smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cc1NC(=O)[O-]	ZINC000739925000	603194644	/nfs/dbraw/zinc/19/46/44/603194644.db2.gz	YIAGSKQHYBZCKQ-UHFFFAOYSA-N	-2	2	385.336	2.095	20	0		GEADLL
COc1cc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)ccc1NC(=O)[O-]	ZINC000829198330	603665436	/nfs/dbraw/zinc/66/54/36/603665436.db2.gz	SZVUSSQNVJRYRK-UHFFFAOYSA-N	-2	2	385.336	2.095	20	0		GEADLL
O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1	ZINC000756936144	652509208	/nfs/dbraw/zinc/50/92/08/652509208.db2.gz	HVNOTWAWDLDJNG-UHFFFAOYSA-N	-2	2	375.280	2.301	20	0		GEADLL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC000737717828	599815082	/nfs/dbraw/zinc/81/50/82/599815082.db2.gz	OJYOARBLHVFQOY-UHFFFAOYSA-N	-2	2	399.402	2.040	20	0		GEADLL
O=C([O-])CCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1	ZINC000833227165	601251255	/nfs/dbraw/zinc/25/12/55/601251255.db2.gz	BRFSNMYQQCDITM-UHFFFAOYSA-N	-2	2	395.389	2.135	20	0		GEADLL
C[C@@H](NC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1	ZINC000825448047	603500652	/nfs/dbraw/zinc/50/06/52/603500652.db2.gz	AOJGNVLJHBBHJN-SECBINFHSA-N	-2	2	380.378	2.220	20	0		GEADLL
Cc1cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])[n-]c2nc(=O)[nH]c(=O)c1-2	ZINC000829966455	603735459	/nfs/dbraw/zinc/73/54/59/603735459.db2.gz	ZRNSSSNXTHZEPI-UHFFFAOYSA-N	-2	2	381.348	2.037	20	0		GEADLL
CC(C)(C)c1cc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)n[nH]1	ZINC000676351032	532741695	/nfs/dbraw/zinc/74/16/95/532741695.db2.gz	LNBIFFJCQBCZMU-UHFFFAOYSA-N	-2	2	390.462	2.019	20	0		GEADLL
COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1	ZINC000737939953	600233799	/nfs/dbraw/zinc/23/37/99/600233799.db2.gz	OBICAUWKLKUEFC-UHFFFAOYSA-N	-2	2	387.316	2.171	20	0		GEADLL
CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000267880420	601575741	/nfs/dbraw/zinc/57/57/41/601575741.db2.gz	PJMJFXKWUJCHJB-UHFFFAOYSA-N	-2	2	382.394	2.011	20	0		GEADLL
CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000267876695	601575982	/nfs/dbraw/zinc/57/59/82/601575982.db2.gz	NXMISEJGBCUQJG-UHFFFAOYSA-N	-2	2	382.394	2.010	20	0		GEADLL
O=C([O-])c1nscc1S(=O)(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1	ZINC000833301475	601839141	/nfs/dbraw/zinc/83/91/41/601839141.db2.gz	ZSZQINYONGIHPI-UHFFFAOYSA-N	-2	2	396.324	2.359	20	0		GEADLL
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)c(C)c1OCC(=O)[O-]	ZINC000832955808	602115093	/nfs/dbraw/zinc/11/50/93/602115093.db2.gz	LAKXWUXVCDLSNJ-UHFFFAOYSA-N	-2	2	385.419	2.327	20	0		GEADLL
CCc1cnc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)s1	ZINC000437329740	532656063	/nfs/dbraw/zinc/65/60/63/532656063.db2.gz	QFHPOLDIVJUYOW-UHFFFAOYSA-N	-2	2	379.460	2.017	20	0		GEADLL
