smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1sc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)nc1-c1ccccc1	ZINC000737561560	598439026	/nfs/dbraw/zinc/43/90/26/598439026.db2.gz	FUPCMPZUSQWIKK-UHFFFAOYSA-N	-2	1	399.461	2.494	20	10		GECDML
Cc1sc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)nc1-c1ccccc1	ZINC000737561560	598439028	/nfs/dbraw/zinc/43/90/28/598439028.db2.gz	FUPCMPZUSQWIKK-UHFFFAOYSA-N	-2	1	399.461	2.494	20	10		GECDML
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1O	ZINC000757655846	601862326	/nfs/dbraw/zinc/86/23/26/601862326.db2.gz	LKDWTDGVUMJZDI-UHFFFAOYSA-N	-3	1	389.744	2.382	20	10		GECDML
CC(=O)C[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000271222754	646183413	/nfs/dbraw/zinc/18/34/13/646183413.db2.gz	BIUWAMQGLMSGJO-SNVBAGLBSA-N	-2	1	382.463	2.352	20	10		GECDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1C[C@@H](F)[C@@H](F)C1	ZINC000295565954	647234167	/nfs/dbraw/zinc/23/41/67/647234167.db2.gz	AKDOZTKIEBZSGK-TXEJJXNPSA-N	-2	1	388.417	2.387	20	10		GECDML
COCC(C)(C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769759393	653176109	/nfs/dbraw/zinc/17/61/09/653176109.db2.gz	QVETUOHJAPFYEK-UHFFFAOYSA-N	-2	1	384.479	2.409	20	10		GECDML
CC(C)[C@@H](CO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000272227621	532813548	/nfs/dbraw/zinc/81/35/48/532813548.db2.gz	VDIFBLQAKCKTIF-CYBMUJFWSA-N	-2	1	384.479	2.001	20	10		GECDML
C[C@@H](CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(=O)[O-]	ZINC000827437292	601387573	/nfs/dbraw/zinc/38/75/73/601387573.db2.gz	YAYAKCSZXYTZOS-JTQLQIEISA-N	-3	1	398.462	2.047	20	10		GECDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000826492881	609156664	/nfs/dbraw/zinc/15/66/64/609156664.db2.gz	JLCBUUHMZJJEBK-UHFFFAOYSA-N	-2	1	387.755	2.305	20	10		GECDML
C[C@H]1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CCO1	ZINC000267062349	645877362	/nfs/dbraw/zinc/87/73/62/645877362.db2.gz	MPKLEEMZEUSRCZ-NSHDSACASA-N	-2	1	382.463	2.115	20	10		GECDML
O=C([O-])c1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)ccc1O	ZINC000757654592	652520064	/nfs/dbraw/zinc/52/00/64/652520064.db2.gz	HMDKBCWDXBZODR-UHFFFAOYSA-N	-2	1	385.781	2.316	20	10		GECDML
CC[C@@H](CCO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000760177509	652597885	/nfs/dbraw/zinc/59/78/85/652597885.db2.gz	GKLPHMWDVOOOGG-NSHDSACASA-N	-2	1	384.479	2.145	20	10		GECDML
C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1	ZINC000825442805	604004338	/nfs/dbraw/zinc/00/43/38/604004338.db2.gz	QGYDLVYSSNAEEY-JTQLQIEISA-N	-2	1	393.421	2.345	20	10		GECDML
CC(C)[C@H](O)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000269357544	646030009	/nfs/dbraw/zinc/03/00/09/646030009.db2.gz	ONDZVAOQTITJFB-CQSZACIVSA-N	-2	1	384.479	2.001	20	10		GECDML
C[C@@H](CCO)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000270431052	646107164	/nfs/dbraw/zinc/10/71/64/646107164.db2.gz	VZPVNIXVEFWFDE-NSHDSACASA-N	-2	1	384.479	2.003	20	10		GECDML
C[C@H](O)CCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000279024177	646572071	/nfs/dbraw/zinc/57/20/71/646572071.db2.gz	AWNBCWWHKZFNOD-NSHDSACASA-N	-2	1	384.479	2.145	20	10		GECDML
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1Cl	ZINC000748689573	652211610	/nfs/dbraw/zinc/21/16/10/652211610.db2.gz	MGJZZTFXGPGDAV-UHFFFAOYSA-N	-2	1	385.781	2.333	20	10		GECDML
C[C@H](O)C[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000783631423	653682109	/nfs/dbraw/zinc/68/21/09/653682109.db2.gz	QVZNZXZIYDPDNE-QWRGUYRKSA-N	-2	1	384.479	2.144	20	10		GECDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)C[C@@H](OC)C1CCCC1	ZINC000849309091	654011889	/nfs/dbraw/zinc/01/18/89/654011889.db2.gz	AHOZJKTZJCVUJI-OAHLLOKOSA-N	-2	1	375.418	2.265	20	10		GECDML
COC[C@H]1CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000294448803	532939452	/nfs/dbraw/zinc/93/94/52/532939452.db2.gz	UCJZIKHJBOIJAV-GFCCVEGCSA-N	-2	1	382.463	2.115	20	10		GECDML
COC[C@@H]1CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000294448807	532939471	/nfs/dbraw/zinc/93/94/71/532939471.db2.gz	UCJZIKHJBOIJAV-LBPRGKRZSA-N	-2	1	382.463	2.115	20	10		GECDML
CN(CCCC(=O)[O-])C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000830768330	601387931	/nfs/dbraw/zinc/38/79/31/601387931.db2.gz	NLOGVSAYSZGEAK-UHFFFAOYSA-N	-3	1	398.462	2.191	20	10		GECDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC000833738473	604714334	/nfs/dbraw/zinc/71/43/34/604714334.db2.gz	WVWXSARTGPCUKH-UHFFFAOYSA-N	-2	1	384.797	2.368	20	10		GECDML
