smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CN2CCC[C@H](C)C2)c1	ZINC000004863297	204082789	/nfs/dbraw/zinc/08/27/89/204082789.db2.gz	ATAQZSMIADPWRT-AWEZNQCLSA-N	-1	1	383.514	2.093	10	0		GEAEMM
Cc1cc(NC(=O)COc2ccccc2C)n(-c2nc3c(c(=O)[n-]2)CCC3)n1	ZINC000007422935	204240917	/nfs/dbraw/zinc/24/09/17/204240917.db2.gz	LCDCRQNIXTUWII-UHFFFAOYSA-N	-1	1	379.420	2.079	10	0		GEAEMM
O=C(c1ccc(I)c([O-])c1)N1CCC[C@H]1CCCO	ZINC000230904145	645402978	/nfs/dbraw/zinc/40/29/78/645402978.db2.gz	KCQAJHUEEVPQSR-NSHDSACASA-N	-1	1	375.206	2.374	10	0		GEAEMM
O=C(c1ccc(I)c([O-])c1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1	ZINC000398670884	647900344	/nfs/dbraw/zinc/90/03/44/647900344.db2.gz	DVUOWHBGOJWJNV-QJPTWQEYSA-N	-1	1	387.217	2.230	10	0		GEAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccc(Br)c2)co1	ZINC000162823562	531851898	/nfs/dbraw/zinc/85/18/98/531851898.db2.gz	QDEQLHQQNYINCU-SECBINFHSA-N	-1	1	387.255	2.441	10	0		GEAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)o1	ZINC000128743670	532168078	/nfs/dbraw/zinc/16/80/78/532168078.db2.gz	HQPPKMXVNQVBLE-LBPRGKRZSA-N	-1	1	376.356	2.091	10	0		GEAEMM
CCn1ccnc1CS(=O)(=O)c1nc(-c2ccccc2Br)n[n-]1	ZINC000195110706	532469858	/nfs/dbraw/zinc/46/98/58/532469858.db2.gz	CZOXZWZXCYQZKX-UHFFFAOYSA-N	-1	1	396.270	2.425	10	0		GEAEMM
CCn1ccnc1CS(=O)(=O)c1n[n-]c(-c2ccccc2Br)n1	ZINC000195110706	532469867	/nfs/dbraw/zinc/46/98/67/532469867.db2.gz	CZOXZWZXCYQZKX-UHFFFAOYSA-N	-1	1	396.270	2.425	10	0		GEAEMM
CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000248857982	532556910	/nfs/dbraw/zinc/55/69/10/532556910.db2.gz	FACGGMBNTLJYKJ-QWRGUYRKSA-N	-1	1	390.864	2.425	10	0		GEAEMM
CC(C)(C)OC(=O)N1CCC[C@H](NCC(=O)Nc2ccccc2C(=O)[O-])C1	ZINC000253576014	206149510	/nfs/dbraw/zinc/14/95/10/206149510.db2.gz	VHVMVRDQODKLFX-ZDUSSCGKSA-N	-1	1	377.441	2.312	10	0		GEAEMM
CC(C)(C)OC(=O)N1CCCC[C@@H]1c1nc(C[N-]C(=O)C(F)(F)F)n[nH]1	ZINC000536951786	570470155	/nfs/dbraw/zinc/47/01/55/570470155.db2.gz	WSOJKQFEQQVCTH-SECBINFHSA-N	-1	1	377.367	2.445	10	0		GEAEMM
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000001557163	571679864	/nfs/dbraw/zinc/67/98/64/571679864.db2.gz	NQIHMZLGCZNZBN-FXAWDEMLSA-N	-1	1	390.443	2.331	10	0	endogenous,in-man	GEAEMM
COC(=O)[C@H]([N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c12)c1ccccc1	ZINC000093910810	643081960	/nfs/dbraw/zinc/08/19/60/643081960.db2.gz	NMAYMGOBGPOFRR-CQSZACIVSA-N	-1	1	379.825	2.409	10	0		GEAEMM
Cc1cnn(C[C@H]2CN(C(=O)c3ccc(Br)c([O-])c3)CCO2)c1	ZINC000155914373	531704368	/nfs/dbraw/zinc/70/43/68/531704368.db2.gz	KKPRVZDTFQYZIS-CYBMUJFWSA-N	-1	1	380.242	2.201	10	0		GEAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc(Br)c2)co1	ZINC000162823428	531851842	/nfs/dbraw/zinc/85/18/42/531851842.db2.gz	QDEQLHQQNYINCU-VIFPVBQESA-N	-1	1	387.255	2.441	10	0		GEAEMM
CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)CC2	ZINC000172605369	531960722	/nfs/dbraw/zinc/96/07/22/531960722.db2.gz	CLKGCPZNHKBFPZ-SECBINFHSA-N	-1	1	390.296	2.397	10	0		GEAEMM
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(Br)c([O-])c2)C1	ZINC000189119246	532350868	/nfs/dbraw/zinc/35/08/68/532350868.db2.gz	FAPCXTZENPGSKD-CMPLNLGQSA-N	-1	1	382.214	2.448	10	0		GEAEMM
CCC[C@@H](NCC(=O)Nc1ccc(I)cc1C)C(=O)[O-]	ZINC000036840175	642511761	/nfs/dbraw/zinc/51/17/61/642511761.db2.gz	GMGPYQBDCCKZOW-GFCCVEGCSA-N	-1	1	390.221	2.381	10	0		GEAEMM
C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](c2nc(C)cs2)C(F)(F)F)co1	ZINC000166904403	644279270	/nfs/dbraw/zinc/27/92/70/644279270.db2.gz	XDZOJEUCDAHIOC-SECBINFHSA-N	-1	1	384.357	2.413	10	0		GEAEMM
CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C12CCOCC2	ZINC000185155964	645037511	/nfs/dbraw/zinc/03/75/11/645037511.db2.gz	XVYOSYXDTYPPMU-OLZOCXBDSA-N	-1	1	379.400	2.356	10	0		GEAEMM
C[C@@H](CN(C)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)C(=O)[O-]	ZINC000263316498	645660912	/nfs/dbraw/zinc/66/09/12/645660912.db2.gz	ZSHPMCHJACPUPN-VIFPVBQESA-N	-1	1	396.245	2.096	10	0		GEAEMM
C[C@@H](CN(C)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)[O-]	ZINC000263316498	645660918	/nfs/dbraw/zinc/66/09/18/645660918.db2.gz	ZSHPMCHJACPUPN-VIFPVBQESA-N	-1	1	396.245	2.096	10	0		GEAEMM
Cn1cc(S(=O)(=O)[N-]C[C@@H]2OCCc3sc(F)cc32)c(C(F)(F)F)n1	ZINC000886040560	653965696	/nfs/dbraw/zinc/96/56/96/653965696.db2.gz	QGVASSPDRMVGIF-QMMMGPOBSA-N	-1	1	399.391	2.232	10	0		GEAEMM
CCc1csc([C@@H]2CCCN(C(=O)c3coc(S(=O)(=O)[N-]C)c3)C2)n1	ZINC000151784693	531521177	/nfs/dbraw/zinc/52/11/77/531521177.db2.gz	FQZZNCKYBADPDG-LLVKDONJSA-N	-1	1	383.495	2.226	10	0		GEAEMM
COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(Br)c([O-])c1	ZINC000155121742	531658400	/nfs/dbraw/zinc/65/84/00/531658400.db2.gz	NKYZAMDBMQDJIU-NSHDSACASA-N	-1	1	381.230	2.158	10	0		GEAEMM
Cc1cnn(C[C@H]2CN(C(=O)c3ccc(Br)cc3[O-])CCO2)c1	ZINC000112117762	531944953	/nfs/dbraw/zinc/94/49/53/531944953.db2.gz	VSMXIQSHMZVJIT-CYBMUJFWSA-N	-1	1	380.242	2.201	10	0		GEAEMM
CCc1nnc([C@H]2CN(C(=O)c3ccc(Br)c([O-])c3)CCO2)[nH]1	ZINC000122371684	532067403	/nfs/dbraw/zinc/06/74/03/532067403.db2.gz	QEPGIHRDFDCMPD-GFCCVEGCSA-N	-1	1	381.230	2.049	10	0		GEAEMM
CCc1nc([C@H]2CN(C(=O)c3ccc(Br)c([O-])c3)CCO2)n[nH]1	ZINC000122371684	532067412	/nfs/dbraw/zinc/06/74/12/532067412.db2.gz	QEPGIHRDFDCMPD-GFCCVEGCSA-N	-1	1	381.230	2.049	10	0		GEAEMM