O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC000833322189	604400249	/nfs/dbraw/zinc/40/02/49/604400249.db2.gz	YHYJVVGPGWJLOI-UHFFFAOYSA-N	-2	2	396.324	2.359	20	0		GEADLL
Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000833741270	605126569	/nfs/dbraw/zinc/12/65/69/605126569.db2.gz	FHXTZWCACUDCCW-UHFFFAOYSA-N	-2	2	389.382	2.158	20	0		GEADLL
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])c1OC	ZINC000831913897	601863015	/nfs/dbraw/zinc/86/30/15/601863015.db2.gz	WWFOCFUMYFYFIX-UHFFFAOYSA-N	-2	2	399.352	2.040	20	0		GEADLL
COc1cc(C)[nH]c(=NNS(=O)(=O)c2cc(Br)ccc2F)n1	ZINC000176719723	644403791	/nfs/dbraw/zinc/40/37/91/644403791.db2.gz	ADAYYSNJTFVXEO-UHFFFAOYSA-N	-2	2	391.222	2.001	20	0		GEADLL
Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000832934281	601881705	/nfs/dbraw/zinc/88/17/05/601881705.db2.gz	NKWRSGNCJZTORD-UHFFFAOYSA-N	-2	2	376.799	2.302	20	0		GEADLL
O=C([O-])c1nscc1NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC000833306268	604633749	/nfs/dbraw/zinc/63/37/49/604633749.db2.gz	MILKEHQEQZQYDI-UHFFFAOYSA-N	-2	2	380.762	2.133	20	0		GEADLL
Cc1cc(F)c(S(=O)(=O)Nc2cccc(OCC(=O)[O-])c2)cc1C(=O)[O-]	ZINC000833744385	605168406	/nfs/dbraw/zinc/16/84/06/605168406.db2.gz	DSSUEVXCTKMWSP-UHFFFAOYSA-N	-2	2	383.353	2.097	20	0		GEADLL
COc1cc(O)cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)c1	ZINC000826181319	609530285	/nfs/dbraw/zinc/53/02/85/609530285.db2.gz	UVTIJUGRILWBFF-UHFFFAOYSA-N	-2	2	381.801	2.035	20	0		GEADLL
CNS(=O)(=O)c1c(F)cccc1NS(=O)(=O)c1ccc2c(c1)CCC2	ZINC000570704670	651784937	/nfs/dbraw/zinc/78/49/37/651784937.db2.gz	LLAVSPHLZXYATD-UHFFFAOYSA-N	-2	2	384.454	2.023	20	0		GEADLL
O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])c(F)cc1F	ZINC000740086950	600235255	/nfs/dbraw/zinc/23/52/55/600235255.db2.gz	DLBLAHUCZHDSLH-UHFFFAOYSA-N	-2	2	393.270	2.440	20	0		GEADLL
CN(Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1)C(=O)[O-]	ZINC000830840808	600815950	/nfs/dbraw/zinc/81/59/50/600815950.db2.gz	RPXUJOMHYFFGOO-UHFFFAOYSA-N	-2	2	382.369	2.435	20	0		GEADLL
O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(Br)o1	ZINC000833331957	602112062	/nfs/dbraw/zinc/11/20/62/602112062.db2.gz	VCZZNKRVIUPHDX-UHFFFAOYSA-N	-2	2	390.167	2.239	20	0		GEADLL
O=C(c1cc(Br)c(F)cc1O)N1CCC(c2n[nH]c(=O)o2)CC1	ZINC000425318468	532383132	/nfs/dbraw/zinc/38/31/32/532383132.db2.gz	IDANPVRBPZMYOS-UHFFFAOYSA-N	-2	2	386.177	2.402	20	0		GEADLL
CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000438762075	532676435	/nfs/dbraw/zinc/67/64/35/532676435.db2.gz	USQSWBXLHKUPSB-UHFFFAOYSA-N	-2	2	389.382	2.483	20	0		GEADLL
Cc1cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)[n-]c2nc(=O)[nH]c(=O)c1-2	ZINC000832865119	600947095	/nfs/dbraw/zinc/94/70/95/600947095.db2.gz	NOBISBDBAYHCBH-UHFFFAOYSA-N	-2	2	398.375	2.240	20	0		GEADLL
