200	20	10		GECDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)ccc1[O-]	ZINC000790408192	653791113	/nfs/dbraw/zinc/79/11/13/653791113.db2.gz	UPPUVVZTWGQLOZ-UHFFFAOYSA-N	-2	0	396.899	2.124	20	10		GECDRL
CNC(=O)c1cc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])ccc1Cl	ZINC000821157367	653791686	/nfs/dbraw/zinc/79/16/86/653791686.db2.gz	IROPXBANQQEXQI-UHFFFAOYSA-N	-2	0	376.768	2.484	20	10		GECDRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(-c3ccc4c(c3)OCO4)cs2)c[nH]1	ZINC000833306294	600977413	/nfs/dbraw/zinc/97/74/13/600977413.db2.gz	MWFCFXXWQLCDNR-UHFFFAOYSA-N	-2	0	393.402	2.366	20	10		GECDRL
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N=c2nc(-c3ccsc3)[n-]s2)c1	ZINC000363397467	647594717	/nfs/dbraw/zinc/59/47/17/647594717.db2.gz	POPFSWSWGUNKSG-UHFFFAOYSA-N	-2	0	396.475	2.018	20	10		GECDRL
CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)s1	ZINC000757657250	652520131	/nfs/dbraw/zinc/52/01/31/652520131.db2.gz	SRGRYNUDYFXZAX-MRVPVSSYSA-N	-2	0	384.435	2.150	20	10		GECDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C)ccc2Cl)ccc1[O-]	ZINC000790408250	653791144	/nfs/dbraw/zinc/79/11/44/653791144.db2.gz	UXYFAGPZYKLNGH-UHFFFAOYSA-N	-2	0	390.870	2.063	20	10		GECDRL
O=C([O-])CCCN1C(=O)/C(=C\c2ccccc2OCC(=O)[O-])SC1=S	ZINC000005770319	531521188	/nfs/dbraw/zinc/52/11/88/531521188.db2.gz	NSBISACXARLPTL-XYOKQWHBSA-N	-2	0	381.431	2.216	20	10		GECDRL
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nc(-c2cnn(C)c2)cs1	ZINC000832853000	600984019	/nfs/dbraw/zinc/98/40/19/600984019.db2.gz	PONOANBEGPWOLH-UHFFFAOYSA-N	-2	0	378.435	2.351	20	10		GECDRL
CC(C)(CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)C(=O)[O-]	ZINC000826596028	601818429	/nfs/dbraw/zinc/81/84/29/601818429.db2.gz	FWDHMMYMUYTLPP-UHFFFAOYSA-N	-2	0	398.462	2.095	20	10		GECDRL
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000326783761	647305141	/nfs/dbraw/zinc/30/51/41/647305141.db2.gz	VBIPKSXRCUSVID-UHFFFAOYSA-N	-2	0	385.781	2.331	20	10		GECDRL
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000775286374	653307865	/nfs/dbraw/zinc/30/78/65/653307865.db2.gz	FUSJJSKJWQTUMW-UHFFFAOYSA-N	-2	0	385.781	2.331	20	10		GECDRL
COc1cc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000098038507	208365559	/nfs/dbraw/zinc/36/55/59/208365559.db2.gz	SFCADGYTKBOQTN-YRNVUSSQSA-N	-2	0	398.418	2.375	20	10		GECDRL
Cc1[nH]nc(S(=O)(=O)[N-]c2nc(-c3cccc(F)c3)cs2)c1C(=O)[O-]	ZINC000738335382	600422849	/nfs/dbraw/zinc/42/28/49/600422849.db2.gz	OVFSGPWZBRFMIU-UHFFFAOYSA-N	-2	0	382.398	2.480	20	10		GECDRL
O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000833262048	602201118	/nfs/dbraw/zinc/20/11/18/602201118.db2.gz	ABYQMFXIXONFTP-UHFFFAOYSA-N	-2	0	379.419	2.341	20	10		GECDRL
