smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(-c2csc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)n2)cn1	ZINC000833041926	600984708	/nfs/dbraw/zinc/98/47/08/600984708.db2.gz	YYCAYZGJOAHXNO-UHFFFAOYSA-N	-2	0	368.400	0.626	20	10		FCCDRL
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cn1	ZINC000757658149	667731270	/nfs/dbraw/zinc/73/12/70/667731270.db2.gz	XBQHAXBTGBGTFP-UHFFFAOYSA-N	-2	0	355.328	0.261	20	10		FCCDRL
CC1=c2c(nc(C(Cl)=Cc3cnnn3C)[n-]c2=O)=S=C1C(=O)[O-]	ZINC000832853114	601208368	/nfs/dbraw/zinc/20/83/68/601208368.db2.gz	RYKZWGAGTNCTIX-XVNBXDOJSA-N	-2	0	351.775	0.473	20	10		FCCDRL
Cn1cnc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)c1	ZINC000728014781	665118206	/nfs/dbraw/zinc/11/82/06/665118206.db2.gz	GBKHDNCWRHIXEU-UHFFFAOYSA-N	-2	0	374.400	0.291	20	10		FCCDRL
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccnc2)cc1C(=O)[O-]	ZINC000776505692	668267155	/nfs/dbraw/zinc/26/71/55/668267155.db2.gz	LSOVSUMSHVKLET-UHFFFAOYSA-N	-2	0	371.396	0.952	20	10		FCCDRL
O=C([O-])C[C@@H](O)C(=O)Oc1cc(O)ccc1C(=O)c1ccc(O)c(O)c1	ZINC001231341638	1226104924	/nfs/dbraw/zinc/10/49/24/1226104924.db2.gz	OUUXUYTWYSNUGX-CYBMUJFWSA-N	-3	0	362.290	0.775	20	10		FCCDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)ccc1O	ZINC000823387733	606866963	/nfs/dbraw/zinc/86/69/63/606866963.db2.gz	WGGPUWUMBMLDRI-UHFFFAOYSA-N	-2	0	362.327	0.466	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2c(C)noc2C)ccc1[O-]	ZINC000790407974	668876322	/nfs/dbraw/zinc/87/63/22/668876322.db2.gz	VGKUOXJFKRQSFE-UHFFFAOYSA-N	-2	0	361.401	0.706	20	10		FCCDRL
Cn1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)n1	ZINC000728014910	675474173	/nfs/dbraw/zinc/47/41/73/675474173.db2.gz	JYSGYMQZFYREJY-UHFFFAOYSA-N	-2	0	374.400	0.291	20	10		FCCDRL
CN(C)C(=O)c1cc(C(=O)[O-])nc2c1-c1[nH]c(C(=O)[O-])cc1C(=O)C2=O	ZINC001152229766	1222944066	/nfs/dbraw/zinc/94/40/66/1222944066.db2.gz	VWGXUKNJJAGVSA-UHFFFAOYSA-N	-2	0	357.278	0.554	20	10		FCCDRL
CCN(C)C(=O)c1cc(C(=O)[O-])nc2c1-c1[nH]c(C(=O)[O-])cc1C(=O)C2=O	ZINC001152228733	1222944387	/nfs/dbraw/zinc/94/43/87/1222944387.db2.gz	AXIGQQPXGGFSJU-UHFFFAOYSA-N	-2	0	371.305	0.944	20	10		FCCDRL
Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1C(=O)[O-]	ZINC000738829294	600231104	/nfs/dbraw/zinc/23/11/04/600231104.db2.gz	PRMGDKVODMZQPK-UHFFFAOYSA-N	-2	0	374.400	0.589	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cnc(C)n2C)ccc1[O-]	ZINC000863408218	672122167	/nfs/dbraw/zinc/12/21/67/672122167.db2.gz	XQCRBDOOUCPKOV-UHFFFAOYSA-N	-2	0	360.417	0.143	20	10		FCCDRL