C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC000248896547	532556813	/nfs/dbraw/zinc/55/68/13/532556813.db2.gz	VJGIOYGGDNTLNP-UWVGGRQHSA-N	-1	1	376.837	2.035	10	0		GEAEMM
N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000001557164	571680138	/nfs/dbraw/zinc/68/01/38/571680138.db2.gz	NQIHMZLGCZNZBN-YLJYHZDGSA-N	-1	1	390.443	2.331	10	0	endogenous,in-man	GEAEMM
O=S(=O)([N-][C@@H]1CCCC[C@@H]1CO)c1cc(Br)cnc1Cl	ZINC000179491631	644463075	/nfs/dbraw/zinc/46/30/75/644463075.db2.gz	PORVJEFLFZKZDA-PSASIEDQSA-N	-1	1	383.695	2.327	10	0		GEAEMM
C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000185151754	645036943	/nfs/dbraw/zinc/03/69/43/645036943.db2.gz	ZEJABYIOPURBNC-NXEZZACHSA-N	-1	1	376.837	2.035	10	0		GEAEMM
O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cn[nH]c1-c1ccsc1	ZINC000187228218	645085884	/nfs/dbraw/zinc/08/58/84/645085884.db2.gz	LUCHMDLHVPGMFJ-UHFFFAOYSA-N	-1	1	378.391	2.165	10	0		GEAEMM
CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)C1C[C@H]2CSC[C@@H](C1)C2=O	ZINC000901320088	654119669	/nfs/dbraw/zinc/11/96/69/654119669.db2.gz	PMOVFDGWOYWUTO-FGWVZKOKSA-N	-1	1	386.470	2.094	10	0		GEAEMM
COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(Br)cc1[O-]	ZINC000179820263	532246376	/nfs/dbraw/zinc/24/63/76/532246376.db2.gz	NKJIVFQSZJARLJ-LLVKDONJSA-N	-1	1	381.230	2.158	10	0		GEAEMM
O=C([O-])[C@@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)C[C@H]1C(F)(F)F	ZINC000263015834	532611399	/nfs/dbraw/zinc/61/13/99/532611399.db2.gz	QILUQVRBDCGCEE-GHMZBOCLSA-N	-1	1	375.734	2.043	10	0		GEAEMM
CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1	ZINC000263481311	532626666	/nfs/dbraw/zinc/62/66/66/532626666.db2.gz	KWQJSTHYXGSZIW-UHFFFAOYSA-N	-1	1	399.271	2.348	10	0		GEAEMM
CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1	ZINC000263481311	532626672	/nfs/dbraw/zinc/62/66/72/532626672.db2.gz	KWQJSTHYXGSZIW-UHFFFAOYSA-N	-1	1	399.271	2.348	10	0		GEAEMM
O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1O)c1cc(Br)cnc1Cl	ZINC000096846001	643090796	/nfs/dbraw/zinc/09/07/96/643090796.db2.gz	YBLIQLYEKAFOPY-WPRPVWTQSA-N	-1	1	383.695	2.327	10	0		GEAEMM
O=C(NC[C@@H]1CCCC[C@@H]1O)c1cc(I)ccc1[O-]	ZINC000228128845	645394991	/nfs/dbraw/zinc/39/49/91/645394991.db2.gz	VIOQSULMONAMCW-CABZTGNLSA-N	-1	1	375.206	2.278	10	0		GEAEMM
C[C@H](CN(C)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)C(=O)[O-]	ZINC000263316497	645660990	/nfs/dbraw/zinc/66/09/90/645660990.db2.gz	ZSHPMCHJACPUPN-SECBINFHSA-N	-1	1	396.245	2.096	10	0		GEAEMM
C[C@H](CN(C)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)[O-]	ZINC000263316497	645660993	/nfs/dbraw/zinc/66/09/93/645660993.db2.gz	ZSHPMCHJACPUPN-SECBINFHSA-N	-1	1	396.245	2.096	10	0		GEAEMM
COC(=O)[C@@H]1CCCN(C(=O)c2cc(I)ccc2[O-])C1	ZINC000170737952	531889598	/nfs/dbraw/zinc/88/95/98/531889598.db2.gz	MWGOPVOSQVRCGB-SECBINFHSA-N	-1	1	389.189	2.022	10	0		GEAEMM
Cn1c(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)nnc1C1CC1	ZINC000195114847	532468422	/nfs/dbraw/zinc/46/84/22/532468422.db2.gz	LNJJRKBVULPCGS-UHFFFAOYSA-N	-1	1	378.845	2.105	10	0		GEAEMM
Cn1c(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)nnc1C1CC1	ZINC000195114847	532468427	/nfs/dbraw/zinc/46/84/27/532468427.db2.gz	LNJJRKBVULPCGS-UHFFFAOYSA-N	-1	1	378.845	2.105	10	0		GEAEMM
CCc1csc([C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)[N-]C)o3)C2)n1	ZINC000113201791	643385128	/nfs/dbraw/zinc/38/51/28/643385128.db2.gz	YXCHDOQDVXEULG-LLVKDONJSA-N	-1	1	383.495	2.226	10	0		GEAEMM
CC(C)c1nnc2n1C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)CC2	ZINC000181727942	644945495	/nfs/dbraw/zinc/94/54/95/644945495.db2.gz	RWOKNYISYCHJNH-SECBINFHSA-N	-1	1	390.296	2.397	10	0		GEAEMM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C12CCOCC2	ZINC000185155903	645037574	/nfs/dbraw/zinc/03/75/74/645037574.db2.gz	XVYOSYXDTYPPMU-QWHCGFSZSA-N	-1	1	379.400	2.356	10	0		GEAEMM
Cc1nc(CN2CCCN(C(=O)c3ccc(Br)c([O-])c3)CC2)no1	ZINC000154830584	531636250	/nfs/dbraw/zinc/63/62/50/531636250.db2.gz	ULZCNSXLPCTFHX-UHFFFAOYSA-N	-1	1	395.257	2.194	10	0		GEAEMM
CCn1c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2n(CC)c(=O)c1=O	ZINC000004884309	204087240	/nfs/dbraw/zinc/08/72/40/204087240.db2.gz	OQUYHKUBCVZYAL-UHFFFAOYSA-N	-1	1	387.461	2.312	10	0		GEAEMM
CC(C)(C)OC(=O)N1CCC[C@@H](NCC(=O)Nc2ccc(C(=O)[O-])cc2)C1	ZINC000253561685	206149789	/nfs/dbraw/zinc/14/97/89/206149789.db2.gz	CJRHYFONWMDYMT-OAHLLOKOSA-N	-1	1	377.441	2.312	10	0		GEAEMM
CCc1nnc([C@@H]2CN(C(=O)c3ccc(Br)cc3[O-])CCO2)[nH]1	ZINC000174644050	644378061	/nfs/dbraw/zinc/37/80/61/644378061.db2.gz	KTPPGJCVYQFZOJ-LBPRGKRZSA-N	-1	1	381.230	2.049	10	0		GEAEMM
CCc1nc([C@@H]2CN(C(=O)c3ccc(Br)cc3[O-])CCO2)n[nH]1	ZINC000174644050	644378064	/nfs/dbraw/zinc/37/80/64/644378064.db2.gz	KTPPGJCVYQFZOJ-LBPRGKRZSA-N	-1	1	381.230	2.049	10	0		GEAEMM
O=C(N[C@@H]1CCCC[C@H]1CO)c1cc(I)ccc1[O-]	ZINC000236502686	645411265	/nfs/dbraw/zinc/41/12/65/645411265.db2.gz	ZTYWJWOUSVMFNH-JOYOIKCWSA-N	-1	1	375.206	2.278	10	0		GEAEMM
O=C([O-])c1cc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc(Cl)c1Cl	ZINC000248904326	645542691	/nfs/dbraw/zinc/54/26/91/645542691.db2.gz	YDENXAWBSZDFGS-VIFPVBQESA-N	-1	1	379.265	2.160	10	0		GEAEMM
O=S(=O)([N-]C[C@@H]1CCn2ccnc2C1)c1sccc1Br	ZINC000328641836	647312086	/nfs/dbraw/zinc/31/20/86/647312086.db2.gz	YBPDRYFYTLCSBU-SECBINFHSA-N	-1	1	376.301	2.248	10	0		GEAEMM
