smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)c1	ZINC000153979908	531617321	/nfs/dbraw/zinc/61/73/21/531617321.db2.gz	GQSQZNKIFJEDJC-UHFFFAOYSA-N	-1	1	392.234	2.365	20	30		GEEDMM
CS(=O)(=O)c1n[n-]c(NC(=O)CCc2ccccc2OC(F)(F)F)n1	ZINC000067157704	531877519	/nfs/dbraw/zinc/87/75/19/531877519.db2.gz	KJOKNOLMGAUWLW-UHFFFAOYSA-N	-1	1	378.332	2.328	20	30		GEEDMM
CS(=O)(=O)c1nnc(NC(=O)CCc2ccccc2OC(F)(F)F)[n-]1	ZINC000067157704	531877522	/nfs/dbraw/zinc/87/75/22/531877522.db2.gz	KJOKNOLMGAUWLW-UHFFFAOYSA-N	-1	1	378.332	2.328	20	30		GEEDMM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(CCS(C)(=O)=O)cc1	ZINC000179016231	532220666	/nfs/dbraw/zinc/22/06/66/532220666.db2.gz	BHWBIBRXQANHFH-UHFFFAOYSA-N	-1	1	378.475	2.255	20	30		GEEDMM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)c1	ZINC000186956075	532342792	/nfs/dbraw/zinc/34/27/92/532342792.db2.gz	JDRPVTZEONXGMU-UHFFFAOYSA-N	-1	1	378.776	2.127	20	30		GEEDMM
CCOC(=O)c1sc(C[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)nc1C	ZINC000589900807	532363309	/nfs/dbraw/zinc/36/33/09/532363309.db2.gz	YEDXOKMBGMXXIY-UHFFFAOYSA-N	-1	1	383.426	2.118	20	30		GEEDMM
C[C@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000192128262	532386906	/nfs/dbraw/zinc/38/69/06/532386906.db2.gz	XMZVHTMDTTVZIR-SNVBAGLBSA-N	-1	1	386.401	2.451	20	30		GEEDMM
C[C@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2)cc1	ZINC000192128994	532387498	/nfs/dbraw/zinc/38/74/98/532387498.db2.gz	BHKJJVYDVWUICS-GFCCVEGCSA-N	-1	1	382.438	2.453	20	30		GEEDMM
C=C(C)CS(=O)(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000435436790	532618284	/nfs/dbraw/zinc/61/82/84/532618284.db2.gz	HECQGXCOAUOXMH-UHFFFAOYSA-N	-1	1	380.491	2.483	20	30		GEEDMM
N#CC[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1	ZINC000597918582	532632965	/nfs/dbraw/zinc/63/29/65/532632965.db2.gz	QMTCUISRXYESPE-NSHDSACASA-N	-1	1	390.292	2.424	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C#N)c1ccc(F)cc1	ZINC000737198586	598851442	/nfs/dbraw/zinc/85/14/42/598851442.db2.gz	BDOWKGYXNGECLI-HNNXBMFYSA-N	-1	1	395.398	2.037	20	30		GEEDMM
N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(Br)c1	ZINC000737674126	599027085	/nfs/dbraw/zinc/02/70/85/599027085.db2.gz	GQEPWIFQNPLLNV-CYBMUJFWSA-N	-1	1	384.197	2.019	20	30		GEEDMM
N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(Br)c1	ZINC000737674126	599027087	/nfs/dbraw/zinc/02/70/87/599027087.db2.gz	GQEPWIFQNPLLNV-CYBMUJFWSA-N	-1	1	384.197	2.019	20	30		GEEDMM
CC(=NNc1nc(C)cc(=O)[n-]1)c1cnn(-c2ccc(-c3nn[nH]n3)cc2)c1C	ZINC000735451063	599147792	/nfs/dbraw/zinc/14/77/92/599147792.db2.gz	NUFUDGOISSQEKK-UHFFFAOYSA-N	-1	1	390.411	2.001	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@]1(C#N)CCC[C@H](C)C1	ZINC000737199679	599202324	/nfs/dbraw/zinc/20/23/24/599202324.db2.gz	IUTKRWHAYYBTKW-WLRWDXFRSA-N	-1	1	383.456	2.105	20	30		GEEDMM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1F	ZINC000822819560	607328105	/nfs/dbraw/zinc/32/81/05/607328105.db2.gz	VYTQFRAOSQSBNI-UHFFFAOYSA-N	-1	1	378.776	2.332	20	30		GEEDMM
CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2nccn2CC(F)(F)F)o1	ZINC000735850283	598496522	/nfs/dbraw/zinc/49/65/22/598496522.db2.gz	ANPSPKMXXRLEKQ-UHFFFAOYSA-N	-1	1	383.338	2.258	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)nc1-c1nn[nH]n1	ZINC000737721123	598699618	/nfs/dbraw/zinc/69/96/18/598699618.db2.gz	HFULPXFIUIAKPF-UHFFFAOYSA-N	-1	1	397.358	2.378	20	30		GEEDMM
N#CCc1ccc(Oc2ccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)cc2)cc1	ZINC000737697983	598720758	/nfs/dbraw/zinc/72/07/58/598720758.db2.gz	PLDDVTQYTPTTLP-UHFFFAOYSA-N	-1	1	386.375	2.192	20	30		GEEDMM
Cc1cc(C)n(N=Cc2ccc(Oc3cnccn3)cc2)c(=O)c1-c1nn[n-]n1	ZINC000822198887	599334224	/nfs/dbraw/zinc/33/42/24/599334224.db2.gz	MZFWBTYGQURKBZ-UHFFFAOYSA-N	-1	1	388.391	2.110	20	30		GEEDMM
CCN(CC)S(=O)(=O)c1ccc(NN=Cc2ccccc2C(=O)[O-])nc1	ZINC000737089480	599717959	/nfs/dbraw/zinc/71/79/59/599717959.db2.gz	XDISQNJSXXHVRM-UHFFFAOYSA-N	-1	1	376.438	2.256	20	30		GEEDMM
COC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1C(=O)[O-]	ZINC000831434901	600688493	/nfs/dbraw/zinc/68/84/93/600688493.db2.gz	JVZMYOMINOTNPX-UHFFFAOYSA-N	-1	1	394.792	2.497	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c(F)c1	ZINC000833069513	601982353	/nfs/dbraw/zinc/98/23/53/601982353.db2.gz	CEMCTQJYPIPCGS-GFCCVEGCSA-N	-1	1	398.362	2.197	20	30		GEEDMM
N#Cc1nc(-c2ccco2)oc1N1CCN(C[C@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000740323836	602451560	/nfs/dbraw/zinc/45/15/60/602451560.db2.gz	KNSARLVCBNTVLG-CQSZACIVSA-N	-1	1	385.424	2.318	20	30		GEEDMM
N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1	ZINC000826384735	607601083	/nfs/dbraw/zinc/60/10/83/607601083.db2.gz	HOZUYIAHNHFWQZ-UHFFFAOYSA-N	-1	1	398.423	2.231	20	30		GEEDMM
N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1	ZINC000826384735	607601086	/nfs/dbraw/zinc/60/10/86/607601086.db2.gz	HOZUYIAHNHFWQZ-UHFFFAOYSA-N	-1	1	398.423	2.231	20	30		GEEDMM
COC(=O)c1cc(NC(=O)CN[C@@H](C)c2ccc(C#N)cc2)cc(C(=O)[O-])c1	ZINC000833715122	605085087	/nfs/dbraw/zinc/08/50/87/605085087.db2.gz	OZVJMSSVEVXEMH-LBPRGKRZSA-N	-1	1	381.388	2.332	20	30		GEEDMM
C=CCc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc(OC)c1OC	ZINC000833378078	605113610	/nfs/dbraw/zinc/11/36/10/605113610.db2.gz	IPVURZXGBULUGF-CQSZACIVSA-N	-1	1	376.453	2.053	20	30		GEEDMM
COC(=O)c1cc(NC(=O)CNC2(c3cccc(C#N)c3)CC2)cc(C(=O)[O-])c1	ZINC000833715192	605141284	/nfs/dbraw/zinc/14/12/84/605141284.db2.gz	PWFDTAYWPOYPEG-UHFFFAOYSA-N	-1	1	393.399	2.260	20	30		GEEDMM
N#Cc1cc(CN2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)ccc1F	ZINC000833970369	605513816	/nfs/dbraw/zinc/51/38/16/605513816.db2.gz	NBBMFXSYAOMOEW-CRAIPNDOSA-N	-1	1	388.443	2.168	20	30		GEEDMM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN(C1CC1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000833963261	605780931	/nfs/dbraw/zinc/78/09/31/605780931.db2.gz	KLGWMSFCLKQSHZ-HZPDHXFCSA-N	-1	1	391.431	2.440	20	30		GEEDMM
CS(=O)(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1	ZINC000821938088	606390277	/nfs/dbraw/zinc/39/02/77/606390277.db2.gz	WTMRUCGNANIOJG-FNORWQNLSA-N	-1	1	375.435	2.196	20	30		GEEDMM
CS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1F	ZINC000821937699	606391998	/nfs/dbraw/zinc/39/19/98/606391998.db2.gz	PIUSQDGRQSXZHP-HYXAFXHYSA-N	-1	1	378.410	2.367	20	30		GEEDMM
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccnc(-c2nnn[n-]2)c1	ZINC000820033565	606647882	/nfs/dbraw/zinc/64/78/82/606647882.db2.gz	WZHVDZHDOCEGLE-QGZVFWFLSA-N	-1	1	378.392	2.280	20	30		GEEDMM
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccnc(-c2nn[n-]n2)c1	ZINC000820033565	606647883	/nfs/dbraw/zinc/64/78/83/606647883.db2.gz	WZHVDZHDOCEGLE-QGZVFWFLSA-N	-1	1	378.392	2.280	20	30		GEEDMM
Cc1cc(C)n(N=C2C[C@@H](C)N(Cc3ccccc3)C2)c(=O)c1-c1nn[n-]n1	ZINC000822198554	606861303	/nfs/dbraw/zinc/86/13/03/606861303.db2.gz	AFLGKZOIZTWAEP-CQSZACIVSA-N	-1	1	377.452	2.144	20	30		GEEDMM
CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1C#N	ZINC000821601375	606910267	/nfs/dbraw/zinc/91/02/67/606910267.db2.gz	DLKJQUQDJYFNAF-UHFFFAOYSA-N	-1	1	391.361	2.131	20	30		GEEDMM
CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1C#N	ZINC000821601375	606910269	/nfs/dbraw/zinc/91/02/69/606910269.db2.gz	DLKJQUQDJYFNAF-UHFFFAOYSA-N	-1	1	391.361	2.131	20	30		GEEDMM
COC[C@@H](C#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1	ZINC000826147675	608146866	/nfs/dbraw/zinc/14/68/66/608146866.db2.gz	HPPXLBDWNNCIMC-CYBMUJFWSA-N	-1	1	383.339	2.493	20	30		GEEDMM
COC[C@@H](C#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1	ZINC000826147675	608146867	/nfs/dbraw/zinc/14/68/67/608146867.db2.gz	HPPXLBDWNNCIMC-CYBMUJFWSA-N	-1	1	383.339	2.493	20	30		GEEDMM
C[C@H](Nc1nccnc1C#N)c1ccc(CNc2nccnc2-c2nnn[n-]2)cc1	ZINC000824671340	609593489	/nfs/dbraw/zinc/59/34/89/609593489.db2.gz	XSNOCNBFHJQDOO-LBPRGKRZSA-N	-1	1	399.422	2.104	20	30		GEEDMM
C[C@H](Nc1nccnc1C#N)c1ccc(CNc2nccnc2-c2nn[n-]n2)cc1	ZINC000824671340	609593492	/nfs/dbraw/zinc/59/34/92/609593492.db2.gz	XSNOCNBFHJQDOO-LBPRGKRZSA-N	-1	1	399.422	2.104	20	30		GEEDMM
CC(C)[C@H](O)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451237340	650097131	/nfs/dbraw/zinc/09/71/31/650097131.db2.gz	AWAYHWNXZFAVMY-GFCCVEGCSA-N	-1	1	379.251	2.145	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](O)C2)cc1Br	ZINC000451242270	650097664	/nfs/dbraw/zinc/09/76/64/650097664.db2.gz	MGJZGDRVXXOSAW-MWLCHTKSSA-N	-1	1	391.262	2.289	20	30		GEEDMM
C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451391731	650110494	/nfs/dbraw/zinc/11/04/94/650110494.db2.gz	HEOXAZMQAPZLIC-AMIZOPFISA-N	-1	1	377.235	2.306	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CCOC2)cc1Br	ZINC000451395219	650110749	/nfs/dbraw/zinc/11/07/49/650110749.db2.gz	PYWMPIYZNZGFRT-SECBINFHSA-N	-1	1	377.235	2.165	20	30		GEEDMM
COC(=O)[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccc(OC)c(Cl)c1	ZINC000451416893	650112201	/nfs/dbraw/zinc/11/22/01/650112201.db2.gz	KDLGBADPQVIPJE-CQSZACIVSA-N	-1	1	386.857	2.176	20	30		GEEDMM
CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451695259	650133911	/nfs/dbraw/zinc/13/39/11/650133911.db2.gz	DHQHQUABTBYYDN-GFCCVEGCSA-N	-1	1	377.235	2.306	20	30		GEEDMM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC	ZINC000451858274	650147785	/nfs/dbraw/zinc/14/77/85/650147785.db2.gz	IZLAVQYJEGZQGD-NEPJUHHUSA-N	-1	1	380.249	2.402	20	30		GEEDMM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000451906987	650152008	/nfs/dbraw/zinc/15/20/08/650152008.db2.gz	GTMBPUMAHYXZRX-PWSUYJOCSA-N	-1	1	391.243	2.369	20	30		GEEDMM
CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451982812	650161113	/nfs/dbraw/zinc/16/11/13/650161113.db2.gz	KCGCNKAVYVODQE-VXGBXAGGSA-N	-1	1	379.251	2.288	20	30		GEEDMM
C[S@@](=O)Cc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1	ZINC000510721870	650518196	/nfs/dbraw/zinc/51/81/96/650518196.db2.gz	VDUQTJDIUVLNTD-XMMPIXPASA-N	-1	1	384.429	2.193	20	30		GEEDMM
C[C@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1	ZINC000485994165	650704530	/nfs/dbraw/zinc/70/45/30/650704530.db2.gz	YGGRBLIJGANBPD-CQSZACIVSA-N	-1	1	378.475	2.357	20	30		GEEDMM
COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccc(C#N)c2)c(Br)o1	ZINC000120853285	643625327	/nfs/dbraw/zinc/62/53/27/643625327.db2.gz	MFXWFGZERJJBJD-UHFFFAOYSA-N	-1	1	399.222	2.179	20	30		GEEDMM
C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl	ZINC000280511169	646689591	/nfs/dbraw/zinc/68/95/91/646689591.db2.gz	DRIPBIVAGSPAAO-UHFFFAOYSA-N	-1	1	376.258	2.012	20	30		GEEDMM
CCS(=O)(=O)N1CCC(NC(=O)c2cc(Cl)c([O-])c(OC)c2)CC1	ZINC000331243248	647372972	/nfs/dbraw/zinc/37/29/72/647372972.db2.gz	RHPZHFXSFKIXHF-UHFFFAOYSA-N	-1	1	376.862	2.173	20	30		GEEDMM
COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc(Cl)c1[O-]	ZINC000331270192	647376412	/nfs/dbraw/zinc/37/64/12/647376412.db2.gz	KHYLCTZSJXPMRR-NEPJUHHUSA-N	-1	1	376.862	2.219	20	30		GEEDMM
CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1	ZINC000416531782	648162427	/nfs/dbraw/zinc/16/24/27/648162427.db2.gz	VHIUJPUZHBGIHW-AOOOYVTPSA-N	-1	1	377.235	2.306	20	30		GEEDMM
C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)O1	ZINC000416538371	648165079	/nfs/dbraw/zinc/16/50/79/648165079.db2.gz	WHHMMZYDWVKZRR-PSASIEDQSA-N	-1	1	377.235	2.306	20	30		GEEDMM
C#CCOc1ccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)cc1	ZINC000730995972	651614826	/nfs/dbraw/zinc/61/48/26/651614826.db2.gz	FQBBWBUOJRPMCU-UHFFFAOYSA-N	-1	1	379.459	2.211	20	30		GEEDMM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc(F)c(Br)cc1F	ZINC000569904947	651732992	/nfs/dbraw/zinc/73/29/92/651732992.db2.gz	JMIPUJZSECRCLY-ZETCQYMHSA-N	-1	1	384.198	2.425	20	30		GEEDMM
N#Cc1c(NC(=O)c2cnc3ccc(Br)cc3c2[O-])n[nH]c1C1CC1	ZINC000571236814	651819623	/nfs/dbraw/zinc/81/96/23/651819623.db2.gz	ASCXXTXGSINETA-UHFFFAOYSA-N	-1	1	398.220	3.015	20	30		GEEDMM
CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1O	ZINC000582834291	652463241	/nfs/dbraw/zinc/46/32/41/652463241.db2.gz	CGNFHHWRWWWQQW-ZBFHGGJFSA-N	-1	1	378.475	2.312	20	30		GEEDMM
N#Cc1cc([O-])cc(C(=O)NC[C@@H](O)COc2ccccc2Br)c1	ZINC000589189778	652561699	/nfs/dbraw/zinc/56/16/99/652561699.db2.gz	LYTVZLXIUVXZNB-CQSZACIVSA-N	-1	1	391.221	2.196	20	30		GEEDMM
Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H](C)S(C)(=O)=O)cc1	ZINC000593591369	652627422	/nfs/dbraw/zinc/62/74/22/652627422.db2.gz	VBSUGNRKIYYQIG-LRDDRELGSA-N	-1	1	398.531	2.381	20	30		GEEDMM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F	ZINC000594469002	652662333	/nfs/dbraw/zinc/66/23/33/652662333.db2.gz	SBPOUDIPASZKBQ-CABZTGNLSA-N	-1	1	377.821	2.135	20	30		GEEDMM
CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)c(Br)c1)[C@@H]1CCOC1	ZINC000594726474	652677021	/nfs/dbraw/zinc/67/70/21/652677021.db2.gz	MEZFCRIQPROGDP-RISCZKNCSA-N	-1	1	389.271	2.114	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1	ZINC000766055195	652863846	/nfs/dbraw/zinc/86/38/46/652863846.db2.gz	OYJYTLTUGGJUEH-ZDUSSCGKSA-N	-1	1	382.791	2.313	20	30		GEEDMM
O=c1cn[n-]c(=S)n1N=Cc1csc(COc2ccc(Cl)cc2)n1	ZINC000766483146	652881691	/nfs/dbraw/zinc/88/16/91/652881691.db2.gz	TZYKKDURGOGHGO-UHFFFAOYSA-N	-1	1	379.854	2.498	20	30		GEEDMM
COc1c([O-])c(C=NNC(=S)NCCc2cccs2)ccc1[N+](=O)[O-]	ZINC000773033241	653176842	/nfs/dbraw/zinc/17/68/42/653176842.db2.gz	FTBULCUVYKGGBL-UHFFFAOYSA-N	-1	1	380.451	2.411	20	30		GEEDMM
C=C(Cl)C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br	ZINC000770247100	653204349	/nfs/dbraw/zinc/20/43/49/653204349.db2.gz	FYRNEXHBHKJFQM-UHFFFAOYSA-N	-1	1	386.626	2.406	20	30		GEEDMM
C#C[C@H](C)[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl	ZINC000770362580	653210520	/nfs/dbraw/zinc/21/05/20/653210520.db2.gz	XVWGQZAZLIBPNE-YFKPBYRVSA-N	-1	1	379.619	2.249	20	30		GEEDMM
C#C[C@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br	ZINC000770377151	653210786	/nfs/dbraw/zinc/21/07/86/653210786.db2.gz	UFJZGOXADWFTCJ-SECBINFHSA-N	-1	1	378.219	2.065	20	30		GEEDMM
C#C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)(C)C	ZINC000811529799	653396525	/nfs/dbraw/zinc/39/65/25/653396525.db2.gz	ZYCUYHBOLWDZJZ-GFCCVEGCSA-N	-1	1	377.293	2.436	20	30		GEEDMM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000859425726	653462949	/nfs/dbraw/zinc/46/29/49/653462949.db2.gz	KPEKUXBAEGBSHQ-LLVKDONJSA-N	-1	1	391.243	2.064	20	30		GEEDMM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(Br)cnc1Cl	ZINC000859426419	653463519	/nfs/dbraw/zinc/46/35/19/653463519.db2.gz	RBWQTLUVVKWMTH-SNVBAGLBSA-N	-1	1	381.679	2.204	20	30		GEEDMM
Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1S(=O)(=O)NCC#N	ZINC000780991803	653636804	/nfs/dbraw/zinc/63/68/04/653636804.db2.gz	GXOJJDSWZZEZRL-UHFFFAOYSA-N	-1	1	379.825	2.408	20	30		GEEDMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ncc(C(F)(F)F)s1	ZINC000788432864	653755987	/nfs/dbraw/zinc/75/59/87/653755987.db2.gz	FKMYQZVNTJRKOR-UHFFFAOYSA-N	-1	1	380.329	2.383	20	30		GEEDMM
C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC	ZINC000882845980	653813478	/nfs/dbraw/zinc/81/34/78/653813478.db2.gz	BCBVHOZWLYUVLD-JTQLQIEISA-N	-1	1	382.265	2.385	20	30		GEEDMM
O=C([O-])c1ccc(N=NCc2c(Br)n[nH]c2Br)nc1	ZINC000793035700	653863504	/nfs/dbraw/zinc/86/35/04/653863504.db2.gz	ZNSYRKSPIYGJGJ-UHFFFAOYSA-N	-1	1	389.007	2.474	20	30		GEEDMM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F	ZINC000867222192	653897557	/nfs/dbraw/zinc/89/75/57/653897557.db2.gz	BGEDSKKELSLOQH-XLNZQSRMSA-N	-1	1	376.475	2.098	20	30		GEEDMM
N#CCn1cc([N-]S(=O)(=O)C2=Cc3cc(Br)ccc3OC2)cn1	ZINC000794861298	653922591	/nfs/dbraw/zinc/92/25/91/653922591.db2.gz	UHIONQNAUWLLPZ-UHFFFAOYSA-N	-1	1	395.238	2.344	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)C1CCOCC1	ZINC000851829976	654185673	/nfs/dbraw/zinc/18/56/73/654185673.db2.gz	UXVIZMGAUJAHGL-NSHDSACASA-N	-1	1	393.690	2.204	20	30		GEEDMM
CC(C)(C)OC(=O)NCC[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)C(F)F	ZINC000831975854	654221726	/nfs/dbraw/zinc/22/17/26/654221726.db2.gz	HYPRVQUGJJYQFN-LLVKDONJSA-N	-1	1	381.445	2.148	20	30		GEEDMM
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)cc1O	ZINC000921262780	654241655	/nfs/dbraw/zinc/24/16/55/654241655.db2.gz	YZEMUPDJDXUKBA-JZIMQPMSSA-N	-1	1	381.178	2.392	20	30		GEEDMM
CC(C)(Cc1ccc(C#N)cc1)[N-]S(=O)(=O)c1nc[nH]c1Br	ZINC000921447672	654269352	/nfs/dbraw/zinc/26/93/52/654269352.db2.gz	PPSAHAXKZXSAFA-UHFFFAOYSA-N	-1	1	383.271	2.343	20	30		GEEDMM
O=C(NCCc1c(F)cc([O-])cc1F)NC[C@@H](O)C(F)(F)C(F)(F)F	ZINC000927788311	654614314	/nfs/dbraw/zinc/61/43/14/654614314.db2.gz	HAQZZDRIYDITQK-SNVBAGLBSA-N	-1	1	378.244	2.071	20	30		GEEDMM
CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1csc(C#N)c1	ZINC000913962647	654818843	/nfs/dbraw/zinc/81/88/43/654818843.db2.gz	FJBMABHHYYLBFZ-INIZCTEOSA-N	-1	1	378.475	2.214	20	30		GEEDMM
C=CCNc1ncc(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)s1	ZINC000474045926	531266205	/nfs/dbraw/zinc/26/62/05/531266205.db2.gz	QJVQQERSDSWFQK-UHFFFAOYSA-N	-1	1	382.467	2.373	20	30		GEEDMM
N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)ccc1Cl	ZINC000133198447	532228942	/nfs/dbraw/zinc/22/89/42/532228942.db2.gz	NTBBFAULDMSWJA-UHFFFAOYSA-N	-1	1	382.850	2.342	20	30		GEEDMM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C#N)CC(C)C)c(F)c1	ZINC000590739709	532383981	/nfs/dbraw/zinc/38/39/81/532383981.db2.gz	BLVZLLYZJPSLAJ-CYBMUJFWSA-N	-1	1	391.490	2.194	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)cc1Br	ZINC000295109573	532403798	/nfs/dbraw/zinc/40/37/98/532403798.db2.gz	IHRLIMKRWGBAFF-RNCFNFMXSA-N	-1	1	391.262	2.289	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCOCC2)cc1Br	ZINC000295135632	532407987	/nfs/dbraw/zinc/40/79/87/532407987.db2.gz	KIYNCWNRQMZUBC-JTQLQIEISA-N	-1	1	377.235	2.307	20	30		GEEDMM
C=CCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC	ZINC000466752870	532433587	/nfs/dbraw/zinc/43/35/87/532433587.db2.gz	KDTYMEVBTFIQGM-UHFFFAOYSA-N	-1	1	376.500	2.044	20	30		GEEDMM
C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295830474	532480772	/nfs/dbraw/zinc/48/07/72/532480772.db2.gz	CKAVWQAFLVFLSX-PELKAZGASA-N	-1	1	377.235	2.163	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCSC2)cc1Br	ZINC000296365238	532516957	/nfs/dbraw/zinc/51/69/57/532516957.db2.gz	SITLORZQPXLWLZ-QMMMGPOBSA-N	-1	1	379.276	2.491	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCOC2)cc1Br	ZINC000296698021	532535427	/nfs/dbraw/zinc/53/54/27/532535427.db2.gz	KPCULQADAQMKJS-SECBINFHSA-N	-1	1	377.235	2.165	20	30		GEEDMM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC	ZINC000452033199	532771629	/nfs/dbraw/zinc/77/16/29/532771629.db2.gz	YWLPFLMIAIRCBV-SNVBAGLBSA-N	-1	1	382.265	2.385	20	30		GEEDMM
C=CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1	ZINC000327274169	532791828	/nfs/dbraw/zinc/79/18/28/532791828.db2.gz	DWCOBADRDNUBCB-UHFFFAOYSA-N	-1	1	380.447	2.471	20	30		GEEDMM
Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)n1	ZINC000287337708	532792165	/nfs/dbraw/zinc/79/21/65/532792165.db2.gz	LCUBMBQJRXBESS-UHFFFAOYSA-N	-1	1	385.243	2.226	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CO)cc1Br	ZINC000330808644	532827511	/nfs/dbraw/zinc/82/75/11/532827511.db2.gz	JSRHZDBZMJUZKA-NOZJJQNGSA-N	-1	1	391.262	2.289	20	30		GEEDMM
CN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000288573692	532832027	/nfs/dbraw/zinc/83/20/27/532832027.db2.gz	KWKBCCGIDKYEHJ-UHFFFAOYSA-N	-1	1	380.857	2.357	20	30		GEEDMM
CCc1nnc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)s1	ZINC000289508095	532857599	/nfs/dbraw/zinc/85/75/99/532857599.db2.gz	LOIUVPTXMMIHCI-UHFFFAOYSA-N	-1	1	387.284	2.213	20	30		GEEDMM
N#C[C@H]1CN(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CCO1	ZINC000737678953	598907092	/nfs/dbraw/zinc/90/70/92/598907092.db2.gz	MYYDZIRVCDNZPG-AWEZNQCLSA-N	-1	1	395.448	2.029	20	30		GEEDMM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1	ZINC000819824124	597646924	/nfs/dbraw/zinc/64/69/24/597646924.db2.gz	XTQPVFOTZAZISX-PBHICJAKSA-N	-1	1	383.370	2.400	20	30		GEEDMM
CC(C)Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1	ZINC000735850536	598285154	/nfs/dbraw/zinc/28/51/54/598285154.db2.gz	SHFWRMZTZJUITK-UHFFFAOYSA-N	-1	1	392.423	2.262	20	30		GEEDMM
C#CCOc1ccccc1OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C	ZINC000735388267	598423836	/nfs/dbraw/zinc/42/38/36/598423836.db2.gz	VUAYCHKOAUIAKD-UHFFFAOYSA-N	-1	1	393.403	2.134	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)CCc2nc3cc(Cl)ccc3s2)nc1-c1nn[nH]n1	ZINC000737706773	598430707	/nfs/dbraw/zinc/43/07/07/598430707.db2.gz	ZQBCYURBOHDTCG-UHFFFAOYSA-N	-1	1	399.827	2.296	20	30		GEEDMM
C=CCN(CCc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000819744107	599339402	/nfs/dbraw/zinc/33/94/02/599339402.db2.gz	WNHLRGPPZPAFDK-UHFFFAOYSA-N	-1	1	387.440	2.425	20	30		GEEDMM
C=CCN(CCc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000819744107	599339404	/nfs/dbraw/zinc/33/94/04/599339404.db2.gz	WNHLRGPPZPAFDK-UHFFFAOYSA-N	-1	1	387.440	2.425	20	30		GEEDMM
CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1-c1nn[nH]n1	ZINC000820177925	607375175	/nfs/dbraw/zinc/37/51/75/607375175.db2.gz	FBFVUKZLHXSRLE-UHFFFAOYSA-N	-1	1	384.421	2.326	20	30		GEEDMM
N#Cc1ccc([C@H](NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C(=O)[O-])cc1	ZINC000739107047	600596191	/nfs/dbraw/zinc/59/61/91/600596191.db2.gz	OTDFFZKMLBXSDV-PMACEKPBSA-N	-1	1	393.443	2.383	20	30		GEEDMM
N#Cc1ccc([C@@H](NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)C(=O)[O-])cc1	ZINC000739107050	600596296	/nfs/dbraw/zinc/59/62/96/600596296.db2.gz	OTDFFZKMLBXSDV-WOJBJXKFSA-N	-1	1	393.443	2.383	20	30		GEEDMM
CS(=O)(=O)Nc1cc(F)ccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738163824	600612884	/nfs/dbraw/zinc/61/28/84/600612884.db2.gz	HYSLQESLRIYKMO-HNNXBMFYSA-N	-1	1	392.364	2.052	20	30		GEEDMM
Cc1cc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)c(C(=O)[O-])[nH]1	ZINC000832898118	601575355	/nfs/dbraw/zinc/57/53/55/601575355.db2.gz	ARPDUAHLNVISGZ-UHFFFAOYSA-N	-1	1	384.211	2.456	20	30		GEEDMM
Cc1cccc(C[C@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C(=O)[O-])c1	ZINC000548550315	601981074	/nfs/dbraw/zinc/98/10/74/601981074.db2.gz	UQSZRPPEOKVXDB-CQSZACIVSA-N	-1	1	394.399	2.367	20	30		GEEDMM
N#CCCN(Cc1ccco1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000826382182	607580693	/nfs/dbraw/zinc/58/06/93/607580693.db2.gz	RQFKWQAZECRDNH-UHFFFAOYSA-N	-1	1	392.828	2.218	20	30		GEEDMM
N#CCCN(Cc1ccco1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1	ZINC000826382182	607580695	/nfs/dbraw/zinc/58/06/95/607580695.db2.gz	RQFKWQAZECRDNH-UHFFFAOYSA-N	-1	1	392.828	2.218	20	30		GEEDMM
CC(C)CCN(CCC#N)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1	ZINC000824249782	607607963	/nfs/dbraw/zinc/60/79/63/607607963.db2.gz	UJRXUYUUMFPAJM-UHFFFAOYSA-N	-1	1	382.877	2.471	20	30		GEEDMM
CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1	ZINC000824085135	607609447	/nfs/dbraw/zinc/60/94/47/607609447.db2.gz	CCPLABCBORICNS-UHFFFAOYSA-N	-1	1	382.877	2.471	20	30		GEEDMM
Cc1csc(=NCCc2ccccn2)n1N=Cc1ccc(-c2nnn[n-]2)o1	ZINC000826320540	607634102	/nfs/dbraw/zinc/63/41/02/607634102.db2.gz	UXPIBIBYVWSQLF-UHFFFAOYSA-N	-1	1	380.437	2.052	20	30		GEEDMM
Cc1csc(=NCCc2ccccn2)n1N=Cc1ccc(-c2nn[n-]n2)o1	ZINC000826320540	607634103	/nfs/dbraw/zinc/63/41/03/607634103.db2.gz	UXPIBIBYVWSQLF-UHFFFAOYSA-N	-1	1	380.437	2.052	20	30		GEEDMM
COc1ccc(N=c2scc(C)n2N=Cc2ccc(-c3nnn[n-]3)o2)cn1	ZINC000826209825	607634443	/nfs/dbraw/zinc/63/44/43/607634443.db2.gz	SJHCLGQLHRDFST-UHFFFAOYSA-N	-1	1	382.409	2.149	20	30		GEEDMM
COc1ccc(N=c2scc(C)n2N=Cc2ccc(-c3nn[n-]n3)o2)cn1	ZINC000826209825	607634445	/nfs/dbraw/zinc/63/44/45/607634445.db2.gz	SJHCLGQLHRDFST-UHFFFAOYSA-N	-1	1	382.409	2.149	20	30		GEEDMM
CN1CCC(C#N)(NC(=O)c2ccc3c(ccn3CCCNC(=O)[O-])c2)CC1	ZINC000828458774	603534648	/nfs/dbraw/zinc/53/46/48/603534648.db2.gz	FMSDQICKNXSSFT-UHFFFAOYSA-N	-1	1	383.452	2.017	20	30		GEEDMM
COC(=O)c1cc(NC(=O)CN[C@H](C)c2ccc(C#N)cc2)cc(C(=O)[O-])c1	ZINC000833715120	605085199	/nfs/dbraw/zinc/08/51/99/605085199.db2.gz	OZVJMSSVEVXEMH-GFCCVEGCSA-N	-1	1	381.388	2.332	20	30		GEEDMM
C=CCSc1ccccc1NC(=O)CN1CCN(CCC(=O)[O-])C[C@H]1C	ZINC000833377725	605186680	/nfs/dbraw/zinc/18/66/80/605186680.db2.gz	AFQDQZRTADYJLP-OAHLLOKOSA-N	-1	1	377.510	2.384	20	30		GEEDMM
CCCN(CCS(=O)(=O)c1ccc(C#N)cc1)C1CCN(C(=O)[O-])CC1	ZINC000826911952	605468006	/nfs/dbraw/zinc/46/80/06/605468006.db2.gz	JXMTYBSOZUIWNX-UHFFFAOYSA-N	-1	1	379.482	2.186	20	30		GEEDMM
N#CC1(NC(=O)CC[C@H]2CCN(C(=O)[O-])C2)CCN(Cc2ccccc2)CC1	ZINC000833962881	605472899	/nfs/dbraw/zinc/47/28/99/605472899.db2.gz	BKCNEBDUOGOYSA-SFHVURJKSA-N	-1	1	384.480	2.441	20	30		GEEDMM
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1	ZINC000834025577	605519346	/nfs/dbraw/zinc/51/93/46/605519346.db2.gz	FLKICIMSOOBTHW-IEBWSBKVSA-N	-1	1	387.455	2.148	20	30		GEEDMM
O=C([O-])N1CC[C@@]2(C1)CC(=NNC1=N[C@H]3CCCC[C@@H]3N1)c1ccccc1O2	ZINC000834085146	605625799	/nfs/dbraw/zinc/62/57/99/605625799.db2.gz	KTYKIEBQTOCMHR-AVYPCKFXSA-N	-1	1	383.452	2.156	20	30		GEEDMM
N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833962050	606012797	/nfs/dbraw/zinc/01/27/97/606012797.db2.gz	XDZWBVUCTFXMSD-MRVPVSSYSA-N	-1	1	377.719	2.320	20	30		GEEDMM
N#Cc1ccc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C(F)(F)F	ZINC000822830175	606442340	/nfs/dbraw/zinc/44/23/40/606442340.db2.gz	WKDNRRWHOCCULI-UHFFFAOYSA-N	-1	1	377.334	2.107	20	30		GEEDMM
N#Cc1ccc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C(F)(F)F	ZINC000822830175	606442342	/nfs/dbraw/zinc/44/23/42/606442342.db2.gz	WKDNRRWHOCCULI-UHFFFAOYSA-N	-1	1	377.334	2.107	20	30		GEEDMM
CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1ccnc(-c2nnn[n-]2)c1	ZINC000820033564	606647792	/nfs/dbraw/zinc/64/77/92/606647792.db2.gz	WZHVDZHDOCEGLE-KRWDZBQOSA-N	-1	1	378.392	2.280	20	30		GEEDMM
CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1ccnc(-c2nn[n-]n2)c1	ZINC000820033564	606647793	/nfs/dbraw/zinc/64/77/93/606647793.db2.gz	WZHVDZHDOCEGLE-KRWDZBQOSA-N	-1	1	378.392	2.280	20	30		GEEDMM
C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccc(C#N)cc1	ZINC000820438521	606885983	/nfs/dbraw/zinc/88/59/83/606885983.db2.gz	RFOAUYLCFJKSNJ-VIFPVBQESA-N	-1	1	390.375	2.056	20	30		GEEDMM
C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(-c2nn[nH]n2)c1	ZINC000820437998	606893103	/nfs/dbraw/zinc/89/31/03/606893103.db2.gz	FWUFJDOQRVYYBL-SECBINFHSA-N	-1	1	390.375	2.056	20	30		GEEDMM
CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000821309772	607032533	/nfs/dbraw/zinc/03/25/33/607032533.db2.gz	SOUQMQCGTIGOIZ-UHFFFAOYSA-N	-1	1	383.437	2.279	20	30		GEEDMM
CCn1c(=O)c2ccccc2nc1NN=C(C)c1ccc(-c2nn[n-]n2)s1	ZINC000825796601	608095153	/nfs/dbraw/zinc/09/51/53/608095153.db2.gz	JHVJYYFXWBLOAL-UHFFFAOYSA-N	-1	1	380.437	2.494	20	30		GEEDMM
C#CCOCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1	ZINC000823856282	608133478	/nfs/dbraw/zinc/13/34/78/608133478.db2.gz	OCVMYFJGZVTICZ-UHFFFAOYSA-N	-1	1	381.367	2.178	20	30		GEEDMM
C#CCOCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1	ZINC000823856282	608133479	/nfs/dbraw/zinc/13/34/79/608133479.db2.gz	OCVMYFJGZVTICZ-UHFFFAOYSA-N	-1	1	381.367	2.178	20	30		GEEDMM
N#Cc1c(Cl)cccc1SCc1cc(=O)n2ncc(-c3nn[n-]n3)c2[nH]1	ZINC000826383321	608206336	/nfs/dbraw/zinc/20/63/36/608206336.db2.gz	VGMUWJAKQBHLOP-UHFFFAOYSA-N	-1	1	384.812	2.432	20	30		GEEDMM
CC[C@H](O)CCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451239805	650097450	/nfs/dbraw/zinc/09/74/50/650097450.db2.gz	GSAVSOHNQBTCCQ-JTQLQIEISA-N	-1	1	379.251	2.289	20	30		GEEDMM
C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451417753	650112228	/nfs/dbraw/zinc/11/22/28/650112228.db2.gz	KWFHZEBRZHELKW-PBKGFPTLSA-N	-1	1	377.235	2.065	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](CO)CC2CCC2)cc1Br	ZINC000451497827	650121205	/nfs/dbraw/zinc/12/12/05/650121205.db2.gz	VXNIVJNBNFIIJI-NSHDSACASA-N	-1	1	391.262	2.289	20	30		GEEDMM
CC1(C)COC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451983594	650161135	/nfs/dbraw/zinc/16/11/35/650161135.db2.gz	VAWQYOJKSGCCEU-GFCCVEGCSA-N	-1	1	377.235	2.163	20	30		GEEDMM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)c(NS(C)(=O)=O)c1	ZINC000513378922	650562210	/nfs/dbraw/zinc/56/22/10/650562210.db2.gz	RSXAJTMRAJMLGZ-UHFFFAOYSA-N	-1	1	383.426	2.178	20	30		GEEDMM
CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1F	ZINC000498032038	650846116	/nfs/dbraw/zinc/84/61/16/650846116.db2.gz	OCEPWIGBPDACRC-UHFFFAOYSA-N	-1	1	383.426	2.260	20	30		GEEDMM
C[C@]1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCCO1	ZINC000331300186	647378453	/nfs/dbraw/zinc/37/84/53/647378453.db2.gz	DUDOOYOOOKQHTG-CYBMUJFWSA-N	-1	1	377.235	2.307	20	30		GEEDMM
CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Br)ccc2C#N)no1	ZINC000416534547	648163440	/nfs/dbraw/zinc/16/34/40/648163440.db2.gz	ZELZOHDPVCZTQU-UHFFFAOYSA-N	-1	1	399.270	2.480	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](CO)C2)cc1Br	ZINC000416670346	648207690	/nfs/dbraw/zinc/20/76/90/648207690.db2.gz	YTBWLCNCKJGRHA-ONGXEEELSA-N	-1	1	391.262	2.289	20	30		GEEDMM
O=C([O-])COc1ccc(C=NNc2ncnc3nc[nH]c32)cc1Br	ZINC000743438671	652019814	/nfs/dbraw/zinc/01/98/14/652019814.db2.gz	OQKUXUMGTAMYIZ-UHFFFAOYSA-N	-1	1	391.185	2.025	20	30		GEEDMM
CN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1(C#N)CCC1	ZINC000574455195	652022699	/nfs/dbraw/zinc/02/26/99/652022699.db2.gz	VZIVZMWZPCKZBN-UHFFFAOYSA-N	-1	1	376.265	2.176	20	30		GEEDMM
CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ncc(Br)s1	ZINC000756882372	652508116	/nfs/dbraw/zinc/50/81/16/652508116.db2.gz	WAZDDEWWJWVGBZ-UHFFFAOYSA-N	-1	1	385.268	2.368	20	30		GEEDMM
N#Cc1cc([O-])cc(C(=O)NC[C@H](O)COc2ccccc2Br)c1	ZINC000589189777	652561775	/nfs/dbraw/zinc/56/17/75/652561775.db2.gz	LYTVZLXIUVXZNB-AWEZNQCLSA-N	-1	1	391.221	2.196	20	30		GEEDMM
COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)c1O	ZINC000761012029	652630054	/nfs/dbraw/zinc/63/00/54/652630054.db2.gz	QXTKWQWGMJLDBK-MASHWEEQSA-N	-1	1	381.178	2.392	20	30		GEEDMM
COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)c1O	ZINC000761012024	652630078	/nfs/dbraw/zinc/63/00/78/652630078.db2.gz	QXTKWQWGMJLDBK-DXTPNHAXSA-N	-1	1	381.178	2.392	20	30		GEEDMM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N([C@@H](C)C#N)C2CC2)c(F)c1	ZINC000594726631	652676859	/nfs/dbraw/zinc/67/68/59/652676859.db2.gz	HSLUCNUFHVBFBS-NSHDSACASA-N	-1	1	389.474	2.043	20	30		GEEDMM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(Br)cc2C#N)co1	ZINC000805515881	653121854	/nfs/dbraw/zinc/12/18/54/653121854.db2.gz	DFXQXMHIMWFSTR-UHFFFAOYSA-N	-1	1	399.222	2.179	20	30		GEEDMM
C=C(C)CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC	ZINC000679200870	653140670	/nfs/dbraw/zinc/14/06/70/653140670.db2.gz	SQODTDMFAWXEGD-UHFFFAOYSA-N	-1	1	376.500	2.044	20	30		GEEDMM
C#C[C@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F	ZINC000770378470	653211296	/nfs/dbraw/zinc/21/12/96/653211296.db2.gz	CLLZHEYJXKSCPX-MRVPVSSYSA-N	-1	1	378.219	2.065	20	30		GEEDMM
C#C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)(C)C	ZINC000811529801	653396479	/nfs/dbraw/zinc/39/64/79/653396479.db2.gz	ZYCUYHBOLWDZJZ-LBPRGKRZSA-N	-1	1	377.293	2.436	20	30		GEEDMM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)nc1F	ZINC000859145416	653412509	/nfs/dbraw/zinc/41/25/09/653412509.db2.gz	KVLPBXZBWOPNEL-BXKDBHETSA-N	-1	1	379.251	2.243	20	30		GEEDMM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F	ZINC000859426246	653463362	/nfs/dbraw/zinc/46/33/62/653463362.db2.gz	OWUNYPXLLMRAPA-VIFPVBQESA-N	-1	1	382.226	2.434	20	30		GEEDMM
CC(C)NS(=O)(=O)c1ccc(N=NC(C)c2csc(C(=O)[O-])c2)nc1	ZINC000814802552	653639699	/nfs/dbraw/zinc/63/96/99/653639699.db2.gz	MSCUOXICEOFPNH-UHFFFAOYSA-N	-1	1	382.467	2.364	20	30		GEEDMM
N#CCN1CCC([N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1	ZINC000881868342	653745044	/nfs/dbraw/zinc/74/50/44/653745044.db2.gz	BKZKYIYPLFAKDG-UHFFFAOYSA-N	-1	1	382.795	2.020	20	30		GEEDMM
C[S@@](=O)(=NS(=O)(=O)[N-][C@@H]1Cc2ccc(C#N)cc2C1)C1CCCCC1	ZINC000882504499	653785437	/nfs/dbraw/zinc/78/54/37/653785437.db2.gz	YMPIEOSSHZJLTR-GYCJOSAFSA-N	-1	1	381.523	2.290	20	30		GEEDMM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)C(F)(F)C(F)(F)F	ZINC000882780936	653807102	/nfs/dbraw/zinc/80/71/02/653807102.db2.gz	VNHAKPMVNJFGGA-SECBINFHSA-N	-1	1	378.706	2.048	20	30		GEEDMM
