smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@@H]1[C@@H](O[C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O	ZINC000004095629	560193484	/nfs/dbraw/zinc/19/34/84/560193484.db2.gz	DLGJWSVWTWEWBJ-FRYALVSHSA-N	-1	0	379.318	-4.007	40	0	in-vitro	GAABRM
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000005274107	204123360	/nfs/dbraw/zinc/12/33/60/204123360.db2.gz	KDZIGQIDPXKMBA-AUTRQRHGSA-N	-1	0	390.393	-3.003	40	0		GAABRM
CC(=O)O[C@H]1[C@@H](C)O[C@@H](n2ncc(=O)[n-]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005385816	570436994	/nfs/dbraw/zinc/43/69/94/570436994.db2.gz	BCNBZVDVTAVRER-KOXBNBCLSA-N	-1	0	385.329	-1.356	40	0		GAABRM
CC(=O)O[C@@H]1[C@H](n2ncc(=O)[n-]c2=O)O[C@@H](C)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000005385817	570436912	/nfs/dbraw/zinc/43/69/12/570436912.db2.gz	BCNBZVDVTAVRER-SCSNWIRCSA-N	-1	0	385.329	-1.356	40	0		GAABRM
CC(=O)O[C@@H]1[C@@H](C)O[C@@H](n2ncc(=O)[n-]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005385819	570436773	/nfs/dbraw/zinc/43/67/73/570436773.db2.gz	BCNBZVDVTAVRER-OAIQDXLASA-N	-1	0	385.329	-1.356	40	0		GAABRM
CC(=O)O[C@@H]1[C@H](C)O[C@@H](n2ncc(=O)[n-]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005385820	570436937	/nfs/dbraw/zinc/43/69/37/570436937.db2.gz	BCNBZVDVTAVRER-LSGQWTDKSA-N	-1	0	385.329	-1.356	40	0		GAABRM
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Br)c(=O)[n-]1	ZINC000005544901	209601837	/nfs/dbraw/zinc/60/18/37/209601837.db2.gz	KJDPOGUTOZJGGF-DALOQIEPSA-N	-1	0	382.167	-2.247	40	0		GAABRM
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Br)c(=O)[n-]1	ZINC000005544903	530072343	/nfs/dbraw/zinc/07/23/43/530072343.db2.gz	KJDPOGUTOZJGGF-NUPWSADLSA-N	-1	0	382.167	-2.247	40	0		GAABRM
O=NN(C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000005812410	570457931	/nfs/dbraw/zinc/45/79/31/570457931.db2.gz	SRNPMGDQUWLAEO-ZAPJKBGESA-N	-1	0	395.368	-1.052	40	0		GAABRM
O=NN(C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000005812414	570457995	/nfs/dbraw/zinc/45/79/95/570457995.db2.gz	SRNPMGDQUWLAEO-DRXUAVOGSA-N	-1	0	395.368	-1.052	40	0		GAABRM
O=NN(C[C@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000005812416	570458000	/nfs/dbraw/zinc/45/80/00/570458000.db2.gz	SRNPMGDQUWLAEO-GHYKFQNRSA-N	-1	0	395.368	-1.052	40	0		GAABRM
O=NN(C[C@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000005812417	220900214	/nfs/dbraw/zinc/90/02/14/220900214.db2.gz	SRNPMGDQUWLAEO-IETPZCKNSA-N	-1	0	395.368	-1.052	40	0		GAABRM
C[C@@H]1[C@@H](O)C[C@@H]2C(C(=O)[O-])=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	ZINC000006031801	204161500	/nfs/dbraw/zinc/16/15/00/204161500.db2.gz	JNNGEAWILNVFFD-OZFVSFPVSA-N	-1	0	376.358	-2.239	40	0	biogenic,in-vitro	GAABRM
CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@@H](C(=O)NCC(=O)NCC(=O)[O-])[C@@H]2O1	ZINC000006232624	570669007	/nfs/dbraw/zinc/66/90/07/570669007.db2.gz	QCBKOFMARPFBBC-SKENRDBWSA-N	-1	0	388.373	-1.300	40	0		GAABRM
CC1(C)O[C@@H]2[C@@H]3OC(C)(C)O[C@@H]3[C@H](C(=O)NCC(=O)NCC(=O)[O-])O[C@H]2O1	ZINC000006232649	570668966	/nfs/dbraw/zinc/66/89/66/570668966.db2.gz	QCBKOFMARPFBBC-KSFQGOMNSA-N	-1	0	388.373	-1.300	40	0		GAABRM
CC1(C)O[C@H]2[C@H](O1)O[C@@H](C(=O)NCC(=O)NCC(=O)[O-])[C@@H]1OC(C)(C)O[C@H]21	ZINC000006232666	570668930	/nfs/dbraw/zinc/66/89/30/570668930.db2.gz	QCBKOFMARPFBBC-OJROKELRSA-N	-1	0	388.373	-1.300	40	0		GAABRM
CC1(C)O[C@H]2[C@H](O1)O[C@@H](C(=O)NCC(=O)NCC(=O)[O-])[C@H]1OC(C)(C)O[C@H]21	ZINC000006232683	570668933	/nfs/dbraw/zinc/66/89/33/570668933.db2.gz	QCBKOFMARPFBBC-ROEYZRMQSA-N	-1	0	388.373	-1.300	40	0		GAABRM
O=c1[n-]c(=O)c(Sc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)n[nH]1	ZINC000006447031	220934798	/nfs/dbraw/zinc/93/47/98/220934798.db2.gz	VDVPCPQPPNLUPC-JZLPGKTESA-N	-1	0	395.357	-2.639	40	0		GAABRM
O=c1[n-]c(=O)c(Sc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)n[nH]1	ZINC000006447033	570914260	/nfs/dbraw/zinc/91/42/60/570914260.db2.gz	VDVPCPQPPNLUPC-UZOXGPSZSA-N	-1	0	395.357	-2.639	40	0		GAABRM
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Br)c(=O)[n-]1	ZINC000008652676	204281677	/nfs/dbraw/zinc/28/16/77/204281677.db2.gz	KJDPOGUTOZJGGF-AVIDFEGHSA-N	-1	0	382.167	-1.835	40	0		GAABRM
CC1(C)O[C@@H]2[C@H](O1)[C@@H]1OC(C)(C)O[C@@H]1O[C@@H]2C(=O)NCC(=O)NCC(=O)[O-]	ZINC000013451894	221269154	/nfs/dbraw/zinc/26/91/54/221269154.db2.gz	QCBKOFMARPFBBC-FGPLHTHASA-N	-1	0	388.373	-1.300	40	0		GAABRM
COc1cc(/C=C\C(=O)[O-])cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000013517971	291091239	/nfs/dbraw/zinc/09/12/39/291091239.db2.gz	KKLWTTVTWMTNBP-GMNAELBISA-N	-1	0	386.353	-1.020	40	0	biogenic,in-vitro	GAABRM
O=C([O-])CC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-]	ZINC000015721965	207055872	/nfs/dbraw/zinc/05/58/72/207055872.db2.gz	AJCRQOHDLCBHFA-SRVKXCTJSA-N	-1	0	381.389	-1.377	40	0		GAABRM
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@H]1O	ZINC000016051768	570913241	/nfs/dbraw/zinc/91/32/41/570913241.db2.gz	DLGJWSVWTWEWBJ-MUODBDBBSA-N	-1	0	379.318	-4.007	40	0	in-vitro	GAABRM
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Br)c(=O)[n-]1	ZINC000017175376	207086487	/nfs/dbraw/zinc/08/64/87/207086487.db2.gz	KJDPOGUTOZJGGF-IRPHGTLLSA-N	-1	0	382.167	-1.835	40	0		GAABRM
C[C@@H]1[C@@H](O)C[C@@H]2C(C(=O)[O-])=CO[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	ZINC000021992897	207245449	/nfs/dbraw/zinc/24/54/49/207245449.db2.gz	JNNGEAWILNVFFD-YUNZMENISA-N	-1	0	376.358	-2.239	40	0		GAABRM