C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(S(C)(=O)=O)cc1	ZINC000030501625	531637151	/nfs/dbraw/zinc/63/71/51/531637151.db2.gz	FLJWECWHZRCVHA-SNVBAGLBSA-N	-1	1	375.418	2.408	10	0		GEAEMM
CCn1ccnc1CS(=O)(=O)c1nnc(COc2ccc(Cl)cc2)[n-]1	ZINC000195117536	532471728	/nfs/dbraw/zinc/47/17/28/532471728.db2.gz	PZVMRLRRKKNSOL-UHFFFAOYSA-N	-1	1	381.845	2.227	10	0		GEAEMM
CCn1ccnc1CS(=O)(=O)c1n[n-]c(COc2ccc(Cl)cc2)n1	ZINC000195117536	532471733	/nfs/dbraw/zinc/47/17/33/532471733.db2.gz	PZVMRLRRKKNSOL-UHFFFAOYSA-N	-1	1	381.845	2.227	10	0		GEAEMM
O=C([O-])C[N@@H+](CC1CC1)C1CC(NS(=O)(=O)c2cc(F)ccc2Cl)C1	ZINC000263495896	532627755	/nfs/dbraw/zinc/62/77/55/532627755.db2.gz	QVFOGQXBTSMRRL-UHFFFAOYSA-N	-1	1	390.864	2.085	10	0		GEAEMM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(Cl)c1	ZINC000028580286	203786380	/nfs/dbraw/zinc/78/63/80/203786380.db2.gz	OCGKGCSWUODRFP-UHFFFAOYSA-N	-1	1	397.865	2.336	10	0		GEAEMM
O=C(Nc1ccccc1)c1nnc(C[N-]S(=O)(=O)c2cccc(F)c2)s1	ZINC000064991702	205206497	/nfs/dbraw/zinc/20/64/97/205206497.db2.gz	FDVHEWJGWHNLNO-UHFFFAOYSA-N	-1	1	392.437	2.408	10	0		GEAEMM
Cn1cc(CN2CCCN(C(=O)c3cc(Br)ccc3[O-])CC2)cn1	ZINC000109655510	643299148	/nfs/dbraw/zinc/29/91/48/643299148.db2.gz	CUVCECWYPCLOFC-UHFFFAOYSA-N	-1	1	393.285	2.236	10	0		GEAEMM
O=C(NC[C@@H]1CCCC[C@H]1O)c1cc(I)ccc1[O-]	ZINC000228128859	645395219	/nfs/dbraw/zinc/39/52/19/645395219.db2.gz	VIOQSULMONAMCW-JOYOIKCWSA-N	-1	1	375.206	2.278	10	0		GEAEMM
COC(=O)[C@@H]1CCCN(C(=O)c2ccc(I)c([O-])c2)C1	ZINC000230892985	645401307	/nfs/dbraw/zinc/40/13/07/645401307.db2.gz	HJIYBMMNXDNBTE-SNVBAGLBSA-N	-1	1	389.189	2.022	10	0		GEAEMM
O=C(c1ccc(I)c([O-])c1)N1CCC[C@@H]1CCCO	ZINC000230904141	645402939	/nfs/dbraw/zinc/40/29/39/645402939.db2.gz	KCQAJHUEEVPQSR-LLVKDONJSA-N	-1	1	375.206	2.374	10	0		GEAEMM
COC(=O)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(C)(C)C	ZINC000097588821	531937644	/nfs/dbraw/zinc/93/76/44/531937644.db2.gz	DDJTYJURWKVQHO-NSHDSACASA-N	-1	1	382.251	2.454	10	0		GEAEMM
O=C([O-])c1cc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc(Cl)c1Cl	ZINC000185011867	532336592	/nfs/dbraw/zinc/33/65/92/532336592.db2.gz	YDENXAWBSZDFGS-SECBINFHSA-N	-1	1	379.265	2.160	10	0		GEAEMM
O=C([O-])C[N@@H+](CC1CC1)C1CC(NS(=O)(=O)c2cccc(Cl)c2F)C1	ZINC000263463924	532626864	/nfs/dbraw/zinc/62/68/64/532626864.db2.gz	FNLLOOWMMFWCNG-UHFFFAOYSA-N	-1	1	390.864	2.085	10	0		GEAEMM
O=C([O-])C[N@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1	ZINC000263505532	532628296	/nfs/dbraw/zinc/62/82/96/532628296.db2.gz	VMYWFPWSTGHMLW-UHFFFAOYSA-N	-1	1	390.864	2.085	10	0		GEAEMM
O=C([O-])C[N@@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1	ZINC000263505532	532628304	/nfs/dbraw/zinc/62/83/04/532628304.db2.gz	VMYWFPWSTGHMLW-UHFFFAOYSA-N	-1	1	390.864	2.085	10	0		GEAEMM
CCN(Cc1ccco1)S(=O)(=O)c1nnc([N-]C(=O)c2ccco2)s1	ZINC000041085500	209095860	/nfs/dbraw/zinc/09/58/60/209095860.db2.gz	AFVTZQPSCFCHLK-UHFFFAOYSA-N	-1	1	382.423	2.187	10	0		GEAEMM
CC(C)(C)OC(=O)N1CCC[C@H](NCC(=O)Nc2ccc(C(=O)[O-])cc2)C1	ZINC000253561684	209042931	/nfs/dbraw/zinc/04/29/31/209042931.db2.gz	CJRHYFONWMDYMT-HNNXBMFYSA-N	-1	1	377.441	2.312	10	0		GEAEMM
O=C1[N-]C(=O)[C@@H](Cc2ccc(OCCN3COc4ccccc4C3=O)cc2)S1	ZINC000003961414	560191870	/nfs/dbraw/zinc/19/18/70/560191870.db2.gz	RFMNEXVCPAPDRA-QGZVFWFLSA-N	-1	1	398.440	2.452	10	0	in-vitro	GEAEMM
CCC(N[C@H](C)c1ccccc1Br)=C1C(=O)[N-]C(=S)NC1=O	ZINC000054504146	642754491	/nfs/dbraw/zinc/75/44/91/642754491.db2.gz	HVTZXBKYNGOXBS-MRVPVSSYSA-N	-1	1	382.283	2.295	10	0		GEAEMM
COC(=O)[C@@H]([N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c12)c1ccccc1	ZINC000093910811	643082058	/nfs/dbraw/zinc/08/20/58/643082058.db2.gz	NMAYMGOBGPOFRR-AWEZNQCLSA-N	-1	1	379.825	2.409	10	0		GEAEMM
CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1cn[nH]c1-c1ccsc1	ZINC000187237715	645086748	/nfs/dbraw/zinc/08/67/48/645086748.db2.gz	ZXVSACSQRPTUMV-UHFFFAOYSA-N	-1	1	376.463	2.245	10	0		GEAEMM
Cc1cccc(C(=O)N2CCC[C@@H]2c2nn[n-]n2)c1I	ZINC000720648017	651476425	/nfs/dbraw/zinc/47/64/25/651476425.db2.gz	GNNNMXOITANPEM-SNVBAGLBSA-N	-1	1	383.193	2.090	10	0		GEAEMM
Cc1cnn(C[C@@H]2CN(C(=O)c3ccc(Br)cc3[O-])CCO2)c1	ZINC000112117760	531945139	/nfs/dbraw/zinc/94/51/39/531945139.db2.gz	VSMXIQSHMZVJIT-ZDUSSCGKSA-N	-1	1	380.242	2.201	10	0		GEAEMM
C[C@@H](C(=O)N1CCc2sccc2C1)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000262950929	532608439	/nfs/dbraw/zinc/60/84/39/532608439.db2.gz	JREWLLLJOXYGBI-MVWJERBFSA-N	-1	1	376.400	2.216	10	0		GEAEMM
O=C(c1cnc(COc2ccc(F)cc2)[n-]c1=O)N1CCOC2(CCCC2)C1	ZINC000091846305	208138866	/nfs/dbraw/zinc/13/88/66/208138866.db2.gz	KLWNTIOXACRMPB-UHFFFAOYSA-N	-1	1	387.411	2.273	10	0		GEAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](c2nc(C)cs2)C(F)(F)F)o1	ZINC000122118083	643650314	/nfs/dbraw/zinc/65/03/14/643650314.db2.gz	CSPITWPJYRQIPT-VIFPVBQESA-N	-1	1	384.357	2.413	10	0		GEAEMM
CCc1nnc([C@H]2CN(C(=O)c3cc(Br)ccc3[O-])CCO2)[nH]1	ZINC000174644707	644378649	/nfs/dbraw/zinc/37/86/49/644378649.db2.gz	KIRCTMRHXYWGEG-GFCCVEGCSA-N	-1	1	381.230	2.049	10	0		GEAEMM
O=C(c1cc(I)ccc1[O-])N1CCC[C@@H]1CCCO	ZINC000236497586	645411400	/nfs/dbraw/zinc/41/14/00/645411400.db2.gz	ZBIGNZYDSRKAIE-LLVKDONJSA-N	-1	1	375.206	2.374	10	0		GEAEMM
CCn1ccnc1CS(=O)(=O)c1nc2nc(C)c(Br)cc2[n-]1	ZINC000152040168	531528656	/nfs/dbraw/zinc/52/86/56/531528656.db2.gz	KEWLIDYEKYIBMA-UHFFFAOYSA-N	-1	1	384.259	2.219	10	0		GEAEMM