Cc1cc(C(=O)NCCCSc2nccs2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000746020543	652093563	/nfs/dbraw/zinc/09/35/63/652093563.db2.gz	YNUHGFLMDVGUGH-UHFFFAOYSA-N	-2	1	377.451	2.113	20	10		GECDML
O=C(NCc1ccon1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000751069880	652322706	/nfs/dbraw/zinc/32/27/06/652322706.db2.gz	DMHXSYFJLPSBIJ-UHFFFAOYSA-N	-2	1	379.419	2.173	20	10		GECDML
C[C@H](CCO)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000846603495	653904279	/nfs/dbraw/zinc/90/42/79/653904279.db2.gz	VHVUZUQGCOHANL-LLVKDONJSA-N	-2	1	384.479	2.097	20	10		GECDML
O=C(N[C@H]1CCCOC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267507628	532743101	/nfs/dbraw/zinc/74/31/01/532743101.db2.gz	KYFXKLXPHHQDAF-LBPRGKRZSA-N	-2	1	382.463	2.163	20	10		GECDML
CC(C)(O)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000274843018	532858026	/nfs/dbraw/zinc/85/80/26/532858026.db2.gz	MZOLLICNTUGDOH-UHFFFAOYSA-N	-2	1	384.479	2.145	20	10		GECDML
CO[C@H](C)[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000292426162	532916328	/nfs/dbraw/zinc/91/63/28/532916328.db2.gz	CPYJCJKZTRBIKF-GHMZBOCLSA-N	-2	1	384.479	2.408	20	10		GECDML
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1	ZINC000324845270	600676165	/nfs/dbraw/zinc/67/61/65/600676165.db2.gz	SFIZNCJOZQJNEE-UHFFFAOYSA-N	-2	1	390.464	2.009	20	10		GECDML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc(F)c1F	ZINC000751147177	601836614	/nfs/dbraw/zinc/83/66/14/601836614.db2.gz	ZLHVXXTVIJZLOH-UHFFFAOYSA-N	-2	1	398.387	2.300	20	10		GECDML
COCCCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267093795	645881325	/nfs/dbraw/zinc/88/13/25/645881325.db2.gz	VMXNUVHHUVPNIJ-UHFFFAOYSA-N	-2	1	384.479	2.411	20	10		GECDML
COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000776434468	653348954	/nfs/dbraw/zinc/34/89/54/653348954.db2.gz	GZHHJUVRMYUKRY-UHFFFAOYSA-N	-2	1	385.781	2.331	20	10		GECDML
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000792701885	653850136	/nfs/dbraw/zinc/85/01/36/653850136.db2.gz	GEYFRMOXOJKCJO-UHFFFAOYSA-N	-3	1	383.403	2.311	20	10		GECDML
CCOC1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000294995940	532395811	/nfs/dbraw/zinc/39/58/11/532395811.db2.gz	UVOOZMRAHORMKA-UHFFFAOYSA-N	-2	1	382.463	2.115	20	10		GECDML
O=C(N[C@@H]1CCCOC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267507626	532743398	/nfs/dbraw/zinc/74/33/98/532743398.db2.gz	KYFXKLXPHHQDAF-GFCCVEGCSA-N	-2	1	382.463	2.163	20	10		GECDML
O=S(=O)([N-]c1nc(-c2cccs2)cs1)c1ccc(-c2nnn[n-]2)nc1	ZINC000738340491	598438995	/nfs/dbraw/zinc/43/89/95/598438995.db2.gz	VONCOUJMMQUNSL-UHFFFAOYSA-N	-2	1	391.463	2.248	20	10		GECDML
O=S(=O)([N-]c1nc(-c2cccs2)cs1)c1ccc(-c2nn[n-]n2)nc1	ZINC000738340491	598438997	/nfs/dbraw/zinc/43/89/97/598438997.db2.gz	VONCOUJMMQUNSL-UHFFFAOYSA-N	-2	1	391.463	2.248	20	10		GECDML
C[C@@]1(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CCOC1	ZINC000271394626	646200821	/nfs/dbraw/zinc/20/08/21/646200821.db2.gz	JIAUMCIXVZNIPB-MRXNPFEDSA-N	-2	1	382.463	2.163	20	10		GECDML
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)ccc1Cl	ZINC000757653576	652519742	/nfs/dbraw/zinc/51/97/42/652519742.db2.gz	AXSYOGRYRGZKPH-UHFFFAOYSA-N	-2	1	385.781	2.331	20	10		GECDML
C[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(C)(C)O	ZINC000769931079	653191666	/nfs/dbraw/zinc/19/16/66/653191666.db2.gz	BCIZWRMRNRSXHB-SNVBAGLBSA-N	-2	1	384.479	2.144	20	10		GECDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCC(=O)CC1	ZINC000778566285	653448435	/nfs/dbraw/zinc/44/84/35/653448435.db2.gz	HXJCTYDKIDWEKL-UHFFFAOYSA-N	-2	1	380.447	2.060	20	10		GECDML
C[C@@H]1C[C@@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CO1	ZINC000844109088	653801588	/nfs/dbraw/zinc/80/15/88/653801588.db2.gz	XLNLIMAPYJNXPM-ZYHUDNBSSA-N	-2	1	382.463	2.162	20	10		GECDML
O=C(NC[C@H]1CCOC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267483060	532742140	/nfs/dbraw/zinc/74/21/40/532742140.db2.gz	CUSJIYRSXOKLFG-LLVKDONJSA-N	-2	1	382.463	2.021	20	10		GECDML
CCCN(CCO)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000271751826	646228386	/nfs/dbraw/zinc/22/83/86/646228386.db2.gz	YYNNKJRJXPAOBA-UHFFFAOYSA-N	-2	1	384.479	2.099	20	10		GECDML
C[C@@H](O)C[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000783631421	653682055	/nfs/dbraw/zinc/68/20/55/653682055.db2.gz	QVZNZXZIYDPDNE-GHMZBOCLSA-N	-2	1	384.479	2.144	20	10		GECDML
C[C@@H](O)CCN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000268819775	532772458	/nfs/dbraw/zinc/77/24/58/532772458.db2.gz	IPCFHLUAAQFPIX-LLVKDONJSA-N	-2	1	384.479	2.097	20	10		GECDML