CC(=O)c1c(=O)cc(C)oc1N[N-]S(=O)(=O)c1nn(C)c(=O)n(C)c1=O	ZINC000027526319	206015083	/nfs/dbraw/zinc/01/50/83/206015083.db2.gz	FMPQFIMQZJJJTR-UHFFFAOYSA-N	-1	0	385.358	-1.751	40	0		GAABRM
C[C@]1(O)CC[C@@H]2C(C(=O)[O-])=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21	ZINC000028538287	211893562	/nfs/dbraw/zinc/89/35/62/211893562.db2.gz	VLCHQFXSBHIBRV-NJPMDSMTSA-N	-1	0	376.358	-2.095	40	0	biogenic,in-vitro	GAABRM
O=C([O-])Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12	ZINC000031544231	210562943	/nfs/dbraw/zinc/56/29/43/210562943.db2.gz	QFIOCPUZLBGHSQ-RDZAWVCESA-N	-1	0	382.321	-1.401	40	0		GAABRM
O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(I)c1F	ZINC000035322604	204168832	/nfs/dbraw/zinc/16/88/32/204168832.db2.gz	ATXHATZRJXXACM-UMMCILCDSA-N	-1	0	388.089	-2.108	40	0		GAABRM
C[C@H]1[C@@H](O)C[C@@H]2C(C(=O)[O-])=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	ZINC000036383811	230924992	/nfs/dbraw/zinc/92/49/92/230924992.db2.gz	JNNGEAWILNVFFD-BLOBKFCASA-N	-1	0	376.358	-2.239	40	0		GAABRM
CCC[C@@](C)(COC(N)=O)COC(=O)N[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077302158	222277253	/nfs/dbraw/zinc/27/72/53/222277253.db2.gz	JJNJNGDGGZSOLF-LRZAEFKCSA-N	-1	0	394.377	-1.494	40	0	in-vitro	GAABRM
CCC[C@](C)(COC(N)=O)COC(=O)N[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077302159	222278277	/nfs/dbraw/zinc/27/82/77/222278277.db2.gz	JJNJNGDGGZSOLF-PHMFMRBISA-N	-1	0	394.377	-1.494	40	0	in-vitro	GAABRM
N=c1cc(N2CCCCC2)nc(N)n1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077311413	136171902	/nfs/dbraw/zinc/17/19/02/136171902.db2.gz	LROBBFGRUDJFDG-HNRZYHPDSA-O	-1	0	386.385	-3.155	40	0		GAABRM
CO[C@H]1C[C@@H]2C(C(=O)[O-])=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@H]1C	ZINC000085341114	1074774836	/nfs/dbraw/zinc/77/48/36/1074774836.db2.gz	FWJCZHAURSWXBH-UOUCRYGSSA-N	-1	0	390.385	-1.585	40	0	biogenic,in-vitro	GAABRM
N=c1cc(N2CCCCC2)nc(N)n1O[C@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000095868195	1074758373	/nfs/dbraw/zinc/75/83/73/1074758373.db2.gz	LROBBFGRUDJFDG-BYNIDDHOSA-O	-1	0	386.385	-3.155	40	0		GAABRM
CC(=O)N[C@@H]1[C@@H](O[C@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O	ZINC000095868320	205504858	/nfs/dbraw/zinc/50/48/58/205504858.db2.gz	DLGJWSVWTWEWBJ-GVRSJKECSA-N	-1	0	379.318	-4.007	40	0		GAABRM
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@H]1OC(C(=O)[O-])=C[C@H](O)[C@H]1O	ZINC000095868321	222361361	/nfs/dbraw/zinc/36/13/61/222361361.db2.gz	DLGJWSVWTWEWBJ-PTIWMSMWSA-N	-1	0	379.318	-4.007	40	0		GAABRM
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]([NH3+])C[C@@H]1NC(=N)C(=O)[O-]	ZINC000100045947	570251478	/nfs/dbraw/zinc/25/14/78/570251478.db2.gz	PVTHJAPFENJVNC-AIPKCJGJSA-N	-1	0	379.366	-4.328	40	0	in-vitro	GAABRM