CC(C)[C@@H](O)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000269357540	646030062	/nfs/dbraw/zinc/03/00/62/646030062.db2.gz	ONDZVAOQTITJFB-AWEZNQCLSA-N	-2	0	384.479	2.001	20	10		GECDRL
C[S@](=O)Cc1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])n1	ZINC000762121675	652674394	/nfs/dbraw/zinc/67/43/94/652674394.db2.gz	OWOAQBLGRXIZDL-DEOSSOPVSA-N	-2	0	399.475	2.183	20	10		GECDRL
O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1	ZINC000808113741	653219053	/nfs/dbraw/zinc/21/90/53/653219053.db2.gz	IEURWOGOFVNRSK-UHFFFAOYSA-N	-3	0	389.744	2.382	20	10		GECDRL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cn1	ZINC000794593016	653912924	/nfs/dbraw/zinc/91/29/24/653912924.db2.gz	OVIAIWSUYXWAKC-UHFFFAOYSA-N	-2	0	397.261	2.298	20	10		GECDRL
Cc1ccc(-c2csc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)n2)s1	ZINC000832907453	600976691	/nfs/dbraw/zinc/97/66/91/600976691.db2.gz	XNAHAXDFBYFYLF-UHFFFAOYSA-N	-2	0	384.464	2.262	20	10		GECDRL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1	ZINC000758163221	652532088	/nfs/dbraw/zinc/53/20/88/652532088.db2.gz	PARWDWYQSWXQNL-UHFFFAOYSA-N	-2	0	380.209	2.318	20	10		GECDRL
COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000776434699	653349111	/nfs/dbraw/zinc/34/91/11/653349111.db2.gz	KJEOYOFETIRBJT-UHFFFAOYSA-N	-2	0	385.781	2.331	20	10		GECDRL
COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000790067810	653786494	/nfs/dbraw/zinc/78/64/94/653786494.db2.gz	FPWJCDPSIISWIL-UHFFFAOYSA-N	-2	0	385.781	2.331	20	10		GECDRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nc(-c3cccc(F)c3)cs2)cn1	ZINC000833274227	600977336	/nfs/dbraw/zinc/97/73/36/600977336.db2.gz	UKJTXKBXEFDBFR-UHFFFAOYSA-N	-2	0	382.398	2.031	20	10		GECDRL
CCn1cnc(S(=O)(=O)[N-]c2nc(-c3ccccc3)c(CC(=O)[O-])s2)c1	ZINC000830429676	601359016	/nfs/dbraw/zinc/35/90/16/601359016.db2.gz	JLTNRAROKSOLFE-UHFFFAOYSA-N	-2	0	392.462	2.454	20	10		GECDRL
CCn1cc(S(=O)(=O)[N-]c2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)nc1C	ZINC000833683725	604510490	/nfs/dbraw/zinc/51/04/90/604510490.db2.gz	TYRBTKOMEPCWDL-UHFFFAOYSA-N	-2	0	381.439	2.162	20	10		GECDRL
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccsc2)cc1OC	ZINC000795303030	653944088	/nfs/dbraw/zinc/94/40/88/653944088.db2.gz	DGQZDKKKWCDECJ-UHFFFAOYSA-N	-2	0	376.481	2.319	20	10		GECDRL
C[C@@H](CO)[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000270358015	532796333	/nfs/dbraw/zinc/79/63/33/532796333.db2.gz	QYFGHEAYSDIADO-WDEREUQCSA-N	-2	0	384.479	2.001	20	10		GECDRL
Cc1sc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)nc1-c1ccc(F)cc1	ZINC000833036875	600977546	/nfs/dbraw/zinc/97/75/46/600977546.db2.gz	OSJYPIOMPOHGSQ-UHFFFAOYSA-N	-2	0	396.425	2.340	20	10		GECDRL