Cc1cc(C(=O)Nc2ccccc2CN(C)C(=O)[O-])[n-]c2nc(=O)[nH]c(=O)c1-2	ZINC000829965764	603704545	/nfs/dbraw/zinc/70/45/45/603704545.db2.gz	IAIPTQARXPPODC-UHFFFAOYSA-N	-2	2	383.364	2.107	20	0		GEADLL
COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000532038235	604504241	/nfs/dbraw/zinc/50/42/41/604504241.db2.gz	ZUHULIFBRCZLBC-UHFFFAOYSA-N	-2	2	383.378	2.113	20	0		GEADLL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(OCC(=O)[O-])c2)c1F	ZINC000832866169	601224422	/nfs/dbraw/zinc/22/44/22/601224422.db2.gz	HVXXAINLUPWPNY-UHFFFAOYSA-N	-2	2	383.353	2.097	20	0		GEADLL
COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c(C(=O)[O-])c1	ZINC000758164677	604632670	/nfs/dbraw/zinc/63/26/70/604632670.db2.gz	QTPPPVMXVCZEOB-UHFFFAOYSA-N	-2	2	387.316	2.171	20	0		GEADLL
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc2)[nH]1	ZINC000833776320	604799604	/nfs/dbraw/zinc/79/96/04/604799604.db2.gz	UBWHQBHLKXMZSC-UHFFFAOYSA-N	-2	2	387.779	2.404	20	0		GEADLL
O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c1	ZINC000756930828	652508869	/nfs/dbraw/zinc/50/88/69/652508869.db2.gz	HBFHGEUDQNHRPM-UHFFFAOYSA-N	-2	2	375.280	2.301	20	0		GEADLL
CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000443367592	601249718	/nfs/dbraw/zinc/24/97/18/601249718.db2.gz	BUCCCIMAYSGOLT-UHFFFAOYSA-N	-2	2	395.389	2.377	20	0		GEADLL
Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000369053672	647768090	/nfs/dbraw/zinc/76/80/90/647768090.db2.gz	HRLSZIPGNNWLDD-UHFFFAOYSA-N	-2	2	380.407	2.046	20	0		GEADLL
O=C([O-])CSCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1	ZINC000833262061	601250115	/nfs/dbraw/zinc/25/01/15/601250115.db2.gz	AGSKJGCTAXLGMG-UHFFFAOYSA-N	-2	2	397.430	2.209	20	0		GEADLL
COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C	ZINC000533689107	650764254	/nfs/dbraw/zinc/76/42/54/650764254.db2.gz	BPRFFNPMKQMOMC-UHFFFAOYSA-N	-2	2	389.382	2.401	20	0		GEADLL
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1C(=O)[O-]	ZINC000547869398	651048522	/nfs/dbraw/zinc/04/85/22/651048522.db2.gz	GSGGPSHDNQWHQZ-UHFFFAOYSA-N	-2	2	375.280	2.301	20	0		GEADLL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000737719187	599868629	/nfs/dbraw/zinc/86/86/29/599868629.db2.gz	WMOYIHZSQMKTIR-UHFFFAOYSA-N	-2	2	399.402	2.040	20	0		GEADLL
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])c1	ZINC000740143759	600069362	/nfs/dbraw/zinc/06/93/62/600069362.db2.gz	JEXGWXPPVMSSSR-UHFFFAOYSA-N	-2	2	375.280	2.301	20	0		GEADLL
CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000737202019	601116543	/nfs/dbraw/zinc/11/65/43/601116543.db2.gz	DPTYLACFQBJJEI-UHFFFAOYSA-N	-2	2	389.382	2.483	20	0		GEADLL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000737716961	599816064	/nfs/dbraw/zinc/81/60/64/599816064.db2.gz	FGUYCZLNHUQRAS-UHFFFAOYSA-N	-2	2	399.402	2.040	20	0		GEADLL
Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)[n-]c2nc(=O)[nH]c(=O)c1-2	ZINC000832865168	600915658	/nfs/dbraw/zinc/91/56/58/600915658.db2.gz	QOWVQHGZBDLPGW-UHFFFAOYSA-N	-2	2	398.375	2.482	20	0		GEADLL
O=C([O-])c1nscc1S(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-]	ZINC000833308898	601838109	/nfs/dbraw/zinc/83/81/09/601838109.db2.gz	WIUMAAWRQOLKIX-UHFFFAOYSA-N	-2	2	378.387	2.494	20	0		GEADLL
CCOc1cccc(NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)n1	ZINC000821430672	653798489	/nfs/dbraw/zinc/79/84/89/653798489.db2.gz	CBBYNOFGKZQUDN-UHFFFAOYSA-N	-2	2	380.817	2.115	20	0		GEADLL
COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1	ZINC000749140744	601224119	/nfs/dbraw/zinc/22/41/19/601224119.db2.gz	BDZHVEVLTRGHOT-UHFFFAOYSA-N	-2	2	383.353	2.340	20	0		GEADLL
Cc1cc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)[n-]c2nc(=O)[nH]c(=O)c1-2	ZINC000829965793	603865693	/nfs/dbraw/zinc/86/56/93/603865693.db2.gz	JHWYRRJWQHIYAR-VIFPVBQESA-N	-2	2	383.364	2.325	20	0		GEADLL
O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000439621613	532699350	/nfs/dbraw/zinc/69/93/50/532699350.db2.gz	CKMHYDGBRCWLGK-UHFFFAOYSA-N	-2	2	383.403	2.295	20	0		GEADLL
O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c(F)cc1F	ZINC000140575253	600233302	/nfs/dbraw/zinc/23/33/02/600233302.db2.gz	DFJJMPIXBDPFJQ-UHFFFAOYSA-N	-2	2	375.280	2.301	20	0		GEADLL
O=C([O-])CCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1	ZINC000739687565	600489663	/nfs/dbraw/zinc/48/96/63/600489663.db2.gz	QMTLZUGBZCIYMM-UHFFFAOYSA-N	-2	2	385.419	2.491	20	0		GEADLL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000831469997	600690617	/nfs/dbraw/zinc/69/06/17/600690617.db2.gz	AXIZNZKQKBFWPE-UHFFFAOYSA-N	-2	2	399.402	2.040	20	0		GEADLL
COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1NC(=O)[O-]	ZINC000829197653	603528144	/nfs/dbraw/zinc/52/81/44/603528144.db2.gz	IBDKRVYTDAWOLY-UHFFFAOYSA-N	-2	2	384.341	2.423	20	0		GEADLL
O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1cncc(F)c1	ZINC000468819652	532476309	/nfs/dbraw/zinc/47/63/09/532476309.db2.gz	DWUXPRGPUGKPER-UHFFFAOYSA-N	-2	2	379.398	2.125	20	0		GEADLL
CN(Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1)C(=O)[O-]	ZINC000830839568	601250919	/nfs/dbraw/zinc/25/09/19/601250919.db2.gz	BIVSXXPNMKHWGY-UHFFFAOYSA-N	-2	2	380.378	2.001	20	0		GEADLL
O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC000759168264	602308807	/nfs/dbraw/zinc/30/88/07/602308807.db2.gz	OKIPMHWZBVMCEL-UHFFFAOYSA-N	-2	2	395.364	2.372	20	0		GEADLL
COc1ccc(NC(=O)[O-])c(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)c1	ZINC000829469283	603743310	/nfs/dbraw/zinc/74/33/10/603743310.db2.gz	KIVQYZNOUOSBIZ-UHFFFAOYSA-N	-2	2	385.336	2.095	20	0		GEADLL