COC(=O)c1csc(C(C)=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000794916420	653924322	/nfs/dbraw/zinc/92/43/22/653924322.db2.gz	XDYMXOMNLKORQC-UHFFFAOYSA-N	-1	1	383.407	2.145	20	30		GEEDMM
C#CCSCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC	ZINC000795858367	653971764	/nfs/dbraw/zinc/97/17/64/653971764.db2.gz	WOLFEXPFSJDNDE-UHFFFAOYSA-N	-1	1	382.290	2.425	20	30		GEEDMM
C=CCn1c(C)nn(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1=S	ZINC000848502737	653982094	/nfs/dbraw/zinc/98/20/94/653982094.db2.gz	XDKRZGSKRWJELC-ZYHUDNBSSA-N	-1	1	377.436	2.397	20	30		GEEDMM
C=CCCSCC[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br	ZINC000849426103	654032174	/nfs/dbraw/zinc/03/21/74/654032174.db2.gz	PDEISPZIBHOZIZ-UHFFFAOYSA-N	-1	1	398.300	2.416	20	30		GEEDMM
CCOC(=O)CS[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)C(F)(F)F	ZINC000828510679	654039243	/nfs/dbraw/zinc/03/92/43/654039243.db2.gz	RFSWNSMFTYIAIA-LBPRGKRZSA-N	-1	1	376.356	2.221	20	30		GEEDMM
C=CCOCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000849458268	654039966	/nfs/dbraw/zinc/03/99/66/654039966.db2.gz	DFNGVEBVYICNOB-UHFFFAOYSA-N	-1	1	397.222	2.367	20	30		GEEDMM
C#CCC[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F	ZINC000798488379	654066051	/nfs/dbraw/zinc/06/60/51/654066051.db2.gz	NRHSWGSCYOYPQL-QMMMGPOBSA-N	-1	1	384.654	2.294	20	30		GEEDMM
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)cc1O	ZINC000921262781	654242159	/nfs/dbraw/zinc/24/21/59/654242159.db2.gz	YZEMUPDJDXUKBA-NHZBNJEXSA-N	-1	1	381.178	2.392	20	30		GEEDMM
Cc1nc(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)c(Br)n1C	ZINC000805022551	654337057	/nfs/dbraw/zinc/33/70/57/654337057.db2.gz	WDXAYDGMZMKBKS-VIFPVBQESA-N	-1	1	383.271	2.402	20	30		GEEDMM
C=CCCN(C)S(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1	ZINC000907149506	654514861	/nfs/dbraw/zinc/51/48/61/654514861.db2.gz	RUVWCTRATRXURK-UHFFFAOYSA-N	-1	1	378.416	2.494	20	30		GEEDMM
N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)c1	ZINC000153973677	531613971	/nfs/dbraw/zinc/61/39/71/531613971.db2.gz	WSEPJZQTUAORPB-UHFFFAOYSA-N	-1	1	394.250	2.149	20	30		GEEDMM
N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c1	ZINC000153969680	531614724	/nfs/dbraw/zinc/61/47/24/531614724.db2.gz	FHXYUFLDKVJIFS-UHFFFAOYSA-N	-1	1	380.223	2.220	20	30		GEEDMM
CS(=O)(=O)c1n[n-]c(NC(=O)CCc2ccc(OC(F)(F)F)cc2)n1	ZINC000067157718	531879412	/nfs/dbraw/zinc/87/94/12/531879412.db2.gz	UZULLVLEBIIGDH-UHFFFAOYSA-N	-1	1	378.332	2.328	20	30		GEEDMM
CS(=O)(=O)c1nnc(NC(=O)CCc2ccc(OC(F)(F)F)cc2)[n-]1	ZINC000067157718	531879418	/nfs/dbraw/zinc/87/94/18/531879418.db2.gz	UZULLVLEBIIGDH-UHFFFAOYSA-N	-1	1	378.332	2.328	20	30		GEEDMM
N#Cc1cccc(S(=O)(=O)[N-]c2ncccc2I)c1	ZINC000121722854	532044107	/nfs/dbraw/zinc/04/41/07/532044107.db2.gz	MXLLXFAUKNUCKS-UHFFFAOYSA-N	-1	1	385.186	2.359	20	30		GEEDMM
N#Cc1cc(S(=O)(=O)[N-]c2ccccc2NCCC(N)=O)ccc1Cl	ZINC000174748401	532077498	/nfs/dbraw/zinc/07/74/98/532077498.db2.gz	FRCSEOWNRSQXTH-UHFFFAOYSA-N	-1	1	378.841	2.300	20	30		GEEDMM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(CS(C)(=O)=O)c(F)c1	ZINC000177686782	532179522	/nfs/dbraw/zinc/17/95/22/532179522.db2.gz	OPYWZZBNCKBYCF-UHFFFAOYSA-N	-1	1	382.438	2.351	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCO)cc1Br	ZINC000295109576	532403740	/nfs/dbraw/zinc/40/37/40/532403740.db2.gz	IHRLIMKRWGBAFF-ZANVPECISA-N	-1	1	391.262	2.289	20	30		GEEDMM
COc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1[N-]S(C)(=O)=O	ZINC000427914088	532436545	/nfs/dbraw/zinc/43/65/45/532436545.db2.gz	QBJFQFOUAKONOD-UHFFFAOYSA-N	-1	1	380.813	2.239	20	30		GEEDMM
C[C@@H](CCCCO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295878302	532484089	/nfs/dbraw/zinc/48/40/89/532484089.db2.gz	ZLWYREFIBXHDAJ-VIFPVBQESA-N	-1	1	379.251	2.289	20	30		GEEDMM
C[C@@H](CCO)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000296269655	532509208	/nfs/dbraw/zinc/50/92/08/532509208.db2.gz	QISVWIBRYUUIGK-SECBINFHSA-N	-1	1	379.251	2.147	20	30		GEEDMM
C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F	ZINC000599298633	532657987	/nfs/dbraw/zinc/65/79/87/532657987.db2.gz	ZFVIAAWEOIWGFO-MEBBXXQBSA-N	-1	1	375.393	2.011	20	30		GEEDMM
CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000573785280	532711960	/nfs/dbraw/zinc/71/19/60/532711960.db2.gz	VGNJVKQTAVBFLQ-NEPJUHHUSA-N	-1	1	377.235	2.306	20	30		GEEDMM
N#CCC1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1	ZINC000575223924	532718610	/nfs/dbraw/zinc/71/86/10/532718610.db2.gz	KVCGZUURRAAMFW-UHFFFAOYSA-N	-1	1	390.292	2.424	20	30		GEEDMM
CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000286637600	532759650	/nfs/dbraw/zinc/75/96/50/532759650.db2.gz	ZRIYGCAVWJGXLH-SSDOTTSWSA-N	-1	1	380.195	2.467	20	30		GEEDMM
CC(C)N1CC[C@@H](NC(=O)c2ccc(I)c([O-])c2)C1=O	ZINC000330879862	532828946	/nfs/dbraw/zinc/82/89/46/532828946.db2.gz	YACUHHHDEGXJRV-LLVKDONJSA-N	-1	1	388.205	2.311	20	30		GEEDMM
N#Cc1ccc(-c2nnc(Cn3cc(-c4nn[n-]n4)c(=O)c4ccccc43)o2)cc1	ZINC000737707892	599167706	/nfs/dbraw/zinc/16/77/06/599167706.db2.gz	ABIMKXHJMUAGCM-UHFFFAOYSA-N	-1	1	396.370	2.152	20	30		GEEDMM
C=CCn1c(CCN2CCCCC2)nn(CN2CCC(C(=O)[O-])CC2)c1=S	ZINC000737536302	596913584	/nfs/dbraw/zinc/91/35/84/596913584.db2.gz	AYFHUFPIRCTXPG-UHFFFAOYSA-N	-1	1	393.557	2.383	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc(F)c(C#N)c1	ZINC000737199533	598588889	/nfs/dbraw/zinc/58/88/89/598588889.db2.gz	HSOWLRNUTXVVIK-UHFFFAOYSA-N	-1	1	381.371	2.166	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)nc1-c1nn[nH]n1	ZINC000737703652	598699471	/nfs/dbraw/zinc/69/94/71/598699471.db2.gz	AAMLLRWQYFMPRU-SECBINFHSA-N	-1	1	376.302	2.136	20	30		GEEDMM
CN=c1scc(-c2ccccc2OC)n1N=Cc1ccc(-c2nnn[n-]2)o1	ZINC000736865205	599324245	/nfs/dbraw/zinc/32/42/45/599324245.db2.gz	AQSPUDHZIOUDBW-UHFFFAOYSA-N	-1	1	381.421	2.411	20	30		GEEDMM
CN=c1scc(-c2ccccc2OC)n1N=Cc1ccc(-c2nn[n-]n2)o1	ZINC000736865205	599324248	/nfs/dbraw/zinc/32/42/48/599324248.db2.gz	AQSPUDHZIOUDBW-UHFFFAOYSA-N	-1	1	381.421	2.411	20	30		GEEDMM
Cc1cccc(C)c1OCC1N=NC(=S)N1N=Cc1ccc(-c2nnn[n-]2)o1	ZINC000822299559	599335138	/nfs/dbraw/zinc/33/51/38/599335138.db2.gz	MUMPQYYXMIIPOG-UHFFFAOYSA-N	-1	1	396.436	2.418	20	30		GEEDMM
Cc1cccc(C)c1OCC1N=NC(=S)N1N=Cc1ccc(-c2nn[n-]n2)o1	ZINC000822299559	599335141	/nfs/dbraw/zinc/33/51/41/599335141.db2.gz	MUMPQYYXMIIPOG-UHFFFAOYSA-N	-1	1	396.436	2.418	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc3ccc(Br)cn23)o1	ZINC000737467997	599367948	/nfs/dbraw/zinc/36/79/48/599367948.db2.gz	VMUDGCUVJGSXEZ-UHFFFAOYSA-N	-1	1	388.189	2.019	20	30		GEEDMM
CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1-c1nn[nH]n1	ZINC000820178656	607377176	/nfs/dbraw/zinc/37/71/76/607377176.db2.gz	WCKPGPCPZRZPPC-UHFFFAOYSA-N	-1	1	384.421	2.326	20	30		GEEDMM
CC(C)NS(=O)(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000736483749	600592182	/nfs/dbraw/zinc/59/21/82/600592182.db2.gz	OHBZSORFJUUGJQ-GOSISDBHSA-N	-1	1	387.461	2.160	20	30		GEEDMM
CS(=O)(=O)Nc1ccc(F)cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738164157	600610840	/nfs/dbraw/zinc/61/08/40/600610840.db2.gz	NAHDCCXVBZPDSC-OAHLLOKOSA-N	-1	1	392.364	2.052	20	30		GEEDMM
C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC000736089512	600900735	/nfs/dbraw/zinc/90/07/35/600900735.db2.gz	LSLHAAJJDYUWGS-UHFFFAOYSA-N	-1	1	393.392	2.492	20	30		GEEDMM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000827369413	601131827	/nfs/dbraw/zinc/13/18/27/601131827.db2.gz	XJWRBYLXVZBSJH-NSHDSACASA-N	-1	1	382.367	2.172	20	30		GEEDMM
O=S(=O)(OCC(F)(F)F)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1	ZINC000826493614	607572422	/nfs/dbraw/zinc/57/24/22/607572422.db2.gz	TZNOSSHYBVTEHW-UHFFFAOYSA-N	-1	1	376.238	2.153	20	30		GEEDMM
Cc1cccc(S(=O)(=O)Oc2ccc(C#N)cc2Cl)c1-c1nn[n-]n1	ZINC000826304557	607581071	/nfs/dbraw/zinc/58/10/71/607581071.db2.gz	PMYNJNYOFHXNRZ-UHFFFAOYSA-N	-1	1	375.797	2.468	20	30		GEEDMM
Cc1csc(=NC[C@H]2CCCO2)n1N=Cc1ccc(-c2nn[n-]n2)s1	ZINC000826320180	607634170	/nfs/dbraw/zinc/63/41/70/607634170.db2.gz	JBUMHDLKLHZVRU-LLVKDONJSA-N	-1	1	375.483	2.062	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)c(F)c1	ZINC000831114679	603916736	/nfs/dbraw/zinc/91/67/36/603916736.db2.gz	QNPITYSLTKCPSS-CQSZACIVSA-N	-1	1	381.360	2.124	20	30		GEEDMM
N#CCCn1ccc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)n1	ZINC000444256711	649943376	/nfs/dbraw/zinc/94/33/76/649943376.db2.gz	NGARPKFXWFVHEN-UHFFFAOYSA-N	-1	1	386.209	2.653	20	30		GEEDMM
N#CC1(NC(=O)CC[C@@H]2CCN(C(=O)[O-])C2)CCN(Cc2ccccc2)CC1	ZINC000833962877	605473004	/nfs/dbraw/zinc/47/30/04/605473004.db2.gz	BKCNEBDUOGOYSA-GOSISDBHSA-N	-1	1	384.480	2.441	20	30		GEEDMM
N#CC(C(=O)CCOC1CN(C(=O)[O-])C1)c1nc2ccccc2n1C(F)F	ZINC000833960115	606110616	/nfs/dbraw/zinc/11/06/16/606110616.db2.gz	FVMQOMPEEZVXDI-NSHDSACASA-N	-1	1	378.335	2.377	20	30		GEEDMM
O=S(=O)(c1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)cc1)C(F)F	ZINC000823605849	606371438	/nfs/dbraw/zinc/37/14/38/606371438.db2.gz	BXSRXASLVMVWSJ-UHFFFAOYSA-N	-1	1	384.393	2.371	20	30		GEEDMM
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1	ZINC000822802142	606521525	/nfs/dbraw/zinc/52/15/25/606521525.db2.gz	WGFJQDLONOQYHC-CQSZACIVSA-N	-1	1	397.439	2.090	20	30		GEEDMM
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1	ZINC000822802142	606521527	/nfs/dbraw/zinc/52/15/27/606521527.db2.gz	WGFJQDLONOQYHC-CQSZACIVSA-N	-1	1	397.439	2.090	20	30		GEEDMM
N#CCCN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)OCCO2	ZINC000822806128	606550657	/nfs/dbraw/zinc/55/06/57/606550657.db2.gz	JCSAKQBWTFSGHI-UHFFFAOYSA-N	-1	1	382.405	2.260	20	30		GEEDMM
N#CCCN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)OCCO2	ZINC000822806128	606550659	/nfs/dbraw/zinc/55/06/59/606550659.db2.gz	JCSAKQBWTFSGHI-UHFFFAOYSA-N	-1	1	382.405	2.260	20	30		GEEDMM
N#Cc1cccc(OC2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)c1	ZINC000822836968	606552213	/nfs/dbraw/zinc/55/22/13/606552213.db2.gz	CEHUZQWYOLMWJJ-UHFFFAOYSA-N	-1	1	380.433	2.483	20	30		GEEDMM
N#Cc1cccc(OC2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)c1	ZINC000822836968	606552214	/nfs/dbraw/zinc/55/22/14/606552214.db2.gz	CEHUZQWYOLMWJJ-UHFFFAOYSA-N	-1	1	380.433	2.483	20	30		GEEDMM
CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1)c1cc(C(=O)[O-])ccc1O	ZINC000819781656	606856431	/nfs/dbraw/zinc/85/64/31/606856431.db2.gz	BZQOZQNMEQKPNX-UHFFFAOYSA-N	-1	1	385.384	2.392	20	30		GEEDMM
C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(-c2nn[nH]n2)c1	ZINC000820437999	606892926	/nfs/dbraw/zinc/89/29/26/606892926.db2.gz	FWUFJDOQRVYYBL-VIFPVBQESA-N	-1	1	390.375	2.056	20	30		GEEDMM
COC(=O)[C@@H](C)Oc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1	ZINC000821641012	606918315	/nfs/dbraw/zinc/91/83/15/606918315.db2.gz	UEIGGMZMZUZSOT-LLVKDONJSA-N	-1	1	399.411	2.364	20	30		GEEDMM
CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cn(-c3ccccc3)nn2)o1	ZINC000824141973	607887451	/nfs/dbraw/zinc/88/74/51/607887451.db2.gz	PVBFVQZSBHFFAX-UHFFFAOYSA-N	-1	1	378.400	2.179	20	30		GEEDMM
Cc1nn2c(C=NNc3oc(CC(C)C)nc3-c3nn[n-]n3)c(C)nc2s1	ZINC000826334636	608229732	/nfs/dbraw/zinc/22/97/32/608229732.db2.gz	CTEJHEAQBZQJCO-UHFFFAOYSA-N	-1	1	386.445	2.220	20	30		GEEDMM
CCCCCCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1	ZINC000825270779	608358699	/nfs/dbraw/zinc/35/86/99/608358699.db2.gz	CVTDCUHRNXABFS-UHFFFAOYSA-N	-1	1	390.492	2.233	20	30		GEEDMM
CCCCCCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1	ZINC000825270779	608358701	/nfs/dbraw/zinc/35/87/01/608358701.db2.gz	CVTDCUHRNXABFS-UHFFFAOYSA-N	-1	1	390.492	2.233	20	30		GEEDMM
N#Cc1cccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1F	ZINC000826386389	608402978	/nfs/dbraw/zinc/40/29/78/608402978.db2.gz	BTXGDIOGDMWHSR-UHFFFAOYSA-N	-1	1	394.414	2.065	20	30		GEEDMM
Cc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)nn1CCC#N	ZINC000826341063	608475748	/nfs/dbraw/zinc/47/57/48/608475748.db2.gz	VGPILXQSOMZCDA-UHFFFAOYSA-N	-1	1	391.395	2.230	20	30		GEEDMM
Cc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)nn1CCC#N	ZINC000826341063	608475749	/nfs/dbraw/zinc/47/57/49/608475749.db2.gz	VGPILXQSOMZCDA-UHFFFAOYSA-N	-1	1	391.395	2.230	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2cccc(Br)c2Cl)nc1-c1nn[nH]n1	ZINC000826382435	609147371	/nfs/dbraw/zinc/14/73/71/609147371.db2.gz	DVAGBFVQBCGPBA-UHFFFAOYSA-N	-1	1	393.592	2.130	20	30		GEEDMM
Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1-c1cccc(C#N)c1	ZINC000826260507	609162285	/nfs/dbraw/zinc/16/22/85/609162285.db2.gz	RFDDHUAKARTOBG-UHFFFAOYSA-N	-1	1	386.375	2.190	20	30		GEEDMM
N#CCCN(CC1CC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1	ZINC000826381809	609361285	/nfs/dbraw/zinc/36/12/85/609361285.db2.gz	ZUUXRXFQACITDH-UHFFFAOYSA-N	-1	1	395.402	2.349	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2O)cc1Br	ZINC000451236695	650097061	/nfs/dbraw/zinc/09/70/61/650097061.db2.gz	ARXLTTNNLAOZHA-TVQRCGJNSA-N	-1	1	391.262	2.289	20	30		GEEDMM
CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451259487	650098881	/nfs/dbraw/zinc/09/88/81/650098881.db2.gz	YGEBUVNUONGZEF-GFCCVEGCSA-N	-1	1	379.251	2.145	20	30		GEEDMM
CO[C@H](C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(C)C	ZINC000451272552	650099542	/nfs/dbraw/zinc/09/95/42/650099542.db2.gz	MCXGAZLJHRQGKY-GFCCVEGCSA-N	-1	1	379.251	2.409	20	30		GEEDMM
C=CCN(C1CC1)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F	ZINC000451376830	650108703	/nfs/dbraw/zinc/10/87/03/650108703.db2.gz	MUUHEHMTAKMJNT-UHFFFAOYSA-N	-1	1	376.475	2.317	20	30		GEEDMM
CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CC1(CC#N)CC1	ZINC000451497002	650120795	/nfs/dbraw/zinc/12/07/95/650120795.db2.gz	VHRVSWJHSPUSHG-HNNXBMFYSA-N	-1	1	384.885	2.427	20	30		GEEDMM
N#C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1cccc(Cl)c1Cl	ZINC000508393611	650479711	/nfs/dbraw/zinc/47/97/11/650479711.db2.gz	ILTCTNBBNJCMKU-NSHDSACASA-N	-1	1	379.203	2.205	20	30		GEEDMM
C[C@@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000485992674	650704504	/nfs/dbraw/zinc/70/45/04/650704504.db2.gz	IAYGMTXXWDAZJS-LBPRGKRZSA-N	-1	1	375.431	2.045	20	30		GEEDMM
C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1	ZINC000060242176	642835136	/nfs/dbraw/zinc/83/51/36/642835136.db2.gz	ORVLYBOTXMRMRF-SSDOTTSWSA-N	-1	1	389.231	2.026	20	30		GEEDMM
C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1	ZINC000060242176	642835138	/nfs/dbraw/zinc/83/51/38/642835138.db2.gz	ORVLYBOTXMRMRF-SSDOTTSWSA-N	-1	1	389.231	2.026	20	30		GEEDMM
CC[C@H](C#N)S(=O)(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)cc(C(F)(F)F)c1	ZINC000416937078	648217486	/nfs/dbraw/zinc/21/74/86/648217486.db2.gz	IQELIJYRKCCFSS-SNVBAGLBSA-N	-1	1	375.332	2.240	20	30		GEEDMM
Cc1cc(S(=O)(=O)[N-]c2ccc(CCS(C)(=O)=O)cc2)ccc1C#N	ZINC000435730781	648786574	/nfs/dbraw/zinc/78/65/74/648786574.db2.gz	HXUJLDBJXOSIDP-UHFFFAOYSA-N	-1	1	378.475	2.255	20	30		GEEDMM
C[C@@H](C#N)CN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1	ZINC000555072335	651217536	/nfs/dbraw/zinc/21/75/36/651217536.db2.gz	MLJZXGBUUJQQOB-JTQLQIEISA-N	-1	1	390.292	2.422	20	30		GEEDMM
CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H]1O	ZINC000557096080	651262669	/nfs/dbraw/zinc/26/26/69/651262669.db2.gz	PCOZEADYAWAHDU-HIFRSBDPSA-N	-1	1	382.438	2.310	20	30		GEEDMM
CN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCC[C@@H]1C#N	ZINC000601825597	653129165	/nfs/dbraw/zinc/12/91/65/653129165.db2.gz	IZQIUCQYTQWJGS-ZWNOBZJWSA-N	-1	1	390.292	2.422	20	30		GEEDMM
C[C@@H]1CN(C(=O)c2ccc(I)c([O-])c2)C[C@H](C)N1CC#N	ZINC000603101287	653227484	/nfs/dbraw/zinc/22/74/84/653227484.db2.gz	ZIHYGGBBBRUJFL-PHIMTYICSA-N	-1	1	399.232	2.055	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H]1CCCO1	ZINC000809833666	653306560	/nfs/dbraw/zinc/30/65/60/653306560.db2.gz	MLACQAXJIJXOQA-CMPLNLGQSA-N	-1	1	379.221	2.361	20	30		GEEDMM
N#Cc1cccc(CNC(=O)COC(=O)c2ccc(Br)c([O-])c2)c1	ZINC000778826503	653458342	/nfs/dbraw/zinc/45/83/42/653458342.db2.gz	ALFZTHDZDMJPFG-UHFFFAOYSA-N	-1	1	389.205	2.500	20	30		GEEDMM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000859426821	653463429	/nfs/dbraw/zinc/46/34/29/653463429.db2.gz	XXFNZQUVSVKJJL-NSHDSACASA-N	-1	1	391.243	2.064	20	30		GEEDMM
CC(Cc1ccc(F)cc1Br)N=Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000814843315	653640390	/nfs/dbraw/zinc/64/03/90/653640390.db2.gz	SLERDMFDRSGNNV-UHFFFAOYSA-N	-1	1	379.193	2.364	20	30		GEEDMM
N#Cc1ccsc1NC(=O)C(=O)NCc1cccc(Br)c1[O-]	ZINC000815623643	653662184	/nfs/dbraw/zinc/66/21/84/653662184.db2.gz	CPSUNYBWEDODLQ-UHFFFAOYSA-N	-1	1	380.223	2.343	20	30		GEEDMM
C#CC[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)C(=O)OC	ZINC000841541403	653730267	/nfs/dbraw/zinc/73/02/67/653730267.db2.gz	SNACIKIESDADCK-ZCFIWIBFSA-N	-1	1	386.676	2.007	20	30		GEEDMM
COC(=O)c1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)c1	ZINC000789127191	653769372	/nfs/dbraw/zinc/76/93/72/653769372.db2.gz	LJUZAKLVYKUOST-IYKSTZQJSA-N	-1	1	393.189	2.464	20	30		GEEDMM
C=C(C)C[C@H]([N-]S(=O)(=O)c1ncccc1Br)C(=O)OCC	ZINC000882645505	653794519	/nfs/dbraw/zinc/79/45/19/653794519.db2.gz	XNPOIDGNBWYLJS-NSHDSACASA-N	-1	1	377.260	2.020	20	30		GEEDMM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F	ZINC000867222191	653897469	/nfs/dbraw/zinc/89/74/69/653897469.db2.gz	BGEDSKKELSLOQH-LPIGXUFASA-N	-1	1	376.475	2.098	20	30		GEEDMM
C#C[C@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F	ZINC000795954155	653979621	/nfs/dbraw/zinc/97/96/21/653979621.db2.gz	GADOBFOLRMXVJB-SECBINFHSA-N	-1	1	392.246	2.455	20	30		GEEDMM
C#C[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)cc2F)C1	ZINC000848472845	653980011	/nfs/dbraw/zinc/98/00/11/653980011.db2.gz	HTJAVECSBYMXJR-ZDUSSCGKSA-N	-1	1	388.486	2.011	20	30		GEEDMM
C#CC[C@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1Cl)C(=O)OC	ZINC000827683643	654003617	/nfs/dbraw/zinc/00/36/17/654003617.db2.gz	LBGQTJVIKHPAGR-LBPRGKRZSA-N	-1	1	394.674	2.087	20	30		GEEDMM
CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)Cc2csc(C#N)c2)[C@@H]1O	ZINC000916253543	654089166	/nfs/dbraw/zinc/08/91/66/654089166.db2.gz	YVAKXTHYHYXSOM-OCCSQVGLSA-N	-1	1	384.504	2.374	20	30		GEEDMM
C#CCC1(NC(=O)c2ccc(I)cc2[O-])CCOCC1	ZINC000925419610	654544378	/nfs/dbraw/zinc/54/43/78/654544378.db2.gz	DIODOZYSSUNHDO-UHFFFAOYSA-N	-1	1	385.201	2.299	20	30		GEEDMM
C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1	ZINC000926606954	654577706	/nfs/dbraw/zinc/57/77/06/654577706.db2.gz	DDQIOZQPJOATBD-UHFFFAOYSA-N	-1	1	384.885	2.065	20	30		GEEDMM
N#C[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1	ZINC000928230290	654636676	/nfs/dbraw/zinc/63/66/76/654636676.db2.gz	HNCVISYFJFGJPE-SNVBAGLBSA-N	-1	1	376.265	2.034	20	30		GEEDMM
COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1ccc(Br)cc1	ZINC000914012251	654821460	/nfs/dbraw/zinc/82/14/60/654821460.db2.gz	FZLQMZZEZWRLAB-LBPRGKRZSA-N	-1	1	389.271	2.132	20	30		GEEDMM
C=CC[C@H](CC)[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12	ZINC000915199466	654865360	/nfs/dbraw/zinc/86/53/60/654865360.db2.gz	MOVPDCOHMIQLRZ-JTQLQIEISA-N	-1	1	389.275	2.133	20	30		GEEDMM
CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000046543277	531703376	/nfs/dbraw/zinc/70/33/76/531703376.db2.gz	CCQHHCAQAIJYBI-UHFFFAOYSA-N	-1	1	379.463	2.047	20	30		GEEDMM
N#Cc1cc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)ccc1Cl	ZINC000055594327	531796855	/nfs/dbraw/zinc/79/68/55/531796855.db2.gz	ABBZPVKITMWLSA-UHFFFAOYSA-N	-1	1	379.825	2.267	20	30		GEEDMM
CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1S(N)(=O)=O	ZINC000067124666	531876385	/nfs/dbraw/zinc/87/63/85/531876385.db2.gz	MAHGCRXGDMOXDT-UHFFFAOYSA-N	-1	1	399.881	2.222	20	30		GEEDMM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(Br)ccc1[O-]	ZINC000120578386	531983332	/nfs/dbraw/zinc/98/33/32/531983332.db2.gz	KUBDICYHYWHTCQ-UHFFFAOYSA-N	-1	1	378.230	2.036	20	30		GEEDMM
CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1c(C)[n-][nH]c1=O	ZINC000590566346	532377840	/nfs/dbraw/zinc/37/78/40/532377840.db2.gz	YAFXBWMECJWTLP-UHFFFAOYSA-N	-1	1	395.213	2.474	20	30		GEEDMM
C[C@@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000192128257	532387560	/nfs/dbraw/zinc/38/75/60/532387560.db2.gz	XMZVHTMDTTVZIR-JTQLQIEISA-N	-1	1	386.401	2.451	20	30		GEEDMM
C[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C[C@H](C)O	ZINC000295153903	532411604	/nfs/dbraw/zinc/41/16/04/532411604.db2.gz	DNBSSBDCGYPXOA-BDAKNGLRSA-N	-1	1	379.251	2.145	20	30		GEEDMM
CCN(CCNC(=O)c1cc(C#N)c(SC)[n-]c1=O)CCC(F)(F)F	ZINC000427268827	532418401	/nfs/dbraw/zinc/41/84/01/532418401.db2.gz	ZPMWCQAGZAZHBC-UHFFFAOYSA-N	-1	1	376.404	2.385	20	30		GEEDMM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H]1CCOC1	ZINC000295247902	532426351	/nfs/dbraw/zinc/42/63/51/532426351.db2.gz	QCWGGZQHHBRYCB-RKDXNWHRSA-N	-1	1	377.235	2.163	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)c2ccccc2Br)o1	ZINC000561525473	532441659	/nfs/dbraw/zinc/44/16/59/532441659.db2.gz	COJBLQCSCDSPCI-ZDUSSCGKSA-N	-1	1	385.239	2.316	20	30		GEEDMM
COc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F	ZINC000594490901	532512313	/nfs/dbraw/zinc/51/23/13/532512313.db2.gz	WZGIMKSQSXHYFS-SMDDNHRTSA-N	-1	1	378.372	2.345	20	30		GEEDMM
C=CCOCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000594851098	532534640	/nfs/dbraw/zinc/53/46/40/532534640.db2.gz	XBFJKSFFNMCMRC-UHFFFAOYSA-N	-1	1	377.235	2.331	20	30		GEEDMM
N#Cc1ncn(C2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)n1	ZINC000377433351	532658769	/nfs/dbraw/zinc/65/87/69/532658769.db2.gz	SIBVKPHPABMOFR-UHFFFAOYSA-N	-1	1	376.214	2.095	20	30		GEEDMM
N#CCCC[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl	ZINC000273524449	532825424	/nfs/dbraw/zinc/82/54/24/532825424.db2.gz	JWPLMGJGMGELCE-UHFFFAOYSA-N	-1	1	394.634	2.119	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cnn(-c3ccc(C#N)cc3)c2C)o1	ZINC000735451215	599148451	/nfs/dbraw/zinc/14/84/51/599148451.db2.gz	UIRKRYFZTMPNRC-UHFFFAOYSA-N	-1	1	388.395	2.365	20	30		GEEDMM
CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000736700597	599152594	/nfs/dbraw/zinc/15/25/94/599152594.db2.gz	VIRUCWMIXVYRRF-OAHLLOKOSA-N	-1	1	389.419	2.348	20	30		GEEDMM
CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820354222	598225915	/nfs/dbraw/zinc/22/59/15/598225915.db2.gz	NFERBNKMVXCWIS-XOBRGWDASA-N	-1	1	390.459	2.149	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)CCc2ccc(Cl)c(Cl)c2)nc1-c1nn[nH]n1	ZINC000737704459	598285405	/nfs/dbraw/zinc/28/54/05/598285405.db2.gz	GDLKGMGZRSZZSM-UHFFFAOYSA-N	-1	1	377.195	2.340	20	30		GEEDMM
N#C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CCO1	ZINC000737677296	598402493	/nfs/dbraw/zinc/40/24/93/598402493.db2.gz	BNLXPHMXZUGXRF-CQSZACIVSA-N	-1	1	394.366	2.163	20	30		GEEDMM
N#C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)CCO1	ZINC000737677296	598402494	/nfs/dbraw/zinc/40/24/94/598402494.db2.gz	BNLXPHMXZUGXRF-CQSZACIVSA-N	-1	1	394.366	2.163	20	30		GEEDMM
C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000736165184	598423141	/nfs/dbraw/zinc/42/31/41/598423141.db2.gz	SKGHQLFEYZYYQH-ZCFIWIBFSA-N	-1	1	393.194	2.174	20	30		GEEDMM
COC[C@@](C)(C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1	ZINC000821680624	607358759	/nfs/dbraw/zinc/35/87/59/607358759.db2.gz	OUUPDWWZWDKBBG-LJQANCHMSA-N	-1	1	396.382	2.457	20	30		GEEDMM
COC[C@@](C)(C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1	ZINC000821680624	607358761	/nfs/dbraw/zinc/35/87/61/607358761.db2.gz	OUUPDWWZWDKBBG-LJQANCHMSA-N	-1	1	396.382	2.457	20	30		GEEDMM
C#Cc1cccc(N(C)C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1	ZINC000735390323	598659984	/nfs/dbraw/zinc/65/99/84/598659984.db2.gz	XLEJWFHBNANCKQ-UHFFFAOYSA-N	-1	1	376.420	2.161	20	30		GEEDMM
CS(=O)(=O)Nc1cc(F)ccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738163826	600612825	/nfs/dbraw/zinc/61/28/25/600612825.db2.gz	HYSLQESLRIYKMO-OAHLLOKOSA-N	-1	1	392.364	2.052	20	30		GEEDMM
C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000736075772	600899636	/nfs/dbraw/zinc/89/96/36/600899636.db2.gz	HCZRIRQKWSNNEH-UHFFFAOYSA-N	-1	1	379.365	2.345	20	30		GEEDMM
C=CCOc1ccc(/C=C/C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1OC	ZINC000825698781	601095538	/nfs/dbraw/zinc/09/55/38/601095538.db2.gz	JJTWGCQXYJSCBR-BVBGJJFLSA-N	-1	1	388.464	2.281	20	30		GEEDMM
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1C#N	ZINC000832849975	601518028	/nfs/dbraw/zinc/51/80/28/601518028.db2.gz	VHYBSGFRNIFLLR-SJCJKPOMSA-N	-1	1	384.436	2.209	20	30		GEEDMM
NC(=NOCc1ccc(C(=O)[O-])c(F)c1)c1ccc(N2CCC(O)CC2)cc1	ZINC000833078256	601640947	/nfs/dbraw/zinc/64/09/47/601640947.db2.gz	LVFWNVCEDRTKQS-UHFFFAOYSA-N	-1	1	387.411	2.322	20	30		GEEDMM
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](CN(C)C(=O)[O-])C1	ZINC000738611111	602529714	/nfs/dbraw/zinc/52/97/14/602529714.db2.gz	BVWWHZJBIXSRJY-CABCVRRESA-N	-1	1	376.432	2.393	20	30		GEEDMM
C=CCN(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000823904069	607599895	/nfs/dbraw/zinc/59/98/95/607599895.db2.gz	ULOQCRDKONIISM-UHFFFAOYSA-N	-1	1	381.767	2.259	20	30		GEEDMM
C=CCN(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1	ZINC000823904069	607599896	/nfs/dbraw/zinc/59/98/96/607599896.db2.gz	ULOQCRDKONIISM-UHFFFAOYSA-N	-1	1	381.767	2.259	20	30		GEEDMM
Cc1cc(C#N)ccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000826257199	607603577	/nfs/dbraw/zinc/60/35/77/607603577.db2.gz	RTYOQWIJJHYWKZ-UHFFFAOYSA-N	-1	1	375.797	2.468	20	30		GEEDMM
Cc1cc(C#N)ccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1	ZINC000826257199	607603578	/nfs/dbraw/zinc/60/35/78/607603578.db2.gz	RTYOQWIJJHYWKZ-UHFFFAOYSA-N	-1	1	375.797	2.468	20	30		GEEDMM
N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1F	ZINC000826386066	607612430	/nfs/dbraw/zinc/61/24/30/607612430.db2.gz	NPOPQWCRUFQWKG-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)NCCc2ccc(NC(=O)[O-])cc2)c(F)c1	ZINC000831114745	603920864	/nfs/dbraw/zinc/92/08/64/603920864.db2.gz	SXIKWOOUHVELCP-UHFFFAOYSA-N	-1	1	381.360	2.447	20	30		GEEDMM
N#CC(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)c1nc2ccccc2n1C(F)F	ZINC000831064817	604387213	/nfs/dbraw/zinc/38/72/13/604387213.db2.gz	NSFUUHMUTJPFNV-MNOVXSKESA-N	-1	1	378.335	2.377	20	30		GEEDMM
C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCN1C[C@@H](O)c1ccccc1	ZINC000833628911	604607337	/nfs/dbraw/zinc/60/73/37/604607337.db2.gz	CBWHAUQPAGOILJ-IIBYNOLFSA-N	-1	1	379.460	2.496	20	30		GEEDMM
C=CCN1C(=O)c2ccc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)cc2C1=O	ZINC000833376864	605057602	/nfs/dbraw/zinc/05/76/02/605057602.db2.gz	GDPJDXVRFIQDEU-UHFFFAOYSA-N	-1	1	390.355	2.295	20	30		GEEDMM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(OCC(=O)N2CCOCC2)cc1	ZINC000812444897	605101176	/nfs/dbraw/zinc/10/11/76/605101176.db2.gz	OTPNEQNNJSDJQF-UHFFFAOYSA-N	-1	1	397.431	2.459	20	30		GEEDMM
O=C([O-])N1CC[C@@]2(C1)CC(=NNC1=N[C@@H]3CCCC[C@@H]3N1)c1ccccc1O2	ZINC000834085149	605625804	/nfs/dbraw/zinc/62/58/04/605625804.db2.gz	KTYKIEBQTOCMHR-MDOVXXIYSA-N	-1	1	383.452	2.156	20	30		GEEDMM
N#Cc1cccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c1F	ZINC000833978550	605952146	/nfs/dbraw/zinc/95/21/46/605952146.db2.gz	ONOABEGKKFQADD-YOEHRIQHSA-N	-1	1	388.443	2.168	20	30		GEEDMM
N#Cc1ccccc1N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1	ZINC000822842308	606594987	/nfs/dbraw/zinc/59/49/87/606594987.db2.gz	BCZWFXKJJCCEOW-UHFFFAOYSA-N	-1	1	379.449	2.199	20	30		GEEDMM
N#Cc1ccccc1N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1	ZINC000822842308	606594989	/nfs/dbraw/zinc/59/49/89/606594989.db2.gz	BCZWFXKJJCCEOW-UHFFFAOYSA-N	-1	1	379.449	2.199	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NCC2CCN(C(=O)OC(C)(C)C)CC2)o1	ZINC000822423343	606624096	/nfs/dbraw/zinc/62/40/96/606624096.db2.gz	JVEQGWOVUYNCEO-UHFFFAOYSA-N	-1	1	376.421	2.208	20	30		GEEDMM
C[C@H](Cc1ccccc1)n1cccc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000824457195	608354283	/nfs/dbraw/zinc/35/42/83/608354283.db2.gz	HBJROWCFXHQDNG-GFCCVEGCSA-N	-1	1	387.407	2.319	20	30		GEEDMM
COc1cc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)ccc1[N+](=O)[O-]	ZINC000826178874	608883123	/nfs/dbraw/zinc/88/31/23/608883123.db2.gz	PJZRNBBUYLWKRY-UHFFFAOYSA-N	-1	1	386.372	2.416	20	30		GEEDMM
CCC[C@H](C#N)N(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F	ZINC000451020011	650080425	/nfs/dbraw/zinc/08/04/25/650080425.db2.gz	VDWOPIGYQOFIDS-CYBMUJFWSA-N	-1	1	391.490	2.290	20	30		GEEDMM
C=CCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OCC	ZINC000451985617	650161614	/nfs/dbraw/zinc/16/16/14/650161614.db2.gz	DUSPXMZLEFLIHM-NSHDSACASA-N	-1	1	376.818	2.424	20	30		GEEDMM
CCc1nnc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1	ZINC000514852411	650580935	/nfs/dbraw/zinc/58/09/35/650580935.db2.gz	LPOWKMMJQJMEIQ-UHFFFAOYSA-N	-1	1	376.385	2.469	20	30		GEEDMM
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N(CCC#N)CC(F)(F)F)o1	ZINC000482668732	650666449	/nfs/dbraw/zinc/66/64/49/650666449.db2.gz	IZBHAADQSGZNSC-UHFFFAOYSA-N	-1	1	381.376	2.275	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(Br)c(F)c2)o1	ZINC000490507407	650774385	/nfs/dbraw/zinc/77/43/85/650774385.db2.gz	KFOAGVVEMCBQBN-GFCCVEGCSA-N	-1	1	389.202	2.065	20	30		GEEDMM
C=CCCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC	ZINC000535587220	650788821	/nfs/dbraw/zinc/78/88/21/650788821.db2.gz	ZGAOAIPJGKGMTA-UHFFFAOYSA-N	-1	1	390.527	2.434	20	30		GEEDMM
CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000540216229	650860277	/nfs/dbraw/zinc/86/02/77/650860277.db2.gz	JVZKAPCUUGGRTB-UHFFFAOYSA-N	-1	1	387.389	2.009	20	30		GEEDMM
C=CCN(CC(=O)OCC)C(=O)c1ccc(I)c([O-])c1	ZINC000230903981	645402713	/nfs/dbraw/zinc/40/27/13/645402713.db2.gz	NJMOGZRLWFAPKJ-UHFFFAOYSA-N	-1	1	389.189	2.188	20	30		GEEDMM
Cc1cc([O-])c(C(=O)C=Cc2cnc3ccc(Br)cn23)c(=O)o1	ZINC000255730149	645585318	/nfs/dbraw/zinc/58/53/18/645585318.db2.gz	OPNYKCRHTHIBDJ-ABCZVMIZSA-N	-1	1	375.178	2.325	20	30		GEEDMM
N#CC1(CCCS(=O)(=O)c2nnc(Cc3cccs3)[n-]2)CCOCC1	ZINC000281905110	646802214	/nfs/dbraw/zinc/80/22/14/646802214.db2.gz	PTBFLHROPXSKGQ-UHFFFAOYSA-N	-1	1	380.495	2.331	20	30		GEEDMM
N#CC1(CCCS(=O)(=O)c2nc(Cc3cccs3)n[n-]2)CCOCC1	ZINC000281905110	646802217	/nfs/dbraw/zinc/80/22/17/646802217.db2.gz	PTBFLHROPXSKGQ-UHFFFAOYSA-N	-1	1	380.495	2.331	20	30		GEEDMM
N#CC1(CCCS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)CCOCC1	ZINC000281905110	646802221	/nfs/dbraw/zinc/80/22/21/646802221.db2.gz	PTBFLHROPXSKGQ-UHFFFAOYSA-N	-1	1	380.495	2.331	20	30		GEEDMM
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@H]1CCCSC1	ZINC000329859677	647325953	/nfs/dbraw/zinc/32/59/53/647325953.db2.gz	WVJRHZPPENLPEP-LBPRGKRZSA-N	-1	1	386.495	2.144	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]CCc2nc(-c3cccc(Cl)c3)no2)o1	ZINC000376276828	647841037	/nfs/dbraw/zinc/84/10/37/647841037.db2.gz	YYRHSKDUULOXEP-UHFFFAOYSA-N	-1	1	378.797	2.376	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2O)cc1Br	ZINC000408192020	647935373	/nfs/dbraw/zinc/93/53/73/647935373.db2.gz	JTAKJQYYUZHENM-NWDGAFQWSA-N	-1	1	377.235	2.042	20	30		GEEDMM
CC(C)=CCSC[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000548590227	651081285	/nfs/dbraw/zinc/08/12/85/651081285.db2.gz	RNFSGJAHVONDSP-ZDUSSCGKSA-N	-1	1	390.433	2.267	20	30		GEEDMM
O=S(=O)([N-]CC[C@H](O)C(F)(F)F)c1c(F)cccc1OC(F)(F)F	ZINC000553831934	651190005	/nfs/dbraw/zinc/19/00/05/651190005.db2.gz	QBJONFCVPOAOFO-QMMMGPOBSA-N	-1	1	385.257	2.316	20	30		GEEDMM
COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(N)=O)s2)cc1Cl	ZINC000728147522	651538959	/nfs/dbraw/zinc/53/89/59/651538959.db2.gz	HTHCFGQBKKCIAF-VIFPVBQESA-N	-1	1	377.809	2.470	20	30		GEEDMM
CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000614720484	651834903	/nfs/dbraw/zinc/83/49/03/651834903.db2.gz	AYPUAODOLWUECZ-OAHLLOKOSA-N	-1	1	388.221	2.325	20	30		GEEDMM
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2c(Cl)nc3sccn23)cc1	ZINC000746491176	652110597	/nfs/dbraw/zinc/11/05/97/652110597.db2.gz	AOSACVSLLHLLHX-UHFFFAOYSA-N	-1	1	399.841	2.411	20	30		GEEDMM