CCn1ccnc1CS(=O)(=O)c1nc2cc(Br)c(C)[n-]c-2n1	ZINC000152040168	531528671	/nfs/dbraw/zinc/52/86/71/531528671.db2.gz	KEWLIDYEKYIBMA-UHFFFAOYSA-N	-1	1	384.259	2.219	10	0		GEAEMM
CN(c1ncccc1C(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)[O-])C1CCCCC1	ZINC000096131932	208266956	/nfs/dbraw/zinc/26/69/56/208266956.db2.gz	NILSUILYZLUBCB-QGZVFWFLSA-N	-1	1	383.452	2.398	10	0		GEAEMM
C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000248908017	645542827	/nfs/dbraw/zinc/54/28/27/645542827.db2.gz	ZEJABYIOPURBNC-UWVGGRQHSA-N	-1	1	376.837	2.035	10	0		GEAEMM
O=S(=O)([N-]C[C@H]1CCn2ccnc2C1)c1sccc1Br	ZINC000328641837	647311916	/nfs/dbraw/zinc/31/19/16/647311916.db2.gz	YBPDRYFYTLCSBU-VIFPVBQESA-N	-1	1	376.301	2.248	10	0		GEAEMM
O=C(c1cc(I)ccc1[O-])N1CCC[C@@H](n2cncn2)C1	ZINC000171822611	531918434	/nfs/dbraw/zinc/91/84/34/531918434.db2.gz	BCVMBIBGEHGFRU-LLVKDONJSA-N	-1	1	398.204	2.066	10	0		GEAEMM
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000248857980	532557833	/nfs/dbraw/zinc/55/78/33/532557833.db2.gz	FACGGMBNTLJYKJ-MNOVXSKESA-N	-1	1	390.864	2.425	10	0		GEAEMM
Cc1[nH]c(=O)sc1S(=O)(=O)[N-]Cc1cc(F)ccc1Br	ZINC000038039540	207263218	/nfs/dbraw/zinc/26/32/18/207263218.db2.gz	VZLGPLCUBPFYRJ-UHFFFAOYSA-N	-1	1	381.248	2.125	10	0		GEAEMM
COc1ccccc1-n1cc([C@@H](C)NC(=O)c2cnc(C3CC3)[n-]c2=O)cn1	ZINC000091519151	208124222	/nfs/dbraw/zinc/12/42/22/208124222.db2.gz	GJYRPGRAOKELME-GFCCVEGCSA-N	-1	1	379.420	2.333	10	0		GEAEMM
CCC(N[C@@H](C)c1ccccc1Br)=C1C(=O)[N-]C(=S)NC1=O	ZINC000054504143	642754556	/nfs/dbraw/zinc/75/45/56/642754556.db2.gz	HVTZXBKYNGOXBS-QMMMGPOBSA-N	-1	1	382.283	2.295	10	0		GEAEMM
O=C([N-]S(=O)(=O)CCOc1ccccc1)c1cn[nH]c1-c1ccsc1	ZINC000187440026	645091031	/nfs/dbraw/zinc/09/10/31/645091031.db2.gz	LOPONYWWNUPCLU-UHFFFAOYSA-N	-1	1	377.447	2.277	10	0		GEAEMM
CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2cn[nH]c2-c2ccsc2)c1	ZINC000187488981	645091513	/nfs/dbraw/zinc/09/15/13/645091513.db2.gz	KFZOLUSWJVTVFB-UHFFFAOYSA-N	-1	1	379.467	2.109	10	0		GEAEMM
O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc(I)c([O-])c1	ZINC000230903246	645402162	/nfs/dbraw/zinc/40/21/62/645402162.db2.gz	JSUFYFGVEHJFGM-PWSUYJOCSA-N	-1	1	375.206	2.278	10	0		GEAEMM
O=C(N[C@H]1CCCC[C@@H]1CO)c1cc(I)ccc1[O-]	ZINC000236496413	645411015	/nfs/dbraw/zinc/41/10/15/645411015.db2.gz	ZTYWJWOUSVMFNH-SKDRFNHKSA-N	-1	1	375.206	2.278	10	0		GEAEMM
O=C(c1ccc(I)c([O-])c1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1	ZINC000398670903	647900296	/nfs/dbraw/zinc/90/02/96/647900296.db2.gz	DVUOWHBGOJWJNV-TUAOUCFPSA-N	-1	1	387.217	2.230	10	0		GEAEMM
Cc1cnn(C[C@@H]2CN(C(=O)c3ccc(Br)c([O-])c3)CCO2)c1	ZINC000155914239	531705314	/nfs/dbraw/zinc/70/53/14/531705314.db2.gz	KKPRVZDTFQYZIS-ZDUSSCGKSA-N	-1	1	380.242	2.201	10	0		GEAEMM
O=C(c1cc(I)ccc1[O-])N1CCC[C@H](n2cncn2)C1	ZINC000171822607	531918766	/nfs/dbraw/zinc/91/87/66/531918766.db2.gz	BCVMBIBGEHGFRU-NSHDSACASA-N	-1	1	398.204	2.066	10	0		GEAEMM
CCCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)OCC)C[C@@H]2CCCC[C@@H]21)C(=O)[O-]	ZINC000038174251	206305565	/nfs/dbraw/zinc/30/55/65/206305565.db2.gz	YSTYLHQNVGRLGG-WOYTXXSLSA-N	-1	1	382.501	2.331	10	0	in-man	GEAEMM
CCC(=O)Nc1cnc(N2CCC(CCN3CCOCC3)CC2)c(C(=O)[O-])c1	ZINC000064978873	136158401	/nfs/dbraw/zinc/15/84/01/136158401.db2.gz	RBPKOAUHVDJJOV-UHFFFAOYSA-N	-1	1	390.484	2.067	10	0		GEAEMM
Cc1cnn(CC[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c1	ZINC000117927152	643501502	/nfs/dbraw/zinc/50/15/02/643501502.db2.gz	KCCZZZRJFPJGFO-UHFFFAOYSA-N	-1	1	380.214	2.211	10	0		GEAEMM
C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC000185151105	645037133	/nfs/dbraw/zinc/03/71/33/645037133.db2.gz	VJGIOYGGDNTLNP-VHSXEESVSA-N	-1	1	376.837	2.035	10	0		GEAEMM
CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C12CCOCC2	ZINC000185158374	645037685	/nfs/dbraw/zinc/03/76/85/645037685.db2.gz	NROIPAABNQGMMW-CABCVRRESA-N	-1	1	379.400	2.356	10	0		GEAEMM
O=C(NC[C@H]1CCCC[C@H]1O)c1cc(I)ccc1[O-]	ZINC000228128867	645395055	/nfs/dbraw/zinc/39/50/55/645395055.db2.gz	VIOQSULMONAMCW-BXKDBHETSA-N	-1	1	375.206	2.278	10	0		GEAEMM
O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc(I)c([O-])c1	ZINC000230903241	645402058	/nfs/dbraw/zinc/40/20/58/645402058.db2.gz	JSUFYFGVEHJFGM-ZYHUDNBSSA-N	-1	1	375.206	2.278	10	0		GEAEMM
CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1	ZINC000262490601	645633829	/nfs/dbraw/zinc/63/38/29/645633829.db2.gz	WSKIEMBSMJRGQM-UHFFFAOYSA-N	-1	1	387.310	2.271	10	0		GEAEMM
CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1	ZINC000262490601	645633846	/nfs/dbraw/zinc/63/38/46/645633846.db2.gz	WSKIEMBSMJRGQM-UHFFFAOYSA-N	-1	1	387.310	2.271	10	0		GEAEMM
O=C1CSCN1n1c(=O)c(C=Cc2c(O)ccc3ccccc32)n[n-]c1=S	ZINC000100456297	570297101	/nfs/dbraw/zinc/29/71/01/570297101.db2.gz	LJMMKJSKACNBPE-SREVYHEPSA-N	-1	1	398.469	2.499	10	0		GEAEMM
COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCCC2)cc1	ZINC000035479676	570367395	/nfs/dbraw/zinc/36/73/95/570367395.db2.gz	FTFZUBTWJLGJSA-UHFFFAOYSA-N	-1	1	377.422	2.189	10	0		GEAEMM
O=C(c1ccc(Br)cc1[O-])N1CCCN(c2cccnn2)CC1	ZINC000109630338	643298594	/nfs/dbraw/zinc/29/85/94/643298594.db2.gz	APUJNZLLCNHNBM-UHFFFAOYSA-N	-1	1	377.242	2.297	10	0		GEAEMM
CCc1csc([C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)[N-]C)o3)C2)n1	ZINC000113201793	643385178	/nfs/dbraw/zinc/38/51/78/643385178.db2.gz	YXCHDOQDVXEULG-NSHDSACASA-N	-1	1	383.495	2.226	10	0		GEAEMM