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC000740145022	601118671	/nfs/dbraw/zinc/11/86/71/601118671.db2.gz	TVSUZDLCSSSTOH-UHFFFAOYSA-N	-2	2	375.280	2.301	20	0		GEADLL
Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2	ZINC000833741402	605126388	/nfs/dbraw/zinc/12/63/88/605126388.db2.gz	LOAQSVQMVHKANC-UHFFFAOYSA-N	-2	2	399.402	2.025	20	0		GEADLL
O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c(F)c1	ZINC000743261166	652016171	/nfs/dbraw/zinc/01/61/71/652016171.db2.gz	CBFFDNTWMQICON-UHFFFAOYSA-N	-2	2	375.280	2.301	20	0		GEADLL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(CNC(=O)[O-])cc2)c1F	ZINC000832868233	601224597	/nfs/dbraw/zinc/22/45/97/601224597.db2.gz	JCYUDVNXVRLWII-UHFFFAOYSA-N	-2	2	382.369	2.401	20	0		GEADLL
CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1	ZINC000433527527	601250511	/nfs/dbraw/zinc/25/05/11/601250511.db2.gz	FOOUDJAUZBVFDK-UHFFFAOYSA-N	-2	2	379.390	2.253	20	0		GEADLL
Cc1cc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)[n-]c2nc(=O)[nH]c(=O)c1-2	ZINC000832865105	600958049	/nfs/dbraw/zinc/95/80/49/600958049.db2.gz	MGQUGSDBMVVHRS-UHFFFAOYSA-N	-2	2	383.364	2.107	20	0		GEADLL
O=C([O-])COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Cl	ZINC000833259144	604809045	/nfs/dbraw/zinc/80/90/45/604809045.db2.gz	JYQOXFQEKQKRII-UHFFFAOYSA-N	-2	2	391.810	2.364	20	0		GEADLL
O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])c(F)c1	ZINC000438775453	648803502	/nfs/dbraw/zinc/80/35/02/648803502.db2.gz	QICGSLHOYARKPN-UHFFFAOYSA-N	-2	2	375.280	2.301	20	0		GEADLL
CNS(=O)(=O)c1c(F)cccc1NS(=O)(=O)c1cc(C)sc1C	ZINC000564561842	532528155	/nfs/dbraw/zinc/52/81/55/532528155.db2.gz	LHUOERWCYAMZMC-UHFFFAOYSA-N	-2	2	378.472	2.213	20	0		GEADLL
O=C(NNC(=O)c1cc(F)ccc1Br)c1ccc([N+](=O)[O-])cc1O	ZINC000185129293	645035754	/nfs/dbraw/zinc/03/57/54/645035754.db2.gz	DFNHEPDEFDEAQO-UHFFFAOYSA-N	-2	2	398.144	2.277	20	0		GEADLL
CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000433501952	532571924	/nfs/dbraw/zinc/57/19/24/532571924.db2.gz	NMMBRYWCJOQBNT-UHFFFAOYSA-N	-2	2	383.403	2.311	20	0		GEADLL
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1OC	ZINC000831912863	600831775	/nfs/dbraw/zinc/83/17/75/600831775.db2.gz	GQZKBWFISKJLEE-UHFFFAOYSA-N	-2	2	399.352	2.040	20	0		GEADLL
Cc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)[n-]c2nc(=O)[nH]c(=O)c1-2	ZINC000832864955	600970952	/nfs/dbraw/zinc/97/09/52/600970952.db2.gz	IMNADUYQAJKKNX-UHFFFAOYSA-N	-2	2	382.376	2.359	20	0		GEADLL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c1F	ZINC000832868320	601224493	/nfs/dbraw/zinc/22/44/93/601224493.db2.gz	MQZGKTJKZPUIKJ-UHFFFAOYSA-N	-2	2	393.352	2.208	20	0		GEADLL
O=C([O-])c1nscc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2	ZINC000833306565	602201843	/nfs/dbraw/zinc/20/18/43/602201843.db2.gz	BYDFCEVJGAQYSL-UHFFFAOYSA-N	-2	2	382.419	2.219	20	0		GEADLL