Cc1cn2c(C=N[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c(C)nc2s1	ZINC000748255163	652196832	/nfs/dbraw/zinc/19/68/32/652196832.db2.gz	OEDFWRMPVBXIGA-UHFFFAOYSA-N	-1	1	379.423	2.233	20	30		GEEDMM
CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000583659400	652493113	/nfs/dbraw/zinc/49/31/13/652493113.db2.gz	SZOXZVNBOSAUID-QPUJVOFHSA-N	-1	1	379.251	2.145	20	30		GEEDMM
C[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)[C@@H](O)C(F)(F)F	ZINC000632673238	652572670	/nfs/dbraw/zinc/57/26/70/652572670.db2.gz	IVCMTUAXNPPKHT-SSDLBLMSSA-N	-1	1	385.257	2.314	20	30		GEEDMM
C=CCN(C(C)C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC	ZINC000761254074	652638614	/nfs/dbraw/zinc/63/86/14/652638614.db2.gz	LDDNUMFIBVFMOX-UHFFFAOYSA-N	-1	1	390.527	2.432	20	30		GEEDMM
CO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)c(Br)c1)[C@@H]1CCOC1	ZINC000594726472	652677161	/nfs/dbraw/zinc/67/71/61/652677161.db2.gz	MEZFCRIQPROGDP-BXUZGUMPSA-N	-1	1	389.271	2.114	20	30		GEEDMM
N#Cc1cc(Br)ccc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1	ZINC000597621892	652784166	/nfs/dbraw/zinc/78/41/66/652784166.db2.gz	BJTJAPRVDHJWFO-UHFFFAOYSA-N	-1	1	377.198	2.429	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br)C(C)(C)C	ZINC000805146846	653102030	/nfs/dbraw/zinc/10/20/30/653102030.db2.gz	NKFXPUIOQBTUBR-JTQLQIEISA-N	-1	1	378.244	2.155	20	30		GEEDMM
O=c1nc(NN=Cc2ccc(OC(F)F)c(Br)c2)nc2[nH][n-]cc1-2	ZINC000768362222	653111384	/nfs/dbraw/zinc/11/13/84/653111384.db2.gz	MJASQMWWXXCMAZ-UHFFFAOYSA-N	-1	1	399.155	2.242	20	30		GEEDMM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C#N)cc2Br)co1	ZINC000778135608	653431621	/nfs/dbraw/zinc/43/16/21/653431621.db2.gz	GOMQVJHMVXPKCV-UHFFFAOYSA-N	-1	1	399.222	2.179	20	30		GEEDMM
O=C(OCCOCC(F)(F)C(F)(F)F)[C@H]1CC[C@@H](C(F)(F)F)[N-]C1=O	ZINC000787631602	653741263	/nfs/dbraw/zinc/74/12/63/653741263.db2.gz	CQLUFZMNFYLHTL-BQBZGAKWSA-N	-1	1	387.223	2.201	20	30		GEEDMM
COC(=O)c1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)c1	ZINC000789127193	653769483	/nfs/dbraw/zinc/76/94/83/653769483.db2.gz	LJUZAKLVYKUOST-LLYBFZRZSA-N	-1	1	393.189	2.464	20	30		GEEDMM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F	ZINC000867222189	653897577	/nfs/dbraw/zinc/89/75/77/653897577.db2.gz	BGEDSKKELSLOQH-HMRZGDFFSA-N	-1	1	376.475	2.098	20	30		GEEDMM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1	ZINC000794581123	653912385	/nfs/dbraw/zinc/91/23/85/653912385.db2.gz	FFNFOOSIOCKUSX-UHFFFAOYSA-N	-1	1	379.463	2.315	20	30		GEEDMM
N#Cc1ccc([N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)c(F)c1	ZINC000794592549	653913047	/nfs/dbraw/zinc/91/30/47/653913047.db2.gz	LFUIHXFKZNZVGR-UHFFFAOYSA-N	-1	1	390.364	2.494	20	30		GEEDMM
COC(=O)c1ccc(Cl)c(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1	ZINC000794855180	653922246	/nfs/dbraw/zinc/92/22/46/653922246.db2.gz	ZKOQMGLICPOHAY-UHFFFAOYSA-N	-1	1	377.809	2.199	20	30		GEEDMM
C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)OCC	ZINC000867588410	653957417	/nfs/dbraw/zinc/95/74/17/653957417.db2.gz	BMQBTLQZSAIDRO-VIFPVBQESA-N	-1	1	386.779	2.453	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)[C@H]1CCCO1	ZINC000795931268	653978199	/nfs/dbraw/zinc/97/81/99/653978199.db2.gz	LHGKICZLSMTMBL-QWHCGFSZSA-N	-1	1	392.260	2.239	20	30		GEEDMM
N#CC[C@H]([N-]S(=O)(=O)c1ccc(Br)c(C#N)c1)C(F)(F)F	ZINC000901947358	654156329	/nfs/dbraw/zinc/15/63/29/654156329.db2.gz	DEOYLWZWPOOXEY-JTQLQIEISA-N	-1	1	382.161	2.444	20	30		GEEDMM
N#Cc1ccc([N-]S(=O)(=O)CC2(F)CC2)c(I)c1	ZINC000903648734	654272630	/nfs/dbraw/zinc/27/26/30/654272630.db2.gz	DVILPKBQZLYAAP-UHFFFAOYSA-N	-1	1	380.182	2.407	20	30		GEEDMM
C=C(Cl)CNS(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1	ZINC000906962288	654493393	/nfs/dbraw/zinc/49/33/93/654493393.db2.gz	ONBOCDOTHMZQRE-UHFFFAOYSA-N	-1	1	384.807	2.329	20	30		GEEDMM
C=C(C)CN(C)S(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1	ZINC000907102287	654510235	/nfs/dbraw/zinc/51/02/35/654510235.db2.gz	YTQONWRFXURNPS-UHFFFAOYSA-N	-1	1	378.416	2.494	20	30		GEEDMM
COC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1ccc(Br)cc1	ZINC000914012250	654821569	/nfs/dbraw/zinc/82/15/69/654821569.db2.gz	FZLQMZZEZWRLAB-GFCCVEGCSA-N	-1	1	389.271	2.132	20	30		GEEDMM
CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](C(N)=O)c1cccc(Br)c1	ZINC000189114480	532350912	/nfs/dbraw/zinc/35/09/12/532350912.db2.gz	ALQFWGVRDKTAIA-HNNXBMFYSA-N	-1	1	388.221	2.325	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3Br)C2)o1	ZINC000557819215	532374729	/nfs/dbraw/zinc/37/47/29/532374729.db2.gz	FAFBKZHYGKAYRV-NSHDSACASA-N	-1	1	396.266	2.471	20	30		GEEDMM
N#Cc1ccncc1N1CCN(C(=O)c2cc(Br)ccc2[O-])CC1	ZINC000557746392	532371774	/nfs/dbraw/zinc/37/17/74/532371774.db2.gz	FLPVLHNLYOJBQD-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@@H](O)C23CCC3)cc1Br	ZINC000594866166	532538448	/nfs/dbraw/zinc/53/84/48/532538448.db2.gz	ZNKWBDSKKOELKL-QWHCGFSZSA-N	-1	1	389.246	2.042	20	30		GEEDMM
Cc1cc(C2([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)CCOCC2)on1	ZINC000599515330	532665205	/nfs/dbraw/zinc/66/52/05/532665205.db2.gz	RTHRCXFSCXCBNT-UHFFFAOYSA-N	-1	1	381.841	2.492	20	30		GEEDMM
N#CCSCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000608826218	532714043	/nfs/dbraw/zinc/71/40/43/532714043.db2.gz	JTHIMTZULDGJCS-UHFFFAOYSA-N	-1	1	375.475	2.360	20	30		GEEDMM
CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(C)(C)O	ZINC000451606688	532766680	/nfs/dbraw/zinc/76/66/80/532766680.db2.gz	OGYFTFHUTBVYGZ-GFCCVEGCSA-N	-1	1	379.251	2.288	20	30		GEEDMM
CC(C)C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)C(=O)Nc1nccs1	ZINC000544724661	532782940	/nfs/dbraw/zinc/78/29/40/532782940.db2.gz	ZGLDPOUPMQMUPA-ZDUSSCGKSA-N	-1	1	384.527	2.500	20	30		GEEDMM
C[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H]1CCCO1	ZINC000330801841	532827363	/nfs/dbraw/zinc/82/73/63/532827363.db2.gz	GXWHHQMILAAPCW-UFBFGSQYSA-N	-1	1	377.235	2.306	20	30		GEEDMM
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C	ZINC000737503278	598840298	/nfs/dbraw/zinc/84/02/98/598840298.db2.gz	GSHDZLHLQMLNDF-UHFFFAOYSA-N	-1	1	385.391	2.188	20	30		GEEDMM
Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C	ZINC000737503278	598840299	/nfs/dbraw/zinc/84/02/99/598840299.db2.gz	GSHDZLHLQMLNDF-UHFFFAOYSA-N	-1	1	385.391	2.188	20	30		GEEDMM
N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(Br)c1	ZINC000737674132	599027074	/nfs/dbraw/zinc/02/70/74/599027074.db2.gz	GQEPWIFQNPLLNV-ZDUSSCGKSA-N	-1	1	384.197	2.019	20	30		GEEDMM
N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(Br)c1	ZINC000737674132	599027076	/nfs/dbraw/zinc/02/70/76/599027076.db2.gz	GQEPWIFQNPLLNV-ZDUSSCGKSA-N	-1	1	384.197	2.019	20	30		GEEDMM
N#Cc1cc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1C(F)(F)F	ZINC000822823131	607344810	/nfs/dbraw/zinc/34/48/10/607344810.db2.gz	LLUZWBDSXMJINQ-UHFFFAOYSA-N	-1	1	377.334	2.107	20	30		GEEDMM
N#Cc1cc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1C(F)(F)F	ZINC000822823131	607344811	/nfs/dbraw/zinc/34/48/11/607344811.db2.gz	LLUZWBDSXMJINQ-UHFFFAOYSA-N	-1	1	377.334	2.107	20	30		GEEDMM
Cc1cc(C)n(N=Cc2cccc(OC(F)(F)F)c2)c(=O)c1-c1nn[n-]n1	ZINC000737255911	598538091	/nfs/dbraw/zinc/53/80/91/598538091.db2.gz	FQCPGGAFURGJAF-UHFFFAOYSA-N	-1	1	378.314	2.426	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000822006208	599542580	/nfs/dbraw/zinc/54/25/80/599542580.db2.gz	YYRAFEBEORGNFK-LBPRGKRZSA-N	-1	1	391.435	2.266	20	30		GEEDMM
N#Cc1ccc(-c2nnc(COC(=O)c3sccc3-c3nn[n-]n3)o2)cc1	ZINC000822822713	599659019	/nfs/dbraw/zinc/65/90/19/599659019.db2.gz	CQTZBONPJJQXAG-UHFFFAOYSA-N	-1	1	379.361	2.207	20	30		GEEDMM
N#Cc1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1	ZINC000524382110	599801367	/nfs/dbraw/zinc/80/13/67/599801367.db2.gz	KOQSWRCWNPUVTC-UHFFFAOYSA-N	-1	1	398.343	2.424	20	30		GEEDMM
CC(C)(C)n1cc(CN2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cn1	ZINC000736305192	600569850	/nfs/dbraw/zinc/56/98/50/600569850.db2.gz	CNAIBQMYCFPFGK-LJQANCHMSA-N	-1	1	381.480	2.453	20	30		GEEDMM
C=CCc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc(OC)c1OC	ZINC000630221840	601092815	/nfs/dbraw/zinc/09/28/15/601092815.db2.gz	CPIQWHVMOMVFAG-CQSZACIVSA-N	-1	1	376.453	2.053	20	30		GEEDMM
CC(C)[C@H](CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)NC(=O)[O-]	ZINC000738784932	602849666	/nfs/dbraw/zinc/84/96/66/602849666.db2.gz	MICLBGODUYSZCG-SFHVURJKSA-N	-1	1	387.484	2.068	20	30		GEEDMM
N#Cc1ccc(F)c(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1	ZINC000826385462	607651796	/nfs/dbraw/zinc/65/17/96/607651796.db2.gz	NLFMYCBEIMBKIP-UHFFFAOYSA-N	-1	1	392.803	2.009	20	30		GEEDMM
N#Cc1ccc(F)c(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1	ZINC000826385462	607651797	/nfs/dbraw/zinc/65/17/97/607651797.db2.gz	NLFMYCBEIMBKIP-UHFFFAOYSA-N	-1	1	392.803	2.009	20	30		GEEDMM
Cc1cc(C(=O)OCCc2c(C(=O)[O-])[nH]n(-c3ccc(C#N)cc3)c2=O)oc1C	ZINC000832868311	604701440	/nfs/dbraw/zinc/70/14/40/604701440.db2.gz	QDEGCWLLUDEZJE-UHFFFAOYSA-N	-1	1	395.371	2.345	20	30		GEEDMM
COc1ccc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c(OC)c1C(=O)[O-]	ZINC000833734747	604862037	/nfs/dbraw/zinc/86/20/37/604862037.db2.gz	VOTJHJACGNPCAA-UHFFFAOYSA-N	-1	1	380.353	2.214	20	30		GEEDMM
Cc1ccc(C#N)cc1S(=O)(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)[O-])CC2	ZINC000833902592	606078631	/nfs/dbraw/zinc/07/86/31/606078631.db2.gz	YZLUQIIRJKVIMV-AWEZNQCLSA-N	-1	1	386.433	2.187	20	30		GEEDMM
C=CCCCC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000819734083	606252243	/nfs/dbraw/zinc/25/22/43/606252243.db2.gz	HTKPDQKXMXIAKB-UHFFFAOYSA-N	-1	1	383.412	2.120	20	30		GEEDMM
CN(C)S(=O)(=O)c1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1	ZINC000821588405	606390637	/nfs/dbraw/zinc/39/06/37/606390637.db2.gz	QRPHNJNDKWMFQG-SOFGYWHQSA-N	-1	1	389.462	2.075	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(NC(=O)OC(C)(C)C)nc2)o1	ZINC000822424574	606703027	/nfs/dbraw/zinc/70/30/27/606703027.db2.gz	XFWCXLRUDUCNIQ-UHFFFAOYSA-N	-1	1	385.388	2.351	20	30		GEEDMM
N#Cc1cccc(OC2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1	ZINC000822837683	606708646	/nfs/dbraw/zinc/70/86/46/606708646.db2.gz	RPVGPFSCRFUMCZ-UHFFFAOYSA-N	-1	1	392.379	2.089	20	30		GEEDMM
N#Cc1cccc(OC2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c1	ZINC000822837683	606708648	/nfs/dbraw/zinc/70/86/48/606708648.db2.gz	RPVGPFSCRFUMCZ-UHFFFAOYSA-N	-1	1	392.379	2.089	20	30		GEEDMM
CC[C@H](C#N)Oc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1	ZINC000820843219	606710714	/nfs/dbraw/zinc/71/07/14/606710714.db2.gz	VOSREVFXBMDZOG-GFCCVEGCSA-N	-1	1	380.368	2.463	20	30		GEEDMM
CC[C@H](C#N)Oc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1	ZINC000820843219	606710715	/nfs/dbraw/zinc/71/07/15/606710715.db2.gz	VOSREVFXBMDZOG-GFCCVEGCSA-N	-1	1	380.368	2.463	20	30		GEEDMM
Cc1cc(C)n2c(CN=Nc3oc(CC(C)C)nc3-c3nn[n-]n3)cnc2n1	ZINC000826265692	607886783	/nfs/dbraw/zinc/88/67/83/607886783.db2.gz	JJYKMVLJMWZLCE-UHFFFAOYSA-N	-1	1	380.416	2.159	20	30		GEEDMM
CC(C)Cc1nc(-c2nn[nH]n2)c(N=NCc2[nH]nc3cc(C(=O)[O-])ccc32)o1	ZINC000824280633	608228520	/nfs/dbraw/zinc/22/85/20/608228520.db2.gz	ROFYCBYUSYGTRT-UHFFFAOYSA-N	-1	1	395.383	2.074	20	30		GEEDMM
CC(C)(C)c1nc(-c2nn[nH]n2)c(N=NCc2[nH]nc3cc(C(=O)[O-])ccc32)o1	ZINC000824142836	608228575	/nfs/dbraw/zinc/22/85/75/608228575.db2.gz	XHARUBYWBRUDDK-UHFFFAOYSA-N	-1	1	395.383	2.173	20	30		GEEDMM
N#Cc1cccc(-c2c[nH]c(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])n2)c1	ZINC000826386773	608410350	/nfs/dbraw/zinc/41/03/50/608410350.db2.gz	SEIJWJXJJGNCPH-UHFFFAOYSA-N	-1	1	388.351	2.044	20	30		GEEDMM
N#Cc1cccc(-c2c[nH]c(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])n2)c1	ZINC000826386773	608410351	/nfs/dbraw/zinc/41/03/51/608410351.db2.gz	SEIJWJXJJGNCPH-UHFFFAOYSA-N	-1	1	388.351	2.044	20	30		GEEDMM
COc1cc(O)c(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1OC	ZINC000826181131	608534477	/nfs/dbraw/zinc/53/44/77/608534477.db2.gz	LYMFIONABJUSHO-UHFFFAOYSA-N	-1	1	387.400	2.321	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NCc2c(Cl)n(C)nc2C(F)(F)F)o1	ZINC000826323322	609374443	/nfs/dbraw/zinc/37/44/43/609374443.db2.gz	ZQPDXZVWQNQCDY-UHFFFAOYSA-N	-1	1	375.702	2.015	20	30		GEEDMM
C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC	ZINC000451994045	650163190	/nfs/dbraw/zinc/16/31/90/650163190.db2.gz	NPNHCPHICIARGU-LLVKDONJSA-N	-1	1	376.818	2.424	20	30		GEEDMM
Cc1ccc(NS(C)(=O)=O)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1	ZINC000460836167	650446536	/nfs/dbraw/zinc/44/65/36/650446536.db2.gz	JSXQGFOYUOFGOP-UHFFFAOYSA-N	-1	1	379.463	2.347	20	30		GEEDMM
CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(SCC#N)c2)c1	ZINC000461462743	650454576	/nfs/dbraw/zinc/45/45/76/650454576.db2.gz	AASATTPRPSJEQC-UHFFFAOYSA-N	-1	1	377.447	2.168	20	30		GEEDMM
COC(=O)[C@H]([N-]S(=O)(=O)N(C)[C@@H](C)CC#N)c1ccc(Cl)cc1Cl	ZINC000509220482	650490314	/nfs/dbraw/zinc/49/03/14/650490314.db2.gz	XEXWYXCDNIPEKV-TVQRCGJNSA-N	-1	1	394.280	2.276	20	30		GEEDMM
C=CCN(CC=C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC	ZINC000534147748	650769368	/nfs/dbraw/zinc/76/93/68/650769368.db2.gz	ZUOCXGSVRKPQRO-UHFFFAOYSA-N	-1	1	388.511	2.210	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-][C@@H]2CCN(c3ccccc3Cl)C2=O)CCCC1	ZINC000546063456	650989932	/nfs/dbraw/zinc/98/99/32/650989932.db2.gz	HSKHQYFQHVILMP-CQSZACIVSA-N	-1	1	381.885	2.449	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)cc1Br	ZINC000408457409	647954457	/nfs/dbraw/zinc/95/44/57/647954457.db2.gz	BDNYGXZBGWLHNK-WQAKAFBOSA-N	-1	1	389.246	2.306	20	30		GEEDMM
CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)[C@@H](C)C#N	ZINC000416425095	648123498	/nfs/dbraw/zinc/12/34/98/648123498.db2.gz	CAARUBMXFLTMSM-ZANVPECISA-N	-1	1	379.265	2.299	20	30		GEEDMM
C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)O1	ZINC000416538373	648165136	/nfs/dbraw/zinc/16/51/36/648165136.db2.gz	WHHMMZYDWVKZRR-WCBMZHEXSA-N	-1	1	377.235	2.306	20	30		GEEDMM
CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cs1	ZINC000443373709	648874636	/nfs/dbraw/zinc/87/46/36/648874636.db2.gz	OJFBVRWVMMSQFQ-VIFPVBQESA-N	-1	1	382.423	2.109	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]CCC(=O)Nc2ccc(Br)cc2)o1	ZINC000553457112	651176511	/nfs/dbraw/zinc/17/65/11/651176511.db2.gz	SNYMUNCDFIHCGZ-UHFFFAOYSA-N	-1	1	398.238	2.221	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Br)c3)C2)o1	ZINC000557846415	651274841	/nfs/dbraw/zinc/27/48/41/651274841.db2.gz	YFUHTGNYRHAWPH-GFCCVEGCSA-N	-1	1	396.266	2.471	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)CCC1	ZINC000603421273	651489402	/nfs/dbraw/zinc/48/94/02/651489402.db2.gz	DFMREXJIUKFTOD-UONOGXRCSA-N	-1	1	376.400	2.134	20	30		GEEDMM
O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCC#Cc1ccccc1	ZINC000643644483	651492082	/nfs/dbraw/zinc/49/20/82/651492082.db2.gz	MYDLZGCCNNEQOL-UHFFFAOYSA-N	-1	1	397.283	2.440	20	30		GEEDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)o1	ZINC000609287059	651615121	/nfs/dbraw/zinc/61/51/21/651615121.db2.gz	DIWQZCFMSGWOGL-JTQLQIEISA-N	-1	1	388.232	2.489	20	30		GEEDMM
N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1	ZINC000732309676	651653179	/nfs/dbraw/zinc/65/31/79/651653179.db2.gz	QXPLTNJSVRVQHP-UHFFFAOYSA-N	-1	1	379.825	2.490	20	30		GEEDMM
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2occc2Br)cc1	ZINC000735229979	651773358	/nfs/dbraw/zinc/77/33/58/651773358.db2.gz	VHZPMWJENGPARY-UHFFFAOYSA-N	-1	1	388.199	2.404	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)CC2)cc1Br	ZINC000590750920	652580364	/nfs/dbraw/zinc/58/03/64/652580364.db2.gz	ATBFRVAGZCHMIR-JGZJWPJOSA-N	-1	1	391.262	2.289	20	30		GEEDMM
C[C@H](C#N)N(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1	ZINC000598122653	652799627	/nfs/dbraw/zinc/79/96/27/652799627.db2.gz	FCUFGTIMXXZSMS-SECBINFHSA-N	-1	1	376.265	2.175	20	30		GEEDMM
O=S(=O)(NN=Cc1cc(O)c([O-])c(Br)c1)c1ccc(F)cc1	ZINC000764723248	652810493	/nfs/dbraw/zinc/81/04/93/652810493.db2.gz	RLZBOYVSTKBZMG-UHFFFAOYSA-N	-1	1	389.202	2.312	20	30		GEEDMM
CCCOc1c(Br)cc(C=Nn2c(=O)cn[n-]c2=S)cc1OC	ZINC000766481930	652881936	/nfs/dbraw/zinc/88/19/36/652881936.db2.gz	FNPJIOKKYMVVET-UHFFFAOYSA-N	-1	1	399.270	2.369	20	30		GEEDMM
C[C@H]1CN(C(=O)c2ccc(I)c([O-])c2)C[C@H](C)N1CC#N	ZINC000603101288	653227435	/nfs/dbraw/zinc/22/74/35/653227435.db2.gz	ZIHYGGBBBRUJFL-QWRGUYRKSA-N	-1	1	399.232	2.055	20	30		GEEDMM
N#CCN1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1	ZINC000809815241	653298699	/nfs/dbraw/zinc/29/86/99/653298699.db2.gz	DATGLWCHPRNLIJ-UHFFFAOYSA-N	-1	1	393.252	2.168	20	30		GEEDMM
O=S1(=O)[N-]/C(=N/Cc2nc(-c3ncsc3Cl)no2)c2ccccc21	ZINC000812816252	653443674	/nfs/dbraw/zinc/44/36/74/653443674.db2.gz	DHWZZXRCPCKCJM-UHFFFAOYSA-N	-1	1	381.826	2.085	20	30		GEEDMM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000859425885	653462996	/nfs/dbraw/zinc/46/29/96/653462996.db2.gz	WUCOIKKSTBSMRA-LLVKDONJSA-N	-1	1	389.246	2.167	20	30		GEEDMM
Cc1cc(Br)c([O-])c(C=NNc2nc3c(cnn3C)c(=O)[nH]2)c1	ZINC000781594076	653645073	/nfs/dbraw/zinc/64/50/73/653645073.db2.gz	AYEHOVGBHIADAM-UHFFFAOYSA-N	-1	1	377.202	2.291	20	30		GEEDMM
O=C(OCCOCC(F)(F)C(F)(F)F)[C@H]1CC[C@H](C(F)(F)F)[N-]C1=O	ZINC000787631603	653741187	/nfs/dbraw/zinc/74/11/87/653741187.db2.gz	CQLUFZMNFYLHTL-NKWVEPMBSA-N	-1	1	387.223	2.201	20	30		GEEDMM
COc1ncc(C(C)=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl	ZINC000789023205	653768228	/nfs/dbraw/zinc/76/82/28/653768228.db2.gz	JBQSZLBNCBOXDV-UHFFFAOYSA-N	-1	1	384.801	2.354	20	30		GEEDMM
C[C@@H](CC#N)[N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1	ZINC000866673845	653809462	/nfs/dbraw/zinc/80/94/62/653809462.db2.gz	JQRHADSRPUBJBI-ZRNGKTOUSA-N	-1	1	380.289	2.042	20	30		GEEDMM
CC(C)(C)OC(=O)NCC(F)(F)C[N-]S(=O)(=O)c1ccsc1C#N	ZINC000845912681	653870031	/nfs/dbraw/zinc/87/00/31/653870031.db2.gz	JZIYXYXVPDAAMQ-UHFFFAOYSA-N	-1	1	381.426	2.058	20	30		GEEDMM
CC(C)(C)OC(=O)NCC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(F)F	ZINC000845945601	653871917	/nfs/dbraw/zinc/87/19/17/653871917.db2.gz	ZPLUWOCMGDKGRX-VIFPVBQESA-N	-1	1	395.453	2.447	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)CC)c1ccc(Br)cc1	ZINC000867316946	653914852	/nfs/dbraw/zinc/91/48/52/653914852.db2.gz	BAKAFPQSZCKMBR-CWTRNNRKSA-N	-1	1	379.301	2.076	20	30		GEEDMM
CCS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cccc(F)c2C#N)s1	ZINC000795200648	653938411	/nfs/dbraw/zinc/93/84/11/653938411.db2.gz	OMDVBURDUVMGRZ-UHFFFAOYSA-N	-1	1	388.467	2.031	20	30		GEEDMM
C=CCC1([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CCOCC1	ZINC000867511874	653942720	/nfs/dbraw/zinc/94/27/20/653942720.db2.gz	ADIRCYUXGWOPLK-QHCPKHFHSA-N	-1	1	376.475	2.242	20	30		GEEDMM
C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)OCC	ZINC000867591693	653957881	/nfs/dbraw/zinc/95/78/81/653957881.db2.gz	BCKBUCIANXNEFL-SNVBAGLBSA-N	-1	1	386.779	2.453	20	30		GEEDMM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C	ZINC000795620711	653961028	/nfs/dbraw/zinc/96/10/28/653961028.db2.gz	PSYRCJLWELWWSM-ZDUSSCGKSA-N	-1	1	380.875	2.094	20	30		GEEDMM
C#C[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1	ZINC000848290664	653969145	/nfs/dbraw/zinc/96/91/45/653969145.db2.gz	DQAXFYULLJHMPJ-LLVKDONJSA-N	-1	1	375.277	2.144	20	30		GEEDMM
C#CC1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)cc2F)CC1	ZINC000828110034	654023165	/nfs/dbraw/zinc/02/31/65/654023165.db2.gz	NQSZPLOHNANPEH-UHFFFAOYSA-N	-1	1	388.486	2.011	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2COC3(CCC3)C2)cc1Br	ZINC000849448667	654038017	/nfs/dbraw/zinc/03/80/17/654038017.db2.gz	JIZUSPYWVMJOKE-JTQLQIEISA-N	-1	1	389.246	2.450	20	30		GEEDMM
CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)c1	ZINC000901771841	654148048	/nfs/dbraw/zinc/14/80/48/654148048.db2.gz	MSEYVWVAXZQXAJ-LLVKDONJSA-N	-1	1	383.779	2.131	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C1CCOCC1	ZINC000851829629	654185548	/nfs/dbraw/zinc/18/55/48/654185548.db2.gz	OJVPMCWZJAJOFR-CYBMUJFWSA-N	-1	1	376.247	2.295	20	30		GEEDMM
C#CCC1(NC(=O)c2ccc(I)c([O-])c2)CCOCC1	ZINC000925426706	654544288	/nfs/dbraw/zinc/54/42/88/654544288.db2.gz	QVJNTRUPMNTJKQ-UHFFFAOYSA-N	-1	1	385.201	2.299	20	30		GEEDMM
CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1csc(C#N)c1	ZINC000913962648	654818853	/nfs/dbraw/zinc/81/88/53/654818853.db2.gz	FJBMABHHYYLBFZ-MRXNPFEDSA-N	-1	1	378.475	2.214	20	30		GEEDMM
N#Cc1cc(CS(=O)(=O)[N-]C[C@](O)(c2ccccc2)C(F)(F)F)cs1	ZINC000914151857	654829986	/nfs/dbraw/zinc/82/99/86/654829986.db2.gz	OFZABWPYTJDDDF-AWEZNQCLSA-N	-1	1	390.408	2.489	20	30		GEEDMM
C=C(C)COCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000133087040	532226696	/nfs/dbraw/zinc/22/66/96/532226696.db2.gz	CTMXCPYITDSCOW-UHFFFAOYSA-N	-1	1	379.232	2.228	20	30		GEEDMM
C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295153907	532411548	/nfs/dbraw/zinc/41/15/48/532411548.db2.gz	DNBSSBDCGYPXOA-IUCAKERBSA-N	-1	1	379.251	2.145	20	30		GEEDMM
N#Cc1ccncc1N1CCN(C(=O)c2ccc(Br)cc2[O-])CC1	ZINC000561339619	532435158	/nfs/dbraw/zinc/43/51/58/532435158.db2.gz	ZYLOAQXDEVVTPY-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]CCCOc2ccc(C(F)(F)F)cn2)o1	ZINC000561528620	532443494	/nfs/dbraw/zinc/44/34/94/532443494.db2.gz	HFMFWWCFCFMYTN-UHFFFAOYSA-N	-1	1	375.328	2.312	20	30		GEEDMM
Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)n1	ZINC000284717499	532613858	/nfs/dbraw/zinc/61/38/58/532613858.db2.gz	RAIRBZMDSZYITB-UHFFFAOYSA-N	-1	1	385.243	2.226	20	30		GEEDMM
N#Cc1cncc(S(=O)(=O)Nc2cc(Br)cc(C(=O)[O-])c2)c1	ZINC000320285041	532787767	/nfs/dbraw/zinc/78/77/67/532787767.db2.gz	BXPCNJMTUUEYPD-UHFFFAOYSA-N	-1	1	382.195	2.215	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CC23CCOCC3)cc1Br	ZINC000333136423	532864807	/nfs/dbraw/zinc/86/48/07/532864807.db2.gz	XVCBYLXXXGULLQ-ZDUSSCGKSA-N	-1	1	389.246	2.307	20	30		GEEDMM
C=CCN(Cc1cccs1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000735426636	599032695	/nfs/dbraw/zinc/03/26/95/599032695.db2.gz	UCGPRALSKIOANX-UHFFFAOYSA-N	-1	1	379.442	2.444	20	30		GEEDMM
C=CCN(Cc1cccs1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000735426636	599032696	/nfs/dbraw/zinc/03/26/96/599032696.db2.gz	UCGPRALSKIOANX-UHFFFAOYSA-N	-1	1	379.442	2.444	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2CNC(=O)OC(C)(C)C)o1	ZINC000737467729	599128700	/nfs/dbraw/zinc/12/87/00/599128700.db2.gz	RPFQOOQZNTXLQP-JTQLQIEISA-N	-1	1	376.421	2.256	20	30		GEEDMM
N#Cc1cccnc1N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1	ZINC000737727182	599263291	/nfs/dbraw/zinc/26/32/91/599263291.db2.gz	FFFORPFFISNDBW-UHFFFAOYSA-N	-1	1	383.419	2.008	20	30		GEEDMM
N#Cc1cccnc1N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1	ZINC000737727182	599263293	/nfs/dbraw/zinc/26/32/93/599263293.db2.gz	FFFORPFFISNDBW-UHFFFAOYSA-N	-1	1	383.419	2.008	20	30		GEEDMM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1	ZINC000819824125	597647003	/nfs/dbraw/zinc/64/70/03/597647003.db2.gz	XTQPVFOTZAZISX-RHSMWYFYSA-N	-1	1	383.370	2.400	20	30		GEEDMM
CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820354220	598225883	/nfs/dbraw/zinc/22/58/83/598225883.db2.gz	NFERBNKMVXCWIS-VBKZILBWSA-N	-1	1	390.459	2.149	20	30		GEEDMM
Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1ccc(C#N)cc1F	ZINC000737546235	598303576	/nfs/dbraw/zinc/30/35/76/598303576.db2.gz	BJQRHUPMXJSVLY-UHFFFAOYSA-N	-1	1	391.366	2.500	20	30		GEEDMM
Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1ccc(C#N)cc1F	ZINC000737546235	598303577	/nfs/dbraw/zinc/30/35/77/598303577.db2.gz	BJQRHUPMXJSVLY-UHFFFAOYSA-N	-1	1	391.366	2.500	20	30		GEEDMM
COC(=O)c1ccc(O)c(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c1	ZINC000736949952	598363282	/nfs/dbraw/zinc/36/32/82/598363282.db2.gz	WMMWICOMHOULTQ-UHFFFAOYSA-N	-1	1	385.384	2.090	20	30		GEEDMM
N#CCN(CC#N)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1	ZINC000737692763	598402300	/nfs/dbraw/zinc/40/23/00/598402300.db2.gz	JEAXBEMQHBDLAR-UHFFFAOYSA-N	-1	1	377.339	2.287	20	30		GEEDMM
N#CCN(CC#N)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1	ZINC000737692763	598402302	/nfs/dbraw/zinc/40/23/02/598402302.db2.gz	JEAXBEMQHBDLAR-UHFFFAOYSA-N	-1	1	377.339	2.287	20	30		GEEDMM
Cc1ccccc1-c1nc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cs1	ZINC000737417196	598472102	/nfs/dbraw/zinc/47/21/02/598472102.db2.gz	HJWYTLCFXXRJJZ-UHFFFAOYSA-N	-1	1	377.393	2.146	20	30		GEEDMM
C#Cc1ccc(C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)nc1	ZINC000735390094	598780240	/nfs/dbraw/zinc/78/02/40/598780240.db2.gz	OGLPUMFKHXGXLS-UHFFFAOYSA-N	-1	1	385.387	2.094	20	30		GEEDMM
C[C@@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccc(Br)s1	ZINC000819877070	599312411	/nfs/dbraw/zinc/31/24/11/599312411.db2.gz	NXQPYARKGWGJQT-RXMQYKEDSA-N	-1	1	393.230	2.028	20	30		GEEDMM
Cc1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)ccc1NC(=O)CC(C)C	ZINC000822182921	599314131	/nfs/dbraw/zinc/31/41/31/599314131.db2.gz	DSPUAETYGZWLJJ-UHFFFAOYSA-N	-1	1	393.411	2.007	20	30		GEEDMM
CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(-c3cccnc3)n[nH]2)o1	ZINC000820108030	599336196	/nfs/dbraw/zinc/33/61/96/599336196.db2.gz	FTSUQLZQYYZWTE-UHFFFAOYSA-N	-1	1	378.400	2.284	20	30		GEEDMM
Cc1cc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)ccc1-n1cncn1	ZINC000822198690	599337393	/nfs/dbraw/zinc/33/73/93/599337393.db2.gz	GRIPUQIEGQNXRO-UHFFFAOYSA-N	-1	1	392.427	2.388	20	30		GEEDMM
O=S(=O)(c1ccc(NN=Cc2ccc(-c3nnn[n-]3)o2)cc1)C(F)(F)F	ZINC000823606239	599339408	/nfs/dbraw/zinc/33/94/08/599339408.db2.gz	HFRMFJYPLWPHOO-UHFFFAOYSA-N	-1	1	386.315	2.199	20	30		GEEDMM
O=S(=O)(c1ccc(NN=Cc2ccc(-c3nn[n-]n3)o2)cc1)C(F)(F)F	ZINC000823606239	599339409	/nfs/dbraw/zinc/33/94/09/599339409.db2.gz	HFRMFJYPLWPHOO-UHFFFAOYSA-N	-1	1	386.315	2.199	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)nc1-c1nn[nH]n1	ZINC000737721545	599604439	/nfs/dbraw/zinc/60/44/39/599604439.db2.gz	LDFLJQRJVQRLRS-UHFFFAOYSA-N	-1	1	396.374	2.329	20	30		GEEDMM
N#Cc1ccc([C@H](C(=O)[O-])N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1	ZINC000739103617	600563040	/nfs/dbraw/zinc/56/30/40/600563040.db2.gz	CADQGTRLZVAXBF-OAQYLSRUSA-N	-1	1	393.443	2.273	20	30		GEEDMM
CCN1CCN(CC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC1	ZINC000829776974	600879477	/nfs/dbraw/zinc/87/94/77/600879477.db2.gz	ZRFXYSCJZKWSRO-UHFFFAOYSA-N	-1	1	391.471	2.361	20	30		GEEDMM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3nccn3C(F)F)CC2)cc1	ZINC000833072508	601607515	/nfs/dbraw/zinc/60/75/15/601607515.db2.gz	UBILVZBZTFXHTL-INIZCTEOSA-N	-1	1	375.379	2.093	20	30		GEEDMM
COc1sc(CN=Nc2oc(C)nc2-c2nn[n-]n2)cc1Br	ZINC000826222285	607531079	/nfs/dbraw/zinc/53/10/79/607531079.db2.gz	QMTUUZCRYNEFPS-UHFFFAOYSA-N	-1	1	384.219	2.442	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c(F)c1	ZINC000833069641	601980617	/nfs/dbraw/zinc/98/06/17/601980617.db2.gz	JUXYLZKNPGMMHI-CQSZACIVSA-N	-1	1	384.335	2.470	20	30		GEEDMM
CCOc1cc(C#N)ccc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1	ZINC000825615816	607576530	/nfs/dbraw/zinc/57/65/30/607576530.db2.gz	LWYBPEIHCYTEQN-UHFFFAOYSA-N	-1	1	389.368	2.044	20	30		GEEDMM
CCOc1cc(C#N)ccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000825615816	607576532	/nfs/dbraw/zinc/57/65/32/607576532.db2.gz	LWYBPEIHCYTEQN-UHFFFAOYSA-N	-1	1	389.368	2.044	20	30		GEEDMM
CCOc1ccccc1NC(=O)C(C#N)C(=O)c1csc(CNC(=O)[O-])n1	ZINC000739510320	602727940	/nfs/dbraw/zinc/72/79/40/602727940.db2.gz	OFKIGFSNWBHDDG-SNVBAGLBSA-N	-1	1	388.405	2.271	20	30		GEEDMM
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1csc(CNC(=O)[O-])n1	ZINC000739510320	602727942	/nfs/dbraw/zinc/72/79/42/602727942.db2.gz	OFKIGFSNWBHDDG-SNVBAGLBSA-N	-1	1	388.405	2.271	20	30		GEEDMM
Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1	ZINC000826256994	607603492	/nfs/dbraw/zinc/60/34/92/607603492.db2.gz	JLYXWPSJIRFKTK-UHFFFAOYSA-N	-1	1	375.797	2.468	20	30		GEEDMM
COc1ccc(Br)c(CN=Nc2oc(C)nc2-c2nn[n-]n2)c1	ZINC000826186979	607652845	/nfs/dbraw/zinc/65/28/45/607652845.db2.gz	SZCXOJRCDLEGIZ-UHFFFAOYSA-N	-1	1	378.190	2.380	20	30		GEEDMM
N#CC(C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])c1nnc2n1CCCCC2	ZINC000831063990	604227791	/nfs/dbraw/zinc/22/77/91/604227791.db2.gz	ALFZZXWHLGMWDA-HZPDHXFCSA-N	-1	1	381.436	2.450	20	30		GEEDMM
N#CC(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)c1nc2ccccc2n1C(F)F	ZINC000831064818	604387746	/nfs/dbraw/zinc/38/77/46/604387746.db2.gz	NSFUUHMUTJPFNV-QWRGUYRKSA-N	-1	1	378.335	2.377	20	30		GEEDMM
C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCN1C[C@H](O)c1ccccc1	ZINC000833628909	604607356	/nfs/dbraw/zinc/60/73/56/604607356.db2.gz	CBWHAUQPAGOILJ-IERDGZPVSA-N	-1	1	379.460	2.496	20	30		GEEDMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	ZINC000833623789	605158461	/nfs/dbraw/zinc/15/84/61/605158461.db2.gz	GGWNAGKFOQVGOL-OAHLLOKOSA-N	-1	1	394.431	2.367	20	30		GEEDMM
C#CCN1CCC(C(=O)N(C)[C@@H](C(=O)[O-])c2cccc(Br)c2)CC1	ZINC000833364175	605176812	/nfs/dbraw/zinc/17/68/12/605176812.db2.gz	GKJSTGXJEQNERX-MRXNPFEDSA-N	-1	1	393.281	2.378	20	30		GEEDMM
Cn1cc(-c2csc(=NC3CC3)n2N=Cc2ccc(-c3nn[n-]n3)s2)cn1	ZINC000822604778	606400070	/nfs/dbraw/zinc/40/00/70/606400070.db2.gz	KHCQXVIPQNVVJV-UHFFFAOYSA-N	-1	1	397.493	2.137	20	30		GEEDMM
CCCCCCCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C	ZINC000821048939	606822434	/nfs/dbraw/zinc/82/24/34/606822434.db2.gz	GWXLDQGKWUAWTP-OAHLLOKOSA-N	-1	1	386.504	2.444	20	30		GEEDMM
CCCCCCCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C	ZINC000821048939	606822435	/nfs/dbraw/zinc/82/24/35/606822435.db2.gz	GWXLDQGKWUAWTP-OAHLLOKOSA-N	-1	1	386.504	2.444	20	30		GEEDMM
CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C	ZINC000821309511	607032482	/nfs/dbraw/zinc/03/24/82/607032482.db2.gz	ONERRGWVDNHKRY-UHFFFAOYSA-N	-1	1	383.437	2.279	20	30		GEEDMM
CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cc(C#N)ccc1C(F)(F)F	ZINC000821601436	607226285	/nfs/dbraw/zinc/22/62/85/607226285.db2.gz	HGWCHADZSZLQCO-UHFFFAOYSA-N	-1	1	391.361	2.131	20	30		GEEDMM
CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cc(C#N)ccc1C(F)(F)F	ZINC000821601436	607226286	/nfs/dbraw/zinc/22/62/86/607226286.db2.gz	HGWCHADZSZLQCO-UHFFFAOYSA-N	-1	1	391.361	2.131	20	30		GEEDMM
C=CCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC	ZINC000447863102	650009733	/nfs/dbraw/zinc/00/97/33/650009733.db2.gz	KUVUNKCIVIHPAL-UHFFFAOYSA-N	-1	1	376.500	2.091	20	30		GEEDMM
C=CCCOCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451335620	650104755	/nfs/dbraw/zinc/10/47/55/650104755.db2.gz	DHBNLOZHMIZOSZ-UHFFFAOYSA-N	-1	1	377.235	2.331	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](CO)C2CCCC2)cc1Br	ZINC000451565555	650125796	/nfs/dbraw/zinc/12/57/96/650125796.db2.gz	LDLZOBUVYVBYHW-CYBMUJFWSA-N	-1	1	391.262	2.289	20	30		GEEDMM
C=CC(C)(C)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC	ZINC000451816111	650144768	/nfs/dbraw/zinc/14/47/68/650144768.db2.gz	YDFSVRSWZOWPHI-UHFFFAOYSA-N	-1	1	390.527	2.337	20	30		GEEDMM
Cc1ccc(NS(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1	ZINC000460830672	650446244	/nfs/dbraw/zinc/44/62/44/650446244.db2.gz	SGHVWFALMJUVFD-UHFFFAOYSA-N	-1	1	379.463	2.347	20	30		GEEDMM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1	ZINC000486015013	650705218	/nfs/dbraw/zinc/70/52/18/650705218.db2.gz	CVVGBZFBEABEAT-LBPRGKRZSA-N	-1	1	380.447	2.182	20	30		GEEDMM
C[C@@](O)(C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(F)(F)F	ZINC000489695947	650761872	/nfs/dbraw/zinc/76/18/72/650761872.db2.gz	HSWFJXLQKUYKHY-SECBINFHSA-N	-1	1	385.257	2.316	20	30		GEEDMM
CN(C)S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1Cl	ZINC000534942909	650782634	/nfs/dbraw/zinc/78/26/34/650782634.db2.gz	WGYPYYXXNBVZME-UHFFFAOYSA-N	-1	1	399.881	2.263	20	30		GEEDMM
C#CCSCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000151719361	643951992	/nfs/dbraw/zinc/95/19/92/643951992.db2.gz	MOJPSIQZOUGXIV-UHFFFAOYSA-N	-1	1	379.257	2.002	20	30		GEEDMM
O=C([N-]c1nncn1C1CC1)c1sccc1S(=O)(=O)N1CCCCC1	ZINC000329127343	647318781	/nfs/dbraw/zinc/31/87/81/647318781.db2.gz	UVTCJTZDAYPFQH-UHFFFAOYSA-N	-1	1	381.483	2.485	20	30		GEEDMM