O=C([O-])COc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1Cl	ZINC000833259703	604810457	/nfs/dbraw/zinc/81/04/57/604810457.db2.gz	RTMDGFVMCUBMPX-UHFFFAOYSA-N	-2	0	383.769	2.140	20	10		GECDRL
COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000534400690	650774039	/nfs/dbraw/zinc/77/40/39/650774039.db2.gz	GZEJSQZQROPZRN-UHFFFAOYSA-N	-2	0	383.382	2.338	20	10		GECDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2Cl)ccc1[O-]	ZINC000790408145	653791026	/nfs/dbraw/zinc/79/10/26/653791026.db2.gz	UDSTXIZWFPTHAP-UHFFFAOYSA-N	-2	0	390.870	2.063	20	10		GECDRL
Cc1ccc(-c2csc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)n2)cc1	ZINC000832907423	600975513	/nfs/dbraw/zinc/97/55/13/600975513.db2.gz	WOLCXBCNJALTSO-UHFFFAOYSA-N	-2	0	378.435	2.200	20	10		GECDRL
Cn1cc(-c2csc([N-]S(=O)(=O)c3ccc(/C=C\C(=O)[O-])cc3)n2)cn1	ZINC000833040878	601362149	/nfs/dbraw/zinc/36/21/49/601362149.db2.gz	KTQXVNUMBBVADX-DAXSKMNVSA-N	-2	0	390.446	2.442	20	10		GECDRL
O=C([O-])NCCOc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000740669395	602448376	/nfs/dbraw/zinc/44/83/76/602448376.db2.gz	YWMDMNBVGWCPFS-UHFFFAOYSA-N	-2	0	394.434	2.139	20	10		GECDRL
CN(C)c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c(C(=O)[O-])c1	ZINC000548200263	651067583	/nfs/dbraw/zinc/06/75/83/651067583.db2.gz	KAWCMTWGPMUAEG-UHFFFAOYSA-N	-2	0	378.435	2.256	20	10		GECDRL
CCc1ccc(-c2csc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)n2)cc1	ZINC000830228899	600974950	/nfs/dbraw/zinc/97/49/50/600974950.db2.gz	HIECQUSQFSZPEB-UHFFFAOYSA-N	-2	0	392.462	2.454	20	10		GECDRL
CCn1nc(C)c(S(=O)(=O)[N-]c2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c1C	ZINC000830441002	600976824	/nfs/dbraw/zinc/97/68/24/600976824.db2.gz	ODVLWGLEXZLZID-UHFFFAOYSA-N	-2	0	395.466	2.470	20	10		GECDRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nc(-c3ccccc3F)cs2)cn1	ZINC000833274314	600977540	/nfs/dbraw/zinc/97/75/40/600977540.db2.gz	YVKNKAATDIAMAE-UHFFFAOYSA-N	-2	0	382.398	2.031	20	10		GECDRL
COc1ccc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)cc1C(=O)[O-]	ZINC000832468781	600984204	/nfs/dbraw/zinc/98/42/04/600984204.db2.gz	ORPYEYSXWVGEDY-UHFFFAOYSA-N	-2	0	394.434	2.051	20	10		GECDRL
CC(C)Cn1cnc(S(=O)(=O)[N-]c2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c1	ZINC000826924337	601474183	/nfs/dbraw/zinc/47/41/83/601474183.db2.gz	CNFYKCSTAAPYQJ-UHFFFAOYSA-N	-2	0	395.466	2.490	20	10		GECDRL
O=C([O-])CCCN1C(=O)/C(=C\c2cccc(OCC(=O)[O-])c2)SC1=S	ZINC000210568489	645384054	/nfs/dbraw/zinc/38/40/54/645384054.db2.gz	RKFBPARPEVVYOC-XYOKQWHBSA-N	-2	0	381.431	2.216	20	10		GECDRL