O=C([O-])C[C@H](O)C(=O)Oc1ccc2c(c1)C(=O)c1ccc([O-])cc1C2=O	ZINC001229192900	1225987734	/nfs/dbraw/zinc/98/77/34/1225987734.db2.gz	XIRYZIYIDJWQST-AWEZNQCLSA-N	-2	0	356.286	0.909	20	10		FCCDRL
CCn1nncc1C=C(Cl)c1nc2c(c(=O)[n-]1)=C(C)C(C(=O)[O-])=S=2	ZINC001605946721	1288107516	/nfs/dbraw/zinc/10/75/16/1288107516.db2.gz	BSMKKOVVEAHGRS-XBXARRHUSA-N	-2	0	365.802	0.956	20	10		FCCDRL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cn1	ZINC000794597541	668985741	/nfs/dbraw/zinc/98/57/41/668985741.db2.gz	ZZXFXHFWUXRVDB-UHFFFAOYSA-N	-2	0	373.368	0.900	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cncc(OC)c2)ccc1[O-]	ZINC000799123755	669282670	/nfs/dbraw/zinc/28/26/70/669282670.db2.gz	GJGCMDILBMMJME-UHFFFAOYSA-N	-2	0	373.412	0.505	20	10		FCCDRL
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001602056895	1286913323	/nfs/dbraw/zinc/91/33/23/1286913323.db2.gz	ASLSQROXNJVQTK-UHFFFAOYSA-N	-2	0	356.722	0.162	20	10		FCCDRL
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c1	ZINC001599761188	992124318	/nfs/dbraw/zinc/12/43/18/992124318.db2.gz	QGVOMAKCJWLGDJ-JTQLQIEISA-N	-2	0	358.372	0.079	20	10		FCCDRL
NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775286437	668207747	/nfs/dbraw/zinc/20/77/47/668207747.db2.gz	ROUAVBGPJCIXJV-UHFFFAOYSA-N	-2	0	373.368	0.749	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cn(C(C)C)cn2)ccc1[O-]	ZINC000790407746	668876358	/nfs/dbraw/zinc/87/63/58/668876358.db2.gz	PHHFJUCINHJXCY-UHFFFAOYSA-N	-2	0	374.444	0.879	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C)nc2)ccc1[O-]	ZINC000795354162	669028437	/nfs/dbraw/zinc/02/84/37/669028437.db2.gz	QJQHVXOHUAQPIH-UHFFFAOYSA-N	-2	0	357.413	0.805	20	10		FCCDRL
N#CNC(=O)c1cc(C(=O)[O-])nc2c1-c1[nH]c(C(=O)[O-])cc1C(=O)C2=O	ZINC001152236800	1222944892	/nfs/dbraw/zinc/94/48/92/1222944892.db2.gz	YLEZTJPWFKAHQE-UHFFFAOYSA-N	-2	0	354.234	0.063	20	10		FCCDRL
O=C(OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1=CC(=O)CS1	ZINC001609575972	1289235802	/nfs/dbraw/zinc/23/58/02/1289235802.db2.gz	RUTSVDLONKRSJZ-UHFFFAOYSA-N	-2	0	359.327	0.739	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)ccc1[O-]	ZINC000790405301	668876333	/nfs/dbraw/zinc/87/63/33/668876333.db2.gz	IUTWISRUKIMCEW-UHFFFAOYSA-N	-2	0	374.444	0.879	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)ccc1[O-]	ZINC000790407763	668876369	/nfs/dbraw/zinc/87/63/69/668876369.db2.gz	PQOBTHDFCFWTRF-UHFFFAOYSA-N	-2	0	374.444	0.948	20	10		FCCDRL