N#Cc1cc(Br)cc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)c1	ZINC000330568525	647345279	/nfs/dbraw/zinc/34/52/79/647345279.db2.gz	BSGDMLFMYGDYKV-NSHDSACASA-N	-1	1	399.188	2.320	20	30		GEEDMM
CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1	ZINC000331320322	647380271	/nfs/dbraw/zinc/38/02/71/647380271.db2.gz	KOVQZPRXFAONFX-UWVGGRQHSA-N	-1	1	377.235	2.306	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2O)cc1Br	ZINC000408192021	647935447	/nfs/dbraw/zinc/93/54/47/647935447.db2.gz	JTAKJQYYUZHENM-RYUDHWBXSA-N	-1	1	377.235	2.042	20	30		GEEDMM
CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)[C@H](C)C#N	ZINC000416425092	648123616	/nfs/dbraw/zinc/12/36/16/648123616.db2.gz	CAARUBMXFLTMSM-NOZJJQNGSA-N	-1	1	379.265	2.299	20	30		GEEDMM
CCC[C@H](C)NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)[C@H](C#N)CC)c1	ZINC000416966779	648220060	/nfs/dbraw/zinc/22/00/60/648220060.db2.gz	YSDBWGDNOSRKSC-BBRMVZONSA-N	-1	1	387.527	2.338	20	30		GEEDMM
CCC[C@@H](C)NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)[C@H](C#N)CC)c1	ZINC000416966784	648220089	/nfs/dbraw/zinc/22/00/89/648220089.db2.gz	YSDBWGDNOSRKSC-CJNGLKHVSA-N	-1	1	387.527	2.338	20	30		GEEDMM
C=C[C@@H]1OCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000556832411	651254665	/nfs/dbraw/zinc/25/46/65/651254665.db2.gz	AJVNKVPQWXCSGI-OLZOCXBDSA-N	-1	1	393.292	2.122	20	30		GEEDMM
C#CCOc1cccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)c1	ZINC000730996852	651614881	/nfs/dbraw/zinc/61/48/81/651614881.db2.gz	XTUQRINFTCPINA-UHFFFAOYSA-N	-1	1	379.459	2.211	20	30		GEEDMM
O=c1nc(NN=C2CCCOc3cc(Br)ccc32)nc2[nH][n-]cc1-2	ZINC000731155093	651620269	/nfs/dbraw/zinc/62/02/69/651620269.db2.gz	RRPPHXWXLMYUFE-UHFFFAOYSA-N	-1	1	389.213	2.183	20	30		GEEDMM
CC#CC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000645884090	651665828	/nfs/dbraw/zinc/66/58/28/651665828.db2.gz	UUPAUAVBQTXZSF-SECBINFHSA-N	-1	1	384.654	2.294	20	30		GEEDMM
N#Cc1ccc(O)c(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c1	ZINC000751215250	652331561	/nfs/dbraw/zinc/33/15/61/652331561.db2.gz	JLXHOYZUMUTEBO-UHFFFAOYSA-N	-1	1	382.781	2.181	20	30		GEEDMM
[O-]c1c(O)cc(C=NN2C(=S)N=NC2[C@@H]2CCCO2)cc1Br	ZINC000757570021	652518407	/nfs/dbraw/zinc/51/84/07/652518407.db2.gz	UCQZZRRABZLUQO-JTQLQIEISA-N	-1	1	385.243	2.474	20	30		GEEDMM
C=CCCn1cc(C[N-]S(=O)(=O)c2cscc2Br)nn1	ZINC000632635099	652569777	/nfs/dbraw/zinc/56/97/77/652569777.db2.gz	HOMXDXWILXKCER-UHFFFAOYSA-N	-1	1	377.289	2.157	20	30		GEEDMM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)OCC(F)(F)F)c(OC)c1	ZINC000761247107	652638409	/nfs/dbraw/zinc/63/84/09/652638409.db2.gz	WOEBHMRHLBHRRR-UHFFFAOYSA-N	-1	1	391.389	2.115	20	30		GEEDMM
CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CCOC1	ZINC000594694640	652673217	/nfs/dbraw/zinc/67/32/17/652673217.db2.gz	NIAQXFQXGBJAPQ-RISCZKNCSA-N	-1	1	378.372	2.370	20	30		GEEDMM
C=C(C)C[C@@H](NC(=O)c1ccc(I)c([O-])c1)C(=O)OC	ZINC000601788747	653126804	/nfs/dbraw/zinc/12/68/04/653126804.db2.gz	XYRJZZAQIVELGL-LLVKDONJSA-N	-1	1	389.189	2.234	20	30		GEEDMM
Cn1c(Cl)nc(Cl)c1C=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000814822445	653639831	/nfs/dbraw/zinc/63/98/31/653639831.db2.gz	NNORPYMMGMGEQP-UHFFFAOYSA-N	-1	1	392.224	2.089	20	30		GEEDMM
C=C[C@@H](O)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-]	ZINC000816843652	653694497	/nfs/dbraw/zinc/69/44/97/653694497.db2.gz	RIMCAHHQZFXMAT-CQSZACIVSA-N	-1	1	382.825	2.332	20	30		GEEDMM
C[S@](=O)(=NS(=O)(=O)[N-][C@H]1Cc2ccc(C#N)cc2C1)C1CCCCC1	ZINC000882504500	653785441	/nfs/dbraw/zinc/78/54/41/653785441.db2.gz	YMPIEOSSHZJLTR-UPCLLVRISA-N	-1	1	381.523	2.290	20	30		GEEDMM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](O)C(F)(F)C(F)(F)F)c1	ZINC000882781576	653807328	/nfs/dbraw/zinc/80/73/28/653807328.db2.gz	PWLDJPJZAGQPJC-VIFPVBQESA-N	-1	1	378.706	2.048	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1)C(C)C	ZINC000867224687	653897949	/nfs/dbraw/zinc/89/79/49/653897949.db2.gz	RGVNMFVZQRBJQI-XCLFUZPHSA-N	-1	1	393.328	2.398	20	30		GEEDMM
C#CCCC[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F	ZINC000795866563	653972758	/nfs/dbraw/zinc/97/27/58/653972758.db2.gz	SIPKAACQADEVDS-UHFFFAOYSA-N	-1	1	392.246	2.457	20	30		GEEDMM
O=C([N-]CC(F)(C(F)(F)F)C(F)(F)F)[C@H]1OCCO[C@H]1C(F)(F)F	ZINC000899093781	653999006	/nfs/dbraw/zinc/99/90/06/653999006.db2.gz	ZKUUOZNNYBTQTG-CRCLSJGQSA-N	-1	1	381.166	2.282	20	30		GEEDMM
Cc1[nH]c(=O)[n-]c(=O)c1CCC(=O)NCC(F)(C(F)(F)F)C(F)(F)F	ZINC000899098552	653999641	/nfs/dbraw/zinc/99/96/41/653999641.db2.gz	MGGWDKRFEGOCBH-UHFFFAOYSA-N	-1	1	379.232	2.078	20	30		GEEDMM
C#CC1(O)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1	ZINC000899119380	654000449	/nfs/dbraw/zinc/00/04/49/654000449.db2.gz	MNZIZYSIWDOJDZ-UHFFFAOYSA-N	-1	1	375.222	2.303	20	30		GEEDMM
C#C[C@@H](NC(=O)c1ccc(I)c([O-])c1)C1CCOCC1	ZINC000856102924	654461615	/nfs/dbraw/zinc/46/16/15/654461615.db2.gz	HTFJGRDMKPPFGA-CYBMUJFWSA-N	-1	1	385.201	2.155	20	30		GEEDMM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F	ZINC000914328713	654845703	/nfs/dbraw/zinc/84/57/03/654845703.db2.gz	GSKRPLZLDKYEPH-VIFPVBQESA-N	-1	1	382.251	2.060	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)c(Cl)c1	ZINC000183010265	532320709	/nfs/dbraw/zinc/32/07/09/532320709.db2.gz	ZKEPZYREDHNALG-UHFFFAOYSA-N	-1	1	378.776	2.127	20	30		GEEDMM
CC(C)(CCO)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295328902	532433458	/nfs/dbraw/zinc/43/34/58/532433458.db2.gz	WYTKHMDHRUSEOF-UHFFFAOYSA-N	-1	1	379.251	2.147	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)Cc2ccc(Br)cc2)o1	ZINC000561546294	532444993	/nfs/dbraw/zinc/44/49/93/532444993.db2.gz	NXPSFOZKCXCLAL-GFCCVEGCSA-N	-1	1	399.266	2.043	20	30		GEEDMM
C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295463690	532448473	/nfs/dbraw/zinc/44/84/73/532448473.db2.gz	LIZLVYLKHZZVML-MRVPVSSYSA-N	-1	1	379.251	2.288	20	30		GEEDMM
COCC1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1	ZINC000594476834	532509185	/nfs/dbraw/zinc/50/91/85/532509185.db2.gz	VYCMPBGELWJBBR-UHFFFAOYSA-N	-1	1	377.235	2.165	20	30		GEEDMM
CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1	ZINC000595353965	532559099	/nfs/dbraw/zinc/55/90/99/532559099.db2.gz	KPZJYSWKMFZOOM-NSHDSACASA-N	-1	1	390.278	2.222	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CC2CCC(O)CC2)cc1Br	ZINC000595354826	532559991	/nfs/dbraw/zinc/55/99/91/532559991.db2.gz	XGQOPXHHWKUEDE-UHFFFAOYSA-N	-1	1	391.262	2.289	20	30		GEEDMM
CSc1nc(=NC(=O)NCC2(CN3CCOCC3)CCCCC2)s[n-]1	ZINC000330084855	532814397	/nfs/dbraw/zinc/81/43/97/532814397.db2.gz	LGXAAPZVMZOUMA-UHFFFAOYSA-N	-1	1	385.559	2.291	20	30		GEEDMM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H]1CCCO1	ZINC000330801832	532827305	/nfs/dbraw/zinc/82/73/05/532827305.db2.gz	GXWHHQMILAAPCW-PELKAZGASA-N	-1	1	377.235	2.306	20	30		GEEDMM
CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1	ZINC000331320324	532837714	/nfs/dbraw/zinc/83/77/14/532837714.db2.gz	KOVQZPRXFAONFX-ZJUUUORDSA-N	-1	1	377.235	2.306	20	30		GEEDMM
N#Cc1ccccc1N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1	ZINC000737727053	598965868	/nfs/dbraw/zinc/96/58/68/598965868.db2.gz	CUSXNXIGNRWWBU-UHFFFAOYSA-N	-1	1	383.419	2.008	20	30		GEEDMM
N#Cc1ccccc1N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1	ZINC000737727053	598965869	/nfs/dbraw/zinc/96/58/69/598965869.db2.gz	CUSXNXIGNRWWBU-UHFFFAOYSA-N	-1	1	383.419	2.008	20	30		GEEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1ccc(Oc2ccccc2)c(F)c1	ZINC000822814264	607326888	/nfs/dbraw/zinc/32/68/88/607326888.db2.gz	DQCUDSUVINLJFK-UHFFFAOYSA-N	-1	1	376.355	2.497	20	30		GEEDMM
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)c1	ZINC000735436857	598662447	/nfs/dbraw/zinc/66/24/47/598662447.db2.gz	RXWNPEKXGNEDPC-UHFFFAOYSA-N	-1	1	375.385	2.371	20	30		GEEDMM
Cc1nc(-c2cccc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)c2)cs1	ZINC000822420045	599314539	/nfs/dbraw/zinc/31/45/39/599314539.db2.gz	ZCLRNMKVZRDSDT-UHFFFAOYSA-N	-1	1	377.393	2.146	20	30		GEEDMM
CCCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000736487999	599315081	/nfs/dbraw/zinc/31/50/81/599315081.db2.gz	NHSPXXHDEDLCLC-UHFFFAOYSA-N	-1	1	383.437	2.361	20	30		GEEDMM
CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736488491	599315374	/nfs/dbraw/zinc/31/53/74/599315374.db2.gz	SNOZELCARQZWTR-UHFFFAOYSA-N	-1	1	383.437	2.361	20	30		GEEDMM
C#CCOc1ccc(NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])cc1	ZINC000736090279	599838415	/nfs/dbraw/zinc/83/84/15/599838415.db2.gz	YRJFKGMVGNDBKL-UHFFFAOYSA-N	-1	1	395.414	2.046	20	30		GEEDMM
NC(=NOCc1ccc(F)cc1C(=O)[O-])c1ccc(N2CCC(O)CC2)cc1	ZINC000833078468	601056312	/nfs/dbraw/zinc/05/63/12/601056312.db2.gz	NGMDXRIMVHLHNK-UHFFFAOYSA-N	-1	1	387.411	2.322	20	30		GEEDMM
C=CCn1c(CCN2CCCCC2)nn(CN2CC[C@@](C)(C(=O)[O-])C2)c1=S	ZINC000825711280	601891052	/nfs/dbraw/zinc/89/10/52/601891052.db2.gz	XFQAAHUOPXQAAR-LJQANCHMSA-N	-1	1	393.557	2.383	20	30		GEEDMM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC000504681424	602112446	/nfs/dbraw/zinc/11/24/46/602112446.db2.gz	XVENYTIVLFIHKL-UHFFFAOYSA-N	-1	1	391.361	2.121	20	30		GEEDMM
C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1	ZINC000823844628	607599799	/nfs/dbraw/zinc/59/97/99/607599799.db2.gz	DRPIFDFNGXEXIV-UHFFFAOYSA-N	-1	1	379.873	2.477	20	30		GEEDMM
CSc1nc(C2CC2)cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1C#N	ZINC000826231509	607599965	/nfs/dbraw/zinc/59/99/65/607599965.db2.gz	OAUUYKWODSFNJT-UHFFFAOYSA-N	-1	1	393.432	2.485	20	30		GEEDMM
CSc1nc(C2CC2)cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1C#N	ZINC000826231509	607599967	/nfs/dbraw/zinc/59/99/67/607599967.db2.gz	OAUUYKWODSFNJT-UHFFFAOYSA-N	-1	1	393.432	2.485	20	30		GEEDMM
CC(C)CCN(CCC#N)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000824249131	607608076	/nfs/dbraw/zinc/60/80/76/607608076.db2.gz	HNMBKTZRGJQQMK-UHFFFAOYSA-N	-1	1	382.877	2.471	20	30		GEEDMM
CC(C)CCN(CCC#N)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1	ZINC000824249131	607608078	/nfs/dbraw/zinc/60/80/78/607608078.db2.gz	HNMBKTZRGJQQMK-UHFFFAOYSA-N	-1	1	382.877	2.471	20	30		GEEDMM
CC(C)(C)CN(CCC#N)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000824085579	607609714	/nfs/dbraw/zinc/60/97/14/607609714.db2.gz	HAGOVPIZBQTLMI-UHFFFAOYSA-N	-1	1	382.877	2.471	20	30		GEEDMM
CC(C)(C)CN(CCC#N)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1	ZINC000824085579	607609716	/nfs/dbraw/zinc/60/97/16/607609716.db2.gz	HAGOVPIZBQTLMI-UHFFFAOYSA-N	-1	1	382.877	2.471	20	30		GEEDMM
C#CCN(C1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1	ZINC000823846027	607668485	/nfs/dbraw/zinc/66/84/85/607668485.db2.gz	XVHBPVYXROYTPJ-UHFFFAOYSA-N	-1	1	399.398	2.452	20	30		GEEDMM
C=CCc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc(OC)c1OC	ZINC000833378077	605112909	/nfs/dbraw/zinc/11/29/09/605112909.db2.gz	IPVURZXGBULUGF-AWEZNQCLSA-N	-1	1	376.453	2.053	20	30		GEEDMM
N#CC1(NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)CCN(Cc2ccccc2)CC1	ZINC000833963383	605415786	/nfs/dbraw/zinc/41/57/86/605415786.db2.gz	LYKKDJZMJSKOOK-MSOLQXFVSA-N	-1	1	384.480	2.487	20	30		GEEDMM
N#CC(C(=O)CCOC1CN(C(=O)[O-])C1)c1nc2ccccc2n1C(F)F	ZINC000833960114	606110633	/nfs/dbraw/zinc/11/06/33/606110633.db2.gz	FVMQOMPEEZVXDI-LLVKDONJSA-N	-1	1	378.335	2.377	20	30		GEEDMM
Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H]2CCN(c3sccc3C#N)C2=O)n1	ZINC000822427409	606311313	/nfs/dbraw/zinc/31/13/13/606311313.db2.gz	MPTYAPHHNAJPPV-NSHDSACASA-N	-1	1	398.477	2.104	20	30		GEEDMM
N#Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1N1CCC(O)CC1	ZINC000822822679	606599030	/nfs/dbraw/zinc/59/90/30/606599030.db2.gz	BIUSHNCCHILKOS-UHFFFAOYSA-N	-1	1	395.448	2.013	20	30		GEEDMM
N#Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1N1CCC(O)CC1	ZINC000822822679	606599032	/nfs/dbraw/zinc/59/90/32/606599032.db2.gz	BIUSHNCCHILKOS-UHFFFAOYSA-N	-1	1	395.448	2.013	20	30		GEEDMM
CC(=CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccccc1OC(F)F	ZINC000819766356	606605360	/nfs/dbraw/zinc/60/53/60/606605360.db2.gz	XKSYBNUVKMINHH-VURMDHGXSA-N	-1	1	386.322	2.105	20	30		GEEDMM
CCN(CCC#N)C(=O)CNc1ccccc1Oc1ncccc1-c1nn[n-]n1	ZINC000821207382	606707210	/nfs/dbraw/zinc/70/72/10/606707210.db2.gz	MKYKFJUTMWOWKP-UHFFFAOYSA-N	-1	1	392.423	2.228	20	30		GEEDMM
Cc1nc(Cn2c(N)nc(-c3nn[n-]n3)c2C#N)oc1-c1ccc(Cl)cc1	ZINC000822449575	606793575	/nfs/dbraw/zinc/79/35/75/606793575.db2.gz	FCXOUWMIWDJUIY-UHFFFAOYSA-N	-1	1	381.787	2.182	20	30		GEEDMM
CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(N3CCCC3)nc2)o1	ZINC000820108781	606916902	/nfs/dbraw/zinc/91/69/02/606916902.db2.gz	SKHLTIQVBYDUNI-UHFFFAOYSA-N	-1	1	381.444	2.494	20	30		GEEDMM
N#Cc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)ccc1Cl	ZINC000826384235	607867943	/nfs/dbraw/zinc/86/79/43/607867943.db2.gz	MJJIRIWHFMQATH-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#Cc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)ccc1Cl	ZINC000826384235	607867944	/nfs/dbraw/zinc/86/79/44/607867944.db2.gz	MJJIRIWHFMQATH-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)CCn2ccc3cc(Cl)ccc32)nc1-c1nn[nH]n1	ZINC000826382755	608011603	/nfs/dbraw/zinc/01/16/03/608011603.db2.gz	STGCYYMXAJIYDJ-UHFFFAOYSA-N	-1	1	381.787	2.098	20	30		GEEDMM
N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc(-c4nnn[n-]4)s3)n2)c1	ZINC000826386774	608190324	/nfs/dbraw/zinc/19/03/24/608190324.db2.gz	SFBOIBKQYQRVEA-UHFFFAOYSA-N	-1	1	376.405	2.120	20	30		GEEDMM
N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc(-c4nn[n-]n4)s3)n2)c1	ZINC000826386774	608190326	/nfs/dbraw/zinc/19/03/26/608190326.db2.gz	SFBOIBKQYQRVEA-UHFFFAOYSA-N	-1	1	376.405	2.120	20	30		GEEDMM
N#Cc1cc(F)ccc1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1	ZINC000826384261	608366293	/nfs/dbraw/zinc/36/62/93/608366293.db2.gz	NPNNLDLSSXRUJN-UHFFFAOYSA-N	-1	1	380.387	2.069	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2O)cc1Br	ZINC000451236691	650097115	/nfs/dbraw/zinc/09/71/15/650097115.db2.gz	ARXLTTNNLAOZHA-NOZJJQNGSA-N	-1	1	391.262	2.289	20	30		GEEDMM
CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(C)C	ZINC000451272562	650099644	/nfs/dbraw/zinc/09/96/44/650099644.db2.gz	MCXGAZLJHRQGKY-LBPRGKRZSA-N	-1	1	379.251	2.409	20	30		GEEDMM
CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CC1(CC#N)CC1	ZINC000451497004	650120712	/nfs/dbraw/zinc/12/07/12/650120712.db2.gz	VHRVSWJHSPUSHG-OAHLLOKOSA-N	-1	1	384.885	2.427	20	30		GEEDMM
CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)no1	ZINC000451573198	650126686	/nfs/dbraw/zinc/12/66/86/650126686.db2.gz	TXJMRGUOZDLYAY-SNVBAGLBSA-N	-1	1	384.845	2.365	20	30		GEEDMM
COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc(S(C)(=O)=O)c1	ZINC000507600978	650464271	/nfs/dbraw/zinc/46/42/71/650464271.db2.gz	NGWWTOFAISDGKO-UHFFFAOYSA-N	-1	1	380.447	2.080	20	30		GEEDMM
C[C@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000485992671	650704661	/nfs/dbraw/zinc/70/46/61/650704661.db2.gz	IAYGMTXXWDAZJS-GFCCVEGCSA-N	-1	1	375.431	2.045	20	30		GEEDMM
C[C@](O)(C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(F)(F)F	ZINC000489695948	650761864	/nfs/dbraw/zinc/76/18/64/650761864.db2.gz	HSWFJXLQKUYKHY-VIFPVBQESA-N	-1	1	385.257	2.316	20	30		GEEDMM
Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2NS(C)(=O)=O)c1C#N	ZINC000540217633	650860447	/nfs/dbraw/zinc/86/04/47/650860447.db2.gz	SVOZTVXUIWIHOS-UHFFFAOYSA-N	-1	1	383.426	2.178	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)cc1Br	ZINC000408457410	647954494	/nfs/dbraw/zinc/95/44/94/647954494.db2.gz	BDNYGXZBGWLHNK-ZWKOPEQDSA-N	-1	1	389.246	2.306	20	30		GEEDMM
C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)O1	ZINC000416538372	648165014	/nfs/dbraw/zinc/16/50/14/648165014.db2.gz	WHHMMZYDWVKZRR-SCZZXKLOSA-N	-1	1	377.235	2.306	20	30		GEEDMM
O=S(=O)([N-]CC[C@@H](O)C(F)(F)F)c1c(F)cccc1OC(F)(F)F	ZINC000553831926	651189915	/nfs/dbraw/zinc/18/99/15/651189915.db2.gz	QBJONFCVPOAOFO-MRVPVSSYSA-N	-1	1	385.257	2.316	20	30		GEEDMM
C#CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1	ZINC000730996477	651614722	/nfs/dbraw/zinc/61/47/22/651614722.db2.gz	SGURMMSWMGPBAA-UHFFFAOYSA-N	-1	1	383.422	2.042	20	30		GEEDMM
O=c1nc(NN=Cc2nc(-c3ccc(Br)cc3)c[nH]2)nc2[nH][n-]cc1-2	ZINC000732711489	651671772	/nfs/dbraw/zinc/67/17/72/651671772.db2.gz	BTHGSBURZXYFBW-UHFFFAOYSA-N	-1	1	399.212	2.031	20	30		GEEDMM
CS(=O)(=O)Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1	ZINC000619463301	652059688	/nfs/dbraw/zinc/05/96/88/652059688.db2.gz	FTAMZJNDLRXXOA-UHFFFAOYSA-N	-1	1	382.438	2.237	20	30		GEEDMM
CCN(CC)c1ncc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000748252204	652196081	/nfs/dbraw/zinc/19/60/81/652196081.db2.gz	BYOSHBFDDJRJPS-UHFFFAOYSA-N	-1	1	383.455	2.210	20	30		GEEDMM
CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000583659399	652493267	/nfs/dbraw/zinc/49/32/67/652493267.db2.gz	SZOXZVNBOSAUID-PRHODGIISA-N	-1	1	379.251	2.145	20	30		GEEDMM
N#CC1(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCC1	ZINC000593782052	652635315	/nfs/dbraw/zinc/63/53/15/652635315.db2.gz	NPRMMAHWUAOBFT-UHFFFAOYSA-N	-1	1	390.292	2.472	20	30		GEEDMM
CO[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1)[C@@H]1CCOC1	ZINC000594698307	652674488	/nfs/dbraw/zinc/67/44/88/652674488.db2.gz	XPATVHKXKMGVBC-YGRLFVJLSA-N	-1	1	389.271	2.114	20	30		GEEDMM
CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc(Br)ncc1F	ZINC000762418511	652689260	/nfs/dbraw/zinc/68/92/60/652689260.db2.gz	QZLHTNMJGULYSX-UHFFFAOYSA-N	-1	1	397.229	2.446	20	30		GEEDMM
COC(=O)[C@@H]([N-]S(=O)(=O)CCCCC#N)c1ccccc1Br	ZINC000594843436	652692218	/nfs/dbraw/zinc/69/22/18/652692218.db2.gz	OITMJWVRFGCLDV-ZDUSSCGKSA-N	-1	1	389.271	2.276	20	30		GEEDMM
N#Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000597608522	652783601	/nfs/dbraw/zinc/78/36/01/652783601.db2.gz	BMQWGZAHPKYBHS-SECBINFHSA-N	-1	1	377.198	2.429	20	30		GEEDMM
N#Cc1c(NCc2cccc(Br)c2[O-])cccc1S(N)(=O)=O	ZINC000764933914	652815888	/nfs/dbraw/zinc/81/58/88/652815888.db2.gz	FVSJTKUOCOBATA-UHFFFAOYSA-N	-1	1	382.239	2.286	20	30		GEEDMM
Cc1nn(-c2ccc(Br)cc2)cc1C=Nn1c(=O)cn[n-]c1=S	ZINC000766474951	652881302	/nfs/dbraw/zinc/88/13/02/652881302.db2.gz	PZPRTHILYXRZBE-UHFFFAOYSA-N	-1	1	391.254	2.066	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)[C@@H]1CCCO1	ZINC000773058841	653177987	/nfs/dbraw/zinc/17/79/87/653177987.db2.gz	VEROKQRORXXKSW-RYUDHWBXSA-N	-1	1	380.210	2.186	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)[C@H]1CCCO1	ZINC000773058844	653178183	/nfs/dbraw/zinc/17/81/83/653178183.db2.gz	VEROKQRORXXKSW-VXGBXAGGSA-N	-1	1	380.210	2.186	20	30		GEEDMM
CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br	ZINC000770272860	653206129	/nfs/dbraw/zinc/20/61/29/653206129.db2.gz	FGUDOFLQSYHGGL-SECBINFHSA-N	-1	1	393.234	2.345	20	30		GEEDMM
O=c1cn[n-]c(=S)n1N=Cc1cc(Br)cc(Br)c1	ZINC000807984702	653213769	/nfs/dbraw/zinc/21/37/69/653213769.db2.gz	DQRCZRHBWHYEMH-UHFFFAOYSA-N	-1	1	390.060	2.334	20	30		GEEDMM
CC(=NNS(C)(=O)=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000814873197	653640856	/nfs/dbraw/zinc/64/08/56/653640856.db2.gz	RFFDSKRFVBPCAU-UHFFFAOYSA-N	-1	1	381.479	2.069	20	30		GEEDMM
C#CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br	ZINC000882340812	653777042	/nfs/dbraw/zinc/77/70/42/653777042.db2.gz	QIIMWPHXSAFYPK-SSDOTTSWSA-N	-1	1	387.082	2.418	20	30		GEEDMM
C#CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br	ZINC000882340814	653777114	/nfs/dbraw/zinc/77/71/14/653777114.db2.gz	QIIMWPHXSAFYPK-ZETCQYMHSA-N	-1	1	387.082	2.418	20	30		GEEDMM
O=C1[C@H](NCc2cc(Br)c([O-])c(Br)c2)CCCN1O	ZINC000895159345	653820997	/nfs/dbraw/zinc/82/09/97/653820997.db2.gz	UBGRLMUJTFMYCX-SNVBAGLBSA-N	-1	1	394.063	2.387	20	30		GEEDMM
C#C[C@@H](CC)[N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1	ZINC000867198987	653892896	/nfs/dbraw/zinc/89/28/96/653892896.db2.gz	SVWRKVTWZANQDK-JEOXALJRSA-N	-1	1	379.301	2.152	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)o1	ZINC000867704359	653974608	/nfs/dbraw/zinc/97/46/08/653974608.db2.gz	IVIZWXCQJDXHGO-UHFFFAOYSA-N	-1	1	381.841	2.017	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)[C@H]1CCCO1	ZINC000795931264	653978046	/nfs/dbraw/zinc/97/80/46/653978046.db2.gz	LHGKICZLSMTMBL-CHWSQXEVSA-N	-1	1	392.260	2.239	20	30		GEEDMM
CC(C)(C)OC(=O)NCC(F)(F)C[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000797833085	654043742	/nfs/dbraw/zinc/04/37/42/654043742.db2.gz	UYOBZIZLAHWFRU-UHFFFAOYSA-N	-1	1	381.426	2.058	20	30		GEEDMM
C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccsc1Br)C(=O)OC	ZINC000918793324	654162677	/nfs/dbraw/zinc/16/26/77/654162677.db2.gz	VBWBFSIRNAUVIS-JTQLQIEISA-N	-1	1	382.301	2.438	20	30		GEEDMM
C#CCN1CCC(C(=O)N(CC(=O)[O-])Cc2cccc(Br)c2)CC1	ZINC000909808222	654676751	/nfs/dbraw/zinc/67/67/51/654676751.db2.gz	XVWXMIGGFVTVRN-UHFFFAOYSA-N	-1	1	393.281	2.208	20	30		GEEDMM
CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1S(N)(=O)=O	ZINC000067124665	531876737	/nfs/dbraw/zinc/87/67/37/531876737.db2.gz	CIEZSCLYXAAVRC-UHFFFAOYSA-N	-1	1	399.881	2.222	20	30		GEEDMM
N#Cc1ccc(C(=O)NC[C@H](O)COc2ccccc2Br)cc1[O-]	ZINC000188855913	532349895	/nfs/dbraw/zinc/34/98/95/532349895.db2.gz	VSGIJCNASNWHHA-ZDUSSCGKSA-N	-1	1	391.221	2.196	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Br)cc3)C2)o1	ZINC000557812562	532374195	/nfs/dbraw/zinc/37/41/95/532374195.db2.gz	YAUQCCDBHRXGTR-GFCCVEGCSA-N	-1	1	396.266	2.471	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Br)cc3)C2)o1	ZINC000557812563	532374607	/nfs/dbraw/zinc/37/46/07/532374607.db2.gz	YAUQCCDBHRXGTR-LBPRGKRZSA-N	-1	1	396.266	2.471	20	30		GEEDMM
N#C[C@H]1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1	ZINC000425320455	532383167	/nfs/dbraw/zinc/38/31/67/532383167.db2.gz	FSLPIOSSOWAXIK-VHSXEESVSA-N	-1	1	376.265	2.080	20	30		GEEDMM
C[C@@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2F)cc1	ZINC000192129743	532387888	/nfs/dbraw/zinc/38/78/88/532387888.db2.gz	TUYTXSIAXSNBNG-LBPRGKRZSA-N	-1	1	382.438	2.453	20	30		GEEDMM
Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000427206576	532415900	/nfs/dbraw/zinc/41/59/00/532415900.db2.gz	SJOSBXQHEWXGDU-UHFFFAOYSA-N	-1	1	382.438	2.351	20	30		GEEDMM
C[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H]1CCOC1	ZINC000295247898	532426292	/nfs/dbraw/zinc/42/62/92/532426292.db2.gz	QCWGGZQHHBRYCB-DTWKUNHWSA-N	-1	1	377.235	2.163	20	30		GEEDMM
N#CC[C@@H]1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1	ZINC000295609445	532463851	/nfs/dbraw/zinc/46/38/51/532463851.db2.gz	UHTUDJKXEIQXFF-QWRGUYRKSA-N	-1	1	390.292	2.470	20	30		GEEDMM
CC(C)(C)[C@H](C#N)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000565012705	532542962	/nfs/dbraw/zinc/54/29/62/532542962.db2.gz	BHFHNURSYJQJBH-NSHDSACASA-N	-1	1	378.281	2.326	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCOC2)cc1Br	ZINC000296698022	532534738	/nfs/dbraw/zinc/53/47/38/532534738.db2.gz	KPCULQADAQMKJS-VIFPVBQESA-N	-1	1	377.235	2.165	20	30		GEEDMM
CN(C)c1nc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc(=O)[n-]1	ZINC000434067987	532587516	/nfs/dbraw/zinc/58/75/16/532587516.db2.gz	LCUAEDOJKCNDCY-GFCCVEGCSA-N	-1	1	376.214	2.005	20	30		GEEDMM
CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1F	ZINC000565748549	532575164	/nfs/dbraw/zinc/57/51/64/532575164.db2.gz	UOHGFUQCNQSRST-UHFFFAOYSA-N	-1	1	387.389	2.009	20	30		GEEDMM
C=CCOC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)OC	ZINC000435425477	532616476	/nfs/dbraw/zinc/61/64/76/532616476.db2.gz	DEGZSHIWUKNQMO-LLVKDONJSA-N	-1	1	386.228	2.155	20	30		GEEDMM
Cc1cc(C2([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)CCOCC2)on1	ZINC000599516204	532664415	/nfs/dbraw/zinc/66/44/15/532664415.db2.gz	YAXCDDODNYZYAS-UHFFFAOYSA-N	-1	1	381.841	2.492	20	30		GEEDMM
Cc1cc(C2([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)CCOCC2)on1	ZINC000599513635	532665057	/nfs/dbraw/zinc/66/50/57/532665057.db2.gz	BPZBFPWZBDGBIL-UHFFFAOYSA-N	-1	1	381.841	2.492	20	30		GEEDMM
CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CC#N)c(F)cc1Br	ZINC000285170631	532654240	/nfs/dbraw/zinc/65/42/40/532654240.db2.gz	MGMSQKAVJHQAPA-MRVPVSSYSA-N	-1	1	393.234	2.345	20	30		GEEDMM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000286637604	532759959	/nfs/dbraw/zinc/75/99/59/532759959.db2.gz	ZRIYGCAVWJGXLH-ZETCQYMHSA-N	-1	1	380.195	2.467	20	30		GEEDMM
CN(CC(=O)Nc1ccc([O-])c(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000541887406	532761744	/nfs/dbraw/zinc/76/17/44/532761744.db2.gz	DRNQQAYIFYUHEN-UHFFFAOYSA-N	-1	1	379.825	2.176	20	30		GEEDMM
CO[C@H](C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C1CC1	ZINC000451587642	532765460	/nfs/dbraw/zinc/76/54/60/532765460.db2.gz	GCAVBSQUUBCUNU-GFCCVEGCSA-N	-1	1	377.235	2.163	20	30		GEEDMM
N#Cc1cncc(S(=O)(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c1	ZINC000320402441	532787349	/nfs/dbraw/zinc/78/73/49/532787349.db2.gz	QXLUIYQNTVFOTA-UHFFFAOYSA-N	-1	1	382.195	2.215	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3Cl)C2=O)o1	ZINC000287685774	532806096	/nfs/dbraw/zinc/80/60/96/532806096.db2.gz	FAMVKUSZJRSBJU-ZDUSSCGKSA-N	-1	1	379.825	2.279	20	30		GEEDMM
COc1cc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc(Cl)c1[O-]	ZINC000330891382	532829360	/nfs/dbraw/zinc/82/93/60/532829360.db2.gz	WXKHAPLFECDWFB-UHFFFAOYSA-N	-1	1	376.862	2.030	20	30		GEEDMM
N#CCCN(CC1CC1)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000290315381	532877994	/nfs/dbraw/zinc/87/79/94/532877994.db2.gz	HPUPMDHTEQYFGI-UHFFFAOYSA-N	-1	1	390.292	2.424	20	30		GEEDMM
C=CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccncc1	ZINC000735409667	599107708	/nfs/dbraw/zinc/10/77/08/599107708.db2.gz	IAOUVMOKUUPYKM-ZDUSSCGKSA-N	-1	1	383.437	2.131	20	30		GEEDMM
CSc1nc(C2CC2)cc(C(=O)Nc2ccn(CCC#N)n2)c1-c1nn[n-]n1	ZINC000737189579	599265324	/nfs/dbraw/zinc/26/53/24/599265324.db2.gz	PBYNLPYIHXXCMJ-UHFFFAOYSA-N	-1	1	395.452	2.223	20	30		GEEDMM
N#C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CCO1	ZINC000737677291	598402474	/nfs/dbraw/zinc/40/24/74/598402474.db2.gz	BNLXPHMXZUGXRF-AWEZNQCLSA-N	-1	1	394.366	2.163	20	30		GEEDMM
N#C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)CCO1	ZINC000737677291	598402475	/nfs/dbraw/zinc/40/24/75/598402475.db2.gz	BNLXPHMXZUGXRF-AWEZNQCLSA-N	-1	1	394.366	2.163	20	30		GEEDMM
N#Cc1cnn(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)c1N	ZINC000737728273	598409320	/nfs/dbraw/zinc/40/93/20/598409320.db2.gz	KTFPYGWMKARBNF-UHFFFAOYSA-N	-1	1	390.338	2.137	20	30		GEEDMM
N#Cc1cnn(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)c1N	ZINC000737728273	598409321	/nfs/dbraw/zinc/40/93/21/598409321.db2.gz	KTFPYGWMKARBNF-UHFFFAOYSA-N	-1	1	390.338	2.137	20	30		GEEDMM
N#Cc1c(F)cccc1N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1	ZINC000737705556	598573567	/nfs/dbraw/zinc/57/35/67/598573567.db2.gz	PQHDPGOEGUMYEJ-UHFFFAOYSA-N	-1	1	384.806	2.252	20	30		GEEDMM
N#Cc1c(F)cccc1N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1	ZINC000737705556	598573568	/nfs/dbraw/zinc/57/35/68/598573568.db2.gz	PQHDPGOEGUMYEJ-UHFFFAOYSA-N	-1	1	384.806	2.252	20	30		GEEDMM
Cc1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)ccc1-n1cncn1	ZINC000822199046	599337067	/nfs/dbraw/zinc/33/70/67/599337067.db2.gz	UFUAFFIZKSKYCB-UHFFFAOYSA-N	-1	1	392.427	2.487	20	30		GEEDMM
C=CC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1	ZINC000735409045	599593056	/nfs/dbraw/zinc/59/30/56/599593056.db2.gz	AVVZSNWGDDDODR-UHFFFAOYSA-N	-1	1	387.387	2.472	20	30		GEEDMM
C#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])c1	ZINC000736089451	599838533	/nfs/dbraw/zinc/83/85/33/599838533.db2.gz	LBVZGMMXKJDVLX-UHFFFAOYSA-N	-1	1	395.414	2.046	20	30		GEEDMM
N#Cc1ccc(OC[C@H](O)C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1	ZINC000739129312	600145178	/nfs/dbraw/zinc/14/51/78/600145178.db2.gz	UEIPTIOMQLOKTD-MRXNPFEDSA-N	-1	1	390.823	2.244	20	30		GEEDMM
N#Cc1ccc(OC[C@H](O)C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1	ZINC000739129312	600145180	/nfs/dbraw/zinc/14/51/80/600145180.db2.gz	UEIPTIOMQLOKTD-MRXNPFEDSA-N	-1	1	390.823	2.244	20	30		GEEDMM
CS(=O)(=O)Nc1cccc2c1CCN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2	ZINC000738168741	600566693	/nfs/dbraw/zinc/56/66/93/600566693.db2.gz	WDJIWXNNGSELQY-GOSISDBHSA-N	-1	1	385.445	2.114	20	30		GEEDMM
CC(C)(C)n1cc(CN2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cn1	ZINC000736305191	600569767	/nfs/dbraw/zinc/56/97/67/600569767.db2.gz	CNAIBQMYCFPFGK-IBGZPJMESA-N	-1	1	381.480	2.453	20	30		GEEDMM
N#Cc1ccc([C@@H](NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C(=O)[O-])cc1	ZINC000739107049	600596040	/nfs/dbraw/zinc/59/60/40/600596040.db2.gz	OTDFFZKMLBXSDV-VQTJNVASSA-N	-1	1	393.443	2.383	20	30		GEEDMM
CS(=O)(=O)Nc1ccc(F)cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000832699303	601348532	/nfs/dbraw/zinc/34/85/32/601348532.db2.gz	DKIIRYCFLQZYIA-HNNXBMFYSA-N	-1	1	392.364	2.052	20	30		GEEDMM
C=CCn1c(CCN2CCCCC2)nn(CN2CC[C@@](F)(C(=O)[O-])C2)c1=S	ZINC000825711176	601372250	/nfs/dbraw/zinc/37/22/50/601372250.db2.gz	SDLKZFQTPCFBBG-SFHVURJKSA-N	-1	1	397.520	2.085	20	30		GEEDMM
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)c1C#N	ZINC000832849974	601517799	/nfs/dbraw/zinc/51/77/99/601517799.db2.gz	VHYBSGFRNIFLLR-PXAZEXFGSA-N	-1	1	384.436	2.209	20	30		GEEDMM
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](CN(C)C(=O)[O-])C1	ZINC000738611116	602529827	/nfs/dbraw/zinc/52/98/27/602529827.db2.gz	BVWWHZJBIXSRJY-LSDHHAIUSA-N	-1	1	376.432	2.393	20	30		GEEDMM
COc1cc(C#N)ccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1	ZINC000826177145	607577032	/nfs/dbraw/zinc/57/70/32/607577032.db2.gz	UHYFHCXHZLALIL-UHFFFAOYSA-N	-1	1	391.796	2.168	20	30		GEEDMM
C#CCN(C1CCCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000823845388	607600001	/nfs/dbraw/zinc/60/00/01/607600001.db2.gz	QJYKBKUGNWWFBV-UHFFFAOYSA-N	-1	1	379.873	2.477	20	30		GEEDMM
C#CCN(C1CCCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1	ZINC000823845388	607600002	/nfs/dbraw/zinc/60/00/02/607600002.db2.gz	QJYKBKUGNWWFBV-UHFFFAOYSA-N	-1	1	379.873	2.477	20	30		GEEDMM
C#CCOc1ccccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1	ZINC000823861384	607611021	/nfs/dbraw/zinc/61/10/21/607611021.db2.gz	GFLMVYUYKOTGKS-UHFFFAOYSA-N	-1	1	390.808	2.300	20	30		GEEDMM
C=CCOc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1	ZINC000823932142	607653801	/nfs/dbraw/zinc/65/38/01/607653801.db2.gz	PVRQKYHUURDQOK-UHFFFAOYSA-N	-1	1	376.369	2.338	20	30		GEEDMM
C=CCOc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1	ZINC000823932142	607653803	/nfs/dbraw/zinc/65/38/03/607653803.db2.gz	PVRQKYHUURDQOK-UHFFFAOYSA-N	-1	1	376.369	2.338	20	30		GEEDMM
C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@H](NC(=O)[O-])C3)sc2C1	ZINC000739112704	604430702	/nfs/dbraw/zinc/43/07/02/604430702.db2.gz	GZFZWVYPUPKXJD-NWDGAFQWSA-N	-1	1	376.482	2.415	20	30		GEEDMM
C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCN1C[C@@H](O)c1ccccc1	ZINC000833628907	604607849	/nfs/dbraw/zinc/60/78/49/604607849.db2.gz	CBWHAUQPAGOILJ-HRAATJIYSA-N	-1	1	379.460	2.496	20	30		GEEDMM
C[C@@]1(CCc2ccccc2)NC(=O)N(N=Cc2ccc(-c3nn[n-]n3)s2)C1=O	ZINC000820613275	606368639	/nfs/dbraw/zinc/36/86/39/606368639.db2.gz	YNOHRWSQOJHYTA-SFHVURJKSA-N	-1	1	395.448	2.205	20	30		GEEDMM
CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(C#N)cc1C(F)(F)F	ZINC000821601550	606443504	/nfs/dbraw/zinc/44/35/04/606443504.db2.gz	NHTLFAKECZPHRV-UHFFFAOYSA-N	-1	1	391.361	2.131	20	30		GEEDMM
CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(C#N)cc1C(F)(F)F	ZINC000821601550	606443506	/nfs/dbraw/zinc/44/35/06/606443506.db2.gz	NHTLFAKECZPHRV-UHFFFAOYSA-N	-1	1	391.361	2.131	20	30		GEEDMM
C=CCc1ccc(OCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(OC)c1	ZINC000819758951	606651556	/nfs/dbraw/zinc/65/15/56/606651556.db2.gz	JZMDIQMQCDQPMF-UHFFFAOYSA-N	-1	1	381.392	2.121	20	30		GEEDMM
C=CCc1ccc(OCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(OC)c1	ZINC000819758951	606651557	/nfs/dbraw/zinc/65/15/57/606651557.db2.gz	JZMDIQMQCDQPMF-UHFFFAOYSA-N	-1	1	381.392	2.121	20	30		GEEDMM
C=CCCCCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000819739776	606733570	/nfs/dbraw/zinc/73/35/70/606733570.db2.gz	HEKWIVREQAXFEB-UHFFFAOYSA-N	-1	1	380.430	2.142	20	30		GEEDMM