C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC000248896553	532557479	/nfs/dbraw/zinc/55/74/79/532557479.db2.gz	VJGIOYGGDNTLNP-ZJUUUORDSA-N	-1	1	376.837	2.035	10	0		GEAEMM
O=C([O-])C[N@@H+](CC1CC1)C1CC(NS(=O)(=O)c2c(F)cccc2Cl)C1	ZINC000263467602	532626984	/nfs/dbraw/zinc/62/69/84/532626984.db2.gz	GSDBEBADKSHGCN-UHFFFAOYSA-N	-1	1	390.864	2.085	10	0		GEAEMM
O=C([O-])C[N@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2c(F)cccc2Cl)C1	ZINC000263467602	532626987	/nfs/dbraw/zinc/62/69/87/532626987.db2.gz	GSDBEBADKSHGCN-UHFFFAOYSA-N	-1	1	390.864	2.085	10	0		GEAEMM
O=C([O-])C[N@@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2c(F)cccc2Cl)C1	ZINC000263467602	532626989	/nfs/dbraw/zinc/62/69/89/532626989.db2.gz	GSDBEBADKSHGCN-UHFFFAOYSA-N	-1	1	390.864	2.085	10	0		GEAEMM
COc1ccccc1-n1cc([C@H](C)NC(=O)c2cnc(C3CC3)[n-]c2=O)cn1	ZINC000091519150	208122647	/nfs/dbraw/zinc/12/26/47/208122647.db2.gz	GJYRPGRAOKELME-LBPRGKRZSA-N	-1	1	379.420	2.333	10	0		GEAEMM
N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000001557162	571679884	/nfs/dbraw/zinc/67/98/84/571679884.db2.gz	NQIHMZLGCZNZBN-XLIONFOSSA-N	-1	1	390.443	2.331	10	0	endogenous,in-man	GEAEMM
Cn1cc(S(=O)(=O)[N-]C[C@H]2OCCc3sc(F)cc32)c(C(F)(F)F)n1	ZINC000886040559	653965590	/nfs/dbraw/zinc/96/55/90/653965590.db2.gz	QGVASSPDRMVGIF-MRVPVSSYSA-N	-1	1	399.391	2.232	10	0		GEAEMM
COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(Br)c([O-])c1	ZINC000155121847	531657568	/nfs/dbraw/zinc/65/75/68/531657568.db2.gz	NKYZAMDBMQDJIU-LLVKDONJSA-N	-1	1	381.230	2.158	10	0		GEAEMM
O=C([O-])c1cc(Br)ccc1NS(=O)(=O)c1cncc(F)c1	ZINC000050200986	642677640	/nfs/dbraw/zinc/67/76/40/642677640.db2.gz	KPFQJCVTCNCMBN-UHFFFAOYSA-N	-1	1	375.175	2.482	10	0		GEAEMM
Cn1cnc(S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2ccccc2)c1Cl	ZINC000152154995	643965047	/nfs/dbraw/zinc/96/50/47/643965047.db2.gz	FSFVNTQLISEVIP-GFCCVEGCSA-N	-1	1	385.873	2.435	10	0		GEAEMM
CCc1nnc([C@H]2CN(C(=O)c3ccc(Br)cc3[O-])CCO2)[nH]1	ZINC000174644064	644377875	/nfs/dbraw/zinc/37/78/75/644377875.db2.gz	KTPPGJCVYQFZOJ-GFCCVEGCSA-N	-1	1	381.230	2.049	10	0		GEAEMM
CCc1nc([C@H]2CN(C(=O)c3ccc(Br)cc3[O-])CCO2)n[nH]1	ZINC000174644064	644377881	/nfs/dbraw/zinc/37/78/81/644377881.db2.gz	KTPPGJCVYQFZOJ-GFCCVEGCSA-N	-1	1	381.230	2.049	10	0		GEAEMM
CC(C)c1nnc2n1C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)CC2	ZINC000181727960	644945329	/nfs/dbraw/zinc/94/53/29/644945329.db2.gz	RWOKNYISYCHJNH-VIFPVBQESA-N	-1	1	390.296	2.397	10	0		GEAEMM
Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(I)ccc1[O-]	ZINC000176284765	532132162	/nfs/dbraw/zinc/13/21/62/532132162.db2.gz	CGPXGWCNKPVZRC-LLVKDONJSA-N	-1	1	398.204	2.162	10	0		GEAEMM
O=S(=O)([N-][C@H]1CCc2ncnn2C1)c1c(Cl)cccc1C(F)(F)F	ZINC000151190037	532307657	/nfs/dbraw/zinc/30/76/57/532307657.db2.gz	KSJKVNFXYACNJE-QMMMGPOBSA-N	-1	1	380.779	2.244	10	0		GEAEMM
Cn1cc([C@H]2OCC[C@@H]2[N-]S(=O)(=O)c2sccc2Br)cn1	ZINC000189198099	532351281	/nfs/dbraw/zinc/35/12/81/532351281.db2.gz	IUJPOKPCDCQMEP-WDEREUQCSA-N	-1	1	392.300	2.053	10	0		GEAEMM
Cn1cc(CN2CCCN(C(=O)c3ccc(Br)cc3[O-])CC2)cn1	ZINC000109657393	643298999	/nfs/dbraw/zinc/29/89/99/643298999.db2.gz	UADKBQMRWKJIJT-UHFFFAOYSA-N	-1	1	393.285	2.236	10	0		GEAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2Br)co1	ZINC000159287289	644185067	/nfs/dbraw/zinc/18/50/67/644185067.db2.gz	PTWDYQPRDDEHNV-VIFPVBQESA-N	-1	1	387.255	2.441	10	0		GEAEMM
CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)c2[nH]nc3c2CCCC3)c1	ZINC000163431703	644256260	/nfs/dbraw/zinc/25/62/60/644256260.db2.gz	QWDOJQVEXFEVHT-UHFFFAOYSA-N	-1	1	381.841	2.263	10	0		GEAEMM
CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C12CCOCC2	ZINC000185158335	645037665	/nfs/dbraw/zinc/03/76/65/645037665.db2.gz	NROIPAABNQGMMW-GJZGRUSLSA-N	-1	1	379.400	2.356	10	0		GEAEMM
O=C([N-]S(=O)(=O)N1CCc2sccc2C1)c1cn[nH]c1-c1ccsc1	ZINC000187380966	645089746	/nfs/dbraw/zinc/08/97/46/645089746.db2.gz	IECHFVYKLCUKHD-UHFFFAOYSA-N	-1	1	394.503	2.233	10	0		GEAEMM
O=C(NC[C@H]1CCCC[C@@H]1O)c1cc(I)ccc1[O-]	ZINC000228128852	645395037	/nfs/dbraw/zinc/39/50/37/645395037.db2.gz	VIOQSULMONAMCW-SKDRFNHKSA-N	-1	1	375.206	2.278	10	0		GEAEMM
O=C(N[C@H]1CCCC[C@H]1CO)c1cc(I)ccc1[O-]	ZINC000236518700	645411136	/nfs/dbraw/zinc/41/11/36/645411136.db2.gz	ZTYWJWOUSVMFNH-CABZTGNLSA-N	-1	1	375.206	2.278	10	0		GEAEMM
Cn1cc(CN2CCCN(C(=O)c3ccc(Br)c([O-])c3)CC2)cn1	ZINC000133419354	532234405	/nfs/dbraw/zinc/23/44/05/532234405.db2.gz	UONJIGVCHNWWTD-UHFFFAOYSA-N	-1	1	393.285	2.236	10	0		GEAEMM
CCOC(=O)[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1C)c1ccc(Cl)cc1	ZINC000192990873	532415748	/nfs/dbraw/zinc/41/57/48/532415748.db2.gz	IOCVPUHOKXJDIT-CQSZACIVSA-N	-1	1	385.873	2.273	10	0		GEAEMM
C[C@@H]1CCc2c(sc(NC(=O)C[NH+]3CCC(C(=O)[O-])CC3)c2C(=O)[O-])C1	ZINC000020342179	210329205	/nfs/dbraw/zinc/32/92/05/210329205.db2.gz	YJOXIQRUMILNGC-SNVBAGLBSA-N	-1	1	380.466	2.306	10	0		GEAEMM
Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(C)CC2)c1	ZINC000058009268	136154233	/nfs/dbraw/zinc/15/42/33/136154233.db2.gz	NSSFUUTZYCTVKJ-UHFFFAOYSA-N	-1	1	389.477	2.246	10	0		GEAEMM
C[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ccc(S(N)(=O)=O)cc1	ZINC000120016922	643585439	/nfs/dbraw/zinc/58/54/39/643585439.db2.gz	ZIRLBHHOLDQAEN-SECBINFHSA-N	-1	1	399.266	2.293	10	0		GEAEMM