N=c1nc(N2CCCCC2)cc(N)n1O[C@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000100055650	136189025	/nfs/dbraw/zinc/18/90/25/136189025.db2.gz	WJHSTCUDHNONOO-BYNIDDHOSA-N	-1	0	385.377	-2.744	40	0		GAABRM
N=c1nc(N2CCCCC2)cc(N)n1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000100055655	136188976	/nfs/dbraw/zinc/18/89/76/136188976.db2.gz	WJHSTCUDHNONOO-HNRZYHPDSA-N	-1	0	385.377	-2.744	40	0		GAABRM
CC(=O)Nc1c(O)nc(SCC(=O)Nc2ccccc2C(N)=O)[n-]c1=O	ZINC000104611012	570303086	/nfs/dbraw/zinc/30/30/86/570303086.db2.gz	BAZMCDIQGXZOKY-UHFFFAOYSA-N	-1	0	377.382	-1.026	40	0		GAABRM
O=c1[n-]c(=O)c(Sc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)n[nH]1	ZINC000226929741	1074836878	/nfs/dbraw/zinc/83/68/78/1074836878.db2.gz	VDVPCPQPPNLUPC-FNTXIUPBSA-N	-1	0	395.357	-2.639	40	0		GAABRM
O=c1[n-]c(=O)c(Sc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)n[nH]1	ZINC000226929756	1074836887	/nfs/dbraw/zinc/83/68/87/1074836887.db2.gz	VDVPCPQPPNLUPC-WKQLFWEXSA-N	-1	0	395.357	-2.639	40	0		GAABRM
CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@H](C(=O)NCC(=O)NCC(=O)[O-])[C@@H]2O1	ZINC000245232177	1074862328	/nfs/dbraw/zinc/86/23/28/1074862328.db2.gz	QCBKOFMARPFBBC-DIACKHNESA-N	-1	0	388.373	-1.300	40	0		GAABRM
CC1(C)O[C@@H]2[C@@H](O1)[C@@H](C(=O)NCC(=O)NCC(=O)[O-])O[C@H]1OC(C)(C)O[C@@H]21	ZINC000245232178	1074862316	/nfs/dbraw/zinc/86/23/16/1074862316.db2.gz	QCBKOFMARPFBBC-JLDUMIBSSA-N	-1	0	388.373	-1.300	40	0		GAABRM
CC1(C)O[C@H]2[C@H](O1)O[C@H](C(=O)NCC(=O)NCC(=O)[O-])[C@@H]1OC(C)(C)O[C@H]21	ZINC000245232179	520612521	/nfs/dbraw/zinc/61/25/21/520612521.db2.gz	QCBKOFMARPFBBC-LARJDALCSA-N	-1	0	388.373	-1.300	40	0		GAABRM
NC(=O)c1ccc2ccn(C[C@@]3(O)CN(C(=O)COCC(=O)[O-])C[C@@H]3O)c2n1	ZINC000257224407	212007454	/nfs/dbraw/zinc/00/74/54/212007454.db2.gz	FBSBPVFDIBHHHW-YVEFUNNKSA-N	-1	0	392.368	-1.829	40	0		GAABRM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N2CCC(C(=O)[O-])CC2)[C@@H](O)[C@H]1O	ZINC000257235362	212008596	/nfs/dbraw/zinc/00/85/96/212008596.db2.gz	GXNAKJZCPCRQBU-BQVMBELUSA-N	-1	0	392.372	-1.649	40	0		GAABRM
C[C@H](NC(=O)[C@H]1N2C(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2SC1(C)C)C(=O)[O-]	ZINC000257246329	222763273	/nfs/dbraw/zinc/76/32/73/222763273.db2.gz	ITPOIRYQDZPYQJ-GHJZCPMDSA-N	-1	0	378.403	-2.918	40	0		GAABRM
CC(C)[C@H](NC(=O)[C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12)C(=O)[O-]	ZINC000257303179	212020001	/nfs/dbraw/zinc/02/00/01/212020001.db2.gz	SGCQGQPJLNSSAR-XJCZFWRVSA-N	-1	0	378.403	-3.061	40	0		GAABRM