Cc1c(NCC(C)(C)C)cccc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000822123182	606849159	/nfs/dbraw/zinc/84/91/59/606849159.db2.gz	VGINESHCMDQUDK-UHFFFAOYSA-N	-1	1	379.428	2.480	20	30		GEEDMM
C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nn[nH]n2)cc1	ZINC000820438919	606886333	/nfs/dbraw/zinc/88/63/33/606886333.db2.gz	ZRMCJLXDSAVRKA-SECBINFHSA-N	-1	1	390.375	2.056	20	30		GEEDMM
N#Cc1c(F)cccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000826383923	607868002	/nfs/dbraw/zinc/86/80/02/607868002.db2.gz	XPZIARUADBVLBX-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#Cc1c(F)cccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1	ZINC000826383923	607868003	/nfs/dbraw/zinc/86/80/03/607868003.db2.gz	XPZIARUADBVLBX-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
Cc1cc(C)n(N=Cc2c[nH]nc2-c2c(F)cccc2F)c(=O)c1-c1nn[n-]n1	ZINC000826265344	607885379	/nfs/dbraw/zinc/88/53/79/607885379.db2.gz	VONCHFCMYRYRHX-UHFFFAOYSA-N	-1	1	396.361	2.196	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)nc1-c1nn[nH]n1	ZINC000826382729	609147556	/nfs/dbraw/zinc/14/75/56/609147556.db2.gz	RWZRWHZVKWCWIE-UHFFFAOYSA-N	-1	1	399.346	2.115	20	30		GEEDMM
CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451207030	650096380	/nfs/dbraw/zinc/09/63/80/650096380.db2.gz	INQMAKIGMACSED-UHFFFAOYSA-N	-1	1	393.234	2.080	20	30		GEEDMM
CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451259797	650098895	/nfs/dbraw/zinc/09/88/95/650098895.db2.gz	YGEBUVNUONGZEF-LBPRGKRZSA-N	-1	1	379.251	2.145	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCCOC(F)F)cc1Br	ZINC000451513079	650122325	/nfs/dbraw/zinc/12/23/25/650122325.db2.gz	VIZOLJGLEZNNQC-UHFFFAOYSA-N	-1	1	387.177	2.367	20	30		GEEDMM
CC[C@H](O)[C@H](CC)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451982810	650161206	/nfs/dbraw/zinc/16/12/06/650161206.db2.gz	KCGCNKAVYVODQE-RYUDHWBXSA-N	-1	1	379.251	2.288	20	30		GEEDMM
COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc(S(C)(=O)=O)c1	ZINC000507636451	650465817	/nfs/dbraw/zinc/46/58/17/650465817.db2.gz	OHUHYDDZSANOCL-UHFFFAOYSA-N	-1	1	380.447	2.080	20	30		GEEDMM
COC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(C)C	ZINC000514653995	650575759	/nfs/dbraw/zinc/57/57/59/650575759.db2.gz	LUEDIVYBQVFQAN-GFCCVEGCSA-N	-1	1	379.251	2.409	20	30		GEEDMM
C=CCCOCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000163409231	644254972	/nfs/dbraw/zinc/25/49/72/644254972.db2.gz	NAFIXHQUBIWJBA-UHFFFAOYSA-N	-1	1	379.232	2.228	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2=O)CCCC1	ZINC000545362175	650970964	/nfs/dbraw/zinc/97/09/64/650970964.db2.gz	IURAYYBOTJLBKZ-HNNXBMFYSA-N	-1	1	381.885	2.449	20	30		GEEDMM
N#Cc1ccc(N2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)nc1	ZINC000194563724	645334318	/nfs/dbraw/zinc/33/43/18/645334318.db2.gz	UMSBBDKUNLAXTN-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
N#Cc1cccnc1N1CCN(C(=O)c2cc(Br)ccc2[O-])CC1	ZINC000247639521	645514649	/nfs/dbraw/zinc/51/46/49/645514649.db2.gz	GCOLLQATUMUGAQ-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
COc1cc(C(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc(Cl)c1[O-]	ZINC000331270193	647376634	/nfs/dbraw/zinc/37/66/34/647376634.db2.gz	KHYLCTZSJXPMRR-VXGBXAGGSA-N	-1	1	376.862	2.219	20	30		GEEDMM
COc1cc(-c2noc(-c3cnn(C)c3C#N)n2)cc(Br)c1[O-]	ZINC000350611493	647536577	/nfs/dbraw/zinc/53/65/77/647536577.db2.gz	ONPNYZFADXNHJN-UHFFFAOYSA-N	-1	1	376.170	2.485	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1Br	ZINC000408457407	647954520	/nfs/dbraw/zinc/95/45/20/647954520.db2.gz	BDNYGXZBGWLHNK-BIMULSAOSA-N	-1	1	389.246	2.306	20	30		GEEDMM
N#Cc1cccc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1Br	ZINC000416953018	648218409	/nfs/dbraw/zinc/21/84/09/648218409.db2.gz	OREZNDYRHQWWGD-NSHDSACASA-N	-1	1	397.254	2.279	20	30		GEEDMM
CCC[C@@H](C)NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)[C@@H](C#N)CC)c1	ZINC000416966786	648220098	/nfs/dbraw/zinc/22/00/98/648220098.db2.gz	YSDBWGDNOSRKSC-CZUORRHYSA-N	-1	1	387.527	2.338	20	30		GEEDMM
CC#CC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000645884091	651665905	/nfs/dbraw/zinc/66/59/05/651665905.db2.gz	UUPAUAVBQTXZSF-VIFPVBQESA-N	-1	1	384.654	2.294	20	30		GEEDMM
N#CCCCS(=O)(=O)Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000742305550	651977603	/nfs/dbraw/zinc/97/76/03/651977603.db2.gz	HDZZAQSMAJVRSI-UHFFFAOYSA-N	-1	1	380.447	2.500	20	30		GEEDMM
O=[N+]([O-])c1cc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl	ZINC000748255571	652196967	/nfs/dbraw/zinc/19/69/67/652196967.db2.gz	ZBTFTLSZBOZMBG-UHFFFAOYSA-N	-1	1	384.757	2.469	20	30		GEEDMM
CC(=NNc1ccc(S(=O)(=O)[N-]c2nncs2)cc1)c1csc(N)n1	ZINC000751134357	652325328	/nfs/dbraw/zinc/32/53/28/652325328.db2.gz	JMCRZOKZNTZTKS-UHFFFAOYSA-N	-1	1	395.495	2.214	20	30		GEEDMM
CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)Cc2cccc(C#N)c2)[C@@H]1O	ZINC000582289926	652443740	/nfs/dbraw/zinc/44/37/40/652443740.db2.gz	LRMJEWPMLNOCHO-ZBFHGGJFSA-N	-1	1	378.475	2.312	20	30		GEEDMM
CSCC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1nnc2ccccn21	ZINC000593531476	652624497	/nfs/dbraw/zinc/62/44/97/652624497.db2.gz	SYFKAJMUFOXCRI-NSHDSACASA-N	-1	1	393.519	2.435	20	30		GEEDMM
COc1ccc(C=Nn2cnnc2-n2nc(C)cc2C)c(Br)c1[O-]	ZINC000761016831	652630170	/nfs/dbraw/zinc/63/01/70/652630170.db2.gz	ZWUIGYYMZCEFPX-UHFFFAOYSA-N	-1	1	391.229	2.440	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)cc1Br	ZINC000599481407	652875408	/nfs/dbraw/zinc/87/54/08/652875408.db2.gz	CSJUJTMIIXWWTR-ZWNOBZJWSA-N	-1	1	389.246	2.306	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCn3nccc32)cc1Br	ZINC000601538265	653109372	/nfs/dbraw/zinc/10/93/72/653109372.db2.gz	AWHOFJLONKESII-LBPRGKRZSA-N	-1	1	399.245	2.470	20	30		GEEDMM
C#C[C@@H](C)[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl	ZINC000770362578	653210307	/nfs/dbraw/zinc/21/03/07/653210307.db2.gz	XVWGQZAZLIBPNE-RXMQYKEDSA-N	-1	1	379.619	2.249	20	30		GEEDMM
CCn1ncc(Cl)c1C(=O)[N-]n1c(C)c(Br)c(C)c(C#N)c1=O	ZINC000857194467	653297035	/nfs/dbraw/zinc/29/70/35/653297035.db2.gz	NHDAAZZYBGQEPE-UHFFFAOYSA-N	-1	1	398.648	2.353	20	30		GEEDMM
N#Cc1ccc([C@H](OC(=O)c2ccc(Br)c([O-])c2)C(N)=O)cc1	ZINC000778826493	653458404	/nfs/dbraw/zinc/45/84/04/653458404.db2.gz	AERIFWLXNCAUJW-AWEZNQCLSA-N	-1	1	375.178	2.410	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(N)=O)CC3)cc1Cl	ZINC000782533837	653663905	/nfs/dbraw/zinc/66/39/05/653663905.db2.gz	NUQBJIYHNWOLJR-UHFFFAOYSA-N	-1	1	376.825	2.454	20	30		GEEDMM
C=CCCCS(=O)(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F	ZINC000817150699	653704467	/nfs/dbraw/zinc/70/44/67/653704467.db2.gz	RNYWABWGJRIBPM-CYBMUJFWSA-N	-1	1	376.400	2.392	20	30		GEEDMM
C#CC[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)cc2F)C1	ZINC000863416589	653711185	/nfs/dbraw/zinc/71/11/85/653711185.db2.gz	KMIFVNMHSLUAMF-ZDUSSCGKSA-N	-1	1	388.486	2.011	20	30		GEEDMM
N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1	ZINC000819897453	653761063	/nfs/dbraw/zinc/76/10/63/653761063.db2.gz	HPHWFWLSILSRSQ-JGVFFNPUSA-N	-1	1	392.206	2.467	20	30		GEEDMM
N#Cc1cc(Br)ccc1CC(=O)OCCC[N-]C(=O)C(F)(F)F	ZINC000845330169	653843693	/nfs/dbraw/zinc/84/36/93/653843693.db2.gz	KXBIYLSANIACGW-UHFFFAOYSA-N	-1	1	393.159	2.475	20	30		GEEDMM
CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cn1	ZINC000794519483	653910451	/nfs/dbraw/zinc/91/04/51/653910451.db2.gz	LWSURFVVOWQBIJ-UHFFFAOYSA-N	-1	1	399.226	2.455	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)CC)c1ccc(Br)cc1	ZINC000867316945	653914877	/nfs/dbraw/zinc/91/48/77/653914877.db2.gz	BAKAFPQSZCKMBR-BUXKBTBVSA-N	-1	1	379.301	2.076	20	30		GEEDMM
C#CCC1([N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCOCC1	ZINC000885838358	653958996	/nfs/dbraw/zinc/95/89/96/653958996.db2.gz	FUHVUFOVGIKUJU-UHFFFAOYSA-N	-1	1	393.690	2.348	20	30		GEEDMM
CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000795624546	653961427	/nfs/dbraw/zinc/96/14/27/653961427.db2.gz	GAWCTHBYMVVGRG-NSHDSACASA-N	-1	1	394.272	2.281	20	30		GEEDMM
Cc1nc(S(=O)(=O)[N-]Cc2ccc(CC#N)cc2)c(Br)n1C	ZINC000827833022	654010149	/nfs/dbraw/zinc/01/01/49/654010149.db2.gz	QYKJCVAMYCOGOS-UHFFFAOYSA-N	-1	1	383.271	2.036	20	30		GEEDMM
CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(OC)OC	ZINC000849405890	654024805	/nfs/dbraw/zinc/02/48/05/654024805.db2.gz	RDFQOPCCAWNHRP-LLVKDONJSA-N	-1	1	395.250	2.136	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br)C(C)C	ZINC000798471795	654065433	/nfs/dbraw/zinc/06/54/33/654065433.db2.gz	CZECXBNJLIKZKX-NSHDSACASA-N	-1	1	392.246	2.311	20	30		GEEDMM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F	ZINC000916153724	654085746	/nfs/dbraw/zinc/08/57/46/654085746.db2.gz	KATHDYNZJIFCLV-SECBINFHSA-N	-1	1	382.251	2.202	20	30		GEEDMM
CC1(O)CCC([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1	ZINC000830791873	654143150	/nfs/dbraw/zinc/14/31/50/654143150.db2.gz	ZNIGPRFZXDYUAA-UHFFFAOYSA-N	-1	1	391.262	2.432	20	30		GEEDMM
CC(=O)N1CCc2cc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)c(Cl)cc21	ZINC000901770437	654147784	/nfs/dbraw/zinc/14/77/84/654147784.db2.gz	YZVJBGKRMDXPJZ-CYBMUJFWSA-N	-1	1	395.790	2.372	20	30		GEEDMM
N#CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(C#N)c1)C(F)(F)F	ZINC000901947359	654156966	/nfs/dbraw/zinc/15/69/66/654156966.db2.gz	DEOYLWZWPOOXEY-SNVBAGLBSA-N	-1	1	382.161	2.444	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@H]1CCCO1	ZINC000831140951	654166760	/nfs/dbraw/zinc/16/67/60/654166760.db2.gz	OTGZNKQYTZSDPY-MWLCHTKSSA-N	-1	1	379.221	2.361	20	30		GEEDMM
C#C[C@H](CCC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F	ZINC000831299837	654177454	/nfs/dbraw/zinc/17/74/54/654177454.db2.gz	RYKFYRPPBIQUEH-GFCCVEGCSA-N	-1	1	376.475	2.058	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)C1CCOCC1	ZINC000851829975	654185736	/nfs/dbraw/zinc/18/57/36/654185736.db2.gz	UXVIZMGAUJAHGL-LLVKDONJSA-N	-1	1	393.690	2.204	20	30		GEEDMM
CC(C)(C)OC(=O)NCC[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)C(F)F	ZINC000831975855	654221774	/nfs/dbraw/zinc/22/17/74/654221774.db2.gz	HYPRVQUGJJYQFN-NSHDSACASA-N	-1	1	381.445	2.148	20	30		GEEDMM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000832596558	654279880	/nfs/dbraw/zinc/27/98/80/654279880.db2.gz	DSQYKWPLMUPEMD-MRVPVSSYSA-N	-1	1	397.222	2.102	20	30		GEEDMM
COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1ccc(C(F)(F)F)cc1	ZINC000921853381	654331339	/nfs/dbraw/zinc/33/13/39/654331339.db2.gz	GHHMWDJDFKEWOJ-LBPRGKRZSA-N	-1	1	378.372	2.389	20	30		GEEDMM
C[C@H](C(=O)[N-]CC(F)(F)F)S(=O)(=O)Cc1c(F)c(F)c(F)c(F)c1F	ZINC000912934734	654774689	/nfs/dbraw/zinc/77/46/89/654774689.db2.gz	PINRHCPECOPFQS-SCSAIBSYSA-N	-1	1	399.259	2.364	20	30		GEEDMM
O=C([O-])COc1ccc(Br)cc1C=NNCCN1CCCCC1	ZINC000915973890	654883600	/nfs/dbraw/zinc/88/36/00/654883600.db2.gz	AAXXAJXHOQRVIJ-UHFFFAOYSA-N	-1	1	384.274	2.322	20	30		GEEDMM
N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)ccc1Cl	ZINC000178144831	532194355	/nfs/dbraw/zinc/19/43/55/532194355.db2.gz	SEPFLGGWTSPNPC-UHFFFAOYSA-N	-1	1	382.850	2.342	20	30		GEEDMM
CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1	ZINC000515691672	532371461	/nfs/dbraw/zinc/37/14/61/532371461.db2.gz	AQVPIFAMLQGKJK-UHFFFAOYSA-N	-1	1	385.854	2.384	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CSCCN2Cc2ccccc2)o1	ZINC000516884696	532395492	/nfs/dbraw/zinc/39/54/92/532395492.db2.gz	KXQSTZXMUYLOKZ-HNNXBMFYSA-N	-1	1	377.491	2.047	20	30		GEEDMM
C[C@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(F)c2)cc1	ZINC000192127973	532387303	/nfs/dbraw/zinc/38/73/03/532387303.db2.gz	SPEDFLCDIRFOKU-GFCCVEGCSA-N	-1	1	382.438	2.453	20	30		GEEDMM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(=O)OC)c(F)cc1Br	ZINC000591338997	532408663	/nfs/dbraw/zinc/40/86/63/532408663.db2.gz	OCCHXTGRNZKYRQ-ZETCQYMHSA-N	-1	1	379.207	2.419	20	30		GEEDMM
CS(=O)(=O)Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000427269512	532418985	/nfs/dbraw/zinc/41/89/85/532418985.db2.gz	KRMPERCNFINHRZ-UHFFFAOYSA-N	-1	1	386.401	2.182	20	30		GEEDMM
C[C@H](CO)CCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295224206	532421342	/nfs/dbraw/zinc/42/13/42/532421342.db2.gz	WAEKYAKARUGOEV-VIFPVBQESA-N	-1	1	379.251	2.147	20	30		GEEDMM
CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F	ZINC000594701162	532520649	/nfs/dbraw/zinc/52/06/49/532520649.db2.gz	VIIWQEGNXDWLJU-LLVKDONJSA-N	-1	1	384.763	2.374	20	30		GEEDMM
CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000528494171	532567295	/nfs/dbraw/zinc/56/72/95/532567295.db2.gz	QDIACYNDNMFEMI-LKFCYVNXSA-N	-1	1	389.246	2.306	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)o1	ZINC000565840811	532579184	/nfs/dbraw/zinc/57/91/84/532579184.db2.gz	MRUHBNRUMBUEKQ-VIFPVBQESA-N	-1	1	383.788	2.028	20	30		GEEDMM
COc1cc(-c2noc([C@H](C)n3cnc(C#N)n3)n2)cc(Br)c1[O-]	ZINC000436878600	532645085	/nfs/dbraw/zinc/64/50/85/532645085.db2.gz	KKRPNMHLNKJFRG-ZETCQYMHSA-N	-1	1	391.185	2.286	20	30		GEEDMM
Cn1[n-]c(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)nc1=O	ZINC000329553808	532808296	/nfs/dbraw/zinc/80/82/96/532808296.db2.gz	DINLNNPMDXMDFZ-UHFFFAOYSA-N	-1	1	394.273	2.371	20	30		GEEDMM
C[C@@](O)(C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(F)(F)F	ZINC000287918656	532813305	/nfs/dbraw/zinc/81/33/05/532813305.db2.gz	UIAKFDJDKSDRHU-SECBINFHSA-N	-1	1	385.257	2.316	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)cc1Br	ZINC000330598406	532821774	/nfs/dbraw/zinc/82/17/74/532821774.db2.gz	TUHWSHMJNDFLEX-NSHDSACASA-N	-1	1	399.188	2.320	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CO)cc1Br	ZINC000330808646	532827899	/nfs/dbraw/zinc/82/78/99/532827899.db2.gz	JSRHZDBZMJUZKA-RNCFNFMXSA-N	-1	1	391.262	2.289	20	30		GEEDMM
C[C@@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000331340714	532838347	/nfs/dbraw/zinc/83/83/47/532838347.db2.gz	SIASTYWYYSIPIM-KBPBESRZSA-N	-1	1	391.262	2.289	20	30		GEEDMM
N#Cc1ccc(N2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)cn1	ZINC000366197717	532915256	/nfs/dbraw/zinc/91/52/56/532915256.db2.gz	ZPEBFBGIUSHDJT-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@](C)(C#N)C1CCCCC1	ZINC000737201779	598970578	/nfs/dbraw/zinc/97/05/78/598970578.db2.gz	WCBZNRYNQILRHW-FQEVSTJZSA-N	-1	1	397.483	2.496	20	30		GEEDMM
C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735443475	598984753	/nfs/dbraw/zinc/98/47/53/598984753.db2.gz	WNMKNGQTMGHSDF-UHFFFAOYSA-N	-1	1	395.375	2.005	20	30		GEEDMM
C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735443475	598984755	/nfs/dbraw/zinc/98/47/55/598984755.db2.gz	WNMKNGQTMGHSDF-UHFFFAOYSA-N	-1	1	395.375	2.005	20	30		GEEDMM
N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Br)cc1	ZINC000737674052	599021621	/nfs/dbraw/zinc/02/16/21/599021621.db2.gz	GBOGNRQAFACYMJ-ZDUSSCGKSA-N	-1	1	384.197	2.019	20	30		GEEDMM
N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Br)cc1	ZINC000737674052	599021622	/nfs/dbraw/zinc/02/16/22/599021622.db2.gz	GBOGNRQAFACYMJ-ZDUSSCGKSA-N	-1	1	384.197	2.019	20	30		GEEDMM
COc1cc(CN=Nc2oc(C)nc2-c2nn[n-]n2)c(SC)cc1OC	ZINC000737042485	599033538	/nfs/dbraw/zinc/03/35/38/599033538.db2.gz	AJCFOLNHCQMKAY-UHFFFAOYSA-N	-1	1	375.414	2.348	20	30		GEEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CC/C=C\c1ccc(Br)cc1	ZINC000737705399	599220522	/nfs/dbraw/zinc/22/05/22/599220522.db2.gz	OQOGJHXUSGCPBQ-IWQZZHSRSA-N	-1	1	385.229	2.383	20	30		GEEDMM
Cc1cc(C)n(N=Cc2cccc(OCCCC#N)c2)c(=O)c1-c1nn[n-]n1	ZINC000737255721	598363634	/nfs/dbraw/zinc/36/36/34/598363634.db2.gz	DRTXTGYGOGVUFQ-UHFFFAOYSA-N	-1	1	377.408	2.210	20	30		GEEDMM
C=CCNC(=O)COC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1	ZINC000735432876	598411453	/nfs/dbraw/zinc/41/14/53/598411453.db2.gz	XHIQBUFBTCHUDF-UHFFFAOYSA-N	-1	1	397.366	2.257	20	30		GEEDMM
C=CCNC(=O)COC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1	ZINC000735432876	598411454	/nfs/dbraw/zinc/41/14/54/598411454.db2.gz	XHIQBUFBTCHUDF-UHFFFAOYSA-N	-1	1	397.366	2.257	20	30		GEEDMM
C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000736206162	599793983	/nfs/dbraw/zinc/79/39/83/599793983.db2.gz	UJNMVHDSQDZUHA-OAHLLOKOSA-N	-1	1	385.464	2.113	20	30		GEEDMM
CSc1[nH]c(=O)c(C(=O)N[C@H](CCC#N)c2ccccc2)cc1-c1nn[n-]n1	ZINC000826229430	607464515	/nfs/dbraw/zinc/46/45/15/607464515.db2.gz	DKKDOFUXIMRBMG-CQSZACIVSA-N	-1	1	395.448	2.464	20	30		GEEDMM
C=CCn1c(CCN2CCCCC2)nn(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1=S	ZINC000825710805	601815709	/nfs/dbraw/zinc/81/57/09/601815709.db2.gz	BPTAJXLNZDRHIT-HZPDHXFCSA-N	-1	1	393.557	2.238	20	30		GEEDMM
C=CCc1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000823936990	607575898	/nfs/dbraw/zinc/57/58/98/607575898.db2.gz	CSIZQYHRFQHTOI-UHFFFAOYSA-N	-1	1	387.377	2.271	20	30		GEEDMM
N#CCc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1	ZINC000826382479	607577620	/nfs/dbraw/zinc/57/76/20/607577620.db2.gz	GQBHNQUMEXVJIR-UHFFFAOYSA-N	-1	1	375.797	2.354	20	30		GEEDMM
N#CCc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1	ZINC000826382479	607577621	/nfs/dbraw/zinc/57/76/21/607577621.db2.gz	GQBHNQUMEXVJIR-UHFFFAOYSA-N	-1	1	375.797	2.354	20	30		GEEDMM
CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1	ZINC000825399048	607597392	/nfs/dbraw/zinc/59/73/92/607597392.db2.gz	HGPHGUCQPPNOIH-SECBINFHSA-N	-1	1	388.375	2.056	20	30		GEEDMM
CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000825107189	607608470	/nfs/dbraw/zinc/60/84/70/607608470.db2.gz	NDHJGIAYYZBNCY-UHFFFAOYSA-N	-1	1	380.449	2.346	20	30		GEEDMM
C=CCOc1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000823932317	607612636	/nfs/dbraw/zinc/61/26/36/607612636.db2.gz	UOGVJTWUSQBIOO-UHFFFAOYSA-N	-1	1	389.412	2.049	20	30		GEEDMM
C=CCOc1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000823932317	607612638	/nfs/dbraw/zinc/61/26/38/607612638.db2.gz	UOGVJTWUSQBIOO-UHFFFAOYSA-N	-1	1	389.412	2.049	20	30		GEEDMM
CN(C[C@@H]1CCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(=O)[O-]	ZINC000828222681	603580453	/nfs/dbraw/zinc/58/04/53/603580453.db2.gz	CXUZYODDEWBQAN-LSDHHAIUSA-N	-1	1	379.420	2.298	20	30		GEEDMM
N#CC1(NC(=O)CC2CCN(C(=O)[O-])CC2)CCN(Cc2ccccc2)CC1	ZINC000833963181	605473124	/nfs/dbraw/zinc/47/31/24/605473124.db2.gz	HYMIWEPJMOJGPK-UHFFFAOYSA-N	-1	1	384.480	2.441	20	30		GEEDMM
N#Cc1ccc(F)c(CN2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c1	ZINC000833972960	605521474	/nfs/dbraw/zinc/52/14/74/605521474.db2.gz	FLSZXNZWISVONH-QAPCUYQASA-N	-1	1	388.443	2.168	20	30		GEEDMM
N#C[C@@H]1COCCN1C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1	ZINC000822805786	606284986	/nfs/dbraw/zinc/28/49/86/606284986.db2.gz	DEBZSLAGVAJMCG-CYBMUJFWSA-N	-1	1	394.366	2.163	20	30		GEEDMM
N#C[C@@H]1COCCN1C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1	ZINC000822805786	606284987	/nfs/dbraw/zinc/28/49/87/606284987.db2.gz	DEBZSLAGVAJMCG-CYBMUJFWSA-N	-1	1	394.366	2.163	20	30		GEEDMM
CS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1	ZINC000821936547	606390752	/nfs/dbraw/zinc/39/07/52/606390752.db2.gz	BOXDSIHHZRYNPQ-VURMDHGXSA-N	-1	1	375.435	2.196	20	30		GEEDMM
C=CCN=c1scc(-c2cnn(C)c2)n1N=Cc1ccc(-c2nn[n-]n2)s1	ZINC000819750344	606398609	/nfs/dbraw/zinc/39/86/09/606398609.db2.gz	DAXLVYCHJRPHFP-UHFFFAOYSA-N	-1	1	397.493	2.161	20	30		GEEDMM
Cc1cc(C)n(N=Cc2cnc(-c3ccccn3)s2)c(=O)c1-c1nn[n-]n1	ZINC000822198998	606600989	/nfs/dbraw/zinc/60/09/89/606600989.db2.gz	ROXOORIKVYAAAQ-UHFFFAOYSA-N	-1	1	378.421	2.046	20	30		GEEDMM
CC[C@@H](C#N)OC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000820842061	606613690	/nfs/dbraw/zinc/61/36/90/606613690.db2.gz	IWXCGAUAGJTLCC-LBPRGKRZSA-N	-1	1	397.395	2.176	20	30		GEEDMM
C=CCC(CC=C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1	ZINC000819733856	606922967	/nfs/dbraw/zinc/92/29/67/606922967.db2.gz	CYBZKTDQCAPLPG-UHFFFAOYSA-N	-1	1	383.456	2.149	20	30		GEEDMM
Cc1cc(C)n(N=Cc2nc3cc(Cl)ccc3n2C)c(=O)c1-c1nn[n-]n1	ZINC000826265862	607885542	/nfs/dbraw/zinc/88/55/42/607885542.db2.gz	QVZATIDIDIVOJN-UHFFFAOYSA-N	-1	1	382.815	2.068	20	30		GEEDMM
Cc1nn(-c2ccccc2)c(COC(=O)C#Cc2ccccc2)c1-c1nn[n-]n1	ZINC000826331917	608316620	/nfs/dbraw/zinc/31/66/20/608316620.db2.gz	CXASFUVUOQSJGU-UHFFFAOYSA-N	-1	1	384.399	2.456	20	30		GEEDMM
Cc1nn2c(C=Nn3c(C)cc(C)c(-c4nn[n-]n4)c3=O)c(C(C)C)nc2s1	ZINC000826334752	608318646	/nfs/dbraw/zinc/31/86/46/608318646.db2.gz	IEUGJDHHWIPAML-UHFFFAOYSA-N	-1	1	397.468	2.063	20	30		GEEDMM
C=CCSCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1	ZINC000823937434	609356974	/nfs/dbraw/zinc/35/69/74/609356974.db2.gz	XSSQNPGUAPUHQU-UHFFFAOYSA-N	-1	1	388.432	2.232	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@H]2C2CC2)cc1Br	ZINC000451350189	650105970	/nfs/dbraw/zinc/10/59/70/650105970.db2.gz	CGXLNSCWJXFWEQ-JSGCOSHPSA-N	-1	1	389.246	2.306	20	30		GEEDMM
CC(C)(C)C(=O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451398830	650111101	/nfs/dbraw/zinc/11/11/01/650111101.db2.gz	GCBMUMZMJKHLRT-UHFFFAOYSA-N	-1	1	377.235	2.353	20	30		GEEDMM
COCC1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1	ZINC000451520798	650123056	/nfs/dbraw/zinc/12/30/56/650123056.db2.gz	XGTZDKGMRQERHP-UHFFFAOYSA-N	-1	1	377.235	2.307	20	30		GEEDMM
N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1Br	ZINC000508072142	650473527	/nfs/dbraw/zinc/47/35/27/650473527.db2.gz	DWOBIIXIAAHOOF-UHFFFAOYSA-N	-1	1	380.223	2.220	20	30		GEEDMM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC	ZINC000510057661	650505896	/nfs/dbraw/zinc/50/58/96/650505896.db2.gz	LVQWEBRTBZKKPJ-VIFPVBQESA-N	-1	1	382.265	2.243	20	30		GEEDMM
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1	ZINC000060242175	642835075	/nfs/dbraw/zinc/83/50/75/642835075.db2.gz	ORVLYBOTXMRMRF-ZETCQYMHSA-N	-1	1	389.231	2.026	20	30		GEEDMM
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1	ZINC000060242175	642835077	/nfs/dbraw/zinc/83/50/77/642835077.db2.gz	ORVLYBOTXMRMRF-ZETCQYMHSA-N	-1	1	389.231	2.026	20	30		GEEDMM
N#Cc1ccc(N2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)nc1	ZINC000066049961	642895210	/nfs/dbraw/zinc/89/52/10/642895210.db2.gz	JESFRKKPXQJTET-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
N#CCN1CCC(C[N-]S(=O)(=O)c2sccc2Br)CC1	ZINC000151819081	643954389	/nfs/dbraw/zinc/95/43/89/643954389.db2.gz	LBEKFMKPMNUAEH-UHFFFAOYSA-N	-1	1	378.317	2.024	20	30		GEEDMM
C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1	ZINC000171065897	644305299	/nfs/dbraw/zinc/30/52/99/644305299.db2.gz	WJKDHQAJAVHOJT-UHFFFAOYSA-N	-1	1	384.244	2.287	20	30		GEEDMM
CCc1nnc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)s1	ZINC000416485196	648143890	/nfs/dbraw/zinc/14/38/90/648143890.db2.gz	ZUYVNWOGGVZRRD-UHFFFAOYSA-N	-1	1	387.284	2.213	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)cc1Br	ZINC000416670342	648207675	/nfs/dbraw/zinc/20/76/75/648207675.db2.gz	YTBWLCNCKJGRHA-KOLCDFICSA-N	-1	1	391.262	2.289	20	30		GEEDMM
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(OC)ccc1I	ZINC000416934003	648217383	/nfs/dbraw/zinc/21/73/83/648217383.db2.gz	CIHUBDCSKHFZTI-SECBINFHSA-N	-1	1	380.207	2.344	20	30		GEEDMM
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl	ZINC000436019593	648792287	/nfs/dbraw/zinc/79/22/87/648792287.db2.gz	ODJGGWGPLGGOML-UHFFFAOYSA-N	-1	1	399.881	2.263	20	30		GEEDMM
CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1	ZINC000603973391	651506429	/nfs/dbraw/zinc/50/64/29/651506429.db2.gz	FKTFCMYBABYYEL-UHFFFAOYSA-N	-1	1	385.854	2.384	20	30		GEEDMM
Cc1cc(=O)[n-]c(NN=C2CCS(=O)(=O)c3ccc(Br)cc32)n1	ZINC000729818088	651580846	/nfs/dbraw/zinc/58/08/46/651580846.db2.gz	GATVEYVPOTZURK-UHFFFAOYSA-N	-1	1	397.254	2.247	20	30		GEEDMM
CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000609198991	651613306	/nfs/dbraw/zinc/61/33/06/651613306.db2.gz	GRPOXUHPVHBCGV-UHFFFAOYSA-N	-1	1	391.490	2.148	20	30		GEEDMM
N#CC1(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCC1	ZINC000570301962	651759233	/nfs/dbraw/zinc/75/92/33/651759233.db2.gz	IBTLLCLPMKFPTL-UHFFFAOYSA-N	-1	1	376.265	2.224	20	30		GEEDMM
O=C([O-])COc1ccc(C=NNCCN2CCCCC2)cc1Br	ZINC000743438227	652019725	/nfs/dbraw/zinc/01/97/25/652019725.db2.gz	LKPNTADPJLGVFO-UHFFFAOYSA-N	-1	1	384.274	2.322	20	30		GEEDMM
N#Cc1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1Cl	ZINC000619752733	652076217	/nfs/dbraw/zinc/07/62/17/652076217.db2.gz	QKXFECKFQSRFJV-UHFFFAOYSA-N	-1	1	376.781	2.470	20	30		GEEDMM
CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000583659398	652493118	/nfs/dbraw/zinc/49/31/18/652493118.db2.gz	SZOXZVNBOSAUID-PELKAZGASA-N	-1	1	379.251	2.145	20	30		GEEDMM
[O-]c1c(O)cc(C=NN2C(=S)N=NC2[C@H]2CCCO2)cc1Br	ZINC000757570026	652518417	/nfs/dbraw/zinc/51/84/17/652518417.db2.gz	UCQZZRRABZLUQO-SNVBAGLBSA-N	-1	1	385.243	2.474	20	30		GEEDMM
CCN(C[C@H](C)C#N)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000584380917	652518898	/nfs/dbraw/zinc/51/88/98/652518898.db2.gz	YNRFWBMXLQDZHK-SNVBAGLBSA-N	-1	1	378.281	2.280	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccccc2OC(F)(F)F)o1	ZINC000588132263	652548550	/nfs/dbraw/zinc/54/85/50/652548550.db2.gz	BJQYFRTYUCNTQV-LLVKDONJSA-N	-1	1	376.312	2.062	20	30		GEEDMM
C#CCOc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)CC)c2)c1	ZINC000760362933	652605336	/nfs/dbraw/zinc/60/53/36/652605336.db2.gz	LQQMSROHOHKCGR-UHFFFAOYSA-N	-1	1	379.459	2.293	20	30		GEEDMM
[O-]c1c(Br)cc(O)cc1C=NNc1ccc(-n2ccnc2)nn1	ZINC000761858769	652659333	/nfs/dbraw/zinc/65/93/33/652659333.db2.gz	ZCQUSFWHWNWRPT-UHFFFAOYSA-N	-1	1	375.186	2.282	20	30		GEEDMM
CO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CCOC1	ZINC000594694638	652673314	/nfs/dbraw/zinc/67/33/14/652673314.db2.gz	NIAQXFQXGBJAPQ-BXUZGUMPSA-N	-1	1	378.372	2.370	20	30		GEEDMM
CCOC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F	ZINC000594698787	652675050	/nfs/dbraw/zinc/67/50/50/652675050.db2.gz	GPVFLEYHSOSJPA-NSHDSACASA-N	-1	1	384.763	2.374	20	30		GEEDMM
O=c1cn[n-]c(=S)n1N=Cc1cc(Br)ccc1OC(F)F	ZINC000766482958	652881749	/nfs/dbraw/zinc/88/17/49/652881749.db2.gz	QDQUEDJNJCNUQE-UHFFFAOYSA-N	-1	1	377.170	2.173	20	30		GEEDMM
CC(N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc([O-])c(Cl)c1	ZINC000768763504	653126205	/nfs/dbraw/zinc/12/62/05/653126205.db2.gz	HBMXXKRLUOSQDC-UHFFFAOYSA-N	-1	1	384.801	2.437	20	30		GEEDMM
CN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCC[C@H]1C#N	ZINC000601825595	653129099	/nfs/dbraw/zinc/12/90/99/653129099.db2.gz	IZQIUCQYTQWJGS-GXFFZTMASA-N	-1	1	390.292	2.422	20	30		GEEDMM
N#Cc1cnn2c1[nH]c(COC(=O)c1ccc(Br)c([O-])c1)cc2=O	ZINC000784325614	653691966	/nfs/dbraw/zinc/69/19/66/653691966.db2.gz	SJSFNEQQLFMXAD-UHFFFAOYSA-N	-1	1	389.165	2.132	20	30		GEEDMM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F	ZINC000841509347	653723528	/nfs/dbraw/zinc/72/35/28/653723528.db2.gz	MJEJYWYCGBHACP-SNVBAGLBSA-N	-1	1	379.837	2.119	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)[C@@H]1CCCO1	ZINC000841514528	653724647	/nfs/dbraw/zinc/72/46/47/653724647.db2.gz	IQDGZGRYZABXMO-KBPBESRZSA-N	-1	1	389.832	2.115	20	30		GEEDMM
C#CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C(=O)OC	ZINC000841541420	653730238	/nfs/dbraw/zinc/73/02/38/653730238.db2.gz	SOCLXTMLCZNZTN-SNVBAGLBSA-N	-1	1	398.637	2.085	20	30		GEEDMM
COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)CC#N)c(Br)o1	ZINC000841542591	653730497	/nfs/dbraw/zinc/73/04/97/653730497.db2.gz	LOCIUJZUDSLDIT-UHFFFAOYSA-N	-1	1	379.232	2.047	20	30		GEEDMM
C=CCn1cc(C[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)nn1	ZINC000882277281	653774370	/nfs/dbraw/zinc/77/43/70/653774370.db2.gz	DKXMVYYCYTWEKY-UHFFFAOYSA-N	-1	1	381.767	2.010	20	30		GEEDMM
COC(=O)c1cc(S(=O)(=O)[N-]CC2(C#N)CCCC2)c(Br)o1	ZINC000845965450	653873106	/nfs/dbraw/zinc/87/31/06/653873106.db2.gz	GHSJUXRCYJXCMN-UHFFFAOYSA-N	-1	1	391.243	2.191	20	30		GEEDMM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F	ZINC000867222190	653897599	/nfs/dbraw/zinc/89/75/99/653897599.db2.gz	BGEDSKKELSLOQH-KWDRZOKMSA-N	-1	1	376.475	2.098	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1)C(C)C	ZINC000867224685	653897833	/nfs/dbraw/zinc/89/78/33/653897833.db2.gz	RGVNMFVZQRBJQI-RBZFPXEDSA-N	-1	1	393.328	2.398	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccc(Br)cc1	ZINC000867317393	653914885	/nfs/dbraw/zinc/91/48/85/653914885.db2.gz	NLMOSEUQGQQCHL-ZDUSSCGKSA-N	-1	1	391.312	2.220	20	30		GEEDMM
CCOC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](C)C#N)c(F)cc1Br	ZINC000795866504	653972793	/nfs/dbraw/zinc/97/27/93/653972793.db2.gz	HZUUSTSFZORLAF-QMMMGPOBSA-N	-1	1	393.234	2.203	20	30		GEEDMM
CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1ccc(C#N)c([O-])c1	ZINC000188035801	532346380	/nfs/dbraw/zinc/34/63/80/532346380.db2.gz	RUVCPXFVRWTRBZ-UHFFFAOYSA-N	-1	1	389.209	2.132	20	30		GEEDMM
CC(C)c1nc(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)n[nH]1	ZINC000295266817	532427730	/nfs/dbraw/zinc/42/77/30/532427730.db2.gz	LPOOMFJBMLFCNC-UHFFFAOYSA-N	-1	1	384.259	2.041	20	30		GEEDMM
N#Cc1ccc(CS(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)c(F)c1	ZINC000561545502	532445102	/nfs/dbraw/zinc/44/51/02/532445102.db2.gz	FROKCCDCBQCOKZ-UHFFFAOYSA-N	-1	1	378.410	2.428	20	30		GEEDMM
C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295830258	532480019	/nfs/dbraw/zinc/48/00/19/532480019.db2.gz	CQTGHTAEMZGGDO-UWVGGRQHSA-N	-1	1	391.262	2.411	20	30		GEEDMM
C=CCN(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1nc2c(s1)CCCC2	ZINC000471136365	532543596	/nfs/dbraw/zinc/54/35/96/532543596.db2.gz	JSEBFURQEZAJTP-UHFFFAOYSA-N	-1	1	381.479	2.356	20	30		GEEDMM
CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CO1	ZINC000594788419	532528537	/nfs/dbraw/zinc/52/85/37/532528537.db2.gz	BWXIFOMLBOXQAF-SECBINFHSA-N	-1	1	377.235	2.306	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCO[C@@H]2CC2(F)F)cc1Br	ZINC000594838203	532533072	/nfs/dbraw/zinc/53/30/72/532533072.db2.gz	AWWGJYASXPNKLW-LLVKDONJSA-N	-1	1	399.188	2.162	20	30		GEEDMM
COC(=O)[C@H]([N-]S(=O)(=O)N(C)C[C@@H](C)C#N)c1ccc(Cl)cc1Cl	ZINC000409510539	532722762	/nfs/dbraw/zinc/72/27/62/532722762.db2.gz	BDUSJZCQCFMNKF-TVQRCGJNSA-N	-1	1	394.280	2.133	20	30		GEEDMM
CCOC(=O)c1cc(S(=O)(=O)[N-]CCCC#N)c(F)cc1Br	ZINC000286464460	532749038	/nfs/dbraw/zinc/74/90/38/532749038.db2.gz	OUQODAXCMHMZMH-UHFFFAOYSA-N	-1	1	393.234	2.347	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]CCc2cnc(SC3CCCC3)nc2)o1	ZINC000549553614	532794673	/nfs/dbraw/zinc/79/46/73/532794673.db2.gz	AQGDOPTXVBQVNF-UHFFFAOYSA-N	-1	1	378.479	2.497	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CO)cc1Br	ZINC000330808647	532827684	/nfs/dbraw/zinc/82/76/84/532827684.db2.gz	JSRHZDBZMJUZKA-TVQRCGJNSA-N	-1	1	391.262	2.289	20	30		GEEDMM
COc1cc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc(Cl)c1[O-]	ZINC000331288979	532837005	/nfs/dbraw/zinc/83/70/05/532837005.db2.gz	VNLRNOQXTFFAPA-CABZTGNLSA-N	-1	1	376.862	2.077	20	30		GEEDMM
N#CC1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1	ZINC000289595365	532860623	/nfs/dbraw/zinc/86/06/23/532860623.db2.gz	BFVHQQJAMAOESU-UHFFFAOYSA-N	-1	1	376.265	2.034	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@](C)(C#N)C1CCCCC1	ZINC000737201781	598970223	/nfs/dbraw/zinc/97/02/23/598970223.db2.gz	WCBZNRYNQILRHW-HXUWFJFHSA-N	-1	1	397.483	2.496	20	30		GEEDMM
C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735426261	599139391	/nfs/dbraw/zinc/13/93/91/599139391.db2.gz	NKCQVYGQSWETRJ-GFCCVEGCSA-N	-1	1	398.448	2.083	20	30		GEEDMM
C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735426261	599139392	/nfs/dbraw/zinc/13/93/92/599139392.db2.gz	NKCQVYGQSWETRJ-GFCCVEGCSA-N	-1	1	398.448	2.083	20	30		GEEDMM
C=CCSc1ccccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735443068	599139976	/nfs/dbraw/zinc/13/99/76/599139976.db2.gz	OJMBTNWNCALPOO-UHFFFAOYSA-N	-1	1	396.432	2.335	20	30		GEEDMM
C=CCSc1ccccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735443068	599139978	/nfs/dbraw/zinc/13/99/78/599139978.db2.gz	OJMBTNWNCALPOO-UHFFFAOYSA-N	-1	1	396.432	2.335	20	30		GEEDMM
N#Cc1cccc(-c2nnc(Cn3cc(-c4nn[n-]n4)c(=O)c4ccccc43)o2)c1	ZINC000737722294	599167823	/nfs/dbraw/zinc/16/78/23/599167823.db2.gz	HBLAPQSHWHNKAJ-UHFFFAOYSA-N	-1	1	396.370	2.152	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(CCC#N)CC(C)(C)C	ZINC000737199528	598242851	/nfs/dbraw/zinc/24/28/51/598242851.db2.gz	HOSNBCFGLZXMRV-UHFFFAOYSA-N	-1	1	385.472	2.305	20	30		GEEDMM