O=S(=O)([N-][C@@H]1CCCC[C@H]1CO)c1cc(Br)cnc1Cl	ZINC000179491650	644462669	/nfs/dbraw/zinc/46/26/69/644462669.db2.gz	PORVJEFLFZKZDA-WCBMZHEXSA-N	-1	1	383.695	2.327	10	0		GEAEMM
O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1cn[nH]c1-c1ccsc1	ZINC000187360137	645089635	/nfs/dbraw/zinc/08/96/35/645089635.db2.gz	FAMHBGMGZCPEMV-UHFFFAOYSA-N	-1	1	382.854	2.446	10	0		GEAEMM
O=C([N-]S(=O)(=O)c1ccc(Br)cc1)c1[nH]nc2c1CCCC2	ZINC000192482225	645208965	/nfs/dbraw/zinc/20/89/65/645208965.db2.gz	GQOFRLLSDOVSHA-UHFFFAOYSA-N	-1	1	384.255	2.170	10	0		GEAEMM
CCC[C@@H](NCC(=O)N(C)CCOc1ccc(Br)cc1)C(=O)[O-]	ZINC000262279126	645623638	/nfs/dbraw/zinc/62/36/38/645623638.db2.gz	KMZNCTJCVYRZAM-CQSZACIVSA-N	-1	1	387.274	2.129	10	0		GEAEMM
O=C(c1ccc(Br)c([O-])c1)N1CCCN(c2cccnn2)CC1	ZINC000152955272	531581686	/nfs/dbraw/zinc/58/16/86/531581686.db2.gz	ZZKXRGUEDRYUCI-UHFFFAOYSA-N	-1	1	377.242	2.297	10	0		GEAEMM
O=C(c1cc(I)ccc1[O-])N1CCC[C@@H]1Cn1ccnc1	ZINC000188977647	532350497	/nfs/dbraw/zinc/35/04/97/532350497.db2.gz	BVZCTBIKEJNREV-GFCCVEGCSA-N	-1	1	397.216	2.498	10	0		GEAEMM
CC(C)(C)OC(=O)N1CCC[C@@](C(=O)[O-])(C(=O)OCc2ccccc2)[C@H]1N	ZINC000090601305	211187749	/nfs/dbraw/zinc/18/77/49/211187749.db2.gz	CCDDHLPQWUFMKZ-IFXJQAMLSA-N	-1	1	378.425	2.117	10	0		GEAEMM
CC(C)(C)OC(=O)N1CCC[C@](C(=O)[O-])(C(=O)OCc2ccccc2)[C@@H]1N	ZINC000090601302	211187429	/nfs/dbraw/zinc/18/74/29/211187429.db2.gz	CCDDHLPQWUFMKZ-KUHUBIRLSA-N	-1	1	378.425	2.117	10	0		GEAEMM
O=C([N-]S(=O)(=O)c1ccc2c(c1)COC2)c1cn[nH]c1-c1ccsc1	ZINC000187484595	645091482	/nfs/dbraw/zinc/09/14/82/645091482.db2.gz	WOVFQSWHMVUALF-UHFFFAOYSA-N	-1	1	375.431	2.287	10	0		GEAEMM
Cc1cnn(C[C@@H]2CN(C(=O)c3cc(Br)ccc3[O-])CCO2)c1	ZINC000112117850	531944569	/nfs/dbraw/zinc/94/45/69/531944569.db2.gz	QRELBPYVZFLFGG-ZDUSSCGKSA-N	-1	1	380.242	2.201	10	0		GEAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)o1	ZINC000128743914	532167810	/nfs/dbraw/zinc/16/78/10/532167810.db2.gz	HQPPKMXVNQVBLE-GFCCVEGCSA-N	-1	1	376.356	2.091	10	0		GEAEMM
COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(Br)cc1[O-]	ZINC000179820247	532246331	/nfs/dbraw/zinc/24/63/31/532246331.db2.gz	NKJIVFQSZJARLJ-NSHDSACASA-N	-1	1	381.230	2.158	10	0		GEAEMM
O=S(=O)([N-][C@@H]1CCc2ncnn2C1)c1c(Cl)cccc1C(F)(F)F	ZINC000151189974	532307750	/nfs/dbraw/zinc/30/77/50/532307750.db2.gz	KSJKVNFXYACNJE-MRVPVSSYSA-N	-1	1	380.779	2.244	10	0		GEAEMM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C12CCOCC2	ZINC000185155941	645037586	/nfs/dbraw/zinc/03/75/86/645037586.db2.gz	XVYOSYXDTYPPMU-CHWSQXEVSA-N	-1	1	379.400	2.356	10	0		GEAEMM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C12CCOCC2	ZINC000185158354	645037600	/nfs/dbraw/zinc/03/76/00/645037600.db2.gz	NROIPAABNQGMMW-HUUCEWRRSA-N	-1	1	379.400	2.356	10	0		GEAEMM
CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)CC2	ZINC000172605370	531961016	/nfs/dbraw/zinc/96/10/16/531961016.db2.gz	CLKGCPZNHKBFPZ-VIFPVBQESA-N	-1	1	390.296	2.397	10	0		GEAEMM
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(I)ccc1[O-]	ZINC000176284746	532132307	/nfs/dbraw/zinc/13/23/07/532132307.db2.gz	CGPXGWCNKPVZRC-NSHDSACASA-N	-1	1	398.204	2.162	10	0		GEAEMM
CN1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000058009205	136154246	/nfs/dbraw/zinc/15/42/46/136154246.db2.gz	YEZUGVSVNDZFDS-UHFFFAOYSA-N	-1	1	393.440	2.077	10	0		GEAEMM
O=C([O-])c1cc(NS(=O)(=O)c2ccccc2Cl)cnc1N1CCOCC1	ZINC000035397700	570349031	/nfs/dbraw/zinc/34/90/31/570349031.db2.gz	CLVDMMRLVYEAFT-UHFFFAOYSA-N	-1	1	397.840	2.071	10	0		GEAEMM
C[C@H](NC(=O)c1cc(Br)ccc1[O-])c1ccc(S(N)(=O)=O)cc1	ZINC000120030319	643587016	/nfs/dbraw/zinc/58/70/16/643587016.db2.gz	PKSSBWGLXRHIBV-VIFPVBQESA-N	-1	1	399.266	2.293	10	0		GEAEMM
O=S(=O)([N-][C@H]1CCCC[C@H]1CO)c1cc(Br)cnc1Cl	ZINC000179491660	644463052	/nfs/dbraw/zinc/46/30/52/644463052.db2.gz	PORVJEFLFZKZDA-WPRPVWTQSA-N	-1	1	383.695	2.327	10	0		GEAEMM
COc1ccc2nc([S@](=O)Cc3ncc(C(=O)[O-])c(OC)c3C)[nH]c2c1	ZINC000031416469	570504357	/nfs/dbraw/zinc/50/43/57/570504357.db2.gz	QRGFNZYFRUUYBG-SANMLTNESA-N	-1	1	375.406	2.290	10	0	in-vitro	GEAEMM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2[nH]nc3c2CCCC3)c(Br)c1	ZINC000173981119	644365193	/nfs/dbraw/zinc/36/51/93/644365193.db2.gz	MOBNMEPFGPJQNK-UHFFFAOYSA-N	-1	1	398.282	2.478	10	0		GEAEMM
C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(S(C)(=O)=O)cc1	ZINC000030501629	531637105	/nfs/dbraw/zinc/63/71/05/531637105.db2.gz	FLJWECWHZRCVHA-JTQLQIEISA-N	-1	1	375.418	2.408	10	0		GEAEMM
CC(C)(C)OC(=O)N1CCCC[C@H]1c1nc(C[N-]C(=O)C(F)(F)F)n[nH]1	ZINC000536951791	570470206	/nfs/dbraw/zinc/47/02/06/570470206.db2.gz	WSOJKQFEQQVCTH-VIFPVBQESA-N	-1	1	377.367	2.445	10	0		GEAEMM
O=S(=O)([N-][C@H]1CCCC[C@@H]1CO)c1cc(Br)cnc1Cl	ZINC000179491640	644462857	/nfs/dbraw/zinc/46/28/57/644462857.db2.gz	PORVJEFLFZKZDA-SCZZXKLOSA-N	-1	1	383.695	2.327	10	0		GEAEMM
O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(I)c([O-])c1	ZINC000230903248	645403005	/nfs/dbraw/zinc/40/30/05/645403005.db2.gz	JSUFYFGVEHJFGM-CMPLNLGQSA-N	-1	1	375.206	2.278	10	0		GEAEMM
O=C(N[C@@H]1CCCC[C@@H]1CO)c1cc(I)ccc1[O-]	ZINC000236504238	645411108	/nfs/dbraw/zinc/41/11/08/645411108.db2.gz	ZTYWJWOUSVMFNH-BXKDBHETSA-N	-1	1	375.206	2.278	10	0		GEAEMM
CCC[C@H](NCC(=O)N(C)CCOc1ccc(Br)cc1)C(=O)[O-]	ZINC000262279124	645623942	/nfs/dbraw/zinc/62/39/42/645623942.db2.gz	KMZNCTJCVYRZAM-AWEZNQCLSA-N	-1	1	387.274	2.129	10	0		GEAEMM