Cc1cc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)sc1C(=O)[O-]	ZINC000507588356	650464189	/nfs/dbraw/zinc/46/41/89/650464189.db2.gz	ZAPFCVPYSNGGNL-UHFFFAOYSA-N	-2	2	385.419	2.409	20	0		GEADLL
O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1C(=O)[O-]	ZINC000547544622	651030584	/nfs/dbraw/zinc/03/05/84/651030584.db2.gz	VKAUHXJVILZXLW-UHFFFAOYSA-N	-2	2	375.280	2.301	20	0		GEADLL
CNS(=O)(=O)c1c(F)cccc1NS(=O)(=O)c1cc(F)cc(Cl)c1	ZINC000577993782	652234212	/nfs/dbraw/zinc/23/42/12/652234212.db2.gz	QTZUDFWQJPZNQK-UHFFFAOYSA-N	-2	2	396.824	2.327	20	0		GEADLL
COC(=O)c1cc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1C(=O)[O-]	ZINC000831328102	600689429	/nfs/dbraw/zinc/68/94/29/600689429.db2.gz	QUHLSNZCNRKXLC-UHFFFAOYSA-N	-2	2	399.402	2.040	20	0		GEADLL
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1OC	ZINC000432199542	601224138	/nfs/dbraw/zinc/22/41/38/601224138.db2.gz	YGIAFFIXVFDTIG-UHFFFAOYSA-N	-2	2	399.352	2.040	20	0		GEADLL
O=C([O-])CCOc1ccc(NS(=O)(=O)c2ccc(CC(=O)[O-])s2)cc1	ZINC000833239002	601332009	/nfs/dbraw/zinc/33/20/09/601332009.db2.gz	LQSBEYMSPAIMAP-UHFFFAOYSA-N	-2	2	385.419	2.030	20	0		GEADLL
Cc1cc(C(=O)Nc2cccc3c2CCN3C(=O)[O-])[n-]c2nc(=O)[nH]c(=O)c1-2	ZINC000829966417	603944220	/nfs/dbraw/zinc/94/42/20/603944220.db2.gz	ZDOVXAOILSRBRX-UHFFFAOYSA-N	-2	2	381.348	2.037	20	0		GEADLL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000737717117	599814203	/nfs/dbraw/zinc/81/42/03/599814203.db2.gz	HZXJQLWDFXCGBV-UHFFFAOYSA-N	-2	2	399.402	2.040	20	0		GEADLL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C)c1C(=O)[O-]	ZINC000737719126	600253899	/nfs/dbraw/zinc/25/38/99/600253899.db2.gz	VNFIYNWHZICHDT-UHFFFAOYSA-N	-2	2	399.402	2.040	20	0		GEADLL
O=C([O-])c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(O)c1	ZINC000738683902	601835549	/nfs/dbraw/zinc/83/55/49/601835549.db2.gz	CSASLGSQFRYLMA-UHFFFAOYSA-N	-2	2	389.744	2.382	20	0		GEADLL
Cc1cc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)[n-]c2nc(=O)[nH]c(=O)c1-2	ZINC000829965792	603865671	/nfs/dbraw/zinc/86/56/71/603865671.db2.gz	JHWYRRJWQHIYAR-SECBINFHSA-N	-2	2	383.364	2.325	20	0		GEADLL
COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000532037857	532643900	/nfs/dbraw/zinc/64/39/00/532643900.db2.gz	RBOQQFKVTXULIG-UHFFFAOYSA-N	-2	2	385.419	2.273	20	0		GEADLL
COc1cc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])c(Cl)cc1C(=O)[O-]	ZINC000832098111	601224429	/nfs/dbraw/zinc/22/44/29/601224429.db2.gz	UOKRFINTSSZYDC-UHFFFAOYSA-N	-2	2	388.785	2.182	20	0		GEADLL
O=C([O-])COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1Cl	ZINC000833259421	602117850	/nfs/dbraw/zinc/11/78/50/602117850.db2.gz	NWZZMAYZZDEGKS-UHFFFAOYSA-N	-2	2	391.810	2.364	20	0		GEADLL