O=C([O-])C[C@H](O)C(=O)Oc1cccc2c1C(=O)c1c(O)cccc1C2=O	ZINC001226380537	1225841814	/nfs/dbraw/zinc/84/18/14/1225841814.db2.gz	XPIPAXJJJCHBFJ-NSHDSACASA-N	-2	0	356.286	0.909	20	10		FCCDRL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000757656960	667731302	/nfs/dbraw/zinc/73/13/02/667731302.db2.gz	QQZKMADMXLKGLM-UHFFFAOYSA-N	-2	0	355.328	0.709	20	10		FCCDRL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cn1	ZINC000794906254	669001130	/nfs/dbraw/zinc/00/11/30/669001130.db2.gz	BQGWUSCNXHHJLY-UHFFFAOYSA-N	-2	0	372.380	0.690	20	10		FCCDRL
Cn1nccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)c(C(=O)[O-])c1	ZINC000728015267	675473895	/nfs/dbraw/zinc/47/38/95/675473895.db2.gz	OJGNTQHZOFYHKZ-UHFFFAOYSA-N	-2	0	374.400	0.291	20	10		FCCDRL
COC(=O)c1sc(C(=O)OC)c(OC(=O)[C@H](O)CCC(=O)[O-])c1[O-]	ZINC001227619945	857168366	/nfs/dbraw/zinc/16/83/66/857168366.db2.gz	AJXJKAIPEUOUDU-RXMQYKEDSA-N	-2	0	362.312	0.158	20	10		FCCDRL
C[C@H](O)C(=O)Oc1c([O-])cc2c(=O)oc3c(O)c([O-])cc4c(=O)oc1c2c43	ZINC001227574767	1225878687	/nfs/dbraw/zinc/87/86/87/1225878687.db2.gz	MKXPJXOUJDHDCF-BYPYZUCNSA-N	-2	0	374.257	0.893	20	10		FCCDRL
O=C([O-])Cn1cc(/C=C/c2nc3ccccc3c(=O)n2CC(=O)[O-])nn1	ZINC000677549457	493607773	/nfs/dbraw/zinc/60/77/73/493607773.db2.gz	UXZWWRXCYHYFKO-AATRIKPKSA-N	-2	0	355.310	0.328	20	10		FCCDRL
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000751185946	836471045	/nfs/dbraw/zinc/47/10/45/836471045.db2.gz	FWAIPFVYELKHEB-UHFFFAOYSA-N	-2	0	355.328	0.791	20	10		FCCDRL
NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000757653760	667731412	/nfs/dbraw/zinc/73/14/12/667731412.db2.gz	BFLGCUCBMVTRTH-UHFFFAOYSA-N	-2	0	372.380	0.539	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cnc(C)s2)ccc1[O-]	ZINC000790407788	668876314	/nfs/dbraw/zinc/87/63/14/668876314.db2.gz	QSWWBCKBMALWTK-UHFFFAOYSA-N	-2	0	363.442	0.866	20	10		FCCDRL
O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)on1	ZINC001608861543	1288877301	/nfs/dbraw/zinc/87/73/01/1288877301.db2.gz	YTUFOZTVZODDKK-UHFFFAOYSA-N	-2	0	367.383	0.688	20	10		FCCDRL
O=C([O-])Cn1cc(/C=C\c2nc3ccccc3c(=O)n2CC(=O)[O-])nn1	ZINC000677549458	493608060	/nfs/dbraw/zinc/60/80/60/493608060.db2.gz	UXZWWRXCYHYFKO-WAYWQWQTSA-N	-2	0	355.310	0.328	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2c(C)n[nH]c2C)ccc1[O-]	ZINC000790408582	668876515	/nfs/dbraw/zinc/87/65/15/668876515.db2.gz	ZIBLHAWOKGJGIO-UHFFFAOYSA-N	-2	0	360.417	0.441	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cnn(C)c2C)ccc1[O-]	ZINC000793431283	668928222	/nfs/dbraw/zinc/92/82/22/668928222.db2.gz	YOBRSKSYEOJOMM-UHFFFAOYSA-N	-2	0	360.417	0.143	20	10		FCCDRL