O=C1[N-]C(=O)[C@H](Cc2ccc(OCCN3COc4ccccc4C3=O)cc2)S1	ZINC000001487608	560180710	/nfs/dbraw/zinc/18/07/10/560180710.db2.gz	RFMNEXVCPAPDRA-KRWDZBQOSA-N	-1	1	398.440	2.452	10	0	in-vitro	GEAEMM
CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)C2=C1C(=O)[N-]C(=S)NC1=O	ZINC000006359111	570477806	/nfs/dbraw/zinc/47/78/06/570477806.db2.gz	OBBWXRWHWHHIKQ-UHFFFAOYSA-N	-1	1	381.457	2.076	10	0		GEAEMM
COC(=O)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1[O-]	ZINC000192683215	645220787	/nfs/dbraw/zinc/22/07/87/645220787.db2.gz	COPRRJZHCVEFRN-NSHDSACASA-N	-1	1	389.189	2.165	10	0		GEAEMM
O=C(N[C@H]1CCCC[C@H]1CO)c1ccc(I)c([O-])c1	ZINC000230903253	645402529	/nfs/dbraw/zinc/40/25/29/645402529.db2.gz	JSUFYFGVEHJFGM-JQWIXIFHSA-N	-1	1	375.206	2.278	10	0		GEAEMM
O=C([O-])C[N@@H+](CC1CC1)C1CC(NS(=O)(=O)c2ccc(Cl)cc2F)C1	ZINC000263461154	645665616	/nfs/dbraw/zinc/66/56/16/645665616.db2.gz	DPZRDCYNYZIAAZ-UHFFFAOYSA-N	-1	1	390.864	2.085	10	0		GEAEMM
COC(=O)[C@@]1(C)CCCN1C(=O)c1cc(I)ccc1[O-]	ZINC000190518587	532356545	/nfs/dbraw/zinc/35/65/45/532356545.db2.gz	VGSJJKZQVKJGDB-CQSZACIVSA-N	-1	1	389.189	2.165	10	0		GEAEMM
CCCNC(=O)[C@H](C)NC(=O)CCn1c(=S)[n-]nc1-c1ccc(OC)cc1	ZINC000009315215	221076964	/nfs/dbraw/zinc/07/69/64/221076964.db2.gz	VLGWFVPSZWXXQN-LBPRGKRZSA-N	-1	1	391.497	2.037	10	0		GEAEMM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C12CCOCC2	ZINC000185158314	645037636	/nfs/dbraw/zinc/03/76/36/645037636.db2.gz	NROIPAABNQGMMW-LSDHHAIUSA-N	-1	1	379.400	2.356	10	0		GEAEMM
O=C(c1cc(I)ccc1[O-])N1CCC[C@H]1CCCO	ZINC000236491901	645410364	/nfs/dbraw/zinc/41/03/64/645410364.db2.gz	ZBIGNZYDSRKAIE-NSHDSACASA-N	-1	1	375.206	2.374	10	0		GEAEMM
C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000248908022	645542837	/nfs/dbraw/zinc/54/28/37/645542837.db2.gz	ZEJABYIOPURBNC-ZJUUUORDSA-N	-1	1	376.837	2.035	10	0		GEAEMM
CCc1csc([C@H]2CCCN(C(=O)c3coc(S(=O)(=O)[N-]C)c3)C2)n1	ZINC000151784760	531521316	/nfs/dbraw/zinc/52/13/16/531521316.db2.gz	FQZZNCKYBADPDG-NSHDSACASA-N	-1	1	383.495	2.226	10	0		GEAEMM
CCn1c(-c2ccc([O-])c(Br)c2)nc2c1c(=O)[nH]c(=O)n2CC	ZINC000195512010	532479786	/nfs/dbraw/zinc/47/97/86/532479786.db2.gz	NJDCGGNKZOAJQN-UHFFFAOYSA-N	-1	1	379.214	2.061	10	0		GEAEMM
CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1	ZINC000263514744	532628363	/nfs/dbraw/zinc/62/83/63/532628363.db2.gz	ZFBLQMDWAIYSJR-UHFFFAOYSA-N	-1	1	399.271	2.348	10	0		GEAEMM
CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1	ZINC000263514744	532628367	/nfs/dbraw/zinc/62/83/67/532628367.db2.gz	ZFBLQMDWAIYSJR-UHFFFAOYSA-N	-1	1	399.271	2.348	10	0		GEAEMM
CCC[C@H](NCC(=O)Nc1ccc(I)cc1C)C(=O)[O-]	ZINC000036840174	642511007	/nfs/dbraw/zinc/51/10/07/642511007.db2.gz	GMGPYQBDCCKZOW-LBPRGKRZSA-N	-1	1	390.221	2.381	10	0		GEAEMM
O=C([O-])c1ccc(Br)cc1NS(=O)(=O)c1cncc(F)c1	ZINC000044260754	642572535	/nfs/dbraw/zinc/57/25/35/642572535.db2.gz	OOUKCRPFMADKGN-UHFFFAOYSA-N	-1	1	375.175	2.482	10	0		GEAEMM
O=C(c1cc(Br)ccc1[O-])N1CCCN(c2cccnn2)CC1	ZINC000109628527	643298259	/nfs/dbraw/zinc/29/82/59/643298259.db2.gz	IFFKHZZKCSACTO-UHFFFAOYSA-N	-1	1	377.242	2.297	10	0		GEAEMM
Cn1cc([C@H]2CCN(C(=O)c3cc(I)ccc3[O-])C2)cn1	ZINC000116466483	643464227	/nfs/dbraw/zinc/46/42/27/643464227.db2.gz	LJKLCEGJSKVTEI-JTQLQIEISA-N	-1	1	397.216	2.360	10	0		GEAEMM
C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC000185151090	645036985	/nfs/dbraw/zinc/03/69/85/645036985.db2.gz	VJGIOYGGDNTLNP-NXEZZACHSA-N	-1	1	376.837	2.035	10	0		GEAEMM
CS(=O)(=O)Cc1cccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1	ZINC000195014405	645354782	/nfs/dbraw/zinc/35/47/82/645354782.db2.gz	AXDHXLSYODXZGZ-UHFFFAOYSA-N	-1	1	393.408	2.127	10	0		GEAEMM
COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(I)c([O-])c1	ZINC000230890300	645401271	/nfs/dbraw/zinc/40/12/71/645401271.db2.gz	ASRSOHOOZJBOFH-NSHDSACASA-N	-1	1	389.189	2.165	10	0		GEAEMM
O=C(N[C@@H]1CCCCC[C@H]1O)c1ccc(I)c([O-])c1	ZINC000236543400	645411305	/nfs/dbraw/zinc/41/13/05/645411305.db2.gz	RDDBUNSUOFJTPE-VXGBXAGGSA-N	-1	1	375.206	2.420	10	0		GEAEMM
Cc1nc(CN2CCCN(C(=O)c3ccc(Br)cc3[O-])CC2)no1	ZINC000171759164	531913764	/nfs/dbraw/zinc/91/37/64/531913764.db2.gz	OFTIXDNENFZMTG-UHFFFAOYSA-N	-1	1	395.257	2.194	10	0		GEAEMM
Cc1nc(CN2CCCN(C(=O)c3cc(Br)ccc3[O-])CC2)no1	ZINC000171759415	531916308	/nfs/dbraw/zinc/91/63/08/531916308.db2.gz	YCJCGDKNUGKBGT-UHFFFAOYSA-N	-1	1	395.257	2.194	10	0		GEAEMM
CCc1nnc([C@@H]2CN(C(=O)c3ccc(Br)c([O-])c3)CCO2)[nH]1	ZINC000122371466	532067624	/nfs/dbraw/zinc/06/76/24/532067624.db2.gz	QEPGIHRDFDCMPD-LBPRGKRZSA-N	-1	1	381.230	2.049	10	0		GEAEMM
CCc1nc([C@@H]2CN(C(=O)c3ccc(Br)c([O-])c3)CCO2)n[nH]1	ZINC000122371466	532067635	/nfs/dbraw/zinc/06/76/35/532067635.db2.gz	QEPGIHRDFDCMPD-LBPRGKRZSA-N	-1	1	381.230	2.049	10	0		GEAEMM
C[C@H](C(=O)N1CCc2sccc2C1)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000262950930	532607507	/nfs/dbraw/zinc/60/75/07/532607507.db2.gz	JREWLLLJOXYGBI-YUSALJHKSA-N	-1	1	376.400	2.216	10	0		GEAEMM
COc1cccc(CS(=O)(=O)[N-]C(=O)c2cn[nH]c2-c2ccsc2)c1	ZINC000187489983	645092111	/nfs/dbraw/zinc/09/21/11/645092111.db2.gz	FRMCXWRHDYYNAQ-UHFFFAOYSA-N	-1	1	377.447	2.407	10	0		GEAEMM
O=C(c1ccc(I)c([O-])c1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1	ZINC000398670892	647900014	/nfs/dbraw/zinc/90/00/14/647900014.db2.gz	DVUOWHBGOJWJNV-SDDRHHMPSA-N	-1	1	387.217	2.230	10	0		GEAEMM