CC(C)(CCO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000272190302	646261606	/nfs/dbraw/zinc/26/16/06/646261606.db2.gz	NHOAMOKCUHUJGY-UHFFFAOYSA-N	-2	1	384.479	2.145	20	10		GECDML
O=C(NCc1cccc(Br)c1[O-])c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000765944003	652858963	/nfs/dbraw/zinc/85/89/63/652858963.db2.gz	NYDZBXMLJCXJNY-UHFFFAOYSA-N	-2	1	390.193	2.428	20	10		GECDML
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])ccc1Cl	ZINC000776432799	653348548	/nfs/dbraw/zinc/34/85/48/653348548.db2.gz	FKIXLLGSFOSQST-UHFFFAOYSA-N	-2	1	385.781	2.331	20	10		GECDML
C[C@H]1C[C@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CO1	ZINC000844109078	653801567	/nfs/dbraw/zinc/80/15/67/653801567.db2.gz	XLNLIMAPYJNXPM-JQWIXIFHSA-N	-2	1	382.463	2.162	20	10		GECDML
CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1	ZINC000826127213	600774975	/nfs/dbraw/zinc/77/49/75/600774975.db2.gz	PZUGKBWHDBUUSP-UHFFFAOYSA-N	-2	1	392.433	2.378	20	10		GECDML
CC[C@H](O)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000269370169	646031971	/nfs/dbraw/zinc/03/19/71/646031971.db2.gz	HSCQDKMEXDSODC-LBPRGKRZSA-N	-2	1	384.479	2.145	20	10		GECDML
CCC[C@H](O)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000269380880	646032820	/nfs/dbraw/zinc/03/28/20/646032820.db2.gz	VGLQFHBXEWEIPD-LBPRGKRZSA-N	-2	1	384.479	2.145	20	10		GECDML
CC[C@@H](CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])OC	ZINC000292184086	647184977	/nfs/dbraw/zinc/18/49/77/647184977.db2.gz	JQIPECFOYVGTGB-LBPRGKRZSA-N	-2	1	384.479	2.409	20	10		GECDML
COC(C)(C)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000751069393	652322641	/nfs/dbraw/zinc/32/26/41/652322641.db2.gz	LSODJFLRUFHMIB-UHFFFAOYSA-N	-2	1	384.479	2.409	20	10		GECDML
CC[C@H](CCO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000760177506	652597548	/nfs/dbraw/zinc/59/75/48/652597548.db2.gz	GKLPHMWDVOOOGG-LLVKDONJSA-N	-2	1	384.479	2.145	20	10		GECDML
C[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(C)(C)O	ZINC000769931078	653191853	/nfs/dbraw/zinc/19/18/53/653191853.db2.gz	BCIZWRMRNRSXHB-JTQLQIEISA-N	-2	1	384.479	2.144	20	10		GECDML
CO[C@@H](C)[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000787415213	653738385	/nfs/dbraw/zinc/73/83/85/653738385.db2.gz	CPYJCJKZTRBIKF-QWRGUYRKSA-N	-2	1	384.479	2.408	20	10		GECDML
COc1cc2c(cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1)OCC(=O)N2	ZINC000797432232	654031545	/nfs/dbraw/zinc/03/15/45/654031545.db2.gz	TVMPQZDKTOXIFP-UHFFFAOYSA-N	-2	1	384.797	2.186	20	10		GECDML
CO[C@@]1(C)C[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000856268666	654474168	/nfs/dbraw/zinc/47/41/68/654474168.db2.gz	YMSYYUYJWMUFHH-CJNGLKHVSA-N	-2	1	382.463	2.162	20	10		GECDML
CO[C@H](C)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267508474	532743359	/nfs/dbraw/zinc/74/33/59/532743359.db2.gz	LATKSUCRHUMSSX-LLVKDONJSA-N	-2	1	384.479	2.409	20	10		GECDML
C[C@H](CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(=O)[O-]	ZINC000827437294	601387384	/nfs/dbraw/zinc/38/73/84/601387384.db2.gz	YAYAKCSZXYTZOS-SNVBAGLBSA-N	-3	1	398.462	2.047	20	10		GECDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3nc(Cl)cnc3c2)ccc1O	ZINC000776434214	653348703	/nfs/dbraw/zinc/34/87/03/653348703.db2.gz	AJIKOAMINRZTEH-UHFFFAOYSA-N	-2	1	379.781	2.488	20	10		GECDML
C[C@@H](CCO)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000846603496	653904218	/nfs/dbraw/zinc/90/42/18/653904218.db2.gz	VHVUZUQGCOHANL-NSHDSACASA-N	-2	1	384.479	2.097	20	10		GECDML
CO[C@H](C)CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000804839844	654322715	/nfs/dbraw/zinc/32/27/15/654322715.db2.gz	YLZPLYXJVGBXOY-LLVKDONJSA-N	-2	1	384.479	2.361	20	10		GECDML
CC[C@H](COC)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267511308	532743246	/nfs/dbraw/zinc/74/32/46/532743246.db2.gz	LYHAULJEIAUQAZ-LLVKDONJSA-N	-2	1	384.479	2.409	20	10		GECDML
O=C([O-])CCCCCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S	ZINC000823387457	599380912	/nfs/dbraw/zinc/38/09/12/599380912.db2.gz	KSMMQDFJCFLUKV-DHZHZOJOSA-N	-2	1	393.450	2.306	20	10		GECDML
O=C([O-])CCCCCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S	ZINC000823387457	599380915	/nfs/dbraw/zinc/38/09/15/599380915.db2.gz	KSMMQDFJCFLUKV-DHZHZOJOSA-N	-2	1	393.450	2.306	20	10		GECDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1	ZINC000738163860	599811140	/nfs/dbraw/zinc/81/11/40/599811140.db2.gz	JCFSNDZBEAHHGM-UHFFFAOYSA-N	-2	1	378.406	2.033	20	10		GECDML
C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1	ZINC000825442806	604004158	/nfs/dbraw/zinc/00/41/58/604004158.db2.gz	QGYDLVYSSNAEEY-SNVBAGLBSA-N	-2	1	393.421	2.345	20	10		GECDML