Cn1cnc(S(=O)(=O)[N-]c2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c1Cl	ZINC000739050387	600055355	/nfs/dbraw/zinc/05/53/55/600055355.db2.gz	YHYLHZYYGMSKEX-UHFFFAOYSA-N	-2	0	387.830	2.024	20	10		GECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3nsnc32)cc([N+](=O)[O-])c1	ZINC000531429905	600690537	/nfs/dbraw/zinc/69/05/37/600690537.db2.gz	KAZSHVDWAVSMLD-UHFFFAOYSA-N	-2	0	380.363	2.099	20	10		GECDRL
Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000833754099	605190867	/nfs/dbraw/zinc/19/08/67/605190867.db2.gz	HFNYUTKCXMMIAS-UHFFFAOYSA-N	-2	0	399.388	2.216	20	10		GECDRL
CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000753022508	652398109	/nfs/dbraw/zinc/39/81/09/652398109.db2.gz	XQRJRLCZSBHZQR-UHFFFAOYSA-N	-2	0	377.390	2.265	20	10		GECDRL
COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000757654883	652519965	/nfs/dbraw/zinc/51/99/65/652519965.db2.gz	HPZXVCHNVVZUCE-UHFFFAOYSA-N	-2	0	385.781	2.331	20	10		GECDRL
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000775287551	653308131	/nfs/dbraw/zinc/30/81/31/653308131.db2.gz	PHWNYQFFHFNOIS-UHFFFAOYSA-N	-2	0	385.781	2.331	20	10		GECDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2	ZINC000776433560	653348577	/nfs/dbraw/zinc/34/85/77/653348577.db2.gz	VRSVJJOMLZCXDG-UHFFFAOYSA-N	-2	0	385.781	2.316	20	10		GECDRL
Cc1[nH]nc(S(=O)(=O)[N-]c2nc3c(s2)CCc2ccccc2-3)c1C(=O)[O-]	ZINC000738335876	600422872	/nfs/dbraw/zinc/42/28/72/600422872.db2.gz	YTMPAYMBISKPJB-UHFFFAOYSA-N	-2	0	390.446	2.439	20	10		GECDRL
O=C([O-])CN1C(=O)/C(=C\c2ccc(OC(F)(F)C(=O)[O-])cc2)SC1=S	ZINC000730807191	651609372	/nfs/dbraw/zinc/60/93/72/651609372.db2.gz	RJZQLVIWMKEUAT-WEVVVXLNSA-N	-2	0	389.357	2.029	20	10		GECDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1Br	ZINC000746598523	652116224	/nfs/dbraw/zinc/11/62/24/652116224.db2.gz	GZHNVBUZKBSKMV-UHFFFAOYSA-N	-2	0	398.194	2.484	20	10		GECDRL
CO[C@@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)C1	ZINC000752819742	652393947	/nfs/dbraw/zinc/39/39/47/652393947.db2.gz	BPHVCOLBLCSHGH-GFCCVEGCSA-N	-2	0	382.463	2.115	20	10		GECDRL
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000779459925	653478118	/nfs/dbraw/zinc/47/81/18/653478118.db2.gz	VNMJKUCEOAIUEN-UHFFFAOYSA-N	-2	0	385.781	2.331	20	10		GECDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2Cl)ccc1[O-]	ZINC000790407069	653791126	/nfs/dbraw/zinc/79/11/26/653791126.db2.gz	RVQAAOFDIFLPBL-UHFFFAOYSA-N	-2	0	390.870	2.063	20	10		GECDRL
Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(C)n1-c1cccc(C)c1	ZINC000738681372	600460181	/nfs/dbraw/zinc/46/01/81/600460181.db2.gz	VAXBQBNYFGHRMX-UHFFFAOYSA-N	-2	0	378.450	2.327	20	10		GECDRL
O=C([O-])CCCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000833225762	601210235	/nfs/dbraw/zinc/21/02/35/601210235.db2.gz	PGZCVTBFVXZRFX-UHFFFAOYSA-N	-2	0	398.462	2.239	20	10		GECDRL