Cn1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)cn1	ZINC000728014501	675474220	/nfs/dbraw/zinc/47/42/20/675474220.db2.gz	BRIOSVAXMJTBSU-UHFFFAOYSA-N	-2	0	374.400	0.291	20	10		FCCDRL
CCCC(=O)c1cc(O)c(O)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001233495891	857386099	/nfs/dbraw/zinc/38/60/99/857386099.db2.gz	NHOASNUUWRNZQF-LLVKDONJSA-N	-2	0	364.243	0.456	20	10		FCCDRL
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cn1	ZINC000775286000	668207776	/nfs/dbraw/zinc/20/77/76/668207776.db2.gz	IRJCHQJZATYGPE-UHFFFAOYSA-N	-2	0	356.316	0.471	20	10		FCCDRL
CCCC(=O)c1cc(O)c(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001233495412	1259552327	/nfs/dbraw/zinc/55/23/27/1259552327.db2.gz	FZCOYBMFJHZIBQ-CLAHSXSESA-N	-2	0	370.310	0.522	20	10		FCCDRL
N=C(NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)SCCS(=O)(=O)[O-]	ZINC001147889987	849596352	/nfs/dbraw/zinc/59/63/52/849596352.db2.gz	VURYLSXGSPJXQC-UHFFFAOYSA-N	-2	0	370.412	0.451	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2c(C)nn(C)c2C)ccc1[O-]	ZINC000790407579	668876393	/nfs/dbraw/zinc/87/63/93/668876393.db2.gz	OBQQURWWEVMDLR-UHFFFAOYSA-N	-2	0	374.444	0.451	20	10		FCCDRL
O=C([O-])C[C@@H](O)C(=O)Oc1cccc2c1C(=O)c1c(O)cccc1C2=O	ZINC001226380535	1225841999	/nfs/dbraw/zinc/84/19/99/1225841999.db2.gz	XPIPAXJJJCHBFJ-LLVKDONJSA-N	-2	0	356.286	0.909	20	10		FCCDRL
O=C([O-])C[C@H](O)C(=O)Oc1cc(O)ccc1C(=O)c1ccc(O)c(O)c1	ZINC001231341642	1226104737	/nfs/dbraw/zinc/10/47/37/1226104737.db2.gz	OUUXUYTWYSNUGX-ZDUSSCGKSA-N	-3	0	362.290	0.775	20	10		FCCDRL
N=CNC(=O)c1cc(C(=O)[O-])nc2c1-c1[nH]c(C(=O)[O-])cc1C(=O)C2=O	ZINC001152235798	1222944586	/nfs/dbraw/zinc/94/45/86/1222944586.db2.gz	IBTCKQMFVPSWLI-UHFFFAOYSA-N	-2	0	356.250	0.189	20	10		FCCDRL
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1	ZINC001610376643	1289475077	/nfs/dbraw/zinc/47/50/77/1289475077.db2.gz	UQMVOQBQSSMSAB-UHFFFAOYSA-N	-2	0	371.396	0.952	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)nc2)ccc1[O-]	ZINC000795351194	669028326	/nfs/dbraw/zinc/02/83/26/669028326.db2.gz	AGQPDTJTLDXUJJ-UHFFFAOYSA-N	-2	0	373.412	0.505	20	10		FCCDRL
O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000799924862	669324434	/nfs/dbraw/zinc/32/44/34/669324434.db2.gz	YSPAIAWQZYADJS-UHFFFAOYSA-N	-2	0	359.327	0.705	20	10		FCCDRL
O=C([O-])C[C@@H](O)C(=O)Oc1ccc2c(c1)C(=O)c1ccc([O-])cc1C2=O	ZINC001229192901	1225987197	/nfs/dbraw/zinc/98/71/97/1225987197.db2.gz	XIRYZIYIDJWQST-CQSZACIVSA-N	-2	0	356.286	0.909	20	10		FCCDRL