CC(C)(CC(=O)[O-])NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000833455907	604714844	/nfs/dbraw/zinc/71/48/44/604714844.db2.gz	FKSGZPZMFOCQNJ-UHFFFAOYSA-N	-3	1	398.462	2.238	20	10		GECDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)c1	ZINC000833737164	605319299	/nfs/dbraw/zinc/31/92/99/605319299.db2.gz	BWDUYANXEHUURK-UHFFFAOYSA-N	-2	1	383.357	2.245	20	10		GECDML
Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000833905674	605660472	/nfs/dbraw/zinc/66/04/72/605660472.db2.gz	AHAXYWSXJLVUMT-UHFFFAOYSA-N	-2	1	379.394	2.414	20	10		GECDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCSCC1	ZINC000267073551	645878807	/nfs/dbraw/zinc/87/88/07/645878807.db2.gz	PDFUIOCUDJANFG-UHFFFAOYSA-N	-2	1	384.504	2.444	20	10		GECDML
CN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])[C@@H]1CCOC1	ZINC000268552523	645976741	/nfs/dbraw/zinc/97/67/41/645976741.db2.gz	ACMBWNDJWSOBQM-GFCCVEGCSA-N	-2	1	382.463	2.115	20	10		GECDML
CCC[C@@H](O)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000269380877	646032861	/nfs/dbraw/zinc/03/28/61/646032861.db2.gz	VGLQFHBXEWEIPD-GFCCVEGCSA-N	-2	1	384.479	2.145	20	10		GECDML
C[C@]1(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CCOC1	ZINC000271394624	646200638	/nfs/dbraw/zinc/20/06/38/646200638.db2.gz	JIAUMCIXVZNIPB-INIZCTEOSA-N	-2	1	382.463	2.163	20	10		GECDML
C[C@@H](O)CCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000279024175	646572412	/nfs/dbraw/zinc/57/24/12/646572412.db2.gz	AWNBCWWHKZFNOD-LLVKDONJSA-N	-2	1	384.479	2.145	20	10		GECDML
C[C@H](O)C(C)(C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000272752024	532817822	/nfs/dbraw/zinc/81/78/22/532817822.db2.gz	DWRXJSACKRELAS-JTQLQIEISA-N	-2	1	384.479	2.144	20	10		GECDML
C[C@H](CCO)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000270431051	646107124	/nfs/dbraw/zinc/10/71/24/646107124.db2.gz	VZPVNIXVEFWFDE-LLVKDONJSA-N	-2	1	384.479	2.003	20	10		GECDML
CCN(CCOC)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000271057900	646169003	/nfs/dbraw/zinc/16/90/03/646169003.db2.gz	UPRJDRKCKXMGRN-UHFFFAOYSA-N	-2	1	384.479	2.363	20	10		GECDML
O=C(N[C@@H]1CCSC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000751069313	652322672	/nfs/dbraw/zinc/32/26/72/652322672.db2.gz	JIRDBKWVAXNFOL-LLVKDONJSA-N	-2	1	384.504	2.490	20	10		GECDML
CN(CCCCO)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000788553418	653759472	/nfs/dbraw/zinc/75/94/72/653759472.db2.gz	YIKRQPZSVBSLIX-UHFFFAOYSA-N	-2	1	384.479	2.099	20	10		GECDML
O=C(NCC1CSC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000854871635	654387092	/nfs/dbraw/zinc/38/70/92/654387092.db2.gz	BEKXLZIXFYSSPP-UHFFFAOYSA-N	-2	1	384.504	2.347	20	10		GECDML
O=C(NCCCCCO)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000279262511	532392259	/nfs/dbraw/zinc/39/22/59/532392259.db2.gz	UERMDVZJPKJPLN-UHFFFAOYSA-N	-2	1	384.479	2.147	20	10		GECDML
CO[C@@H](C)[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000292426166	532916290	/nfs/dbraw/zinc/91/62/90/532916290.db2.gz	CPYJCJKZTRBIKF-MNOVXSKESA-N	-2	1	384.479	2.408	20	10		GECDML
Cn1nccc1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000769742235	653174645	/nfs/dbraw/zinc/17/46/45/653174645.db2.gz	QIXOJSCSWKHLJX-UHFFFAOYSA-N	-2	1	378.435	2.240	20	10		GECDML
CC[C@](C)(CO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000782025490	653653876	/nfs/dbraw/zinc/65/38/76/653653876.db2.gz	LLRFVCAWKRKVPT-MRXNPFEDSA-N	-2	1	384.479	2.145	20	10		GECDML
CO[C@H](C)[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000787415215	653738360	/nfs/dbraw/zinc/73/83/60/653738360.db2.gz	CPYJCJKZTRBIKF-WDEREUQCSA-N	-2	1	384.479	2.408	20	10		GECDML
CNC(=O)c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])ccc1Cl	ZINC000821157367	653791692	/nfs/dbraw/zinc/79/16/92/653791692.db2.gz	IROPXBANQQEXQI-UHFFFAOYSA-N	-2	1	376.768	2.484	20	10		GECDML
O=S(=O)([N-]c1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)nc1	ZINC000738337988	598438890	/nfs/dbraw/zinc/43/88/90/598438890.db2.gz	BDGGFDIIMZABCD-UHFFFAOYSA-N	-2	1	385.434	2.186	20	10		GECDML
O=S(=O)([N-]c1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)nc1	ZINC000738337988	598438892	/nfs/dbraw/zinc/43/88/92/598438892.db2.gz	BDGGFDIIMZABCD-UHFFFAOYSA-N	-2	1	385.434	2.186	20	10		GECDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000833738010	604697831	/nfs/dbraw/zinc/69/78/31/604697831.db2.gz	PENJJNSRORAISF-UHFFFAOYSA-N	-2	1	384.797	2.368	20	10		GECDML
O=C(N[C@H]1CCSC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000751069314	652322693	/nfs/dbraw/zinc/32/26/93/652322693.db2.gz	JIRDBKWVAXNFOL-NSHDSACASA-N	-2	1	384.504	2.490	20	10		GECDML