N#Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)ccc1F	ZINC000737708741	598593697	/nfs/dbraw/zinc/59/36/97/598593697.db2.gz	GLIKIZUQTZETKB-UHFFFAOYSA-N	-1	1	378.776	2.332	20	30		GEEDMM
N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1	ZINC000737712399	598693646	/nfs/dbraw/zinc/69/36/46/598693646.db2.gz	PRKJOESAKQKRNC-UHFFFAOYSA-N	-1	1	398.423	2.231	20	30		GEEDMM
N#Cc1cc(F)c(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c(F)c1	ZINC000737703506	598745448	/nfs/dbraw/zinc/74/54/48/598745448.db2.gz	BYXNBJKJWFWFKN-UHFFFAOYSA-N	-1	1	398.377	2.209	20	30		GEEDMM
COc1ccc2sc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)c(C)c2c1	ZINC000821854121	599314720	/nfs/dbraw/zinc/31/47/20/599314720.db2.gz	FAFOXAAQIGHSMW-UHFFFAOYSA-N	-1	1	380.393	2.246	20	30		GEEDMM
CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1C#N	ZINC000820177909	607375303	/nfs/dbraw/zinc/37/53/03/607375303.db2.gz	DIDXFWZNDAGWHM-UHFFFAOYSA-N	-1	1	384.421	2.326	20	30		GEEDMM
C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000736206161	599794044	/nfs/dbraw/zinc/79/40/44/599794044.db2.gz	UJNMVHDSQDZUHA-HNNXBMFYSA-N	-1	1	385.464	2.113	20	30		GEEDMM
O=C([O-])[C@@H]1CC12CCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC2	ZINC000739278516	600296391	/nfs/dbraw/zinc/29/63/91/600296391.db2.gz	NYGOKXZVZOSFRP-INIZCTEOSA-N	-1	1	394.393	2.360	20	30		GEEDMM
C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCN1C[C@@H](O)c1ccccc1	ZINC000736808035	600568588	/nfs/dbraw/zinc/56/85/88/600568588.db2.gz	NDYHXMGAGMMBJG-MAODMQOUSA-N	-1	1	379.460	2.424	20	30		GEEDMM
CSc1[nH]c(=O)c(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1-c1nn[n-]n1	ZINC000826229429	607464545	/nfs/dbraw/zinc/46/45/45/607464545.db2.gz	DKKDOFUXIMRBMG-AWEZNQCLSA-N	-1	1	395.448	2.464	20	30		GEEDMM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCSC[C@H]1CC(=O)[O-]	ZINC000833064450	601021965	/nfs/dbraw/zinc/02/19/65/601021965.db2.gz	JBMRCKNCSKUNBV-ZIAGYGMSSA-N	-1	1	382.445	2.116	20	30		GEEDMM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCSC[C@H]1CC(=O)[O-]	ZINC000833064445	601022239	/nfs/dbraw/zinc/02/22/39/601022239.db2.gz	JBMRCKNCSKUNBV-KGLIPLIRSA-N	-1	1	382.445	2.116	20	30		GEEDMM
CC(C)NS(=O)(=O)c1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000826984462	601299348	/nfs/dbraw/zinc/29/93/48/601299348.db2.gz	WGCZFJWDANMADE-GOSISDBHSA-N	-1	1	387.461	2.160	20	30		GEEDMM
N#Cc1cccc([C@H](NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C(=O)[O-])c1	ZINC000833076654	601303619	/nfs/dbraw/zinc/30/36/19/601303619.db2.gz	XSJPOXSGGGHVDE-PMACEKPBSA-N	-1	1	393.443	2.383	20	30		GEEDMM
C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCN1C[C@@H](O)c1ccccc1	ZINC000828413133	601315056	/nfs/dbraw/zinc/31/50/56/601315056.db2.gz	PRKQIKXHWOXWAR-HBGVWJBISA-N	-1	1	379.460	2.424	20	30		GEEDMM
N#CCc1ccnc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1	ZINC000833069130	601965273	/nfs/dbraw/zinc/96/52/73/601965273.db2.gz	NLGQTTMLEQPEII-UHFFFAOYSA-N	-1	1	396.222	2.409	20	30		GEEDMM
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](CN(C)C(=O)[O-])C1	ZINC000738611114	602529821	/nfs/dbraw/zinc/52/98/21/602529821.db2.gz	BVWWHZJBIXSRJY-HUUCEWRRSA-N	-1	1	376.432	2.393	20	30		GEEDMM
N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c(F)c1	ZINC000826385801	607675542	/nfs/dbraw/zinc/67/55/42/607675542.db2.gz	BFWWFNVKMHTOHE-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#CC(C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])c1nnc2n1CCCCC2	ZINC000831063989	604227534	/nfs/dbraw/zinc/22/75/34/604227534.db2.gz	ALFZZXWHLGMWDA-HOTGVXAUSA-N	-1	1	381.436	2.450	20	30		GEEDMM
COc1cccc(OCCN2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1	ZINC000832572474	604505745	/nfs/dbraw/zinc/50/57/45/604505745.db2.gz	DRVSAIPPBLTYHQ-OAQYLSRUSA-N	-1	1	395.459	2.389	20	30		GEEDMM
COc1cccc(OCCN2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1	ZINC000832572473	604506026	/nfs/dbraw/zinc/50/60/26/604506026.db2.gz	DRVSAIPPBLTYHQ-NRFANRHFSA-N	-1	1	395.459	2.389	20	30		GEEDMM
Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1cn2ccccc2c1C#N	ZINC000826294965	607718169	/nfs/dbraw/zinc/71/81/69/607718169.db2.gz	LHVUKGBIORMIML-UHFFFAOYSA-N	-1	1	382.387	2.058	20	30		GEEDMM
C=CCOc1ccc(/C=C\C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1OC	ZINC000833377947	605110761	/nfs/dbraw/zinc/11/07/61/605110761.db2.gz	RSQPCQSZTVIKMJ-IOBAAEILSA-N	-1	1	388.464	2.281	20	30		GEEDMM
C#CC[C@H](NCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccccc1	ZINC000833360248	605134454	/nfs/dbraw/zinc/13/44/54/605134454.db2.gz	HLBRULFTSPWLND-SFHVURJKSA-N	-1	1	380.400	2.464	20	30		GEEDMM
C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000779849581	605598128	/nfs/dbraw/zinc/59/81/28/605598128.db2.gz	WOQPBHJKBYKNHP-LBPRGKRZSA-N	-1	1	376.390	2.242	20	30		GEEDMM
N#Cc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)s1	ZINC000833971796	605686411	/nfs/dbraw/zinc/68/64/11/605686411.db2.gz	NUHHTVZWRLYNMZ-CZUORRHYSA-N	-1	1	376.482	2.090	20	30		GEEDMM
N#Cc1cccc(CN2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)c1F	ZINC000833978548	605952517	/nfs/dbraw/zinc/95/25/17/605952517.db2.gz	ONOABEGKKFQADD-RHSMWYFYSA-N	-1	1	388.443	2.168	20	30		GEEDMM
N#Cc1cccc(-c2nnc(COC(=O)c3ccc(-c4nnn[n-]4)s3)o2)c1	ZINC000822837572	606135009	/nfs/dbraw/zinc/13/50/09/606135009.db2.gz	ODAJFNDVBWUBHR-UHFFFAOYSA-N	-1	1	379.361	2.207	20	30		GEEDMM
N#Cc1cccc(-c2nnc(COC(=O)c3ccc(-c4nn[n-]n4)s3)o2)c1	ZINC000822837572	606135012	/nfs/dbraw/zinc/13/50/12/606135012.db2.gz	ODAJFNDVBWUBHR-UHFFFAOYSA-N	-1	1	379.361	2.207	20	30		GEEDMM
COC(=O)c1cc2c(o1)c(OC)ccc2CN=Nc1oc(C)nc1-c1nn[n-]n1	ZINC000821668886	606370287	/nfs/dbraw/zinc/37/02/87/606370287.db2.gz	NTFLDPFMOSPRPZ-UHFFFAOYSA-N	-1	1	397.351	2.151	20	30		GEEDMM
CN(C)C(=O)COc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1	ZINC000821578209	606390250	/nfs/dbraw/zinc/39/02/50/606390250.db2.gz	SRZDUPBZGVMHHL-SOFGYWHQSA-N	-1	1	383.433	2.291	20	30		GEEDMM
CCCCCCCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C	ZINC000821048938	606822543	/nfs/dbraw/zinc/82/25/43/606822543.db2.gz	GWXLDQGKWUAWTP-HNNXBMFYSA-N	-1	1	386.504	2.444	20	30		GEEDMM
CCCCCCCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C	ZINC000821048938	606822545	/nfs/dbraw/zinc/82/25/45/606822545.db2.gz	GWXLDQGKWUAWTP-HNNXBMFYSA-N	-1	1	386.504	2.444	20	30		GEEDMM
N#Cc1ccc(SCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)c(Cl)c1	ZINC000822833628	606852306	/nfs/dbraw/zinc/85/23/06/606852306.db2.gz	SWRFINPJBLQXAC-UHFFFAOYSA-N	-1	1	384.812	2.432	20	30		GEEDMM
CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1)c1cccc(OCC(=O)[O-])c1	ZINC000819782284	606856309	/nfs/dbraw/zinc/85/63/09/606856309.db2.gz	KOQJOOXVAGYRBB-UHFFFAOYSA-N	-1	1	399.411	2.452	20	30		GEEDMM
N#Cc1c(F)cccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1	ZINC000826383611	607867946	/nfs/dbraw/zinc/86/79/46/607867946.db2.gz	IRPWVMQXVNYMSF-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
Cc1cc(C)n(N=Cc2c(C3CC3)nc3sccn23)c(=O)c1-c1nn[n-]n1	ZINC000826265455	607885373	/nfs/dbraw/zinc/88/53/73/607885373.db2.gz	ZTPJTNFSIATJFJ-UHFFFAOYSA-N	-1	1	380.437	2.114	20	30		GEEDMM
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-]	ZINC000824206784	607999052	/nfs/dbraw/zinc/99/90/52/607999052.db2.gz	IUSKCWKTHMASPT-KRWDZBQOSA-N	-1	1	378.392	2.486	20	30		GEEDMM
CC(=NNC(=S)NCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)s1	ZINC000823953843	608094288	/nfs/dbraw/zinc/09/42/88/608094288.db2.gz	SBGIGDFGCVNAKG-UHFFFAOYSA-N	-1	1	375.458	2.456	20	30		GEEDMM
COC(=O)[C@H](C)n1cccc1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1	ZINC000826103115	608388611	/nfs/dbraw/zinc/38/86/11/608388611.db2.gz	CTTVUHKAKXFJQF-JTQLQIEISA-N	-1	1	386.416	2.134	20	30		GEEDMM
N#Cc1ccsc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1	ZINC000826387555	609291410	/nfs/dbraw/zinc/29/14/10/609291410.db2.gz	BMZZYGIWZNLUPT-UHFFFAOYSA-N	-1	1	380.368	2.377	20	30		GEEDMM
N#Cc1ccc(N2CCC[C@H](Nc3ccc(Cl)c(-c4nnn[n-]4)n3)C2=O)cc1	ZINC000826385523	609575272	/nfs/dbraw/zinc/57/52/72/609575272.db2.gz	PZJCYMUXMOJCDQ-AWEZNQCLSA-N	-1	1	394.826	2.394	20	30		GEEDMM
N#Cc1ccc(N2CCC[C@H](Nc3ccc(Cl)c(-c4nn[n-]n4)n3)C2=O)cc1	ZINC000826385523	609575275	/nfs/dbraw/zinc/57/52/75/609575275.db2.gz	PZJCYMUXMOJCDQ-AWEZNQCLSA-N	-1	1	394.826	2.394	20	30		GEEDMM
C=C1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)cc2F)CC1	ZINC000451177663	650093569	/nfs/dbraw/zinc/09/35/69/650093569.db2.gz	XEHHHXNBDMCAMZ-UHFFFAOYSA-N	-1	1	376.475	2.318	20	30		GEEDMM
C[C@]1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCOC1	ZINC000451183981	650094152	/nfs/dbraw/zinc/09/41/52/650094152.db2.gz	LSYGICPRRMZTNH-CYBMUJFWSA-N	-1	1	377.235	2.165	20	30		GEEDMM
C=C(C)COCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451309820	650102817	/nfs/dbraw/zinc/10/28/17/650102817.db2.gz	DTSXBZDWMYOHDV-UHFFFAOYSA-N	-1	1	377.235	2.331	20	30		GEEDMM
COC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C1CC1	ZINC000451350603	650106371	/nfs/dbraw/zinc/10/63/71/650106371.db2.gz	TXLGPWKUEGAJAO-GFCCVEGCSA-N	-1	1	377.235	2.163	20	30		GEEDMM
CC(C)CCN(CCC#N)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000507468276	650460998	/nfs/dbraw/zinc/46/09/98/650460998.db2.gz	ZAXTXNIQSXFOSX-UHFFFAOYSA-N	-1	1	391.490	2.148	20	30		GEEDMM
N#C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1c(Cl)cccc1Cl	ZINC000510599142	650515099	/nfs/dbraw/zinc/51/50/99/650515099.db2.gz	POHOOIZZDPCLQF-NSHDSACASA-N	-1	1	379.203	2.205	20	30		GEEDMM
N#C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(Cl)c(Cl)c1	ZINC000511081735	650525655	/nfs/dbraw/zinc/52/56/55/650525655.db2.gz	OUBHBIWAKKDALW-LBPRGKRZSA-N	-1	1	379.203	2.205	20	30		GEEDMM
CS(=O)(=O)CCc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1	ZINC000475787746	650538536	/nfs/dbraw/zinc/53/85/36/650538536.db2.gz	LCKOECVHEZBKFF-UHFFFAOYSA-N	-1	1	378.475	2.141	20	30		GEEDMM
Cn1ncc2c1[n-]cc(C(=O)N[C@@H](C#N)c1ccc(Br)cc1)c2=O	ZINC000511964581	650543247	/nfs/dbraw/zinc/54/32/47/650543247.db2.gz	LZDCKEXZFCQZNF-ZDUSSCGKSA-N	-1	1	386.209	2.431	20	30		GEEDMM
C=C(C)CN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC	ZINC000534146141	650769157	/nfs/dbraw/zinc/76/91/57/650769157.db2.gz	ONKDLIYKVNJHBM-UHFFFAOYSA-N	-1	1	390.527	2.434	20	30		GEEDMM
CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1F	ZINC000498009188	650845190	/nfs/dbraw/zinc/84/51/90/650845190.db2.gz	OFSHBDCQHWCPSL-UHFFFAOYSA-N	-1	1	383.426	2.260	20	30		GEEDMM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1	ZINC000408462170	647955050	/nfs/dbraw/zinc/95/50/50/647955050.db2.gz	YBRSZUQICLRGQM-PSASIEDQSA-N	-1	1	377.235	2.306	20	30		GEEDMM
Cc1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)CC#N)cc2)c(F)c1	ZINC000430671037	648765071	/nfs/dbraw/zinc/76/50/71/648765071.db2.gz	VTROVFOMQXUNKN-UHFFFAOYSA-N	-1	1	382.438	2.373	20	30		GEEDMM
C#CC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl	ZINC000717801565	651475024	/nfs/dbraw/zinc/47/50/24/651475024.db2.gz	LLJHKPCCPCRFFC-MRVPVSSYSA-N	-1	1	387.082	2.418	20	30		GEEDMM
Cn1nc(Br)c2c1ncnc2NN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000726741936	651501493	/nfs/dbraw/zinc/50/14/93/651501493.db2.gz	WNKVHYZCMWFUKE-UHFFFAOYSA-N	-1	1	392.173	2.186	20	30		GEEDMM
CCC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc(Br)ccc1O	ZINC000731154942	651620345	/nfs/dbraw/zinc/62/03/45/651620345.db2.gz	LASJMEOIZGMEML-UHFFFAOYSA-N	-1	1	377.202	2.126	20	30		GEEDMM
CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H](C(N)=O)c1cccc(Br)c1	ZINC000614720483	651834912	/nfs/dbraw/zinc/83/49/12/651834912.db2.gz	AYPUAODOLWUECZ-HNNXBMFYSA-N	-1	1	388.221	2.325	20	30		GEEDMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cc2c(c(Cl)c1)OCO2	ZINC000748255549	652196995	/nfs/dbraw/zinc/19/69/95/652196995.db2.gz	YQFHQWQHGRXERR-UHFFFAOYSA-N	-1	1	383.769	2.289	20	30		GEEDMM
CSCC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1nnc2ccccn21	ZINC000593531467	652624578	/nfs/dbraw/zinc/62/45/78/652624578.db2.gz	SYFKAJMUFOXCRI-LLVKDONJSA-N	-1	1	393.519	2.435	20	30		GEEDMM
Cc1ccc([C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H](C)S(C)(=O)=O)cc1	ZINC000593591368	652627212	/nfs/dbraw/zinc/62/72/12/652627212.db2.gz	VBSUGNRKIYYQIG-BLLLJJGKSA-N	-1	1	398.531	2.381	20	30		GEEDMM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N([C@H](C)C#N)C2CC2)c(F)c1	ZINC000594726630	652677114	/nfs/dbraw/zinc/67/71/14/652677114.db2.gz	HSLUCNUFHVBFBS-LLVKDONJSA-N	-1	1	389.474	2.043	20	30		GEEDMM
C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(Br)cc2C#N)o1	ZINC000805398437	653114810	/nfs/dbraw/zinc/11/48/10/653114810.db2.gz	OTCDVXBSVHIUBY-UHFFFAOYSA-N	-1	1	399.222	2.179	20	30		GEEDMM
C=CCN1C(=S)N=NC1Cc1csc([N-]C(=O)c2cc(OC)no2)n1	ZINC000768698547	653124861	/nfs/dbraw/zinc/12/48/61/653124861.db2.gz	UAWRXZCVHVEMCT-UHFFFAOYSA-N	-1	1	378.439	2.049	20	30		GEEDMM
COC(=O)c1cc(F)c(Br)c(S(=O)(=O)[N-]CCCCC#N)c1	ZINC000770246481	653204461	/nfs/dbraw/zinc/20/44/61/653204461.db2.gz	DBPZUPLHMWGQFK-UHFFFAOYSA-N	-1	1	393.234	2.347	20	30		GEEDMM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br	ZINC000770272861	653206555	/nfs/dbraw/zinc/20/65/55/653206555.db2.gz	FGUDOFLQSYHGGL-VIFPVBQESA-N	-1	1	393.234	2.345	20	30		GEEDMM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F	ZINC000859424404	653462394	/nfs/dbraw/zinc/46/23/94/653462394.db2.gz	QXJBSQCEUMFITJ-LLVKDONJSA-N	-1	1	391.848	2.363	20	30		GEEDMM
O=c1nc(NN=C2CCCc3sc(Br)cc32)nc2[nH][n-]cc1-2	ZINC000814842669	653640330	/nfs/dbraw/zinc/64/03/30/653640330.db2.gz	DRAFSMPBBWTPDK-UHFFFAOYSA-N	-1	1	379.243	2.409	20	30		GEEDMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ncc(Br)s1	ZINC000814864985	653640480	/nfs/dbraw/zinc/64/04/80/653640480.db2.gz	MDJAFDQKASLROL-UHFFFAOYSA-N	-1	1	391.228	2.126	20	30		GEEDMM
C[C@H]1CN(C(=O)c2ccc(I)cc2[O-])C[C@H](C)N1CC#N	ZINC000880452865	653706287	/nfs/dbraw/zinc/70/62/87/653706287.db2.gz	RQBBCWHAQUPJCN-QWRGUYRKSA-N	-1	1	399.232	2.055	20	30		GEEDMM
N#CCN1CCC(C[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1	ZINC000881988072	653755342	/nfs/dbraw/zinc/75/53/42/653755342.db2.gz	OJLDXIGTUDQPNN-UHFFFAOYSA-N	-1	1	396.822	2.268	20	30		GEEDMM
COC(=O)c1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)c1	ZINC000789127196	653769663	/nfs/dbraw/zinc/76/96/63/653769663.db2.gz	LJUZAKLVYKUOST-YVACAVLKSA-N	-1	1	393.189	2.464	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C1CCOCC1	ZINC000882414701	653780771	/nfs/dbraw/zinc/78/07/71/653780771.db2.gz	MPIPCVYTGRGMQQ-NSHDSACASA-N	-1	1	382.791	2.461	20	30		GEEDMM
C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000882846919	653813499	/nfs/dbraw/zinc/81/34/99/653813499.db2.gz	XUIIBVQNLCGJRH-SNVBAGLBSA-N	-1	1	377.235	2.065	20	30		GEEDMM
CC[C@H](NN=Cc1ccc(Cl)c(I)c1O)C(=O)[O-]	ZINC000793056385	653864804	/nfs/dbraw/zinc/86/48/04/653864804.db2.gz	GTKVFNIQEMXJPD-QMMMGPOBSA-N	-1	1	382.585	2.437	20	30		GEEDMM
CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2SCC#N)c1	ZINC000794123793	653897724	/nfs/dbraw/zinc/89/77/24/653897724.db2.gz	CWKIEAMUQPFYSH-UHFFFAOYSA-N	-1	1	377.447	2.168	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)C(C)C	ZINC000867224686	653897797	/nfs/dbraw/zinc/89/77/97/653897797.db2.gz	RGVNMFVZQRBJQI-RNODOKPDSA-N	-1	1	393.328	2.398	20	30		GEEDMM
C=CCNS(=O)(=O)c1ccc(CC(=O)[N-]OCCCC(F)(F)F)s1	ZINC000825360953	653926296	/nfs/dbraw/zinc/92/62/96/653926296.db2.gz	PFLBLOZBGRMKJV-UHFFFAOYSA-N	-1	1	386.417	2.145	20	30		GEEDMM
N#Cc1ncn(CCCC(=O)c2ccc(Br)cc2)c1-c1nn[n-]n1	ZINC000826388247	653950262	/nfs/dbraw/zinc/95/02/62/653950262.db2.gz	ORVNGANEANWZBA-UHFFFAOYSA-N	-1	1	386.213	2.360	20	30		GEEDMM
C#CCSCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795855194	653971106	/nfs/dbraw/zinc/97/11/06/653971106.db2.gz	IEENXYXAADHQRM-UHFFFAOYSA-N	-1	1	397.247	2.141	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CCOCC1	ZINC000851826958	654184694	/nfs/dbraw/zinc/18/46/94/654184694.db2.gz	CRHLVDPTURPLEJ-LBPRGKRZSA-N	-1	1	376.793	2.094	20	30		GEEDMM
C=CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OCC	ZINC000832550197	654274430	/nfs/dbraw/zinc/27/44/30/654274430.db2.gz	LZIFVSKSTWPJEW-NSHDSACASA-N	-1	1	376.818	2.424	20	30		GEEDMM
CC(C)(C)OC(=O)N=c1[n-]c(C=NNC(=S)NC[C@@H]2CCCO2)cs1	ZINC000872330763	654323099	/nfs/dbraw/zinc/32/30/99/654323099.db2.gz	UBDVMSRSJMJJJO-NSHDSACASA-N	-1	1	385.515	2.467	20	30		GEEDMM
COC(=O)[C@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1ccc(F)c(C)c1	ZINC000914381050	654849747	/nfs/dbraw/zinc/84/97/47/654849747.db2.gz	LXZCBRFMBQSTPB-OAHLLOKOSA-N	-1	1	382.438	2.401	20	30		GEEDMM
N#Cc1ccnc(N2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)c1	ZINC000030936709	531641919	/nfs/dbraw/zinc/64/19/19/531641919.db2.gz	IPEUQROPMRPWHO-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
C#CCSCCNC(=O)CCn1c(-c2ccc(OC)cc2)n[n-]c1=S	ZINC000156115605	531716544	/nfs/dbraw/zinc/71/65/44/531716544.db2.gz	HYNTXYXXFQKURO-UHFFFAOYSA-N	-1	1	376.507	2.489	20	30		GEEDMM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(Cl)c3)cc2n(C)c1=O	ZINC000180177492	532260002	/nfs/dbraw/zinc/26/00/02/532260002.db2.gz	MEAOGLVPGPTZNT-UHFFFAOYSA-N	-1	1	376.825	2.203	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3Br)C2)o1	ZINC000557819214	532374764	/nfs/dbraw/zinc/37/47/64/532374764.db2.gz	FAFBKZHYGKAYRV-LLVKDONJSA-N	-1	1	396.266	2.471	20	30		GEEDMM
C[C@@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2)cc1	ZINC000192128989	532387740	/nfs/dbraw/zinc/38/77/40/532387740.db2.gz	BHKJJVYDVWUICS-LBPRGKRZSA-N	-1	1	382.438	2.453	20	30		GEEDMM
N#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)cc1[O-]	ZINC000566027364	532589226	/nfs/dbraw/zinc/58/92/26/532589226.db2.gz	LEOVAQIBHYXIMT-CQSZACIVSA-N	-1	1	386.205	2.172	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)o1	ZINC000376327587	532608482	/nfs/dbraw/zinc/60/84/82/532608482.db2.gz	KOMAGKAYUCGLHG-NSHDSACASA-N	-1	1	379.825	2.136	20	30		GEEDMM
N#Cc1cccc(N2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)n1	ZINC000436985817	532647652	/nfs/dbraw/zinc/64/76/52/532647652.db2.gz	PRUIVGVOLVNDSZ-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
N#Cc1ccc(F)c(CS(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)c1	ZINC000599373463	532658895	/nfs/dbraw/zinc/65/88/95/532658895.db2.gz	WHCRYAHCVSZAEB-ZDUSSCGKSA-N	-1	1	376.335	2.117	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)Nc2ccc(Br)c(C(=O)[O-])c2)cn1	ZINC000318137105	532784749	/nfs/dbraw/zinc/78/47/49/532784749.db2.gz	BUOOPRPPLAZWOY-UHFFFAOYSA-N	-1	1	382.195	2.215	20	30		GEEDMM
CC(C)(C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000331335536	532838171	/nfs/dbraw/zinc/83/81/71/532838171.db2.gz	QCGLRRQHTHBHPA-LBPRGKRZSA-N	-1	1	379.251	2.145	20	30		GEEDMM
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1	ZINC000735418947	598996797	/nfs/dbraw/zinc/99/67/97/598996797.db2.gz	MHMUGGSFKNVORG-UHFFFAOYSA-N	-1	1	389.419	2.328	20	30		GEEDMM
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1	ZINC000735418947	598996799	/nfs/dbraw/zinc/99/67/99/598996799.db2.gz	MHMUGGSFKNVORG-UHFFFAOYSA-N	-1	1	389.419	2.328	20	30		GEEDMM
N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1Br	ZINC000737677049	599033688	/nfs/dbraw/zinc/03/36/88/599033688.db2.gz	YTLYTKJTJDTLOH-ZDUSSCGKSA-N	-1	1	384.197	2.019	20	30		GEEDMM
N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1Br	ZINC000737677049	599033690	/nfs/dbraw/zinc/03/36/90/599033690.db2.gz	YTLYTKJTJDTLOH-ZDUSSCGKSA-N	-1	1	384.197	2.019	20	30		GEEDMM
C=CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1	ZINC000735410199	599218251	/nfs/dbraw/zinc/21/82/51/599218251.db2.gz	WXEKUOKXPXMVHH-GFCCVEGCSA-N	-1	1	393.407	2.073	20	30		GEEDMM
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000736183474	598401059	/nfs/dbraw/zinc/40/10/59/598401059.db2.gz	RYOWDJZSDPETKM-ZCFIWIBFSA-N	-1	1	393.194	2.174	20	30		GEEDMM
C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000819745832	599339651	/nfs/dbraw/zinc/33/96/51/599339651.db2.gz	SHMGMGLCTWNENZ-UHFFFAOYSA-N	-1	1	398.423	2.254	20	30		GEEDMM
C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000819745832	599339653	/nfs/dbraw/zinc/33/96/53/599339653.db2.gz	SHMGMGLCTWNENZ-UHFFFAOYSA-N	-1	1	398.423	2.254	20	30		GEEDMM
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000736056316	599604142	/nfs/dbraw/zinc/60/41/42/599604142.db2.gz	ATQROTCOVXOTJT-MRVPVSSYSA-N	-1	1	390.329	2.298	20	30		GEEDMM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1	ZINC000739103604	600563003	/nfs/dbraw/zinc/56/30/03/600563003.db2.gz	CADQGTRLZVAXBF-NRFANRHFSA-N	-1	1	393.443	2.273	20	30		GEEDMM
CS(=O)(=O)Nc1ccc(F)cc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738164155	600610883	/nfs/dbraw/zinc/61/08/83/600610883.db2.gz	NAHDCCXVBZPDSC-HNNXBMFYSA-N	-1	1	392.364	2.052	20	30		GEEDMM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCSC[C@@H]1CC(=O)[O-]	ZINC000833064443	601022022	/nfs/dbraw/zinc/02/20/22/601022022.db2.gz	JBMRCKNCSKUNBV-KBPBESRZSA-N	-1	1	382.445	2.116	20	30		GEEDMM
NC(=NOCc1noc(CCCC(=O)[O-])n1)c1ccc(N2CCCCC2)cc1	ZINC000833077883	601056554	/nfs/dbraw/zinc/05/65/54/601056554.db2.gz	GBQPKXWGHYILJM-UHFFFAOYSA-N	-1	1	387.440	2.304	20	30		GEEDMM
CS(=O)(=O)Nc1cc(F)ccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000832699621	601349252	/nfs/dbraw/zinc/34/92/52/601349252.db2.gz	MTCVFLHNKYVCCG-OAHLLOKOSA-N	-1	1	392.364	2.052	20	30		GEEDMM
COc1cc(C#N)ccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1	ZINC000826177155	607577395	/nfs/dbraw/zinc/57/73/95/607577395.db2.gz	UPTKYYRXMJTDBA-UHFFFAOYSA-N	-1	1	391.796	2.168	20	30		GEEDMM
COc1cc(C#N)ccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000826177155	607577393	/nfs/dbraw/zinc/57/73/93/607577393.db2.gz	UPTKYYRXMJTDBA-UHFFFAOYSA-N	-1	1	391.796	2.168	20	30		GEEDMM
N#Cc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c(Cl)c1	ZINC000826386257	607580675	/nfs/dbraw/zinc/58/06/75/607580675.db2.gz	WHJUTJRDIXYRPE-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#Cc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(Cl)c1	ZINC000826386257	607580677	/nfs/dbraw/zinc/58/06/77/607580677.db2.gz	WHJUTJRDIXYRPE-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1	ZINC000826384697	607601323	/nfs/dbraw/zinc/60/13/23/607601323.db2.gz	GGFOJCLZAAFHAG-UHFFFAOYSA-N	-1	1	398.423	2.231	20	30		GEEDMM
COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(CNC(=O)[O-])o2)cc1OC	ZINC000829440235	604222193	/nfs/dbraw/zinc/22/21/93/604222193.db2.gz	BYRLIRCUJPKFNY-LBPRGKRZSA-N	-1	1	387.348	2.026	20	30		GEEDMM
N#CCC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1	ZINC000826381656	607680143	/nfs/dbraw/zinc/68/01/43/607680143.db2.gz	UBIQHDKAFZFJQQ-OAHLLOKOSA-N	-1	1	386.412	2.329	20	30		GEEDMM
N#Cc1ccc(CN2CCCN(C(=O)CC[C@@H]3CCN(C(=O)[O-])C3)CC2)cc1	ZINC000833971523	605395504	/nfs/dbraw/zinc/39/55/04/605395504.db2.gz	IYVFURQZULLSOE-LJQANCHMSA-N	-1	1	384.480	2.373	20	30		GEEDMM
N#Cc1cc(CN2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)ccc1F	ZINC000833970371	605514106	/nfs/dbraw/zinc/51/41/06/605514106.db2.gz	NBBMFXSYAOMOEW-QAPCUYQASA-N	-1	1	388.443	2.168	20	30		GEEDMM
N#Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c(F)c1	ZINC000833972082	605514910	/nfs/dbraw/zinc/51/49/10/605514910.db2.gz	UQTGQHUIASKDKF-YJBOKZPZSA-N	-1	1	388.443	2.168	20	30		GEEDMM
N#Cc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c(F)c1	ZINC000833972081	605515392	/nfs/dbraw/zinc/51/53/92/605515392.db2.gz	UQTGQHUIASKDKF-QAPCUYQASA-N	-1	1	388.443	2.168	20	30		GEEDMM
N#Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)s1	ZINC000833971797	605686465	/nfs/dbraw/zinc/68/64/65/605686465.db2.gz	NUHHTVZWRLYNMZ-XJKSGUPXSA-N	-1	1	376.482	2.090	20	30		GEEDMM
Cc1ccc(C#N)cc1S(=O)(=O)Nc1cnc2c(c1)C[C@H](NC(=O)[O-])CC2	ZINC000833902593	606078640	/nfs/dbraw/zinc/07/86/40/606078640.db2.gz	YZLUQIIRJKVIMV-CQSZACIVSA-N	-1	1	386.433	2.187	20	30		GEEDMM
CN(C)S(=O)(=O)c1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1	ZINC000821588406	606390578	/nfs/dbraw/zinc/39/05/78/606390578.db2.gz	QRPHNJNDKWMFQG-VURMDHGXSA-N	-1	1	389.462	2.075	20	30		GEEDMM
Brc1cn2ccnc2c(N=NCc2ccc(-c3nn[n-]n3)s2)n1	ZINC000819688108	606623053	/nfs/dbraw/zinc/62/30/53/606623053.db2.gz	DDCYXQAYGIWTQB-UHFFFAOYSA-N	-1	1	390.230	2.179	20	30		GEEDMM
COc1ccc(C(C)N=Nc2oc(C)nc2-c2nn[n-]n2)cc1Cn1cccn1	ZINC000821777921	606623410	/nfs/dbraw/zinc/62/34/10/606623410.db2.gz	OYGLBGKTXWTIEF-UHFFFAOYSA-N	-1	1	393.411	2.253	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(Br)cc2O)o1	ZINC000819781693	606766041	/nfs/dbraw/zinc/76/60/41/606766041.db2.gz	CVXQVKGXTJYVLC-UHFFFAOYSA-N	-1	1	378.190	2.467	20	30		GEEDMM
Cc1nc2scc(C3CC3)n2c1C=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O	ZINC000822198731	606989368	/nfs/dbraw/zinc/98/93/68/606989368.db2.gz	IDETXBFPQTUELR-UHFFFAOYSA-N	-1	1	394.464	2.422	20	30		GEEDMM
C#CCOCCC(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C	ZINC000823856669	607881589	/nfs/dbraw/zinc/88/15/89/607881589.db2.gz	VUURAIUJOYMYHN-UHFFFAOYSA-N	-1	1	378.392	2.341	20	30		GEEDMM
C#CC[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccc1	ZINC000823838247	607937867	/nfs/dbraw/zinc/93/78/67/607937867.db2.gz	MULQOEYTYTYGJT-HNNXBMFYSA-N	-1	1	389.387	2.188	20	30		GEEDMM
C=CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccc(OC)cc1	ZINC000823937323	608392941	/nfs/dbraw/zinc/39/29/41/608392941.db2.gz	RSXZRCXIPFWMNG-UHFFFAOYSA-N	-1	1	393.436	2.261	20	30		GEEDMM
C=CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccc(OC)cc1	ZINC000823937323	608392942	/nfs/dbraw/zinc/39/29/42/608392942.db2.gz	RSXZRCXIPFWMNG-UHFFFAOYSA-N	-1	1	393.436	2.261	20	30		GEEDMM
Cc1cc(C)n(N=CC(C)(C)N(C)C(=O)OC(C)(C)C)c(=O)c1-c1nn[n-]n1	ZINC000826264789	608883191	/nfs/dbraw/zinc/88/31/91/608883191.db2.gz	ACLXTPKJEZCNAO-UHFFFAOYSA-N	-1	1	389.460	2.125	20	30		GEEDMM
C=CCSCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F	ZINC000451125325	650089087	/nfs/dbraw/zinc/08/90/87/650089087.db2.gz	KXKAHTLEQKJHGK-UHFFFAOYSA-N	-1	1	396.531	2.175	20	30		GEEDMM
C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451582174	650127483	/nfs/dbraw/zinc/12/74/83/650127483.db2.gz	FKABTZCXGOKZJO-OTYXRUKQSA-N	-1	1	391.262	2.289	20	30		GEEDMM
CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000452028302	650168243	/nfs/dbraw/zinc/16/82/43/650168243.db2.gz	ZMZNDRAOFOOYPD-QMMMGPOBSA-N	-1	1	393.234	2.078	20	30		GEEDMM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1	ZINC000462082391	650466189	/nfs/dbraw/zinc/46/61/89/650466189.db2.gz	CNCUMWJEJPMIGX-HNNXBMFYSA-N	-1	1	385.511	2.214	20	30		GEEDMM
C[S@](=O)Cc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1	ZINC000510721868	650518288	/nfs/dbraw/zinc/51/82/88/650518288.db2.gz	VDUQTJDIUVLNTD-DEOSSOPVSA-N	-1	1	384.429	2.193	20	30		GEEDMM
O=S(=O)([N-]CC[C@@H](O)C(F)(F)F)c1cccc(OC(F)(F)F)c1F	ZINC000489471587	650759303	/nfs/dbraw/zinc/75/93/03/650759303.db2.gz	FBWDGYMUIIFRHC-MRVPVSSYSA-N	-1	1	385.257	2.316	20	30		GEEDMM
C#CCCCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F	ZINC000126565721	643735352	/nfs/dbraw/zinc/73/53/52/643735352.db2.gz	PFUWKYFGNLAMCR-UHFFFAOYSA-N	-1	1	392.246	2.457	20	30		GEEDMM
N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(N)=O)ccc1Cl	ZINC000156401543	644094132	/nfs/dbraw/zinc/09/41/32/644094132.db2.gz	MKBPKNRKXQYHIW-UHFFFAOYSA-N	-1	1	376.825	2.454	20	30		GEEDMM
C=CC[C@@H](CC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC	ZINC000546054997	650989234	/nfs/dbraw/zinc/98/92/34/650989234.db2.gz	NXQDPTAMDDUYDX-CYBMUJFWSA-N	-1	1	390.527	2.480	20	30		GEEDMM
COc1ccc(-c2nnc(S(=O)(=O)CCCC#N)[n-]2)cc1Br	ZINC000195223774	645363608	/nfs/dbraw/zinc/36/36/08/645363608.db2.gz	XFUMMOLPPXGBGT-UHFFFAOYSA-N	-1	1	385.243	2.320	20	30		GEEDMM
COc1ccc(-c2nc(S(=O)(=O)CCCC#N)n[n-]2)cc1Br	ZINC000195223774	645363612	/nfs/dbraw/zinc/36/36/12/645363612.db2.gz	XFUMMOLPPXGBGT-UHFFFAOYSA-N	-1	1	385.243	2.320	20	30		GEEDMM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)OCC(F)(F)F)cc1	ZINC000265661686	645788928	/nfs/dbraw/zinc/78/89/28/645788928.db2.gz	SAIZSXKYFUTUNN-UHFFFAOYSA-N	-1	1	375.390	2.496	20	30		GEEDMM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1	ZINC000408462172	647955423	/nfs/dbraw/zinc/95/54/23/647955423.db2.gz	YBRSZUQICLRGQM-WCBMZHEXSA-N	-1	1	377.235	2.306	20	30		GEEDMM
C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1nc2c(s1)CCC2	ZINC000416539537	648165600	/nfs/dbraw/zinc/16/56/00/648165600.db2.gz	SKMQJOUETJAWAQ-SECBINFHSA-N	-1	1	378.435	2.451	20	30		GEEDMM
Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(NS(C)(=O)=O)c2)ccc1C#N	ZINC000435719517	648785879	/nfs/dbraw/zinc/78/58/79/648785879.db2.gz	NJPKCOIADGTJTH-UHFFFAOYSA-N	-1	1	379.463	2.347	20	30		GEEDMM
CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000557844333	651274519	/nfs/dbraw/zinc/27/45/19/651274519.db2.gz	BWBXRDVYTURJDB-CQSZACIVSA-N	-1	1	382.825	2.257	20	30		GEEDMM
C#CC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl	ZINC000717801568	651475016	/nfs/dbraw/zinc/47/50/16/651475016.db2.gz	LLJHKPCCPCRFFC-QMMMGPOBSA-N	-1	1	387.082	2.418	20	30		GEEDMM
CO[C@@H](C[N-]C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F	ZINC000733674082	651716921	/nfs/dbraw/zinc/71/69/21/651716921.db2.gz	LJPMXBHDVKJVEB-VKHMYHEASA-N	-1	1	380.191	2.014	20	30		GEEDMM
CS(=O)(=O)Nc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1F	ZINC000619461461	652059822	/nfs/dbraw/zinc/05/98/22/652059822.db2.gz	GNUUSGDINUCXDF-UHFFFAOYSA-N	-1	1	383.426	2.064	20	30		GEEDMM
O=C1NC2(CCCCC2)C(=O)N1N=Cc1cc(O)cc(Br)c1[O-]	ZINC000755543920	652468622	/nfs/dbraw/zinc/46/86/22/652468622.db2.gz	OTCXNAOFKRSXSR-UHFFFAOYSA-N	-1	1	382.214	2.449	20	30		GEEDMM
Cc1ccc(S(=O)(=O)NN=Cc2cc(O)c([O-])c(Br)c2)cc1	ZINC000757561083	652518098	/nfs/dbraw/zinc/51/80/98/652518098.db2.gz	NVPKHWLSIWKKSS-UHFFFAOYSA-N	-1	1	385.239	2.481	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)cc1Br	ZINC000599481406	652875553	/nfs/dbraw/zinc/87/55/53/652875553.db2.gz	CSJUJTMIIXWWTR-MFKMUULPSA-N	-1	1	389.246	2.306	20	30		GEEDMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cncc(Br)c1	ZINC000767385420	652922201	/nfs/dbraw/zinc/92/22/01/652922201.db2.gz	OYJIJUFLTIXQDH-UHFFFAOYSA-N	-1	1	385.199	2.065	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)CCSc2nc(C(F)(F)F)cc(=O)[n-]2)nc1	ZINC000808021774	653214806	/nfs/dbraw/zinc/21/48/06/653214806.db2.gz	CHYMEFAHBLIDPN-UHFFFAOYSA-N	-1	1	390.368	2.034	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]Nc2c(F)cc(F)cc2Br)o1	ZINC000808095773	653217971	/nfs/dbraw/zinc/21/79/71/653217971.db2.gz	RYAXEYKSZBAOLQ-UHFFFAOYSA-N	-1	1	378.154	2.497	20	30		GEEDMM
C=CCC1([N-]S(=O)(=O)c2ccc(Br)nc2F)CCOCC1	ZINC000859222270	653425245	/nfs/dbraw/zinc/42/52/45/653425245.db2.gz	ONSCDONZQXPTPC-UHFFFAOYSA-N	-1	1	379.251	2.387	20	30		GEEDMM
C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(C#N)cc2Br)o1	ZINC000778104850	653428531	/nfs/dbraw/zinc/42/85/31/653428531.db2.gz	YBHDDWOENUWRMO-UHFFFAOYSA-N	-1	1	399.222	2.179	20	30		GEEDMM
Cn1nc(C(F)(F)F)c(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1Cl	ZINC000781589772	653644828	/nfs/dbraw/zinc/64/48/28/653644828.db2.gz	OILXIAKTOVUCIX-UHFFFAOYSA-N	-1	1	391.762	2.165	20	30		GEEDMM
Cc1nc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c(Br)n1C	ZINC000840945804	653702653	/nfs/dbraw/zinc/70/26/53/653702653.db2.gz	YFAJICYNJOLEMD-NOZJJQNGSA-N	-1	1	375.292	2.242	20	30		GEEDMM
O=C(OCCOCC(F)(F)C(F)(F)F)[C@@H]1CC[C@H](C(F)(F)F)[N-]C1=O	ZINC000787631604	653741164	/nfs/dbraw/zinc/74/11/64/653741164.db2.gz	CQLUFZMNFYLHTL-RNFRBKRXSA-N	-1	1	387.223	2.201	20	30		GEEDMM
COCCn1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1	ZINC000842288162	653751113	/nfs/dbraw/zinc/75/11/13/653751113.db2.gz	FOWMDLAOVDHFJC-LBPRGKRZSA-N	-1	1	382.207	2.192	20	30		GEEDMM
C=C(Cl)C[C@H]([N-]S(=O)(=O)Cc1cc(F)ccc1OC)C(=O)OCC	ZINC000882471609	653783543	/nfs/dbraw/zinc/78/35/43/653783543.db2.gz	XUQAZNJQWFDXOX-ZDUSSCGKSA-N	-1	1	379.837	2.328	20	30		GEEDMM
C[C@H](CC#N)[N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1	ZINC000866673843	653809533	/nfs/dbraw/zinc/80/95/33/653809533.db2.gz	JQRHADSRPUBJBI-HOGDKLEQSA-N	-1	1	380.289	2.042	20	30		GEEDMM
O=c1cn[n-]c(=S)n1N=Cc1ccc(OC(F)(F)F)c(Br)c1	ZINC000794538980	653911109	/nfs/dbraw/zinc/91/11/09/653911109.db2.gz	ZUYFPVVZTJJXJW-UHFFFAOYSA-N	-1	1	395.160	2.470	20	30		GEEDMM