Cn1cc(-c2csc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)n2)cn1	ZINC000833040634	601361868	/nfs/dbraw/zinc/36/18/68/601361868.db2.gz	DVYHSULUOJPGCV-UHFFFAOYSA-N	-2	0	382.398	2.182	20	10		GECDRL
CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cn1C	ZINC000758162456	652532011	/nfs/dbraw/zinc/53/20/11/652532011.db2.gz	MLKVKWXIALTWEG-UHFFFAOYSA-N	-2	0	378.237	2.198	20	10		GECDRL
NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1	ZINC000758164164	652532112	/nfs/dbraw/zinc/53/21/12/652532112.db2.gz	VBNGVDKCQPHDLU-UHFFFAOYSA-N	-2	0	397.261	2.147	20	10		GECDRL
CN(C)c1ccc([C@@H](CNC(=O)c2c([O-])cc(F)cc2F)NC(=O)[O-])cc1	ZINC000828064854	603931956	/nfs/dbraw/zinc/93/19/56/603931956.db2.gz	ZYAFMNPXGRFRRU-CQSZACIVSA-N	-2	0	379.363	2.475	20	10		GECDRL
O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000551912003	651136105	/nfs/dbraw/zinc/13/61/05/651136105.db2.gz	XOGPXLCXDQQXNO-UHFFFAOYSA-N	-2	0	379.419	2.346	20	10		GECDRL
COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000776433547	653348636	/nfs/dbraw/zinc/34/86/36/653348636.db2.gz	VHFODIXNKUINFS-UHFFFAOYSA-N	-2	0	385.781	2.331	20	10		GECDRL
CCn1cc(S(=O)(=O)[N-]c2nc(-c3ccccc3)c(CC(=O)[O-])s2)cn1	ZINC000737303433	600056010	/nfs/dbraw/zinc/05/60/10/600056010.db2.gz	ZADSTTVNICLCCX-UHFFFAOYSA-N	-2	0	392.462	2.454	20	10		GECDRL
Cc1ccc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)cc1C(=O)[O-]	ZINC000832956723	600830469	/nfs/dbraw/zinc/83/04/69/600830469.db2.gz	XOEVJMRSSDFQNE-UHFFFAOYSA-N	-2	0	378.435	2.351	20	10		GECDRL
Cc1cccc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)c1C(=O)[O-]	ZINC000832972933	600984879	/nfs/dbraw/zinc/98/48/79/600984879.db2.gz	QIWDZTSYRSDHNL-UHFFFAOYSA-N	-2	0	378.435	2.351	20	10		GECDRL
O=C([O-])COc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)cc1	ZINC000808115443	653219713	/nfs/dbraw/zinc/21/97/13/653219713.db2.gz	DMONYDSREGUZAN-UHFFFAOYSA-N	-2	0	375.761	2.449	20	10		GECDRL
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl	ZINC000775286971	653308155	/nfs/dbraw/zinc/30/81/55/653308155.db2.gz	SJMWLIMVNVFCEW-UHFFFAOYSA-N	-2	0	385.781	2.331	20	10		GECDRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c(F)cc1F	ZINC000740089711	600234210	/nfs/dbraw/zinc/23/42/10/600234210.db2.gz	IVRIOQWOJNHQTG-UHFFFAOYSA-N	-2	0	398.387	2.300	20	10		GECDRL
Cc1cc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)ccc1C(=O)[O-]	ZINC000832904590	600984044	/nfs/dbraw/zinc/98/40/44/600984044.db2.gz	ULIIVILCXQJARO-UHFFFAOYSA-N	-2	0	378.435	2.351	20	10		GECDRL
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000326476410	647304555	/nfs/dbraw/zinc/30/45/55/647304555.db2.gz	JUVUIYZBUSVWHQ-UHFFFAOYSA-N	-2	0	385.781	2.331	20	10		GECDRL