CN(CC(C)(C)O)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267519060	532743958	/nfs/dbraw/zinc/74/39/58/532743958.db2.gz	OWWMNFZMQCPZJJ-UHFFFAOYSA-N	-2	1	384.479	2.097	20	10		GECDML
COC[C@H](C)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267533824	532745237	/nfs/dbraw/zinc/74/52/37/532745237.db2.gz	XEDWVYQZTLEBNY-LLVKDONJSA-N	-2	1	384.479	2.267	20	10		GECDML
CC[C@](C)(O)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267500839	532741656	/nfs/dbraw/zinc/74/16/56/532741656.db2.gz	IOVYMAPNYREFQC-INIZCTEOSA-N	-2	1	384.479	2.145	20	10		GECDML
CC(C)(CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(=O)[O-]	ZINC000826596028	601818430	/nfs/dbraw/zinc/81/84/30/601818430.db2.gz	FWDHMMYMUYTLPP-UHFFFAOYSA-N	-3	1	398.462	2.095	20	10		GECDML
O=C([O-])Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c([O-])c1	ZINC000740698629	602851610	/nfs/dbraw/zinc/85/16/10/602851610.db2.gz	RRWRQMFTKDNILX-UHFFFAOYSA-N	-2	1	389.383	2.388	20	10		GECDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3c2CCN3C(=O)[O-])c1	ZINC000829691346	604021951	/nfs/dbraw/zinc/02/19/51/604021951.db2.gz	CVLCSDHLHXRIBG-UHFFFAOYSA-N	-2	1	391.405	2.057	20	10		GECDML
CCOC[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000779251166	653471487	/nfs/dbraw/zinc/47/14/87/653471487.db2.gz	JFDGXDASERVVLM-NSHDSACASA-N	-2	1	384.479	2.409	20	10		GECDML
C[C@H](O)CCN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000268819776	532772390	/nfs/dbraw/zinc/77/23/90/532772390.db2.gz	IPCFHLUAAQFPIX-NSHDSACASA-N	-2	1	384.479	2.097	20	10		GECDML
O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1	ZINC000740145525	600098437	/nfs/dbraw/zinc/09/84/37/600098437.db2.gz	SSLUCAVHQMEJAD-UHFFFAOYSA-N	-2	1	380.397	2.161	20	10		GECDML
CN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])[C@H]1CCOC1	ZINC000268552527	645976967	/nfs/dbraw/zinc/97/69/67/645976967.db2.gz	ACMBWNDJWSOBQM-LBPRGKRZSA-N	-2	1	382.463	2.115	20	10		GECDML
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1Cl	ZINC000749772571	652266510	/nfs/dbraw/zinc/26/65/10/652266510.db2.gz	YQDGLNXFSNWQOF-UHFFFAOYSA-N	-2	1	385.781	2.331	20	10		GECDML
C[C@H]1C[C@@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CO1	ZINC000844109074	653801490	/nfs/dbraw/zinc/80/14/90/653801490.db2.gz	XLNLIMAPYJNXPM-CMPLNLGQSA-N	-2	1	382.463	2.162	20	10		GECDML
C[C@@H]1C[C@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CO1	ZINC000844109083	653801507	/nfs/dbraw/zinc/80/15/07/653801507.db2.gz	XLNLIMAPYJNXPM-PWSUYJOCSA-N	-2	1	382.463	2.162	20	10		GECDML
CC(C)[C@@H](O)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000269357540	646030063	/nfs/dbraw/zinc/03/00/63/646030063.db2.gz	ONDZVAOQTITJFB-AWEZNQCLSA-N	-2	1	384.479	2.001	20	10		GECDML
O=C([O-])c1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)ccc1O	ZINC000326746936	647305037	/nfs/dbraw/zinc/30/50/37/647305037.db2.gz	KWDBDFDNVAMLME-UHFFFAOYSA-N	-2	1	382.781	2.039	20	10		GECDML
O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1	ZINC000808113741	653219061	/nfs/dbraw/zinc/21/90/61/653219061.db2.gz	IEURWOGOFVNRSK-UHFFFAOYSA-N	-2	1	389.744	2.382	20	10		GECDML
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1Cl	ZINC000776432812	653348462	/nfs/dbraw/zinc/34/84/62/653348462.db2.gz	GDVXHDPVJPAWDM-UHFFFAOYSA-N	-2	1	385.781	2.331	20	10		GECDML
C[C@@H](O)C[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000783631424	653682120	/nfs/dbraw/zinc/68/21/20/653682120.db2.gz	QVZNZXZIYDPDNE-WDEREUQCSA-N	-2	1	384.479	2.144	20	10		GECDML
CCN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])[C@@H](C)CO	ZINC000293991766	532934264	/nfs/dbraw/zinc/93/42/64/532934264.db2.gz	NYHXYVUKZDGFLY-NSHDSACASA-N	-2	1	384.479	2.097	20	10		GECDML
CC(C)OCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000273384829	646313999	/nfs/dbraw/zinc/31/39/99/646313999.db2.gz	JCBZXOXIPTVJEZ-UHFFFAOYSA-N	-2	1	384.479	2.409	20	10		GECDML
O=C(NCc1cocn1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000751068271	652322486	/nfs/dbraw/zinc/32/24/86/652322486.db2.gz	LRHXSDVDHDGMCV-UHFFFAOYSA-N	-2	1	379.419	2.173	20	10		GECDML
COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776750799	653375703	/nfs/dbraw/zinc/37/57/03/653375703.db2.gz	LJEBACCJDHGFSP-UHFFFAOYSA-N	-2	1	384.841	2.491	20	10		GECDML
CC[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])[C@H](C)O	ZINC000836862978	653384247	/nfs/dbraw/zinc/38/42/47/653384247.db2.gz	PFLASQSUYHWUOU-GXFFZTMASA-N	-2	1	384.479	2.144	20	10		GECDML