CCCC(=O)c1cc(O)c(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001233495419	1259552834	/nfs/dbraw/zinc/55/28/34/1259552834.db2.gz	FZCOYBMFJHZIBQ-RMLUDKJBSA-N	-2	0	370.310	0.522	20	10		FCCDRL
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1	ZINC001609302629	1289077502	/nfs/dbraw/zinc/07/75/02/1289077502.db2.gz	ZXRFXMMVZOFXGZ-UHFFFAOYSA-N	-2	0	365.327	0.753	20	10		FCCDRL
CCCC(=O)c1cc(O)c(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001233495421	1259552454	/nfs/dbraw/zinc/55/24/54/1259552454.db2.gz	FZCOYBMFJHZIBQ-RTHLEPHNSA-N	-2	0	370.310	0.522	20	10		FCCDRL
CNS(=O)(=O)c1cc(NS(=O)(=O)CC(C)(C)C(=O)[O-])ccc1[O-]	ZINC001598674981	994826126	/nfs/dbraw/zinc/82/61/26/994826126.db2.gz	WKWWZUYHAPQFFY-UHFFFAOYSA-N	-2	0	366.417	0.153	20	10		FCCDRL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cn1	ZINC000794589109	668984617	/nfs/dbraw/zinc/98/46/17/668984617.db2.gz	JDIZOERDXNLCNO-UHFFFAOYSA-N	-2	0	372.380	0.690	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cn(C)nc2C)ccc1[O-]	ZINC000808110504	669540749	/nfs/dbraw/zinc/54/07/49/669540749.db2.gz	QWMWBFFIJGXPPH-UHFFFAOYSA-N	-2	0	360.417	0.143	20	10		FCCDRL
Cc1nc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)c[nH]1	ZINC000728014482	675474201	/nfs/dbraw/zinc/47/42/01/675474201.db2.gz	BBEOBNRLXXDQRC-UHFFFAOYSA-N	-2	0	374.400	0.589	20	10		FCCDRL
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001598950185	998135941	/nfs/dbraw/zinc/13/59/41/998135941.db2.gz	NMMXHCOWZOAQLG-UHFFFAOYSA-N	-2	0	355.328	0.261	20	10		FCCDRL
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1	ZINC000325108579	600673281	/nfs/dbraw/zinc/67/32/81/600673281.db2.gz	BYPCAZCUXYNZIH-UHFFFAOYSA-N	-2	0	374.400	0.140	20	10		FCCDRL
O=C([O-])Cn1cc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)nn1	ZINC000533951524	490303239	/nfs/dbraw/zinc/30/32/39/490303239.db2.gz	GPCKFUWICNUBTP-UITAMQMPSA-N	-2	0	367.321	0.715	20	10		FCCDRL
C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@@H](C(=O)[O-])O1	ZINC001607475102	1288716291	/nfs/dbraw/zinc/71/62/91/1288716291.db2.gz	RXVJKKGFLADTDZ-UFBFGSQYSA-N	-2	0	358.372	0.078	20	10		FCCDRL
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cn1C	ZINC000775286580	668208333	/nfs/dbraw/zinc/20/83/33/668208333.db2.gz	YOFLOLYAPKCHBY-UHFFFAOYSA-N	-2	0	354.344	0.799	20	10		FCCDRL
CCn1cc(S(=O)(=O)[N-]c2ccc([O-])c(S(=O)(=O)NC)c2)nc1C	ZINC000790406818	668876344	/nfs/dbraw/zinc/87/63/44/668876344.db2.gz	HXNHIZZWJQTODX-UHFFFAOYSA-N	-2	0	374.444	0.626	20	10		FCCDRL
Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)c(C(=O)[O-])c1	ZINC000732045968	675540157	/nfs/dbraw/zinc/54/01/57/675540157.db2.gz	PZHKAROEDSTJNR-UHFFFAOYSA-N	-2	0	374.400	0.589	20	10		FCCDRL