O=C(c1ccc(I)c([O-])c1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1	ZINC000398670899	647900226	/nfs/dbraw/zinc/90/02/26/647900226.db2.gz	DVUOWHBGOJWJNV-SRVKXCTJSA-N	-1	1	387.217	2.230	10	0		GEAEMM
C[C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccc(S(N)(=O)=O)cc1	ZINC000120016757	643585474	/nfs/dbraw/zinc/58/54/74/643585474.db2.gz	ZIRLBHHOLDQAEN-VIFPVBQESA-N	-1	1	399.266	2.293	10	0		GEAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](c2nc(C)cs2)C(F)(F)F)o1	ZINC000122118322	643650443	/nfs/dbraw/zinc/65/04/43/643650443.db2.gz	CSPITWPJYRQIPT-SECBINFHSA-N	-1	1	384.357	2.413	10	0		GEAEMM
C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](c2nc(C)cs2)C(F)(F)F)co1	ZINC000166904299	644279207	/nfs/dbraw/zinc/27/92/07/644279207.db2.gz	XDZOJEUCDAHIOC-VIFPVBQESA-N	-1	1	384.357	2.413	10	0		GEAEMM
Cc1noc([C@@H](C)N2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)n1	ZINC000154745839	531630684	/nfs/dbraw/zinc/63/06/84/531630684.db2.gz	HNPROCOGJNLRJY-SNVBAGLBSA-N	-1	1	395.257	2.365	10	0		GEAEMM
Cc1noc([C@H](C)N2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)n1	ZINC000154745951	531630919	/nfs/dbraw/zinc/63/09/19/531630919.db2.gz	HNPROCOGJNLRJY-JTQLQIEISA-N	-1	1	395.257	2.365	10	0		GEAEMM
Cc1c(C(=O)Nc2ccccc2)sc2[n-]c(CS(C)(=O)=O)nc(=O)c12	ZINC000193903757	532436279	/nfs/dbraw/zinc/43/62/79/532436279.db2.gz	OZASPVWXGZITLH-UHFFFAOYSA-N	-1	1	377.447	2.090	10	0		GEAEMM
CCc1nc(C2([N-]S(=O)(=O)c3cccc4nsnc43)CCCC2)no1	ZINC000194791368	532457930	/nfs/dbraw/zinc/45/79/30/532457930.db2.gz	OEMWYAZLHZZXKN-UHFFFAOYSA-N	-1	1	379.467	2.385	10	0		GEAEMM
Cn1cc([C@@H]2CCN(C(=O)c3cc(I)ccc3[O-])C2)cn1	ZINC000116466481	643464135	/nfs/dbraw/zinc/46/41/35/643464135.db2.gz	LJKLCEGJSKVTEI-SNVBAGLBSA-N	-1	1	397.216	2.360	10	0		GEAEMM
CCc1nnc([C@@H]2CN(C(=O)c3cc(Br)ccc3[O-])CCO2)[nH]1	ZINC000174644699	644378619	/nfs/dbraw/zinc/37/86/19/644378619.db2.gz	KIRCTMRHXYWGEG-LBPRGKRZSA-N	-1	1	381.230	2.049	10	0		GEAEMM
O=C([O-])c1ccc(CN2Cc3[nH]cnc3C[C@H]2C(=O)NC2CCCCC2)cc1	ZINC000015676274	221340515	/nfs/dbraw/zinc/34/05/15/221340515.db2.gz	UGOWHJWUWALXRR-IBGZPJMESA-N	-1	1	382.464	2.484	10	0		GEAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2Br)co1	ZINC000159287438	644185163	/nfs/dbraw/zinc/18/51/63/644185163.db2.gz	PTWDYQPRDDEHNV-SECBINFHSA-N	-1	1	387.255	2.441	10	0		GEAEMM
C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000185151775	645036964	/nfs/dbraw/zinc/03/69/64/645036964.db2.gz	ZEJABYIOPURBNC-VHSXEESVSA-N	-1	1	376.837	2.035	10	0		GEAEMM
Cc1cnn(C[C@H]2CN(C(=O)c3cc(Br)ccc3[O-])CCO2)c1	ZINC000112117851	531945225	/nfs/dbraw/zinc/94/52/25/531945225.db2.gz	QRELBPYVZFLFGG-CYBMUJFWSA-N	-1	1	380.242	2.201	10	0		GEAEMM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1(c2noc(C3CC3)n2)CCCC1	ZINC000177584517	532176854	/nfs/dbraw/zinc/17/68/54/532176854.db2.gz	NAXNNYVKXPZVCL-UHFFFAOYSA-N	-1	1	385.877	2.390	10	0		GEAEMM
CCOC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1C)c1ccc(Cl)cc1	ZINC000192990889	532414602	/nfs/dbraw/zinc/41/46/02/532414602.db2.gz	IOCVPUHOKXJDIT-AWEZNQCLSA-N	-1	1	385.873	2.273	10	0		GEAEMM
CC(C)c1nnc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)n1C	ZINC000195114085	532470104	/nfs/dbraw/zinc/47/01/04/532470104.db2.gz	MYLAJJJXVQYCMG-UHFFFAOYSA-N	-1	1	380.861	2.351	10	0		GEAEMM
CC(C)c1nnc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)n1C	ZINC000195114085	532470109	/nfs/dbraw/zinc/47/01/09/532470109.db2.gz	MYLAJJJXVQYCMG-UHFFFAOYSA-N	-1	1	380.861	2.351	10	0		GEAEMM
O=C([O-])C[N@@H+](CC1CC1)C1CC(NS(=O)(=O)c2sccc2Cl)C1	ZINC000263467593	532626786	/nfs/dbraw/zinc/62/67/86/532626786.db2.gz	GRWSVZDHTYATJA-UHFFFAOYSA-N	-1	1	378.903	2.007	10	0		GEAEMM
O=C([O-])C[N@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2sccc2Cl)C1	ZINC000263467593	532626790	/nfs/dbraw/zinc/62/67/90/532626790.db2.gz	GRWSVZDHTYATJA-UHFFFAOYSA-N	-1	1	378.903	2.007	10	0		GEAEMM
O=C([O-])C[N@@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2sccc2Cl)C1	ZINC000263467593	532626794	/nfs/dbraw/zinc/62/67/94/532626794.db2.gz	GRWSVZDHTYATJA-UHFFFAOYSA-N	-1	1	378.903	2.007	10	0		GEAEMM
CCN(CC)C(=O)c1nc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)oc1C	ZINC000065293905	222120750	/nfs/dbraw/zinc/12/07/50/222120750.db2.gz	UVQOMPSISRMMKB-UHFFFAOYSA-N	-1	1	387.408	2.222	10	0		GEAEMM
COc1ccc2nc([S@@](=O)Cc3ncc(C(=O)[O-])c(OC)c3C)[nH]c2c1	ZINC000031416466	570504613	/nfs/dbraw/zinc/50/46/13/570504613.db2.gz	QRGFNZYFRUUYBG-AREMUKBSSA-N	-1	1	375.406	2.290	10	0	in-vitro	GEAEMM
O=C([O-])c1ccc(F)cc1NS(=O)(=O)c1cncc(Br)c1	ZINC000044242938	642571308	/nfs/dbraw/zinc/57/13/08/642571308.db2.gz	WXADXPUMRBYTOW-UHFFFAOYSA-N	-1	1	375.175	2.482	10	0		GEAEMM
C[C@@H](NC(=O)c1cc(Br)ccc1[O-])c1ccc(S(N)(=O)=O)cc1	ZINC000120030442	643586917	/nfs/dbraw/zinc/58/69/17/643586917.db2.gz	PKSSBWGLXRHIBV-SECBINFHSA-N	-1	1	399.266	2.293	10	0		GEAEMM
CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C12CCOCC2	ZINC000185155926	645037531	/nfs/dbraw/zinc/03/75/31/645037531.db2.gz	XVYOSYXDTYPPMU-STQMWFEESA-N	-1	1	379.400	2.356	10	0		GEAEMM
CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cn[nH]c2-c2ccsc2)cc1	ZINC000187229599	645085914	/nfs/dbraw/zinc/08/59/14/645085914.db2.gz	PCRMQGKILLKEDZ-UHFFFAOYSA-N	-1	1	375.431	2.460	10	0		GEAEMM
Cc1cccc(C(=O)N2CCC[C@H]2c2nn[n-]n2)c1I	ZINC000720648011	651476293	/nfs/dbraw/zinc/47/62/93/651476293.db2.gz	GNNNMXOITANPEM-JTQLQIEISA-N	-1	1	383.193	2.090	10	0		GEAEMM