Cn1c2c(ncn2[C@@H]2CN(C(=O)CCCC(=O)[O-])C[C@H]2O)c(=O)n(C)c1=O	ZINC000257326812	212026430	/nfs/dbraw/zinc/02/64/30/212026430.db2.gz	WYSFKVXIEPGPPT-NXEZZACHSA-N	-1	0	379.373	-1.567	40	0		GAABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575425941	530103220	/nfs/dbraw/zinc/10/32/20/530103220.db2.gz	JMQCDOYAULJZOG-NEPJUHHUSA-N	-1	0	379.412	-1.072	40	0		GAABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])[C@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575425942	530103175	/nfs/dbraw/zinc/10/31/75/530103175.db2.gz	JMQCDOYAULJZOG-NWDGAFQWSA-N	-1	0	379.412	-1.072	40	0		GAABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575425943	530103344	/nfs/dbraw/zinc/10/33/44/530103344.db2.gz	JMQCDOYAULJZOG-RYUDHWBXSA-N	-1	0	379.412	-1.072	40	0		GAABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575425944	530103248	/nfs/dbraw/zinc/10/32/48/530103248.db2.gz	JMQCDOYAULJZOG-VXGBXAGGSA-N	-1	0	379.412	-1.072	40	0		GAABRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCO)[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575426171	530103381	/nfs/dbraw/zinc/10/33/81/530103381.db2.gz	NTVDPIDAVAWQHR-NEPJUHHUSA-N	-1	0	393.439	-1.166	40	0		GAABRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCO)[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000575426172	530103240	/nfs/dbraw/zinc/10/32/40/530103240.db2.gz	NTVDPIDAVAWQHR-NWDGAFQWSA-N	-1	0	393.439	-1.166	40	0		GAABRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCO)[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575426173	530103392	/nfs/dbraw/zinc/10/33/92/530103392.db2.gz	NTVDPIDAVAWQHR-RYUDHWBXSA-N	-1	0	393.439	-1.166	40	0		GAABRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCO)[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000575426174	530103370	/nfs/dbraw/zinc/10/33/70/530103370.db2.gz	NTVDPIDAVAWQHR-VXGBXAGGSA-N	-1	0	393.439	-1.166	40	0		GAABRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCN[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575426370	530103269	/nfs/dbraw/zinc/10/32/69/530103269.db2.gz	SBRWRKKPWPUDHG-NEPJUHHUSA-N	-1	0	392.455	-1.281	40	0		GAABRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCN[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000575426371	530103261	/nfs/dbraw/zinc/10/32/61/530103261.db2.gz	SBRWRKKPWPUDHG-NWDGAFQWSA-N	-1	0	392.455	-1.281	40	0		GAABRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCN[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575426372	530103334	/nfs/dbraw/zinc/10/33/34/530103334.db2.gz	SBRWRKKPWPUDHG-RYUDHWBXSA-N	-1	0	392.455	-1.281	40	0		GAABRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCN[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000575426373	530103376	/nfs/dbraw/zinc/10/33/76/530103376.db2.gz	SBRWRKKPWPUDHG-VXGBXAGGSA-N	-1	0	392.455	-1.281	40	0		GAABRM