Cn1c(=O)c(-c2nnn[n-]2)c(NCc2cccc(Cl)c2[O-])n(C)c1=O	ZINC001592555651	1285466851	/nfs/dbraw/zinc/46/68/51/1285466851.db2.gz	OZNYUZYFGBWOGW-UHFFFAOYSA-N	-2	0	363.765	0.235	20	10		FCCDRL
CCn1cc(S(=O)(=O)[N-]c2ccc([O-])c(S(=O)(=O)NC)c2)cn1	ZINC000790405717	668876354	/nfs/dbraw/zinc/87/63/54/668876354.db2.gz	LTAKQRXCQMDGKW-UHFFFAOYSA-N	-2	0	360.417	0.318	20	10		FCCDRL
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cn1	ZINC000776433253	668261330	/nfs/dbraw/zinc/26/13/30/668261330.db2.gz	OVRATBBKNFQHKX-UHFFFAOYSA-N	-2	0	355.328	0.261	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2c(C)cnn2C)ccc1[O-]	ZINC000795355305	669028513	/nfs/dbraw/zinc/02/85/13/669028513.db2.gz	XSWVBLPQUGVPHO-UHFFFAOYSA-N	-2	0	360.417	0.143	20	10		FCCDRL
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1C(=O)[O-]	ZINC000736538196	667114537	/nfs/dbraw/zinc/11/45/37/667114537.db2.gz	UKQZGIBJWXTKPY-UHFFFAOYSA-N	-2	0	360.373	0.280	20	10		FCCDRL
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1C(=O)[O-]	ZINC000728015245	675473948	/nfs/dbraw/zinc/47/39/48/675473948.db2.gz	NDTZOPVDLMQJCF-UHFFFAOYSA-N	-2	0	360.373	0.280	20	10		FCCDRL
CCCC(=O)c1cc(O)c(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001233495425	1259552789	/nfs/dbraw/zinc/55/27/89/1259552789.db2.gz	FZCOYBMFJHZIBQ-XLKFXECMSA-N	-2	0	370.310	0.522	20	10		FCCDRL
CC1=c2c(nc(C(Cl)=Cc3cnnn3C)[n-]c2=O)=S=C1C(=O)[O-]	ZINC000832853112	601208266	/nfs/dbraw/zinc/20/82/66/601208266.db2.gz	RYKZWGAGTNCTIX-CLTKARDFSA-N	-2	0	351.775	0.473	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C)cnc2N)ccc1[O-]	ZINC000790406766	668876310	/nfs/dbraw/zinc/87/63/10/668876310.db2.gz	GZIBALMDSUCISI-UHFFFAOYSA-N	-2	0	372.428	0.387	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cn(C)c(C)n2)ccc1[O-]	ZINC000790407603	668876331	/nfs/dbraw/zinc/87/63/31/668876331.db2.gz	OJWVHFGVIWRANR-UHFFFAOYSA-N	-2	0	360.417	0.143	20	10		FCCDRL
CCn1nncc1C=C(Cl)c1nc2c(c(=O)[n-]1)=C(C)C(C(=O)[O-])=S=2	ZINC001605946722	1288108057	/nfs/dbraw/zinc/10/80/57/1288108057.db2.gz	BSMKKOVVEAHGRS-YWEYNIOJSA-N	-2	0	365.802	0.956	20	10		FCCDRL
O=C([O-])Cn1cc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)nn1	ZINC000533951708	490303223	/nfs/dbraw/zinc/30/32/23/490303223.db2.gz	GPCKFUWICNUBTP-WEVVVXLNSA-N	-2	0	367.321	0.715	20	10		FCCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cncc(F)c2)ccc1[O-]	ZINC000790407756	668876378	/nfs/dbraw/zinc/87/63/78/668876378.db2.gz	PKSFEVIIPHGRQZ-UHFFFAOYSA-N	-2	0	361.376	0.635	20	10		FCCDRL