C#CCC1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1	ZINC000885840642	653959388	/nfs/dbraw/zinc/95/93/88/653959388.db2.gz	KKCLDBRLVMSIKC-UHFFFAOYSA-N	-1	1	376.793	2.238	20	30		GEEDMM
C#CCC[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F	ZINC000798488378	654065960	/nfs/dbraw/zinc/06/59/60/654065960.db2.gz	NRHSWGSCYOYPQL-MRVPVSSYSA-N	-1	1	384.654	2.294	20	30		GEEDMM
C#CCSCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000830654618	654132395	/nfs/dbraw/zinc/13/23/95/654132395.db2.gz	SURVIYRGHWKPMH-UHFFFAOYSA-N	-1	1	377.260	2.105	20	30		GEEDMM
C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F	ZINC000919807906	654193039	/nfs/dbraw/zinc/19/30/39/654193039.db2.gz	GSDMBQALLBQEIA-VIFPVBQESA-N	-1	1	382.251	2.202	20	30		GEEDMM
CC(C)(C)OC(=O)NCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(F)F	ZINC000831970674	654220808	/nfs/dbraw/zinc/22/08/08/654220808.db2.gz	DPSTXASDVUKACX-JTQLQIEISA-N	-1	1	395.453	2.447	20	30		GEEDMM
Cc1nc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)c(Br)n1C	ZINC000805022550	654336960	/nfs/dbraw/zinc/33/69/60/654336960.db2.gz	WDXAYDGMZMKBKS-SECBINFHSA-N	-1	1	383.271	2.402	20	30		GEEDMM
C=C(Cl)C[C@@H](NC(=O)NC[C@@H](C(CC)CC)N1CCOCC1)C(=O)[O-]	ZINC000908774730	654639553	/nfs/dbraw/zinc/63/95/53/654639553.db2.gz	VOUJFVHCTYMNSO-CABCVRRESA-N	-1	1	375.897	2.018	20	30		GEEDMM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F	ZINC000914328712	654845656	/nfs/dbraw/zinc/84/56/56/654845656.db2.gz	GSKRPLZLDKYEPH-SECBINFHSA-N	-1	1	382.251	2.060	20	30		GEEDMM
COc1cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc(Cl)c1OC	ZINC000914600109	654855760	/nfs/dbraw/zinc/85/57/60/654855760.db2.gz	NWFAVNYUSXMISD-UHFFFAOYSA-N	-1	1	379.825	2.430	20	30		GEEDMM
C=CC[C@@H](CC)[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12	ZINC000915199468	654865423	/nfs/dbraw/zinc/86/54/23/654865423.db2.gz	MOVPDCOHMIQLRZ-SNVBAGLBSA-N	-1	1	389.275	2.133	20	30		GEEDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)co1	ZINC000132995920	532224812	/nfs/dbraw/zinc/22/48/12/532224812.db2.gz	OARYHZPVMZPOHJ-LBPRGKRZSA-N	-1	1	388.232	2.489	20	30		GEEDMM
CC1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCOCC1	ZINC000295196629	532417840	/nfs/dbraw/zinc/41/78/40/532417840.db2.gz	RUAKTVPJSVOHBF-UHFFFAOYSA-N	-1	1	377.235	2.307	20	30		GEEDMM
N#Cc1ccc(N2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)cn1	ZINC000373376211	532445637	/nfs/dbraw/zinc/44/56/37/532445637.db2.gz	HZHIVCPMPLWZBW-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295830506	532480534	/nfs/dbraw/zinc/48/05/34/532480534.db2.gz	CKAVWQAFLVFLSX-UFBFGSQYSA-N	-1	1	377.235	2.163	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H](O)C23CCC3)cc1Br	ZINC000594866165	532537892	/nfs/dbraw/zinc/53/78/92/532537892.db2.gz	ZNKWBDSKKOELKL-OLZOCXBDSA-N	-1	1	389.246	2.042	20	30		GEEDMM
CC(C)(C)[C@@H](C#N)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000565012704	532542793	/nfs/dbraw/zinc/54/27/93/532542793.db2.gz	BHFHNURSYJQJBH-LLVKDONJSA-N	-1	1	378.281	2.326	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cc1Br	ZINC000432771207	532545037	/nfs/dbraw/zinc/54/50/37/532545037.db2.gz	JTCATTSUXNXBCU-UHFFFAOYSA-N	-1	1	394.250	2.149	20	30		GEEDMM
CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1	ZINC000432769148	532545248	/nfs/dbraw/zinc/54/52/48/532545248.db2.gz	ZXENMMXFDQHUOM-UHFFFAOYSA-N	-1	1	394.250	2.481	20	30		GEEDMM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000581529972	532756784	/nfs/dbraw/zinc/75/67/84/532756784.db2.gz	FFIFFXDAEYEOLB-NEPJUHHUSA-N	-1	1	375.219	2.082	20	30		GEEDMM
CS(=O)(=O)N1CCC(CNC(=O)c2ccc(Br)cc2[O-])CC1	ZINC000331227872	532836227	/nfs/dbraw/zinc/83/62/27/532836227.db2.gz	FCJJQYWLSXCTCP-UHFFFAOYSA-N	-1	1	391.287	2.131	20	30		GEEDMM
Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Br)ccc2C#N)no1	ZINC000416393234	532875558	/nfs/dbraw/zinc/87/55/58/532875558.db2.gz	WFGSWSAOTMCZBS-UHFFFAOYSA-N	-1	1	385.243	2.226	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CN=NC3=O)c2)cc1Cl	ZINC000364034576	532902970	/nfs/dbraw/zinc/90/29/70/532902970.db2.gz	OEYRHBWEFHUISD-UHFFFAOYSA-N	-1	1	375.797	2.299	20	30		GEEDMM
C=CCOc1ccccc1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000735436464	598710311	/nfs/dbraw/zinc/71/03/11/598710311.db2.gz	KPVXCAYRJQTYES-UHFFFAOYSA-N	-1	1	389.412	2.049	20	30		GEEDMM
N#Cc1ccc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c(F)c1	ZINC000737717239	598745460	/nfs/dbraw/zinc/74/54/60/598745460.db2.gz	BJGDCRQGNLGRRP-UHFFFAOYSA-N	-1	1	380.387	2.069	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)c1ccc(C#N)cc1	ZINC000737199586	599306706	/nfs/dbraw/zinc/30/67/06/599306706.db2.gz	IKZRISKKINKJHM-UHFFFAOYSA-N	-1	1	377.408	2.051	20	30		GEEDMM
CCOc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3nnn[n-]3)o2)cc1	ZINC000821400982	599334353	/nfs/dbraw/zinc/33/43/53/599334353.db2.gz	RKPJAMQCEZGFIZ-UHFFFAOYSA-N	-1	1	382.409	2.288	20	30		GEEDMM
CCOc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3nn[n-]n3)o2)cc1	ZINC000821400982	599334356	/nfs/dbraw/zinc/33/43/56/599334356.db2.gz	RKPJAMQCEZGFIZ-UHFFFAOYSA-N	-1	1	382.409	2.288	20	30		GEEDMM
CN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1	ZINC000821613308	599335535	/nfs/dbraw/zinc/33/55/35/599335535.db2.gz	HSFVLARIXWHVQV-UHFFFAOYSA-N	-1	1	388.840	2.212	20	30		GEEDMM
Cc1cc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)ccc1-n1cncn1	ZINC000822198762	599337399	/nfs/dbraw/zinc/33/73/99/599337399.db2.gz	JKTJHKACWCYLMZ-UHFFFAOYSA-N	-1	1	378.400	2.313	20	30		GEEDMM
C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCN1C[C@@H](O)c1ccccc1	ZINC000736808029	600568252	/nfs/dbraw/zinc/56/82/52/600568252.db2.gz	NDYHXMGAGMMBJG-HBGVWJBISA-N	-1	1	379.460	2.424	20	30		GEEDMM
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)c1C#N	ZINC000832849410	601926298	/nfs/dbraw/zinc/92/62/98/601926298.db2.gz	GHJBNXBOWXZTGQ-FQEVSTJZSA-N	-1	1	384.436	2.353	20	30		GEEDMM
C[C@@H]1CN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[C@@H]1NC(=O)[O-]	ZINC000739179030	602775841	/nfs/dbraw/zinc/77/58/41/602775841.db2.gz	KZWMKVHTQXAHRA-YUELXQCFSA-N	-1	1	379.420	2.202	20	30		GEEDMM
C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccc(C#N)cc1	ZINC000824640995	607586600	/nfs/dbraw/zinc/58/66/00/607586600.db2.gz	QSAHYFLYYWEJDZ-SNVBAGLBSA-N	-1	1	388.840	2.431	20	30		GEEDMM
C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccc(C#N)cc1	ZINC000824640995	607586602	/nfs/dbraw/zinc/58/66/02/607586602.db2.gz	QSAHYFLYYWEJDZ-SNVBAGLBSA-N	-1	1	388.840	2.431	20	30		GEEDMM
C=CCOc1ccccc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000823932314	607612691	/nfs/dbraw/zinc/61/26/91/607612691.db2.gz	ULAKHWGILDZIGK-UHFFFAOYSA-N	-1	1	389.412	2.049	20	30		GEEDMM
C#CC[C@@H](NCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccccc1	ZINC000833360245	605134105	/nfs/dbraw/zinc/13/41/05/605134105.db2.gz	HLBRULFTSPWLND-GOSISDBHSA-N	-1	1	380.400	2.464	20	30		GEEDMM
C#CCN1CCC(C(=O)N(C)[C@H](C(=O)[O-])c2cccc(Br)c2)CC1	ZINC000833364174	605177096	/nfs/dbraw/zinc/17/70/96/605177096.db2.gz	GKJSTGXJEQNERX-INIZCTEOSA-N	-1	1	393.281	2.378	20	30		GEEDMM
C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)c1cn(CCC#N)c2ccccc12	ZINC000833628171	605199078	/nfs/dbraw/zinc/19/90/78/605199078.db2.gz	CKKXSBNIXBSUPU-MRXNPFEDSA-N	-1	1	382.464	2.218	20	30		GEEDMM
N#Cc1ccc(F)c(CN2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)c1	ZINC000833972957	605521392	/nfs/dbraw/zinc/52/13/92/605521392.db2.gz	FLSZXNZWISVONH-MAUKXSAKSA-N	-1	1	388.443	2.168	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc(F)cc1C#N	ZINC000822010255	606268552	/nfs/dbraw/zinc/26/85/52/606268552.db2.gz	VJAJGQBOQFTPEY-UHFFFAOYSA-N	-1	1	381.371	2.166	20	30		GEEDMM
C=CCn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1-c1cnccn1	ZINC000819766098	607036105	/nfs/dbraw/zinc/03/61/05/607036105.db2.gz	VDSADHCWGKSRNP-UHFFFAOYSA-N	-1	1	381.400	2.392	20	30		GEEDMM
C=CCn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1-c1cnccn1	ZINC000819766098	607036107	/nfs/dbraw/zinc/03/61/07/607036107.db2.gz	VDSADHCWGKSRNP-UHFFFAOYSA-N	-1	1	381.400	2.392	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)CCCOc2ccc3c(c2)CCCC3)nc1-c1nn[nH]n1	ZINC000822814010	607146090	/nfs/dbraw/zinc/14/60/90/607146090.db2.gz	AWUYBLPFFAVLOJ-UHFFFAOYSA-N	-1	1	392.423	2.138	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Oc1ccc(C#N)cc1F	ZINC000822010311	607245388	/nfs/dbraw/zinc/24/53/88/607245388.db2.gz	XMMPBAVXONRKPB-UHFFFAOYSA-N	-1	1	382.355	2.133	20	30		GEEDMM
[O-]c1c(Br)cc(O)cc1C=NNc1ccc(-c2nn[nH]n2)cc1	ZINC000826510980	607886547	/nfs/dbraw/zinc/88/65/47/607886547.db2.gz	WDATYFRZYFPKPT-UHFFFAOYSA-N	-1	1	375.186	2.486	20	30		GEEDMM
CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cn(-c3ccccc3)nn2)o1	ZINC000824280327	607886613	/nfs/dbraw/zinc/88/66/13/607886613.db2.gz	KAWVWEUFQWVQDN-UHFFFAOYSA-N	-1	1	378.400	2.080	20	30		GEEDMM
COC1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1	ZINC000451382671	650109688	/nfs/dbraw/zinc/10/96/88/650109688.db2.gz	IQXHTXPVHYWBSO-UHFFFAOYSA-N	-1	1	377.235	2.307	20	30		GEEDMM
C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451582177	650127526	/nfs/dbraw/zinc/12/75/26/650127526.db2.gz	FKABTZCXGOKZJO-YMTOWFKASA-N	-1	1	391.262	2.289	20	30		GEEDMM
C=C(CC)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC	ZINC000452047759	650168819	/nfs/dbraw/zinc/16/88/19/650168819.db2.gz	ZPMMPWOHKNSVFS-UHFFFAOYSA-N	-1	1	376.500	2.091	20	30		GEEDMM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC	ZINC000508067232	650473308	/nfs/dbraw/zinc/47/33/08/650473308.db2.gz	IDTHONBQZPEFCC-AWEZNQCLSA-N	-1	1	395.264	2.377	20	30		GEEDMM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)cc1	ZINC000508075092	650473687	/nfs/dbraw/zinc/47/36/87/650473687.db2.gz	WBLXDFIRMXAEBD-UHFFFAOYSA-N	-1	1	394.250	2.481	20	30		GEEDMM
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000509169170	650488526	/nfs/dbraw/zinc/48/85/26/650488526.db2.gz	IBYNDMPQBJKTLZ-SNVBAGLBSA-N	-1	1	379.825	2.223	20	30		GEEDMM
N#C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1c(Cl)cccc1Cl	ZINC000510599136	650515070	/nfs/dbraw/zinc/51/50/70/650515070.db2.gz	POHOOIZZDPCLQF-LLVKDONJSA-N	-1	1	379.203	2.205	20	30		GEEDMM
CN(C)S(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1Cl	ZINC000534206491	650770648	/nfs/dbraw/zinc/77/06/48/650770648.db2.gz	FQTREYJWAFTRAX-UHFFFAOYSA-N	-1	1	399.881	2.263	20	30		GEEDMM
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1	ZINC000066081111	642896417	/nfs/dbraw/zinc/89/64/17/642896417.db2.gz	MSVJMVZWAURXIV-SSDOTTSWSA-N	-1	1	378.332	2.283	20	30		GEEDMM
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1	ZINC000066081111	642896421	/nfs/dbraw/zinc/89/64/21/642896421.db2.gz	MSVJMVZWAURXIV-SSDOTTSWSA-N	-1	1	378.332	2.283	20	30		GEEDMM
C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1	ZINC000066587714	642925540	/nfs/dbraw/zinc/92/55/40/642925540.db2.gz	PKUIAOHECGENEF-UHFFFAOYSA-N	-1	1	382.463	2.090	20	30		GEEDMM
C#Cc1cccc(N(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1	ZINC000103061253	643152166	/nfs/dbraw/zinc/15/21/66/643152166.db2.gz	REFPAENFPIBFSJ-UHFFFAOYSA-N	-1	1	382.438	2.004	20	30		GEEDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)co1	ZINC000132724553	643885747	/nfs/dbraw/zinc/88/57/47/643885747.db2.gz	YLKQSUBNLXLTNA-LLVKDONJSA-N	-1	1	388.232	2.489	20	30		GEEDMM
CC#CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000543785615	650924198	/nfs/dbraw/zinc/92/41/98/650924198.db2.gz	NTMACYYKULRECS-SECBINFHSA-N	-1	1	381.193	2.047	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-][C@H]2CCN(c3ccccc3Cl)C2=O)CCCC1	ZINC000546063455	650989964	/nfs/dbraw/zinc/98/99/64/650989964.db2.gz	HSKHQYFQHVILMP-AWEZNQCLSA-N	-1	1	381.885	2.449	20	30		GEEDMM
CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)[C@@H](C)C#N	ZINC000416425094	648123768	/nfs/dbraw/zinc/12/37/68/648123768.db2.gz	CAARUBMXFLTMSM-TVQRCGJNSA-N	-1	1	379.265	2.299	20	30		GEEDMM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)N(CC(F)F)C(=O)CS2	ZINC000416959890	648218994	/nfs/dbraw/zinc/21/89/94/648218994.db2.gz	NLWCVIXAXNZEHL-SNVBAGLBSA-N	-1	1	375.422	2.434	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)CCC1	ZINC000603421278	651489387	/nfs/dbraw/zinc/48/93/87/651489387.db2.gz	DFMREXJIUKFTOD-ZIAGYGMSSA-N	-1	1	376.400	2.134	20	30		GEEDMM
CC(Cc1ccc(Br)cc1F)N=Nc1nc2[nH][n-]cc-2c(=O)n1	ZINC000731154553	651620300	/nfs/dbraw/zinc/62/03/00/651620300.db2.gz	RNTKGZUMCYJYJP-UHFFFAOYSA-N	-1	1	379.193	2.364	20	30		GEEDMM
O=c1nc(NN=C2CCc3c2cc(Br)cc3F)nc2[nH][n-]cc1-2	ZINC000731154908	651620381	/nfs/dbraw/zinc/62/03/81/651620381.db2.gz	JKEBLLFIKRGJTQ-UHFFFAOYSA-N	-1	1	377.177	2.096	20	30		GEEDMM
CC(C)c1nn(C)c(Cl)c1C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000748255183	652196897	/nfs/dbraw/zinc/19/68/97/652196897.db2.gz	PDWFYCZJBVGTOB-UHFFFAOYSA-N	-1	1	385.833	2.418	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CC(=O)C2CCCC2)cc1Br	ZINC000625544961	652354466	/nfs/dbraw/zinc/35/44/66/652354466.db2.gz	IPEHZOIYOBSUKZ-UHFFFAOYSA-N	-1	1	389.246	2.497	20	30		GEEDMM
O=S(=O)([N-][C@@H](CO)CC(F)(F)F)c1c(F)cccc1OC(F)(F)F	ZINC000580110306	652367224	/nfs/dbraw/zinc/36/72/24/652367224.db2.gz	HVFJWWIJKWEWJN-ZCFIWIBFSA-N	-1	1	385.257	2.316	20	30		GEEDMM
C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc(C#N)ccc2Br)o1	ZINC000755531052	652468310	/nfs/dbraw/zinc/46/83/10/652468310.db2.gz	OAOZFJMJSJDWIY-UHFFFAOYSA-N	-1	1	399.222	2.179	20	30		GEEDMM
CCOC(=O)c1sc([N-]C(=O)c2coc(S(C)(=O)=O)c2)c(C#N)c1C	ZINC000593002513	652611247	/nfs/dbraw/zinc/61/12/47/652611247.db2.gz	DCRYMBFHUQLOPJ-UHFFFAOYSA-N	-1	1	382.419	2.354	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](CO)CC2CC2)cc1Br	ZINC000594866905	652694347	/nfs/dbraw/zinc/69/43/47/652694347.db2.gz	VFWOYWBNBMECPA-JTQLQIEISA-N	-1	1	391.262	2.147	20	30		GEEDMM
CC(C)(C)OC(=O)Nc1nc(Cl)ccc1C=Nn1c(=O)cn[n-]c1=S	ZINC000766483503	652881962	/nfs/dbraw/zinc/88/19/62/652881962.db2.gz	XXUKWLBSSOARHU-UHFFFAOYSA-N	-1	1	382.833	2.205	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)[C@@H]1CCCO1	ZINC000773058835	653178076	/nfs/dbraw/zinc/17/80/76/653178076.db2.gz	VEROKQRORXXKSW-NEPJUHHUSA-N	-1	1	380.210	2.186	20	30		GEEDMM
CCS(=O)(=O)c1c(Cl)cccc1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000774122891	653225795	/nfs/dbraw/zinc/22/57/95/653225795.db2.gz	YXMIVHWRUVFGDB-KIUWMYQTSA-N	-1	1	382.821	2.362	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H]1CCCO1	ZINC000809833667	653306744	/nfs/dbraw/zinc/30/67/44/653306744.db2.gz	MLACQAXJIJXOQA-JQWIXIFHSA-N	-1	1	379.221	2.361	20	30		GEEDMM
C=CCNc1ncc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1	ZINC000812279039	653419958	/nfs/dbraw/zinc/41/99/58/653419958.db2.gz	RUDWWSSVRHOBJE-JTQLQIEISA-N	-1	1	376.404	2.272	20	30		GEEDMM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(Br)cnc1Cl	ZINC000859426418	653463375	/nfs/dbraw/zinc/46/33/75/653463375.db2.gz	RBWQTLUVVKWMTH-JTQLQIEISA-N	-1	1	381.679	2.204	20	30		GEEDMM
Cc1nc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c(Br)n1C	ZINC000840945806	653702640	/nfs/dbraw/zinc/70/26/40/653702640.db2.gz	YFAJICYNJOLEMD-RNCFNFMXSA-N	-1	1	375.292	2.242	20	30		GEEDMM
C#CC[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)cc2F)C1	ZINC000863416588	653711229	/nfs/dbraw/zinc/71/12/29/653711229.db2.gz	KMIFVNMHSLUAMF-CYBMUJFWSA-N	-1	1	388.486	2.011	20	30		GEEDMM
COc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnc1Br	ZINC000788351410	653754739	/nfs/dbraw/zinc/75/47/39/653754739.db2.gz	YRDHYGKGOCKFAH-JTQLQIEISA-N	-1	1	375.182	2.209	20	30		GEEDMM
C=CCCn1cc(C[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)nn1	ZINC000882474622	653783691	/nfs/dbraw/zinc/78/36/91/653783691.db2.gz	OEGSGRBNTHRFJO-UHFFFAOYSA-N	-1	1	395.794	2.400	20	30		GEEDMM
C=CCCc1ccc(S(=O)(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1	ZINC000882506299	653785692	/nfs/dbraw/zinc/78/56/92/653785692.db2.gz	VFIPLAIYZWGJSL-UHFFFAOYSA-N	-1	1	376.400	2.104	20	30		GEEDMM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](O)C(F)(F)C(F)(F)F	ZINC000882781065	653807058	/nfs/dbraw/zinc/80/70/58/653807058.db2.gz	ZJJJKDZDBRTRCP-SECBINFHSA-N	-1	1	378.706	2.048	20	30		GEEDMM
C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000882846918	653813561	/nfs/dbraw/zinc/81/35/61/653813561.db2.gz	XUIIBVQNLCGJRH-JTQLQIEISA-N	-1	1	377.235	2.065	20	30		GEEDMM
Cc1cc(C)n(N=Cc2ccc(F)cc2Br)c(=O)c1-c1nn[n-]n1	ZINC000822199107	653820291	/nfs/dbraw/zinc/82/02/91/653820291.db2.gz	WVTBWIPHPASYFS-UHFFFAOYSA-N	-1	1	391.204	2.429	20	30		GEEDMM
CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000795624545	653961417	/nfs/dbraw/zinc/96/14/17/653961417.db2.gz	GAWCTHBYMVVGRG-LLVKDONJSA-N	-1	1	394.272	2.281	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)[C@@H]1CCCO1	ZINC000795931270	653978118	/nfs/dbraw/zinc/97/81/18/653978118.db2.gz	LHGKICZLSMTMBL-STQMWFEESA-N	-1	1	392.260	2.239	20	30		GEEDMM
C#CC[C@@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1Cl)C(=O)OC	ZINC000827683638	654003471	/nfs/dbraw/zinc/00/34/71/654003471.db2.gz	LBGQTJVIKHPAGR-GFCCVEGCSA-N	-1	1	394.674	2.087	20	30		GEEDMM
C#CCC[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000798488060	654066012	/nfs/dbraw/zinc/06/60/12/654066012.db2.gz	FTFYUFDMJJOZBW-SECBINFHSA-N	-1	1	384.654	2.294	20	30		GEEDMM
N#CC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(F)(F)F	ZINC000901772395	654148237	/nfs/dbraw/zinc/14/82/37/654148237.db2.gz	NXFJRRQVRSKQHT-SNVBAGLBSA-N	-1	1	382.161	2.444	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@H]1CCCO1	ZINC000831140949	654166952	/nfs/dbraw/zinc/16/69/52/654166952.db2.gz	OTGZNKQYTZSDPY-GXSJLCMTSA-N	-1	1	379.221	2.361	20	30		GEEDMM
N#C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCC1	ZINC000921543234	654279455	/nfs/dbraw/zinc/27/94/55/654279455.db2.gz	PJQCCOYKPVNLKL-ZDUSSCGKSA-N	-1	1	390.292	2.470	20	30		GEEDMM
C#CCC1(NS(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)cc2F)CCC1	ZINC000922046842	654359760	/nfs/dbraw/zinc/35/97/60/654359760.db2.gz	VPWQJSYWUIWISA-UHFFFAOYSA-N	-1	1	388.486	2.202	20	30		GEEDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)o1	ZINC000066394656	531874888	/nfs/dbraw/zinc/87/48/88/531874888.db2.gz	MDXQLVLCJPKTQS-JTQLQIEISA-N	-1	1	388.232	2.489	20	30		GEEDMM
N#Cc1ccc(N2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)nc1	ZINC000179589585	532237059	/nfs/dbraw/zinc/23/70/59/532237059.db2.gz	ZCXKYFWGVYKIRK-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
N#Cc1cc([O-])cc(C(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)c1	ZINC000590454295	532374256	/nfs/dbraw/zinc/37/42/56/532374256.db2.gz	XNOYNLHSVHZBHB-OAHLLOKOSA-N	-1	1	386.205	2.172	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2N2CCOCC2)o1	ZINC000557843452	532375375	/nfs/dbraw/zinc/37/53/75/532375375.db2.gz	HPGPVTBQZSAQGV-UHFFFAOYSA-N	-1	1	381.841	2.120	20	30		GEEDMM
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C(=O)OC)c(F)cc1Br	ZINC000591338996	532408983	/nfs/dbraw/zinc/40/89/83/532408983.db2.gz	OCCHXTGRNZKYRQ-SSDOTTSWSA-N	-1	1	379.207	2.419	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCC2(CO)CCC2)cc1Br	ZINC000593664123	532494226	/nfs/dbraw/zinc/49/42/26/532494226.db2.gz	GDJMCEPYAGDDJO-UHFFFAOYSA-N	-1	1	391.262	2.291	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCC2(O)CCC2)cc1Br	ZINC000296115906	532503097	/nfs/dbraw/zinc/50/30/97/532503097.db2.gz	ROJHWMGXQPMCHC-UHFFFAOYSA-N	-1	1	377.235	2.043	20	30		GEEDMM
C=CCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)c1nc2c(s1)CCCC2	ZINC000533710124	532665377	/nfs/dbraw/zinc/66/53/77/532665377.db2.gz	IOZFAQGIQCIKPI-UHFFFAOYSA-N	-1	1	381.479	2.356	20	30		GEEDMM
N#Cc1ccc(F)c(CS(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)c1	ZINC000599373381	532659552	/nfs/dbraw/zinc/65/95/52/532659552.db2.gz	WHCRYAHCVSZAEB-CYBMUJFWSA-N	-1	1	376.335	2.117	20	30		GEEDMM
C[C@@H](C#N)C[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl	ZINC000535719458	532686545	/nfs/dbraw/zinc/68/65/45/532686545.db2.gz	ZPZQOJPTHVNYEE-YFKPBYRVSA-N	-1	1	394.634	2.387	20	30		GEEDMM
C=CC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC	ZINC000534870993	532674370	/nfs/dbraw/zinc/67/43/70/532674370.db2.gz	TXAQVZWNZPCEDD-GFCCVEGCSA-N	-1	1	376.500	2.090	20	30		GEEDMM
CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000736700596	599152199	/nfs/dbraw/zinc/15/21/99/599152199.db2.gz	VIRUCWMIXVYRRF-HNNXBMFYSA-N	-1	1	389.419	2.348	20	30		GEEDMM
CCc1nn(C)c(Cl)c1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1	ZINC000736706156	599156816	/nfs/dbraw/zinc/15/68/16/599156816.db2.gz	UVYPOLSCNXJKNW-UHFFFAOYSA-N	-1	1	377.840	2.449	20	30		GEEDMM
C=CC[C@@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000735409702	599203391	/nfs/dbraw/zinc/20/33/91/599203391.db2.gz	IXWCZXRDQAORQG-GFCCVEGCSA-N	-1	1	397.439	2.412	20	30		GEEDMM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1	ZINC000819824127	597646970	/nfs/dbraw/zinc/64/69/70/597646970.db2.gz	XTQPVFOTZAZISX-YOEHRIQHSA-N	-1	1	383.370	2.400	20	30		GEEDMM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1	ZINC000819824126	597646977	/nfs/dbraw/zinc/64/69/77/597646977.db2.gz	XTQPVFOTZAZISX-WMLDXEAASA-N	-1	1	383.370	2.400	20	30		GEEDMM
CCN(C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1ccc(C#N)cc1	ZINC000736505590	599309058	/nfs/dbraw/zinc/30/90/58/599309058.db2.gz	OOKIDOUXEIFLMG-UHFFFAOYSA-N	-1	1	391.435	2.442	20	30		GEEDMM
C=CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1cccnc1	ZINC000823936987	607536699	/nfs/dbraw/zinc/53/66/99/607536699.db2.gz	CRGWCAGYSNBYHP-UHFFFAOYSA-N	-1	1	377.437	2.394	20	30		GEEDMM
C=CCn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1cccnc1	ZINC000823936987	607536701	/nfs/dbraw/zinc/53/67/01/607536701.db2.gz	CRGWCAGYSNBYHP-UHFFFAOYSA-N	-1	1	377.437	2.394	20	30		GEEDMM
N#Cc1ccccc1OCC(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1	ZINC000740322928	603056681	/nfs/dbraw/zinc/05/66/81/603056681.db2.gz	GKLSJILREWKPLY-UHFFFAOYSA-N	-1	1	392.375	2.128	20	30		GEEDMM
N#Cc1ccccc1OCC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1	ZINC000740322928	603056685	/nfs/dbraw/zinc/05/66/85/603056685.db2.gz	GKLSJILREWKPLY-UHFFFAOYSA-N	-1	1	392.375	2.128	20	30		GEEDMM
Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc2c(cc1NC(=O)[O-])OCO2	ZINC000830177351	603888559	/nfs/dbraw/zinc/88/85/59/603888559.db2.gz	ZCBOMATZMCSCMD-UHFFFAOYSA-N	-1	1	375.362	2.486	20	30		GEEDMM
N#Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(F)c1	ZINC000826385794	607675187	/nfs/dbraw/zinc/67/51/87/607675187.db2.gz	ASNZEZPHXIGSHH-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c(F)c1	ZINC000826385794	607675192	/nfs/dbraw/zinc/67/51/92/607675192.db2.gz	ASNZEZPHXIGSHH-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(CNC(=O)[O-])o2)cc1OC	ZINC000829440229	604222057	/nfs/dbraw/zinc/22/20/57/604222057.db2.gz	BYRLIRCUJPKFNY-GFCCVEGCSA-N	-1	1	387.348	2.026	20	30		GEEDMM
COc1ccc(S(=O)(=O)Nc2cccc(C#N)c2C)c(OC)c1C(=O)[O-]	ZINC000833734486	604862119	/nfs/dbraw/zinc/86/21/19/604862119.db2.gz	HFTPIRZCSGKBHH-UHFFFAOYSA-N	-1	1	376.390	2.383	20	30		GEEDMM
COc1cc(NS(=O)(=O)c2cccc(C)c2C#N)c(C(=O)[O-])cc1OC	ZINC000547871563	604990746	/nfs/dbraw/zinc/99/07/46/604990746.db2.gz	PVNPSTUFZKCKBT-UHFFFAOYSA-N	-1	1	376.390	2.383	20	30		GEEDMM
N#Cc1cc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)ccc1F	ZINC000833970372	605514218	/nfs/dbraw/zinc/51/42/18/605514218.db2.gz	NBBMFXSYAOMOEW-YJBOKZPZSA-N	-1	1	388.443	2.168	20	30		GEEDMM
C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H](NC(=O)[O-])C3)sc2C1	ZINC000739112706	605929658	/nfs/dbraw/zinc/92/96/58/605929658.db2.gz	GZFZWVYPUPKXJD-RYUDHWBXSA-N	-1	1	376.482	2.415	20	30		GEEDMM
COc1cc(C#N)ccc1OCCCC(=O)Nc1ncc(-c2nnn[n-]2)s1	ZINC000821703093	607024237	/nfs/dbraw/zinc/02/42/37/607024237.db2.gz	OETJDQXRASNXHN-UHFFFAOYSA-N	-1	1	385.409	2.001	20	30		GEEDMM
COc1cc(C#N)ccc1OCCCC(=O)Nc1ncc(-c2nn[n-]n2)s1	ZINC000821703093	607024238	/nfs/dbraw/zinc/02/42/38/607024238.db2.gz	OETJDQXRASNXHN-UHFFFAOYSA-N	-1	1	385.409	2.001	20	30		GEEDMM
N#Cc1ccc(F)cc1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1	ZINC000822829865	607059160	/nfs/dbraw/zinc/05/91/60/607059160.db2.gz	MSBKAFDRMDKRGQ-UHFFFAOYSA-N	-1	1	394.414	2.065	20	30		GEEDMM
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-]	ZINC000824206785	607999084	/nfs/dbraw/zinc/99/90/84/607999084.db2.gz	IUSKCWKTHMASPT-QGZVFWFLSA-N	-1	1	378.392	2.486	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(C)cc(Br)c2O)o1	ZINC000826256262	609374351	/nfs/dbraw/zinc/37/43/51/609374351.db2.gz	AKIWWELGPCQMFI-UHFFFAOYSA-N	-1	1	378.190	2.386	20	30		GEEDMM
COC(=O)COc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1	ZINC000826138168	609448698	/nfs/dbraw/zinc/44/86/98/609448698.db2.gz	IGRDQAUAESNDLK-UHFFFAOYSA-N	-1	1	399.411	2.150	20	30		GEEDMM
C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000823909662	609450224	/nfs/dbraw/zinc/45/02/24/609450224.db2.gz	MRZATVJUMDNIDE-UHFFFAOYSA-N	-1	1	377.401	2.018	20	30		GEEDMM
C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451391737	650110408	/nfs/dbraw/zinc/11/04/08/650110408.db2.gz	HEOXAZMQAPZLIC-SDBXPKJASA-N	-1	1	377.235	2.306	20	30		GEEDMM
COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc(S(C)(=O)=O)c1	ZINC000507601406	650464303	/nfs/dbraw/zinc/46/43/03/650464303.db2.gz	FZUDUAOADNWWDM-UHFFFAOYSA-N	-1	1	380.447	2.080	20	30		GEEDMM
CS(=O)(=O)Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1CC#N	ZINC000475803049	650539479	/nfs/dbraw/zinc/53/94/79/650539479.db2.gz	ANRILALLGORKRQ-UHFFFAOYSA-N	-1	1	382.438	2.237	20	30		GEEDMM
CN1c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2OCC1=O	ZINC000524945365	650648668	/nfs/dbraw/zinc/64/86/68/650648668.db2.gz	DAAWKOIWFXSBTF-UHFFFAOYSA-N	-1	1	377.809	2.368	20	30		GEEDMM
CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl	ZINC000488278962	650743865	/nfs/dbraw/zinc/74/38/65/650743865.db2.gz	NYLLAYDJMTUYFP-UHFFFAOYSA-N	-1	1	399.881	2.311	20	30		GEEDMM
O=S(=O)([N-][C@@H](CO)CC(F)(F)F)c1cccc(OC(F)(F)F)c1F	ZINC000489716890	650762673	/nfs/dbraw/zinc/76/26/73/650762673.db2.gz	NRGDQIAKNLFNHI-ZCFIWIBFSA-N	-1	1	385.257	2.316	20	30		GEEDMM
Cc1cc([O-])c(C(=O)C=Cc2cnc3ccc(Br)cn23)c(=O)o1	ZINC000119109853	643536227	/nfs/dbraw/zinc/53/62/27/643536227.db2.gz	OPNYKCRHTHIBDJ-BWPKMQGJSA-N	-1	1	375.178	2.325	20	30		GEEDMM
C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F	ZINC000272845084	646289680	/nfs/dbraw/zinc/28/96/80/646289680.db2.gz	NTQMXKYOJAORFK-UHFFFAOYSA-N	-1	1	391.820	2.238	20	30		GEEDMM
C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)O1	ZINC000416538374	648165147	/nfs/dbraw/zinc/16/51/47/648165147.db2.gz	WHHMMZYDWVKZRR-WPRPVWTQSA-N	-1	1	377.235	2.306	20	30		GEEDMM
Cc1[nH]nc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1C#N	ZINC000508748408	648257685	/nfs/dbraw/zinc/25/76/85/648257685.db2.gz	NYUFLBLOQZIRKL-UHFFFAOYSA-N	-1	1	379.467	2.078	20	30		GEEDMM
Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(NS(C)(=O)=O)c2)ccc1C#N	ZINC000435752351	648786918	/nfs/dbraw/zinc/78/69/18/648786918.db2.gz	KEHQOCPQQXPVIM-UHFFFAOYSA-N	-1	1	383.426	2.178	20	30		GEEDMM
COc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)CCCC#N	ZINC000548260196	651073758	/nfs/dbraw/zinc/07/37/58/651073758.db2.gz	RNIGMACYSQAGHN-UHFFFAOYSA-N	-1	1	377.216	2.201	20	30		GEEDMM
CN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1	ZINC000603969929	651505672	/nfs/dbraw/zinc/50/56/72/651505672.db2.gz	DAQPWLHLNXEODP-UHFFFAOYSA-N	-1	1	399.881	2.263	20	30		GEEDMM
N#CCCn1ccc(NC(=O)c2c([O-])cnc3c(Br)cccc32)n1	ZINC000563786927	651543303	/nfs/dbraw/zinc/54/33/03/651543303.db2.gz	URXKMYCYZMKMBD-UHFFFAOYSA-N	-1	1	386.209	3.065	20	30		GEEDMM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)c(NS(C)(=O)=O)c1	ZINC000610123166	651646493	/nfs/dbraw/zinc/64/64/93/651646493.db2.gz	MKWFZFDRZPDNNU-UHFFFAOYSA-N	-1	1	383.426	2.178	20	30		GEEDMM
CC#CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F	ZINC000645883545	651665871	/nfs/dbraw/zinc/66/58/71/651665871.db2.gz	BHCGOUOPVMQQED-QMMMGPOBSA-N	-1	1	384.654	2.294	20	30		GEEDMM
CCOC(=O)c1sc(C[N-]S(=O)(=O)c2cccc(C)c2C#N)nc1C	ZINC000611024966	651701689	/nfs/dbraw/zinc/70/16/89/651701689.db2.gz	RONALCONAYTYAG-UHFFFAOYSA-N	-1	1	379.463	2.287	20	30		GEEDMM
CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000583659401	652493260	/nfs/dbraw/zinc/49/32/60/652493260.db2.gz	SZOXZVNBOSAUID-UFBFGSQYSA-N	-1	1	379.251	2.145	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(CO)c2)cc1Br	ZINC000589127657	652560019	/nfs/dbraw/zinc/56/00/19/652560019.db2.gz	HOSUTWRFWJBLEE-UHFFFAOYSA-N	-1	1	399.241	2.431	20	30		GEEDMM
N#CCN1CCC(NC(=O)c2c([O-])cnc3c(Br)cccc32)CC1	ZINC000589400138	652566378	/nfs/dbraw/zinc/56/63/78/652566378.db2.gz	JJRAGPFLWPIWPV-UHFFFAOYSA-N	-1	1	389.253	2.421	20	30		GEEDMM
COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)c1O	ZINC000761012027	652630106	/nfs/dbraw/zinc/63/01/06/652630106.db2.gz	QXTKWQWGMJLDBK-LQPUYASZSA-N	-1	1	381.178	2.392	20	30		GEEDMM
CO[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1)[C@H]1CCOC1	ZINC000594698304	652674543	/nfs/dbraw/zinc/67/45/43/652674543.db2.gz	XPATVHKXKMGVBC-HZMBPMFUSA-N	-1	1	389.271	2.114	20	30		GEEDMM
N#Cc1cc(S(N)(=O)=O)ccc1NCc1cccc(Br)c1[O-]	ZINC000764933370	652815910	/nfs/dbraw/zinc/81/59/10/652815910.db2.gz	CJPAUEBOSSZVRM-UHFFFAOYSA-N	-1	1	382.239	2.286	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)cc1Br	ZINC000599481404	652875352	/nfs/dbraw/zinc/87/53/52/652875352.db2.gz	CSJUJTMIIXWWTR-GWCFXTLKSA-N	-1	1	389.246	2.306	20	30		GEEDMM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)nc1F	ZINC000859145420	653412619	/nfs/dbraw/zinc/41/26/19/653412619.db2.gz	KVLPBXZBWOPNEL-JOYOIKCWSA-N	-1	1	379.251	2.243	20	30		GEEDMM
C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1	ZINC000777970760	653415354	/nfs/dbraw/zinc/41/53/54/653415354.db2.gz	FQFWNYWFZBIWMS-UHFFFAOYSA-N	-1	1	384.244	2.287	20	30		GEEDMM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC	ZINC000859424618	653462267	/nfs/dbraw/zinc/46/22/67/653462267.db2.gz	USQLEQZXVSSWNG-LLVKDONJSA-N	-1	1	394.276	2.487	20	30		GEEDMM
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2nc3c(s2)CCCC3)cc1	ZINC000814822713	653639845	/nfs/dbraw/zinc/63/98/45/653639845.db2.gz	ZWSCJHQXLLLLPJ-UHFFFAOYSA-N	-1	1	380.451	2.384	20	30		GEEDMM
C[C@H]1CN(C(=O)c2cc(I)ccc2[O-])C[C@H](C)N1CC#N	ZINC000880464673	653706414	/nfs/dbraw/zinc/70/64/14/653706414.db2.gz	VPOZQJUIOGOZEM-QWRGUYRKSA-N	-1	1	399.232	2.055	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)[C@H]1CCCO1	ZINC000841514532	653724624	/nfs/dbraw/zinc/72/46/24/653724624.db2.gz	IQDGZGRYZABXMO-UONOGXRCSA-N	-1	1	389.832	2.115	20	30		GEEDMM
COCCn1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1	ZINC000842288159	653751145	/nfs/dbraw/zinc/75/11/45/653751145.db2.gz	FOWMDLAOVDHFJC-GFCCVEGCSA-N	-1	1	382.207	2.192	20	30		GEEDMM
N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)C(F)(F)C(F)(F)F	ZINC000882780937	653807068	/nfs/dbraw/zinc/80/70/68/653807068.db2.gz	VNHAKPMVNJFGGA-VIFPVBQESA-N	-1	1	378.706	2.048	20	30		GEEDMM
COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)cnc1Cl	ZINC000844828455	653821705	/nfs/dbraw/zinc/82/17/05/653821705.db2.gz	HIQORRSNYDPESK-LLVKDONJSA-N	-1	1	382.667	2.095	20	30		GEEDMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1COCc2cccc(Cl)c21	ZINC000794518863	653910238	/nfs/dbraw/zinc/91/02/38/653910238.db2.gz	GXLZFBDSFHFOMU-UHFFFAOYSA-N	-1	1	381.797	2.461	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)CC)c1ccc(Br)cc1	ZINC000867316947	653914934	/nfs/dbraw/zinc/91/49/34/653914934.db2.gz	BAKAFPQSZCKMBR-HXPMCKFVSA-N	-1	1	379.301	2.076	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)N=S(=O)(CC)CC)c1ccc(Br)cc1	ZINC000867317875	653915294	/nfs/dbraw/zinc/91/52/94/653915294.db2.gz	VWCNSFHIQRIGKN-CYBMUJFWSA-N	-1	1	393.328	2.466	20	30		GEEDMM
C=C(Cl)C[C@H]([N-]S(=O)(=O)Cc1ccccc1COC)C(=O)OCC	ZINC000867588423	653957299	/nfs/dbraw/zinc/95/72/99/653957299.db2.gz	CAMWYMLOSKVFFY-HNNXBMFYSA-N	-1	1	375.874	2.327	20	30		GEEDMM
C=CCOCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000849458395	654039937	/nfs/dbraw/zinc/03/99/37/654039937.db2.gz	FAUXJJHWGJMIEI-UHFFFAOYSA-N	-1	1	379.232	2.228	20	30		GEEDMM