CO[C@H]1C[C@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000863670209	653718402	/nfs/dbraw/zinc/71/84/02/653718402.db2.gz	HIIPBQFSKXTNHW-HAQNSBGRSA-N	-2	1	382.463	2.162	20	10		GECDML
CC[C@@](C)(O)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267500842	532742269	/nfs/dbraw/zinc/74/22/69/532742269.db2.gz	IOVYMAPNYREFQC-MRXNPFEDSA-N	-2	1	384.479	2.145	20	10		GECDML
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1	ZINC000738276924	599907939	/nfs/dbraw/zinc/90/79/39/599907939.db2.gz	OHMLEROYJNHFBM-UHFFFAOYSA-N	-2	1	376.434	2.331	20	10		GECDML
COCCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267046005	645875896	/nfs/dbraw/zinc/87/58/96/645875896.db2.gz	IRQOBMOIWYIODR-UHFFFAOYSA-N	-2	1	384.479	2.363	20	10		GECDML
O=C(NN1CCCCC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000765235844	652833378	/nfs/dbraw/zinc/83/33/78/652833378.db2.gz	BJHZKZQXADLRSN-UHFFFAOYSA-N	-2	1	381.479	2.385	20	10		GECDML
CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1cccc(Br)c1[O-]	ZINC000765726388	652850253	/nfs/dbraw/zinc/85/02/53/652850253.db2.gz	GRRMGYDPSDZAMH-UHFFFAOYSA-N	-2	1	399.266	2.456	20	10		GECDML
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000780397019	653625455	/nfs/dbraw/zinc/62/54/55/653625455.db2.gz	HEZFEYRYWBRUJU-UHFFFAOYSA-N	-2	1	390.870	2.097	20	10		GECDML
CC[C@@](C)(CO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000782025489	653653893	/nfs/dbraw/zinc/65/38/93/653653893.db2.gz	LLRFVCAWKRKVPT-INIZCTEOSA-N	-2	1	384.479	2.145	20	10		GECDML
COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)C[C@H](OC)C1CCCC1	ZINC000849309090	654011766	/nfs/dbraw/zinc/01/17/66/654011766.db2.gz	AHOZJKTZJCVUJI-HNNXBMFYSA-N	-2	1	375.418	2.265	20	10		GECDML
CC[C@@H](COC)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267511310	532743068	/nfs/dbraw/zinc/74/30/68/532743068.db2.gz	LYHAULJEIAUQAZ-NSHDSACASA-N	-2	1	384.479	2.409	20	10		GECDML
O=C(NC[C@@H]1CCCO1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267106677	645882901	/nfs/dbraw/zinc/88/29/01/645882901.db2.gz	ZRMUWXDQKLBBKI-LBPRGKRZSA-N	-2	1	382.463	2.163	20	10		GECDML
CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000777647843	653404896	/nfs/dbraw/zinc/40/48/96/653404896.db2.gz	DRLKOEPRYBAECD-UHFFFAOYSA-N	-2	1	390.870	2.145	20	10		GECDML
COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000802721837	654236147	/nfs/dbraw/zinc/23/61/47/654236147.db2.gz	IBBPWRBJCWHNSM-UHFFFAOYSA-N	-2	1	391.854	2.259	20	10		GECDML
CS(=O)(=O)Cc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753016938	652398213	/nfs/dbraw/zinc/39/82/13/652398213.db2.gz	RNMOBSZYSZWXIZ-UHFFFAOYSA-N	-2	1	377.390	2.016	20	10		GECDML
O=C(Nc1cnns1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000789911412	653782537	/nfs/dbraw/zinc/78/25/37/653782537.db2.gz	VPRAPELAWLVAPC-UHFFFAOYSA-N	-2	1	382.448	2.358	20	10		GECDML
O=C(NC[C@@H]1CCOC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267483062	532742626	/nfs/dbraw/zinc/74/26/26/532742626.db2.gz	CUSJIYRSXOKLFG-NSHDSACASA-N	-2	1	382.463	2.021	20	10		GECDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC000833737895	604713769	/nfs/dbraw/zinc/71/37/69/604713769.db2.gz	MWLPHHRTWVZQHT-UHFFFAOYSA-N	-2	1	384.797	2.368	20	10		GECDML
CC[C@@H](O)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000269370167	646031922	/nfs/dbraw/zinc/03/19/22/646031922.db2.gz	HSCQDKMEXDSODC-GFCCVEGCSA-N	-2	1	384.479	2.145	20	10		GECDML
CC[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])[C@H](C)O	ZINC000836862977	653384084	/nfs/dbraw/zinc/38/40/84/653384084.db2.gz	PFLASQSUYHWUOU-GWCFXTLKSA-N	-2	1	384.479	2.144	20	10		GECDML
CC[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])[C@@H](C)O	ZINC000836862981	653384287	/nfs/dbraw/zinc/38/42/87/653384287.db2.gz	PFLASQSUYHWUOU-ZWNOBZJWSA-N	-2	1	384.479	2.144	20	10		GECDML
CC1(CNC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])COC1	ZINC000267486931	532741714	/nfs/dbraw/zinc/74/17/14/532741714.db2.gz	DTSOSLZADOPUCC-UHFFFAOYSA-N	-2	1	382.463	2.021	20	10		GECDML
C[C@@H]1COCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000271283807	532807321	/nfs/dbraw/zinc/80/73/21/532807321.db2.gz	QTPMYJZBPGMDNT-LLVKDONJSA-N	-2	1	382.463	2.115	20	10		GECDML
Cc1ccc(-c2csc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)n2)cc1	ZINC000737286893	598438457	/nfs/dbraw/zinc/43/84/57/598438457.db2.gz	AUFKZKWBWNGQAX-UHFFFAOYSA-N	-2	1	399.461	2.494	20	10		GECDML
Cc1ccc(-c2csc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)n2)cc1	ZINC000737286893	598438459	/nfs/dbraw/zinc/43/84/59/598438459.db2.gz	AUFKZKWBWNGQAX-UHFFFAOYSA-N	-2	1	399.461	2.494	20	10		GECDML