O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000833223513	602309812	/nfs/dbraw/zinc/30/98/12/602309812.db2.gz	PZIAOERPXYRJSW-UHFFFAOYSA-N	-2	2	383.403	2.295	20	0		GEADLL
C[C@H](NC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1	ZINC000825448048	603500576	/nfs/dbraw/zinc/50/05/76/603500576.db2.gz	AOJGNVLJHBBHJN-VIFPVBQESA-N	-2	2	380.378	2.220	20	0		GEADLL
CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833652735	604690308	/nfs/dbraw/zinc/69/03/08/604690308.db2.gz	YOILGEWKWOBWOE-UHFFFAOYSA-N	-2	2	380.378	2.068	20	0		GEADLL
COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000533689904	650764247	/nfs/dbraw/zinc/76/42/47/650764247.db2.gz	SQXJRGBXYDDPIV-UHFFFAOYSA-N	-2	2	375.355	2.093	20	0		GEADLL
O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c1	ZINC000756935970	652509116	/nfs/dbraw/zinc/50/91/16/652509116.db2.gz	JHASWQZVMGSWJW-UHFFFAOYSA-N	-2	2	375.280	2.301	20	0		GEADLL
COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000467749687	532453137	/nfs/dbraw/zinc/45/31/37/532453137.db2.gz	QFJHDSFHOAFOLY-UHFFFAOYSA-N	-2	2	389.769	2.447	20	0		GEADLL
O=C([O-])c1sccc1S(=O)(=O)Nc1c(C(=O)[O-])ccc2cccnc21	ZINC000740202743	600170223	/nfs/dbraw/zinc/17/02/23/600170223.db2.gz	JTZHPAUIABQPOQ-UHFFFAOYSA-N	-2	2	378.387	2.494	20	0		GEADLL
CS(=O)(=O)Nc1cc(NS(=O)(=O)c2c(F)cc(F)cc2F)ccc1F	ZINC000193704431	532431161	/nfs/dbraw/zinc/43/11/61/532431161.db2.gz	HYNFCRKEQCCQJO-UHFFFAOYSA-N	-2	2	398.359	2.415	20	0		GEADLL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000737716601	599868534	/nfs/dbraw/zinc/86/85/34/599868534.db2.gz	CBSJTCYBLMEVIX-UHFFFAOYSA-N	-2	2	399.402	2.040	20	0		GEADLL
Cc1cc(F)c(S(=O)(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cc1C(=O)[O-]	ZINC000833744848	605169884	/nfs/dbraw/zinc/16/98/84/605169884.db2.gz	RZWVPEMIWWKUDV-UHFFFAOYSA-N	-2	2	393.352	2.208	20	0		GEADLL
O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c(F)cc1F	ZINC000833304156	600687382	/nfs/dbraw/zinc/68/73/82/600687382.db2.gz	SUDLLTISEGPDFX-UHFFFAOYSA-N	-2	2	393.270	2.440	20	0		GEADLL
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(Br)o1	ZINC000833320735	602112162	/nfs/dbraw/zinc/11/21/62/602112162.db2.gz	DAGGAQDQCKJNLZ-UHFFFAOYSA-N	-2	2	390.167	2.239	20	0		GEADLL
Cc1cc(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)[n-]c2nc(=O)[nH]c(=O)c1-2	ZINC000740058139	603190585	/nfs/dbraw/zinc/19/05/85/603190585.db2.gz	DOKVZXFTDMQJJD-UHFFFAOYSA-N	-2	2	383.364	2.107	20	0		GEADLL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1C(=O)[O-]	ZINC000737718470	599814997	/nfs/dbraw/zinc/81/49/97/599814997.db2.gz	SHNYWUHQDUOEEC-UHFFFAOYSA-N	-2	2	399.402	2.040	20	0		GEADLL
COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000832292388	601489198	/nfs/dbraw/zinc/48/91/98/601489198.db2.gz	BUBNRSSESSEPOC-UHFFFAOYSA-N	-2	2	385.419	2.273	20	0		GEADLL