COC(=O)c1ncsc1S(=O)(=O)[N-]Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000805135151	653099877	/nfs/dbraw/zinc/09/98/77/653099877.db2.gz	HFDSADWCYZIULI-UHFFFAOYSA-N	-2	0	397.261	2.421	20	10		GECDRL
O=C([O-])C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCOCC1	ZINC000831057105	654158140	/nfs/dbraw/zinc/15/81/40/654158140.db2.gz	BDYYMZVHCBLTHS-UHFFFAOYSA-N	-2	0	377.224	2.380	20	10		GECDRL
C[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)[C@H](C)CO	ZINC000270358009	532795999	/nfs/dbraw/zinc/79/59/99/532795999.db2.gz	QYFGHEAYSDIADO-GHMZBOCLSA-N	-2	0	384.479	2.001	20	10		GECDRL
O=C([O-])CCCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)SC1=S	ZINC000016937354	221373701	/nfs/dbraw/zinc/37/37/01/221373701.db2.gz	ZJZWSMVJMSTYPE-WQLSENKSSA-N	-2	0	381.431	2.216	20	10		GECDRL
COC(=O)c1cc(-c2csc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)n2)c[nH]1	ZINC000737648037	599802350	/nfs/dbraw/zinc/80/23/50/599802350.db2.gz	AZLXSZUUVPYKJN-UHFFFAOYSA-N	-2	0	397.390	2.017	20	10		GECDRL
COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(O)cc1C	ZINC000737653003	600678518	/nfs/dbraw/zinc/67/85/18/600678518.db2.gz	XPZUSPZQIFCFEM-UHFFFAOYSA-N	-2	0	385.419	2.356	20	10		GECDRL
O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000833295911	602196523	/nfs/dbraw/zinc/19/65/23/602196523.db2.gz	KUWCQFYPRPJEHK-UHFFFAOYSA-N	-2	0	398.194	2.484	20	10		GECDRL
CN(C)c1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)NC(=O)[O-])cc1	ZINC000828063517	603931875	/nfs/dbraw/zinc/93/18/75/603931875.db2.gz	GAJNZLOATAEMPT-CQSZACIVSA-N	-2	0	388.380	2.105	20	10		GECDRL
Cn1ccsc1=NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000255628605	645583912	/nfs/dbraw/zinc/58/39/12/645583912.db2.gz	IPUAXARPCCAPMA-UHFFFAOYSA-N	-2	0	395.487	2.396	20	10		GECDRL
COc1ccc(-n2c(C)cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c2C)cc1	ZINC000737917109	600465502	/nfs/dbraw/zinc/46/55/02/600465502.db2.gz	BENYEPKKSJVRHP-UHFFFAOYSA-N	-2	0	394.449	2.027	20	10		GECDRL
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1	ZINC000322860768	647296193	/nfs/dbraw/zinc/29/61/93/647296193.db2.gz	CFWATDHLMWMZHM-UHFFFAOYSA-N	-2	0	380.209	2.400	20	10		GECDRL
O=C([O-])c1c([N-]S(=O)(=O)c2cccc3nsnc32)cccc1[N+](=O)[O-]	ZINC000570750027	651789031	/nfs/dbraw/zinc/78/90/31/651789031.db2.gz	LZZJUUSJHJKTFM-UHFFFAOYSA-N	-2	0	380.363	2.099	20	10		GECDRL
O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)ccc1O	ZINC000767736949	652947108	/nfs/dbraw/zinc/94/71/08/652947108.db2.gz	JTJFSMNRLUTAGG-UHFFFAOYSA-N	-2	0	389.744	2.382	20	10		GECDRL
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000808113959	653219107	/nfs/dbraw/zinc/21/91/07/653219107.db2.gz	OCBFDMIJDSJFEU-UHFFFAOYSA-N	-2	0	379.818	2.389	20	10		GECDRL