O=C(NCc1ccno1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000758546132	652546137	/nfs/dbraw/zinc/54/61/37/652546137.db2.gz	RGKJYKSATWLNFJ-UHFFFAOYSA-N	-2	1	379.419	2.173	20	10		GECDML
O=C(NOCC(F)F)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000760150175	652596623	/nfs/dbraw/zinc/59/66/23/652596623.db2.gz	ZLODDHKHZHETDM-UHFFFAOYSA-N	-2	1	378.378	2.181	20	10		GECDML
CO[C@@H](C)CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000804839845	654322528	/nfs/dbraw/zinc/32/25/28/654322528.db2.gz	YLZPLYXJVGBXOY-NSHDSACASA-N	-2	1	384.479	2.361	20	10		GECDML
CN(Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1)C(=O)[O-]	ZINC000737485641	600331542	/nfs/dbraw/zinc/33/15/42/600331542.db2.gz	YPQHGFZDKKJDQH-UHFFFAOYSA-N	-2	1	393.421	2.126	20	10		GECDML
Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)ccc1C(=O)[O-]	ZINC000738477807	600890598	/nfs/dbraw/zinc/89/05/98/600890598.db2.gz	GLJKZTOLBYOIEK-UHFFFAOYSA-N	-2	1	376.434	2.331	20	10		GECDML
O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1	ZINC000833294172	601860363	/nfs/dbraw/zinc/86/03/63/601860363.db2.gz	GXZSWOZWEZKNGE-UHFFFAOYSA-N	-2	1	380.397	2.161	20	10		GECDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c1	ZINC000740003190	602272269	/nfs/dbraw/zinc/27/22/69/602272269.db2.gz	WEAKSHOQXLFHOZ-UHFFFAOYSA-N	-2	1	391.405	2.057	20	10		GECDML
CCOCCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267076951	645879331	/nfs/dbraw/zinc/87/93/31/645879331.db2.gz	PWPXWZZNBXZKDK-UHFFFAOYSA-N	-2	1	384.479	2.411	20	10		GECDML
CC[C@H](CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])OC	ZINC000292184080	647184883	/nfs/dbraw/zinc/18/48/83/647184883.db2.gz	JQIPECFOYVGTGB-GFCCVEGCSA-N	-2	1	384.479	2.409	20	10		GECDML
COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000757655223	652520084	/nfs/dbraw/zinc/52/00/84/652520084.db2.gz	KHVCUHMKHNRZSM-UHFFFAOYSA-N	-2	1	385.781	2.331	20	10		GECDML
CC[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])[C@@H](C)O	ZINC000836862980	653384101	/nfs/dbraw/zinc/38/41/01/653384101.db2.gz	PFLASQSUYHWUOU-MFKMUULPSA-N	-2	1	384.479	2.144	20	10		GECDML
COCC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267525098	532744876	/nfs/dbraw/zinc/74/48/76/532744876.db2.gz	ROIRQHZPRWOYTJ-LLVKDONJSA-N	-2	1	384.479	2.409	20	10		GECDML
C[C@@H](O)C(C)(C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000272752026	532817704	/nfs/dbraw/zinc/81/77/04/532817704.db2.gz	DWRXJSACKRELAS-SNVBAGLBSA-N	-2	1	384.479	2.144	20	10		GECDML
O=C(NC[C@H]1CCCO1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267106674	645882955	/nfs/dbraw/zinc/88/29/55/645882955.db2.gz	ZRMUWXDQKLBBKI-GFCCVEGCSA-N	-2	1	382.463	2.163	20	10		GECDML
C[C@H]1COCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000271283809	532807073	/nfs/dbraw/zinc/80/70/73/532807073.db2.gz	QTPMYJZBPGMDNT-NSHDSACASA-N	-2	1	382.463	2.115	20	10		GECDML
O=C([O-])CCCCCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S	ZINC000823387458	599380835	/nfs/dbraw/zinc/38/08/35/599380835.db2.gz	KSMMQDFJCFLUKV-FLIBITNWSA-N	-2	1	393.450	2.306	20	10		GECDML
O=C([O-])CCCCCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S	ZINC000823387458	599380838	/nfs/dbraw/zinc/38/08/38/599380838.db2.gz	KSMMQDFJCFLUKV-FLIBITNWSA-N	-2	1	393.450	2.306	20	10		GECDML
CC(=O)C[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000271222153	646182655	/nfs/dbraw/zinc/18/26/55/646182655.db2.gz	BIUWAMQGLMSGJO-JTQLQIEISA-N	-2	1	382.463	2.352	20	10		GECDML
CO[C@@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000752819742	652393951	/nfs/dbraw/zinc/39/39/51/652393951.db2.gz	BPHVCOLBLCSHGH-GFCCVEGCSA-N	-2	1	382.463	2.115	20	10		GECDML
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2nc(Cl)cnc2c1	ZINC000776435224	653349145	/nfs/dbraw/zinc/34/91/45/653349145.db2.gz	ZEPVPLLCNPKMRM-UHFFFAOYSA-N	-2	1	379.781	2.488	20	10		GECDML
COC[C@@H](C)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267533825	532744992	/nfs/dbraw/zinc/74/49/92/532744992.db2.gz	XEDWVYQZTLEBNY-NSHDSACASA-N	-2	1	384.479	2.267	20	10		GECDML
Cc1ccccc1-c1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1	ZINC000737416583	598438359	/nfs/dbraw/zinc/43/83/59/598438359.db2.gz	CUQVLFGKGBLAGD-UHFFFAOYSA-N	-2	1	399.461	2.494	20	10		GECDML
Cc1ccccc1-c1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1	ZINC000737416583	598438361	/nfs/dbraw/zinc/43/83/61/598438361.db2.gz	CUQVLFGKGBLAGD-UHFFFAOYSA-N	-2	1	399.461	2.494	20	10		GECDML
O=C([O-])CCCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000833225762	601210238	/nfs/dbraw/zinc/21/02/38/601210238.db2.gz	PGZCVTBFVXZRFX-UHFFFAOYSA-N	-3	1	398.462	2.239	20	10		GECDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1	ZINC000833737957	604708262	/nfs/dbraw/zinc/70/82/62/604708262.db2.gz	OMAUCJYABGKMDQ-UHFFFAOYSA-N	-2	1	383.357	2.245	20	10		GECDML
CO[C@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000267744344	645922905	/nfs/dbraw/zinc/92/29/05/645922905.db2.gz	BPHVCOLBLCSHGH-LBPRGKRZSA-N	-2	1	382.463	2.115	20	10		GECDML
CC(C)(CO)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000771679131	653123412	/nfs/dbraw/zinc/12/34/12/653123412.db2.gz	ULAWZYIFEQFYMS-UHFFFAOYSA-N	-2	1	384.479	2.003	20	10		GECDML
COCC1(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1	ZINC000770015853	653195054	/nfs/dbraw/zinc/19/50/54/653195054.db2.gz	HZMDJRUAGFHLDL-UHFFFAOYSA-N	-2	1	382.463	2.163	20	10		GECDML
COC1(C)CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC000777440661	653398091	/nfs/dbraw/zinc/39/80/91/653398091.db2.gz	PRKKIQJTXBLJDU-UHFFFAOYSA-N	-2	1	382.463	2.115	20	10		GECDML
CO[C@@H](C)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267508478	532743013	/nfs/dbraw/zinc/74/30/13/532743013.db2.gz	LATKSUCRHUMSSX-NSHDSACASA-N	-2	1	384.479	2.409	20	10		GECDML
C[C@@H](CCCO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000270376342	532796628	/nfs/dbraw/zinc/79/66/28/532796628.db2.gz	AQHNOPIOHGSDET-NSHDSACASA-N	-2	1	384.479	2.145	20	10		GECDML
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1	ZINC000833715164	605202041	/nfs/dbraw/zinc/20/20/41/605202041.db2.gz	PAVBYZFZJWQWTI-UHFFFAOYSA-N	-2	1	385.781	2.331	20	10		GECDML
COC[C@H](C)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000271315542	646191190	/nfs/dbraw/zinc/19/11/90/646191190.db2.gz	XMAWRTIULAXCEL-NSHDSACASA-N	-2	1	384.479	2.361	20	10		GECDML
CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000321259389	647292138	/nfs/dbraw/zinc/29/21/38/647292138.db2.gz	YHLSIGUKXCPDRV-UHFFFAOYSA-N	-2	1	379.818	2.389	20	10		GECDML
COc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc(OC)c1OC	ZINC000753015973	652397781	/nfs/dbraw/zinc/39/77/81/652397781.db2.gz	HPPOROYESFBOCO-UHFFFAOYSA-N	-2	1	375.349	2.497	20	10		GECDML
CSCCONC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000794190588	653899987	/nfs/dbraw/zinc/89/99/87/653899987.db2.gz	IKQXFELNRHOCMV-UHFFFAOYSA-N	-2	1	388.492	2.279	20	10		GECDML
C[C@H](CCCO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000270376340	532796800	/nfs/dbraw/zinc/79/68/00/532796800.db2.gz	AQHNOPIOHGSDET-LLVKDONJSA-N	-2	1	384.479	2.145	20	10		GECDML
COC[C@@H](C)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000271315538	646191156	/nfs/dbraw/zinc/19/11/56/646191156.db2.gz	XMAWRTIULAXCEL-LLVKDONJSA-N	-2	1	384.479	2.361	20	10		GECDML
O=C(NOCC(F)(F)F)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000768291876	653108860	/nfs/dbraw/zinc/10/88/60/653108860.db2.gz	HNKDBQZPYBWTBE-UHFFFAOYSA-N	-2	1	396.368	2.478	20	10		GECDML
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1	ZINC000769245699	653146576	/nfs/dbraw/zinc/14/65/76/653146576.db2.gz	MALZGZYWRZZQHO-UHFFFAOYSA-N	-2	1	379.419	2.446	20	10		GECDML
C[C@@H]1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CCO1	ZINC000267062347	645877409	/nfs/dbraw/zinc/87/74/09/645877409.db2.gz	MPKLEEMZEUSRCZ-LLVKDONJSA-N	-2	1	382.463	2.115	20	10		GECDML
CCOCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000271380648	646198434	/nfs/dbraw/zinc/19/84/34/646198434.db2.gz	AUNFDFUUMZTDEY-UHFFFAOYSA-N	-2	1	384.479	2.363	20	10		GECDML
O=C(NC1CCOCC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267527721	532744500	/nfs/dbraw/zinc/74/45/00/532744500.db2.gz	TXHVPPBCGVJSBM-UHFFFAOYSA-N	-2	1	382.463	2.163	20	10		GECDML
COCC[C@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000267525099	532744634	/nfs/dbraw/zinc/74/46/34/532744634.db2.gz	ROIRQHZPRWOYTJ-NSHDSACASA-N	-2	1	384.479	2.409	20	10		GECDML
NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776751889	653375554	/nfs/dbraw/zinc/37/55/54/653375554.db2.gz	WFVQHBAEBBBWCW-UHFFFAOYSA-N	-2	1	391.232	2.364	20	10		GECDML
C[C@H](C[C@H](C)O)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000783631422	653682030	/nfs/dbraw/zinc/68/20/30/653682030.db2.gz	QVZNZXZIYDPDNE-MNOVXSKESA-N	-2	1	384.479	2.144	20	10		GECDML
O=C(Nc1cncnc1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000768621798	653122685	/nfs/dbraw/zinc/12/26/85/653122685.db2.gz	JSALKSUNAORXGR-UHFFFAOYSA-N	-2	1	376.419	2.297	20	10		GECDML
CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cn1C	ZINC000808115057	653219517	/nfs/dbraw/zinc/21/95/17/653219517.db2.gz	MTXQTQUYQVXXDH-UHFFFAOYSA-N	-2	1	375.809	2.026	20	10		GECDML