Cc1cc([O-])c(C(=O)C=Cc2cc(Br)c3c(c2)OCCO3)c(=O)o1	ZINC000917516987	654127016	/nfs/dbraw/zinc/12/70/16/654127016.db2.gz	GVHNTQFNBOYIPB-XYBNCVKDSA-N	-1	1	393.189	2.449	20	30		GEEDMM
N#Cc1cccnc1NCC[N-]S(=O)(=O)c1sccc1Br	ZINC000917897176	654137489	/nfs/dbraw/zinc/13/74/89/654137489.db2.gz	XKNYIYMYOZRKNE-UHFFFAOYSA-N	-1	1	387.284	2.168	20	30		GEEDMM
COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1	ZINC000919233836	654174042	/nfs/dbraw/zinc/17/40/42/654174042.db2.gz	IPKSNLGNNAJFNQ-LBPRGKRZSA-N	-1	1	378.372	2.389	20	30		GEEDMM
C#C[C@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F)C(C)(C)C	ZINC000831547411	654190813	/nfs/dbraw/zinc/19/08/13/654190813.db2.gz	PKTJPZYKDYGRDC-HNNXBMFYSA-N	-1	1	390.502	2.304	20	30		GEEDMM
CC(C)(C)OC(=O)NCC[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)C(F)F	ZINC000831976168	654221733	/nfs/dbraw/zinc/22/17/33/654221733.db2.gz	LPTOHDZFCNNONM-LLVKDONJSA-N	-1	1	383.461	2.394	20	30		GEEDMM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000832348955	654261251	/nfs/dbraw/zinc/26/12/51/654261251.db2.gz	VPIZPRIHGQMGND-PWSUYJOCSA-N	-1	1	391.243	2.369	20	30		GEEDMM
O=S1(=O)[N-]C(=NN=Cc2cc(Cl)c3c(c2)OCCO3)c2ccccc21	ZINC000914599330	654855551	/nfs/dbraw/zinc/85/55/51/654855551.db2.gz	DFFPUWDLFIWBQE-UHFFFAOYSA-N	-1	1	377.809	2.184	20	30		GEEDMM
CC(C)C[C@H](C#N)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000592757375	532460068	/nfs/dbraw/zinc/46/00/68/532460068.db2.gz	KUEWMXYIVXPUSX-SNVBAGLBSA-N	-1	1	378.281	2.326	20	30		GEEDMM
CC(C)C[C@@H](C#N)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000592757374	532460740	/nfs/dbraw/zinc/46/07/40/532460740.db2.gz	KUEWMXYIVXPUSX-JTQLQIEISA-N	-1	1	378.281	2.326	20	30		GEEDMM
C=C(C)CN(CC)C(=O)CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1	ZINC000195112039	532469902	/nfs/dbraw/zinc/46/99/02/532469902.db2.gz	WZANQTCWPBEEHV-UHFFFAOYSA-N	-1	1	382.873	2.323	20	30		GEEDMM
C=C(C)CN(CC)C(=O)CS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1	ZINC000195112039	532469905	/nfs/dbraw/zinc/46/99/05/532469905.db2.gz	WZANQTCWPBEEHV-UHFFFAOYSA-N	-1	1	382.873	2.323	20	30		GEEDMM
CS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1	ZINC000468994856	532485078	/nfs/dbraw/zinc/48/50/78/532485078.db2.gz	PMCJWQOLMRVEQJ-UHFFFAOYSA-N	-1	1	390.895	2.155	20	30		GEEDMM
CCOC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F	ZINC000594701163	532520340	/nfs/dbraw/zinc/52/03/40/532520340.db2.gz	VIIWQEGNXDWLJU-NSHDSACASA-N	-1	1	384.763	2.374	20	30		GEEDMM
COC(=O)c1sc(S(=O)(=O)[N-][C@@](C)(C#N)CSC)c(C)c1Cl	ZINC000285013619	532638386	/nfs/dbraw/zinc/63/83/86/532638386.db2.gz	GZJFGSAVPLIZBQ-LBPRGKRZSA-N	-1	1	382.916	2.420	20	30		GEEDMM
CSC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000285019335	532639610	/nfs/dbraw/zinc/63/96/10/532639610.db2.gz	HLCHRMFVMIEGJI-NSHDSACASA-N	-1	1	394.272	2.281	20	30		GEEDMM
C=CC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC	ZINC000534870994	532674507	/nfs/dbraw/zinc/67/45/07/532674507.db2.gz	TXAQVZWNZPCEDD-LBPRGKRZSA-N	-1	1	376.500	2.090	20	30		GEEDMM
CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1F	ZINC000509386973	532767480	/nfs/dbraw/zinc/76/74/80/532767480.db2.gz	SSWSEMYNQASNQA-UHFFFAOYSA-N	-1	1	383.426	2.064	20	30		GEEDMM
C[C@H](CC#N)[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl	ZINC000271237056	532805880	/nfs/dbraw/zinc/80/58/80/532805880.db2.gz	WYGQSXVXKHWFTM-RXMQYKEDSA-N	-1	1	394.634	2.117	20	30		GEEDMM
C[C@](O)(C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(F)(F)F	ZINC000287918661	532813045	/nfs/dbraw/zinc/81/30/45/532813045.db2.gz	UIAKFDJDKSDRHU-VIFPVBQESA-N	-1	1	385.257	2.316	20	30		GEEDMM
CCOc1cc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc(Cl)c1[O-]	ZINC000330886668	532828580	/nfs/dbraw/zinc/82/85/80/532828580.db2.gz	SBBMTQINAYJZLB-LLVKDONJSA-N	-1	1	376.862	2.173	20	30		GEEDMM
COc1cc(C#N)ccc1OCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21	ZINC000737033966	598940223	/nfs/dbraw/zinc/94/02/23/598940223.db2.gz	DPLNLJBOFSBJCU-UHFFFAOYSA-N	-1	1	388.387	2.141	20	30		GEEDMM
COc1ccccc1N=C1SCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000737151362	598980332	/nfs/dbraw/zinc/98/03/32/598980332.db2.gz	FHKQMOHOUMQXOL-UHFFFAOYSA-N	-1	1	381.421	2.147	20	30		GEEDMM
COc1ccccc1N=C1SCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737151362	598980334	/nfs/dbraw/zinc/98/03/34/598980334.db2.gz	FHKQMOHOUMQXOL-UHFFFAOYSA-N	-1	1	381.421	2.147	20	30		GEEDMM
Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1cc(C#N)ccc1F	ZINC000822542018	599161956	/nfs/dbraw/zinc/16/19/56/599161956.db2.gz	SNQROBCEWGLLSG-UHFFFAOYSA-N	-1	1	391.366	2.500	20	30		GEEDMM
Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1cc(C#N)ccc1F	ZINC000822542018	599161959	/nfs/dbraw/zinc/16/19/59/599161959.db2.gz	SNQROBCEWGLLSG-UHFFFAOYSA-N	-1	1	391.366	2.500	20	30		GEEDMM
COc1ccc(Cn2c(N)nc(-c3nn[n-]n3)c2C#N)cc1SC(F)(F)F	ZINC000737100469	599163621	/nfs/dbraw/zinc/16/36/21/599163621.db2.gz	YKSDPCKYZQOKFG-UHFFFAOYSA-N	-1	1	396.358	2.186	20	30		GEEDMM
N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-]	ZINC000822842608	607320485	/nfs/dbraw/zinc/32/04/85/607320485.db2.gz	PYAQRHJRRFWEHB-UHFFFAOYSA-N	-1	1	391.391	2.191	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2csc(-c3ccccc3Cl)n2)nc1-c1nn[nH]n1	ZINC000737703693	598472228	/nfs/dbraw/zinc/47/22/28/598472228.db2.gz	APHSCXQOKPJSFW-UHFFFAOYSA-N	-1	1	397.811	2.491	20	30		GEEDMM
CCOc1ccccc1C1N=NC(=S)N1N=Cc1ccc(-c2nnn[n-]2)o1	ZINC000821431372	599334518	/nfs/dbraw/zinc/33/45/18/599334518.db2.gz	RQRZIPQQYCVZSW-UHFFFAOYSA-N	-1	1	382.409	2.288	20	30		GEEDMM
CCOc1ccccc1C1N=NC(=S)N1N=Cc1ccc(-c2nn[n-]n2)o1	ZINC000821431372	599334519	/nfs/dbraw/zinc/33/45/19/599334519.db2.gz	RQRZIPQQYCVZSW-UHFFFAOYSA-N	-1	1	382.409	2.288	20	30		GEEDMM
C=CCOc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1	ZINC000819758647	599370494	/nfs/dbraw/zinc/37/04/94/599370494.db2.gz	CYPAFRJSXWEFRT-UHFFFAOYSA-N	-1	1	376.369	2.338	20	30		GEEDMM
O=C([O-])CCc1nc(CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1	ZINC000739774552	600282964	/nfs/dbraw/zinc/28/29/64/600282964.db2.gz	KJKGSXZQYNUDDM-UHFFFAOYSA-N	-1	1	389.368	2.146	20	30		GEEDMM
N#Cc1ccc(CN2CCCN(Cc3noc(CCCC(=O)[O-])n3)CC2)cc1	ZINC000739116640	600287310	/nfs/dbraw/zinc/28/73/10/600287310.db2.gz	BKRBWKCZFJQVET-UHFFFAOYSA-N	-1	1	383.452	2.056	20	30		GEEDMM
COC[C@@](C)(CC(=O)[O-])NCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000831578669	601133212	/nfs/dbraw/zinc/13/32/12/601133212.db2.gz	PURCWFRJWQYJOX-GOSISDBHSA-N	-1	1	379.482	2.297	20	30		GEEDMM
CC(C)NS(=O)(=O)c1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000826984465	601299286	/nfs/dbraw/zinc/29/92/86/601299286.db2.gz	WGCZFJWDANMADE-SFHVURJKSA-N	-1	1	387.461	2.160	20	30		GEEDMM
C=CCN(C(C)C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1	ZINC000823903566	607593527	/nfs/dbraw/zinc/59/35/27/607593527.db2.gz	CZPJRFSIBKIIPZ-UHFFFAOYSA-N	-1	1	375.376	2.471	20	30		GEEDMM
N#Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1F	ZINC000826385798	607612024	/nfs/dbraw/zinc/61/20/24/607612024.db2.gz	BDCYBEXFOVNNIH-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1F	ZINC000826385798	607612026	/nfs/dbraw/zinc/61/20/26/607612026.db2.gz	BDCYBEXFOVNNIH-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)nc1-c1nn[nH]n1	ZINC000826382753	607634499	/nfs/dbraw/zinc/63/44/99/607634499.db2.gz	SPUZRCZIMAIAMZ-UHFFFAOYSA-N	-1	1	382.693	2.386	20	30		GEEDMM
CN(C[C@@H]1CCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(=O)[O-]	ZINC000828222679	603579698	/nfs/dbraw/zinc/57/96/98/603579698.db2.gz	CXUZYODDEWBQAN-GJZGRUSLSA-N	-1	1	379.420	2.298	20	30		GEEDMM
C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1cccc(C#N)c1	ZINC000824641425	607656701	/nfs/dbraw/zinc/65/67/01/607656701.db2.gz	WKKLHOBOINSBPG-SNVBAGLBSA-N	-1	1	388.840	2.431	20	30		GEEDMM
C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1cccc(C#N)c1	ZINC000824641425	607656702	/nfs/dbraw/zinc/65/67/02/607656702.db2.gz	WKKLHOBOINSBPG-SNVBAGLBSA-N	-1	1	388.840	2.431	20	30		GEEDMM
Cc1cccc(S(=O)(=O)Oc2cc(Cl)ccc2C#N)c1-c1nn[n-]n1	ZINC000826303902	607672518	/nfs/dbraw/zinc/67/25/18/607672518.db2.gz	LRJLGIKMSWIULO-UHFFFAOYSA-N	-1	1	375.797	2.468	20	30		GEEDMM
N#Cc1ccc(F)c(CN2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)c1	ZINC000833972954	605520237	/nfs/dbraw/zinc/52/02/37/605520237.db2.gz	FLSZXNZWISVONH-CRAIPNDOSA-N	-1	1	388.443	2.168	20	30		GEEDMM
O=C([O-])N1CC[C@@]2(C1)CC(=NNC1=N[C@@H]3CCCC[C@H]3N1)c1ccccc1O2	ZINC000834085152	605625842	/nfs/dbraw/zinc/62/58/42/605625842.db2.gz	KTYKIEBQTOCMHR-SXGZJXTBSA-N	-1	1	383.452	2.156	20	30		GEEDMM
N#Cc1cccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)c1F	ZINC000833978549	605952438	/nfs/dbraw/zinc/95/24/38/605952438.db2.gz	ONOABEGKKFQADD-WMLDXEAASA-N	-1	1	388.443	2.168	20	30		GEEDMM
CN=c1scc(-c2ccc(O)c(O)c2)n1N=Cc1ccc(-c2nn[n-]n2)s1	ZINC000821630467	606399356	/nfs/dbraw/zinc/39/93/56/606399356.db2.gz	YYBWZJUBAHMLIZ-UHFFFAOYSA-N	-1	1	399.461	2.282	20	30		GEEDMM
C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccc(C#N)cc1	ZINC000820438520	606885805	/nfs/dbraw/zinc/88/58/05/606885805.db2.gz	RFOAUYLCFJKSNJ-SECBINFHSA-N	-1	1	390.375	2.056	20	30		GEEDMM
COC(=O)[C@H](C)Oc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1	ZINC000821641013	606918194	/nfs/dbraw/zinc/91/81/94/606918194.db2.gz	UEIGGMZMZUZSOT-NSHDSACASA-N	-1	1	399.411	2.364	20	30		GEEDMM
CCCCCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825272203	607851759	/nfs/dbraw/zinc/85/17/59/607851759.db2.gz	YVTKUUKKNATYAG-UHFFFAOYSA-N	-1	1	382.446	2.414	20	30		GEEDMM
[O-]c1c(Br)cc(O)cc1C=NNCc1ccc(-c2nn[nH]n2)cc1	ZINC000826510821	607889780	/nfs/dbraw/zinc/88/97/80/607889780.db2.gz	MIOBRVKQPGPRSY-UHFFFAOYSA-N	-1	1	389.213	2.164	20	30		GEEDMM
C=CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccccc1F	ZINC000823936977	608392967	/nfs/dbraw/zinc/39/29/67/608392967.db2.gz	BYWDGEKOKHKLSF-UHFFFAOYSA-N	-1	1	381.400	2.392	20	30		GEEDMM
C=CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccccc1F	ZINC000823936977	608392969	/nfs/dbraw/zinc/39/29/69/608392969.db2.gz	BYWDGEKOKHKLSF-UHFFFAOYSA-N	-1	1	381.400	2.392	20	30		GEEDMM
C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(CNc2ccc(C#N)nn2)cc1	ZINC000824650992	609593721	/nfs/dbraw/zinc/59/37/21/609593721.db2.gz	WRIJLZQOJASEBS-LBPRGKRZSA-N	-1	1	399.422	2.104	20	30		GEEDMM
C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(CNc2ccc(C#N)nn2)cc1	ZINC000824650992	609593722	/nfs/dbraw/zinc/59/37/22/609593722.db2.gz	WRIJLZQOJASEBS-LBPRGKRZSA-N	-1	1	399.422	2.104	20	30		GEEDMM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C#N)C(C)(C)C)c(F)c1	ZINC000450977400	650077569	/nfs/dbraw/zinc/07/75/69/650077569.db2.gz	IFKCMYMUUDVHNM-CQSZACIVSA-N	-1	1	391.490	2.194	20	30		GEEDMM
CCC[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(=O)OC	ZINC000451371672	650108528	/nfs/dbraw/zinc/10/85/28/650108528.db2.gz	DXVQDKNXFMPVET-NSHDSACASA-N	-1	1	393.234	2.080	20	30		GEEDMM
C[C@]1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCCOC1	ZINC000451378781	650108894	/nfs/dbraw/zinc/10/88/94/650108894.db2.gz	PUTNEFQKBXRTSQ-ZDUSSCGKSA-N	-1	1	377.235	2.307	20	30		GEEDMM
CC(C)[C@H](CO)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451559092	650124937	/nfs/dbraw/zinc/12/49/37/650124937.db2.gz	GVANCGWCDNZNSA-JTQLQIEISA-N	-1	1	379.251	2.003	20	30		GEEDMM
CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451695260	650134039	/nfs/dbraw/zinc/13/40/39/650134039.db2.gz	DHQHQUABTBYYDN-LBPRGKRZSA-N	-1	1	377.235	2.306	20	30		GEEDMM
CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451983597	650161170	/nfs/dbraw/zinc/16/11/70/650161170.db2.gz	VAWQYOJKSGCCEU-LBPRGKRZSA-N	-1	1	377.235	2.163	20	30		GEEDMM
C=CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OCC	ZINC000451985614	650161360	/nfs/dbraw/zinc/16/13/60/650161360.db2.gz	DUSPXMZLEFLIHM-LLVKDONJSA-N	-1	1	376.818	2.424	20	30		GEEDMM
Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1ccccc1CC#N	ZINC000475803163	650539349	/nfs/dbraw/zinc/53/93/49/650539349.db2.gz	ILXROWFQUIWDRE-UHFFFAOYSA-N	-1	1	378.475	2.407	20	30		GEEDMM
COCC[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000116711472	643468096	/nfs/dbraw/zinc/46/80/96/643468096.db2.gz	RKFKVDTWPBEJRL-DEOSSOPVSA-N	-1	1	378.475	2.254	20	30		GEEDMM
N#Cc1cccnc1N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1	ZINC000132935434	643889080	/nfs/dbraw/zinc/88/90/80/643889080.db2.gz	LNJQZBIVSMFJGQ-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
CC[C@@H](C#N)S(=O)(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)cc(C(F)(F)F)c1	ZINC000416937077	648217311	/nfs/dbraw/zinc/21/73/11/648217311.db2.gz	IQELIJYRKCCFSS-JTQLQIEISA-N	-1	1	375.332	2.240	20	30		GEEDMM
N#Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)c1	ZINC000442351355	648842032	/nfs/dbraw/zinc/84/20/32/648842032.db2.gz	ODDFJYVTRNKXLR-UHFFFAOYSA-N	-1	1	380.223	2.220	20	30		GEEDMM
N#Cc1ccncc1N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1	ZINC000553698498	651185736	/nfs/dbraw/zinc/18/57/36/651185736.db2.gz	WRRBUNORSRQION-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
CO[C@H](C[N-]C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F	ZINC000733674073	651716810	/nfs/dbraw/zinc/71/68/10/651716810.db2.gz	LJPMXBHDVKJVEB-GSVOUGTGSA-N	-1	1	380.191	2.014	20	30		GEEDMM
Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1NS(C)(=O)=O	ZINC000619462278	652059503	/nfs/dbraw/zinc/05/95/03/652059503.db2.gz	XXPRKBQHIRPSTL-UHFFFAOYSA-N	-1	1	379.463	2.233	20	30		GEEDMM
N#Cc1ccc(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1	ZINC000584320451	652516410	/nfs/dbraw/zinc/51/64/10/652516410.db2.gz	ULWGJIMQCLEBFB-UHFFFAOYSA-N	-1	1	398.271	2.460	20	30		GEEDMM
Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H](C)S(C)(=O)=O)cc1	ZINC000593591371	652627756	/nfs/dbraw/zinc/62/77/56/652627756.db2.gz	VBSUGNRKIYYQIG-WBMJQRKESA-N	-1	1	398.531	2.381	20	30		GEEDMM
COc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)c1O	ZINC000761012025	652630132	/nfs/dbraw/zinc/63/01/32/652630132.db2.gz	QXTKWQWGMJLDBK-HSBHDXMMSA-N	-1	1	381.178	2.392	20	30		GEEDMM
CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F	ZINC000762556814	652703365	/nfs/dbraw/zinc/70/33/65/652703365.db2.gz	WLZFUGQNNLVTSB-MRVPVSSYSA-N	-1	1	393.234	2.345	20	30		GEEDMM
C[C@H](C#N)CN(C)S(=O)(=O)[N-]CC(F)(F)c1ccc(Br)cc1	ZINC000598625446	652825166	/nfs/dbraw/zinc/82/51/66/652825166.db2.gz	QLNOMSYLCPJMNW-SNVBAGLBSA-N	-1	1	396.257	2.467	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)cc1Br	ZINC000599481405	652875491	/nfs/dbraw/zinc/87/54/91/652875491.db2.gz	CSJUJTMIIXWWTR-GXFFZTMASA-N	-1	1	389.246	2.306	20	30		GEEDMM
Cc1cc(F)cc(C#N)c1S(=O)(=O)[N-][C@@H](c1cnn(C)c1)C(F)(F)F	ZINC000601405091	653092043	/nfs/dbraw/zinc/09/20/43/653092043.db2.gz	QTYYKWOSVIHULJ-ZDUSSCGKSA-N	-1	1	376.335	2.321	20	30		GEEDMM
O=c1nc(NN=Cc2nc3ccc(Br)cc3s2)nc2[nH][n-]cc1-2	ZINC000773055515	653177679	/nfs/dbraw/zinc/17/76/79/653177679.db2.gz	YADHCXPKOMJHLO-UHFFFAOYSA-N	-1	1	390.226	2.250	20	30		GEEDMM
N#Cc1ccc(CNC(=O)COC(=O)c2ccc(Br)c([O-])c2)cc1	ZINC000778826108	653458439	/nfs/dbraw/zinc/45/84/39/653458439.db2.gz	HIKIRGJNCWTCOS-UHFFFAOYSA-N	-1	1	389.205	2.500	20	30		GEEDMM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)cnc1Cl	ZINC000819892603	653760495	/nfs/dbraw/zinc/76/04/95/653760495.db2.gz	HKDYGOKPSMXZLI-WPRPVWTQSA-N	-1	1	381.679	2.367	20	30		GEEDMM
CCS(=O)(CC)=NS(=O)(=O)[N-]CC#Cc1ccc(C(F)(F)F)cc1	ZINC000866912510	653848444	/nfs/dbraw/zinc/84/84/44/653848444.db2.gz	AGXRWHHBUYKAHW-UHFFFAOYSA-N	-1	1	382.429	2.399	20	30		GEEDMM
C=C(Cl)C[C@@H]([N-]S(=O)(=O)CCc1noc2ccccc12)C(=O)OCC	ZINC000867589481	653957601	/nfs/dbraw/zinc/95/76/01/653957601.db2.gz	OCNGJQUBVGMAKB-CQSZACIVSA-N	-1	1	386.857	2.364	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(C)C	ZINC000795978247	653981062	/nfs/dbraw/zinc/98/10/62/653981062.db2.gz	XJKMATMLJAFFTL-SNVBAGLBSA-N	-1	1	379.207	2.433	20	30		GEEDMM
C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccsc1Br)C(=O)OC	ZINC000918793386	654162595	/nfs/dbraw/zinc/16/25/95/654162595.db2.gz	VBWBFSIRNAUVIS-SNVBAGLBSA-N	-1	1	382.301	2.438	20	30		GEEDMM
C#CC(C)(C)N(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F	ZINC000831281332	654176389	/nfs/dbraw/zinc/17/63/89/654176389.db2.gz	UNXUFNUBGBRWKV-UHFFFAOYSA-N	-1	1	376.475	2.010	20	30		GEEDMM
COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(N)=O)cs2)cc1Cl	ZINC000920111082	654203353	/nfs/dbraw/zinc/20/33/53/654203353.db2.gz	JBVPZRUYVSMTMM-JTQLQIEISA-N	-1	1	377.809	2.470	20	30		GEEDMM
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)cc1O	ZINC000921262778	654241727	/nfs/dbraw/zinc/24/17/27/654241727.db2.gz	YZEMUPDJDXUKBA-BWPKMQGJSA-N	-1	1	381.178	2.392	20	30		GEEDMM
C#C[C@H](NC(=O)c1cc(I)ccc1[O-])C1CCOCC1	ZINC000856105949	654461638	/nfs/dbraw/zinc/46/16/38/654461638.db2.gz	IETADKIPEXBBBU-ZDUSSCGKSA-N	-1	1	385.201	2.155	20	30		GEEDMM
C=C(Cl)C[C@@H](NC(=O)NC[C@H](C(CC)CC)N1CCOCC1)C(=O)[O-]	ZINC000908774754	654639578	/nfs/dbraw/zinc/63/95/78/654639578.db2.gz	VOUJFVHCTYMNSO-HUUCEWRRSA-N	-1	1	375.897	2.018	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)cc1Cl	ZINC000178142586	532194759	/nfs/dbraw/zinc/19/47/59/532194759.db2.gz	HKNZHQZRBVFARM-UHFFFAOYSA-N	-1	1	382.850	2.342	20	30		GEEDMM
CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000189114504	532350943	/nfs/dbraw/zinc/35/09/43/532350943.db2.gz	ALQFWGVRDKTAIA-OAHLLOKOSA-N	-1	1	388.221	2.325	20	30		GEEDMM
C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295830494	532480546	/nfs/dbraw/zinc/48/05/46/532480546.db2.gz	CKAVWQAFLVFLSX-QPUJVOFHSA-N	-1	1	377.235	2.163	20	30		GEEDMM
C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295830260	532481026	/nfs/dbraw/zinc/48/10/26/532481026.db2.gz	CQTGHTAEMZGGDO-ZJUUUORDSA-N	-1	1	391.262	2.411	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CC2CCOCC2)cc1Br	ZINC000295828268	532481308	/nfs/dbraw/zinc/48/13/08/532481308.db2.gz	YIJYIKPMJKVIOC-UHFFFAOYSA-N	-1	1	377.235	2.165	20	30		GEEDMM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl	ZINC000471117109	532541595	/nfs/dbraw/zinc/54/15/95/532541595.db2.gz	SDFGMENMEZOZPG-UHFFFAOYSA-N	-1	1	380.769	2.020	20	30		GEEDMM
C=CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)[N-]CC(F)(F)F	ZINC000375995536	532590498	/nfs/dbraw/zinc/59/04/98/532590498.db2.gz	RTMGMUTZDCBGQM-HNNXBMFYSA-N	-1	1	377.432	2.146	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)o1	ZINC000376327586	532608280	/nfs/dbraw/zinc/60/82/80/532608280.db2.gz	KOMAGKAYUCGLHG-LLVKDONJSA-N	-1	1	379.825	2.136	20	30		GEEDMM
C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)[C@H](O)C(F)(F)F	ZINC000632673235	532637730	/nfs/dbraw/zinc/63/77/30/532637730.db2.gz	IVCMTUAXNPPKHT-ANLVUFKYSA-N	-1	1	385.257	2.314	20	30		GEEDMM
COC(=O)[C@H]([N-]S(=O)(=O)N(C)C[C@H](C)C#N)c1ccc(Cl)cc1Cl	ZINC000409510532	532722567	/nfs/dbraw/zinc/72/25/67/532722567.db2.gz	BDUSJZCQCFMNKF-NOZJJQNGSA-N	-1	1	394.280	2.133	20	30		GEEDMM
N#CCc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)cc1	ZINC000442317571	532729782	/nfs/dbraw/zinc/72/97/82/532729782.db2.gz	ADQHEMROVMXOOS-UHFFFAOYSA-N	-1	1	394.250	2.415	20	30		GEEDMM
CCc1nnc(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)s1	ZINC000289442942	532855135	/nfs/dbraw/zinc/85/51/35/532855135.db2.gz	FGISUOWFUVAAOL-UHFFFAOYSA-N	-1	1	387.284	2.213	20	30		GEEDMM
COc1ccc(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)c(OC(F)F)c1	ZINC000737082887	598924899	/nfs/dbraw/zinc/92/48/99/598924899.db2.gz	LRWYGCAQFQLVFZ-UHFFFAOYSA-N	-1	1	390.350	2.137	20	30		GEEDMM
C=CC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1ccncc1	ZINC000735409379	598968925	/nfs/dbraw/zinc/96/89/25/598968925.db2.gz	DOOZRLHAJRRNRY-INIZCTEOSA-N	-1	1	393.451	2.345	20	30		GEEDMM
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1	ZINC000737711382	598992680	/nfs/dbraw/zinc/99/26/80/598992680.db2.gz	IYCXFNIASHCMFD-UHFFFAOYSA-N	-1	1	387.325	2.338	20	30		GEEDMM
N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1	ZINC000737711382	598992681	/nfs/dbraw/zinc/99/26/81/598992681.db2.gz	IYCXFNIASHCMFD-UHFFFAOYSA-N	-1	1	387.325	2.338	20	30		GEEDMM
Cc1nc(C)c(-c2nn[n-]n2)c(SCc2nnc(-c3cccc(C#N)c3)o2)n1	ZINC000737470411	599162287	/nfs/dbraw/zinc/16/22/87/599162287.db2.gz	IMXSFRUYRDHPLK-UHFFFAOYSA-N	-1	1	391.420	2.488	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1	ZINC000737199683	599202463	/nfs/dbraw/zinc/20/24/63/599202463.db2.gz	IUTKRWHAYYBTKW-WYRIXSBYSA-N	-1	1	383.456	2.105	20	30		GEEDMM
C#CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)c1	ZINC000735380921	598495566	/nfs/dbraw/zinc/49/55/66/598495566.db2.gz	OFCGDZZPFWEBAF-UHFFFAOYSA-N	-1	1	389.824	2.333	20	30		GEEDMM
N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)ccc1Cl	ZINC000737709629	598593582	/nfs/dbraw/zinc/59/35/82/598593582.db2.gz	MPDVPWOCZCLECM-UHFFFAOYSA-N	-1	1	378.776	2.332	20	30		GEEDMM
N#Cc1cc(F)ccc1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1	ZINC000737705040	598680454	/nfs/dbraw/zinc/68/04/54/598680454.db2.gz	MFOHLSHNCMFDEQ-UHFFFAOYSA-N	-1	1	394.414	2.065	20	30		GEEDMM
C[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccccc1C(F)(F)F	ZINC000819876063	599312674	/nfs/dbraw/zinc/31/26/74/599312674.db2.gz	FDRIHSOCSMTYGE-ZETCQYMHSA-N	-1	1	376.302	2.222	20	30		GEEDMM
CC(C)c1nc(-c2nn[nH]n2)c([N-]N=C2CCN(Cc3ccccc3)C2=O)o1	ZINC000820198472	599336831	/nfs/dbraw/zinc/33/68/31/599336831.db2.gz	XEVNMGYYNRQPJP-UHFFFAOYSA-N	-1	1	380.412	2.179	20	30		GEEDMM
COC(=O)c1cc(S(=O)(=O)Nc2cc(C#N)ccc2C)c(C(=O)[O-])s1	ZINC000737681641	599815980	/nfs/dbraw/zinc/81/59/80/599815980.db2.gz	TYGRREJEXZWLAE-UHFFFAOYSA-N	-1	1	380.403	2.214	20	30		GEEDMM
C=CCNC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1	ZINC000736105731	600097237	/nfs/dbraw/zinc/09/72/37/600097237.db2.gz	GWHXIGUKQBKJSL-UHFFFAOYSA-N	-1	1	378.381	2.241	20	30		GEEDMM
C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@@H](C(=O)[O-])C2)c1=S	ZINC000736118104	600420867	/nfs/dbraw/zinc/42/08/67/600420867.db2.gz	QCDYBGFLPPCMPG-MRXNPFEDSA-N	-1	1	393.557	2.383	20	30		GEEDMM
C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000827369412	601131808	/nfs/dbraw/zinc/13/18/08/601131808.db2.gz	XJWRBYLXVZBSJH-LLVKDONJSA-N	-1	1	382.367	2.172	20	30		GEEDMM
CCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000468757161	602307640	/nfs/dbraw/zinc/30/76/40/602307640.db2.gz	AJVXWJUJSKDFMY-UHFFFAOYSA-N	-1	1	375.406	2.498	20	30		GEEDMM
CC(C)N(CCC#N)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1	ZINC000824288233	607607753	/nfs/dbraw/zinc/60/77/53/607607753.db2.gz	ASLGNNVHYDONDZ-UHFFFAOYSA-N	-1	1	388.375	2.198	20	30		GEEDMM
N#Cc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(F)c1	ZINC000826385138	607610627	/nfs/dbraw/zinc/61/06/27/607610627.db2.gz	YXFQPIPNRTXKDA-UHFFFAOYSA-N	-1	1	392.803	2.009	20	30		GEEDMM
N#Cc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c(F)c1	ZINC000826385138	607610628	/nfs/dbraw/zinc/61/06/28/607610628.db2.gz	YXFQPIPNRTXKDA-UHFFFAOYSA-N	-1	1	392.803	2.009	20	30		GEEDMM
N#CC(C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])c1nnc2n1CCCCC2	ZINC000831063991	604227579	/nfs/dbraw/zinc/22/75/79/604227579.db2.gz	ALFZZXWHLGMWDA-JKSUJKDBSA-N	-1	1	381.436	2.450	20	30		GEEDMM
Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CCCOc1ccc(C#N)cc1	ZINC000826294827	607715363	/nfs/dbraw/zinc/71/53/63/607715363.db2.gz	FJSUAOSUQGDQRD-UHFFFAOYSA-N	-1	1	387.403	2.226	20	30		GEEDMM
C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000779849578	605598114	/nfs/dbraw/zinc/59/81/14/605598114.db2.gz	WOQPBHJKBYKNHP-GFCCVEGCSA-N	-1	1	376.390	2.242	20	30		GEEDMM
N#CCCN(C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1	ZINC000822806573	606135021	/nfs/dbraw/zinc/13/50/21/606135021.db2.gz	PUWRHLHJAOWAJB-UHFFFAOYSA-N	-1	1	382.405	2.032	20	30		GEEDMM
N#CCCN(C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1	ZINC000822806573	606135022	/nfs/dbraw/zinc/13/50/22/606135022.db2.gz	PUWRHLHJAOWAJB-UHFFFAOYSA-N	-1	1	382.405	2.032	20	30		GEEDMM
COc1ccccc1C1N=NC(=S)N1N=Cc1ccc(-c2nn[n-]n2)s1	ZINC000821877660	606369043	/nfs/dbraw/zinc/36/90/43/606369043.db2.gz	PAIWOQHQRWISNP-UHFFFAOYSA-N	-1	1	384.450	2.366	20	30		GEEDMM
COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)ccc1S(C)(=O)=O	ZINC000821702952	606390626	/nfs/dbraw/zinc/39/06/26/606390626.db2.gz	IPFDPAQOYQASFG-GQCTYLIASA-N	-1	1	390.446	2.236	20	30		GEEDMM
Cc1cc(C)n(N=Cc2cnc(-c3ccncc3)s2)c(=O)c1-c1nn[n-]n1	ZINC000822198897	606600839	/nfs/dbraw/zinc/60/08/39/606600839.db2.gz	NIZFZCRDKJDPGV-UHFFFAOYSA-N	-1	1	378.421	2.046	20	30		GEEDMM
C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000819745449	606840228	/nfs/dbraw/zinc/84/02/28/606840228.db2.gz	DJKFVPOVESSGLR-UHFFFAOYSA-N	-1	1	379.442	2.444	20	30		GEEDMM
C=CCn1c(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)nnc1-c1cnccn1	ZINC000819766318	607036099	/nfs/dbraw/zinc/03/60/99/607036099.db2.gz	WLCHYPBUKZGXIH-UHFFFAOYSA-N	-1	1	398.843	2.301	20	30		GEEDMM
C=CCn1c(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)nnc1-c1cnccn1	ZINC000819766318	607036101	/nfs/dbraw/zinc/03/61/01/607036101.db2.gz	WLCHYPBUKZGXIH-UHFFFAOYSA-N	-1	1	398.843	2.301	20	30		GEEDMM
N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)CC2	ZINC000826386091	607933652	/nfs/dbraw/zinc/93/36/52/607933652.db2.gz	OMTPHUZCMJBZSU-UHFFFAOYSA-N	-1	1	386.824	2.143	20	30		GEEDMM
C#C[C@H](Cc1ccccc1)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C	ZINC000823838871	608012064	/nfs/dbraw/zinc/01/20/64/608012064.db2.gz	WBDDDLWUPYXEIN-MRXNPFEDSA-N	-1	1	391.431	2.304	20	30		GEEDMM
COc1ccc(CNC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)s2)cc1	ZINC000826202239	608092468	/nfs/dbraw/zinc/09/24/68/608092468.db2.gz	SEKFJGJENGRTMJ-UHFFFAOYSA-N	-1	1	387.494	2.325	20	30		GEEDMM
C=CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nc2sc(C)c(C)c2c1=O	ZINC000823937263	608390601	/nfs/dbraw/zinc/39/06/01/608390601.db2.gz	OTJHBIDHJCSCMX-UHFFFAOYSA-N	-1	1	398.477	2.382	20	30		GEEDMM
C=CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nc2sc(C)c(C)c2c1=O	ZINC000823937263	608390603	/nfs/dbraw/zinc/39/06/03/608390603.db2.gz	OTJHBIDHJCSCMX-UHFFFAOYSA-N	-1	1	398.477	2.382	20	30		GEEDMM
N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n1	ZINC000826383144	609287724	/nfs/dbraw/zinc/28/77/24/609287724.db2.gz	MPTYKONADFKOOP-UHFFFAOYSA-N	-1	1	380.368	2.377	20	30		GEEDMM
N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n1	ZINC000826383144	609287725	/nfs/dbraw/zinc/28/77/25/609287725.db2.gz	MPTYKONADFKOOP-UHFFFAOYSA-N	-1	1	380.368	2.377	20	30		GEEDMM
Cc1cc(C)n(N=Cc2cccc(C(=O)OC(C)(C)C)c2)c(=O)c1-c1nn[n-]n1	ZINC000826265462	609304509	/nfs/dbraw/zinc/30/45/09/609304509.db2.gz	ACNNLMBJLRTLSS-UHFFFAOYSA-N	-1	1	394.435	2.483	20	30		GEEDMM
C=C(C)CN(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000823874129	609347550	/nfs/dbraw/zinc/34/75/50/609347550.db2.gz	TVYRMCJFIOTLDP-UHFFFAOYSA-N	-1	1	397.439	2.366	20	30		GEEDMM
C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000823909807	609449976	/nfs/dbraw/zinc/44/99/76/609449976.db2.gz	RFTYWTHLBPOMLD-UHFFFAOYSA-N	-1	1	377.401	2.018	20	30		GEEDMM
CC(C)OC(=O)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451005616	650079360	/nfs/dbraw/zinc/07/93/60/650079360.db2.gz	PZTJMXDRKDDAMH-UHFFFAOYSA-N	-1	1	393.234	2.080	20	30		GEEDMM
C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451531863	650123734	/nfs/dbraw/zinc/12/37/34/650123734.db2.gz	SHYLIGWMPORFOL-HQJQHLMTSA-N	-1	1	379.276	2.490	20	30		GEEDMM
CCC1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)COC1	ZINC000451952726	650157319	/nfs/dbraw/zinc/15/73/19/650157319.db2.gz	PZKWGUBYDAVABP-UHFFFAOYSA-N	-1	1	377.235	2.165	20	30		GEEDMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CC#N)cc2)cc1	ZINC000476192741	650545777	/nfs/dbraw/zinc/54/57/77/650545777.db2.gz	JFQWXLPVSFNOAJ-UHFFFAOYSA-N	-1	1	380.447	2.183	20	30		GEEDMM
CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C	ZINC000481587495	650649924	/nfs/dbraw/zinc/64/99/24/650649924.db2.gz	PNTSVILLFOYJKL-UHFFFAOYSA-N	-1	1	399.881	2.229	20	30		GEEDMM
CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1C	ZINC000481618241	650650811	/nfs/dbraw/zinc/65/08/11/650650811.db2.gz	DBDDKBDLILTOSC-UHFFFAOYSA-N	-1	1	399.881	2.229	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(Br)c(F)c2)o1	ZINC000490507408	650774358	/nfs/dbraw/zinc/77/43/58/650774358.db2.gz	KFOAGVVEMCBQBN-LBPRGKRZSA-N	-1	1	389.202	2.065	20	30		GEEDMM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2F)c(F)c1	ZINC000493252380	650793401	/nfs/dbraw/zinc/79/34/01/650793401.db2.gz	HCMWUHZQOCNGRG-UHFFFAOYSA-N	-1	1	387.389	2.009	20	30		GEEDMM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)c1	ZINC000117739336	643496766	/nfs/dbraw/zinc/49/67/66/643496766.db2.gz	FKQPWQZVFDBQIE-XMMPIXPASA-N	-1	1	378.475	2.141	20	30		GEEDMM
O=C(NC[C@@]1(O)CCSC1)c1ccc(I)c([O-])c1	ZINC000330841264	647355633	/nfs/dbraw/zinc/35/56/33/647355633.db2.gz	AMXLNBBQKSXEFQ-LBPRGKRZSA-N	-1	1	379.219	2.169	20	30		GEEDMM
C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCCO1	ZINC000331300187	647378612	/nfs/dbraw/zinc/37/86/12/647378612.db2.gz	DUDOOYOOOKQHTG-ZDUSSCGKSA-N	-1	1	377.235	2.307	20	30		GEEDMM
CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000331352693	647380939	/nfs/dbraw/zinc/38/09/39/647380939.db2.gz	ZPFCQPAXPRCAQR-CYBMUJFWSA-N	-1	1	379.251	2.145	20	30		GEEDMM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1	ZINC000408462173	647955189	/nfs/dbraw/zinc/95/51/89/647955189.db2.gz	YBRSZUQICLRGQM-WPRPVWTQSA-N	-1	1	377.235	2.306	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2F)CCNC3=O)c(Cl)c1	ZINC000551477525	651125327	/nfs/dbraw/zinc/12/53/27/651125327.db2.gz	PBFWXXVAKYTHBC-UHFFFAOYSA-N	-1	1	379.800	2.437	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Br)c3)C2)o1	ZINC000557846416	651274823	/nfs/dbraw/zinc/27/48/23/651274823.db2.gz	YFUHTGNYRHAWPH-LBPRGKRZSA-N	-1	1	396.266	2.471	20	30		GEEDMM
C#CCN1c2ccc(Br)cc2C(=NNc2nc(C)cc(=O)[n-]2)C1=O	ZINC000747041786	652134531	/nfs/dbraw/zinc/13/45/31/652134531.db2.gz	BTIVIIFXDINMQQ-UHFFFAOYSA-N	-1	1	386.209	2.049	20	30		GEEDMM
[O-]c1c(Br)cc(O)cc1C=NNc1ccc(-n2cccn2)nn1	ZINC000755656609	652471568	/nfs/dbraw/zinc/47/15/68/652471568.db2.gz	JSANYGHQYUJBEM-UHFFFAOYSA-N	-1	1	375.186	2.282	20	30		GEEDMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cnc([C@@H]2CCCO2)s1	ZINC000755762123	652475671	/nfs/dbraw/zinc/47/56/71/652475671.db2.gz	MLNKTGJTDJAPAR-LBPRGKRZSA-N	-1	1	382.423	2.215	20	30		GEEDMM
O=C1NC2(CCCCC2)C(=O)N1N=Cc1cc(O)c([O-])c(Br)c1	ZINC000757564419	652518148	/nfs/dbraw/zinc/51/81/48/652518148.db2.gz	SVJYJFNGLUHVFF-UHFFFAOYSA-N	-1	1	382.214	2.449	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-]C[C@@](O)(c2ccccc2)C(F)(F)F)CCCC1	ZINC000759047617	652561455	/nfs/dbraw/zinc/56/14/55/652561455.db2.gz	HHKIKSAORJNCLG-OAHLLOKOSA-N	-1	1	376.400	2.440	20	30		GEEDMM
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=Nn1c(=O)cn[n-]c1=S	ZINC000766483181	652881879	/nfs/dbraw/zinc/88/18/79/652881879.db2.gz	UQQPLEPLUJOIRA-UHFFFAOYSA-N	-1	1	378.820	2.155	20	30		GEEDMM
C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br	ZINC000770377152	653211359	/nfs/dbraw/zinc/21/13/59/653211359.db2.gz	UFJZGOXADWFTCJ-VIFPVBQESA-N	-1	1	378.219	2.065	20	30		GEEDMM
C[S@@](=O)(=NS(=O)(=O)[N-][C@H]1Cc2ccc(C#N)cc2C1)C1CCCCC1	ZINC000882504498	653785462	/nfs/dbraw/zinc/78/54/62/653785462.db2.gz	YMPIEOSSHZJLTR-FYSMJZIKSA-N	-1	1	381.523	2.290	20	30		GEEDMM
CS(C)(=O)=NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000821103684	653790698	/nfs/dbraw/zinc/79/06/98/653790698.db2.gz	XLMFVMFHAJQCRR-UHFFFAOYSA-N	-1	1	377.447	2.227	20	30		GEEDMM
C[C@@H](CC#N)[N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1	ZINC000866673844	653809502	/nfs/dbraw/zinc/80/95/02/653809502.db2.gz	JQRHADSRPUBJBI-UGZDLDLSSA-N	-1	1	380.289	2.042	20	30		GEEDMM
CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)cnc1Cl	ZINC000844827632	653821555	/nfs/dbraw/zinc/82/15/55/653821555.db2.gz	AEWHSJMMMQOASV-JTQLQIEISA-N	-1	1	384.708	2.421	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(Br)cc2[N+](=O)[O-])o1	ZINC000822423356	653827240	/nfs/dbraw/zinc/82/72/40/653827240.db2.gz	KHQFFFAMVQNICT-UHFFFAOYSA-N	-1	1	393.161	2.280	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)CC)c1ccc(Br)cc1	ZINC000867316944	653915006	/nfs/dbraw/zinc/91/50/06/653915006.db2.gz	BAKAFPQSZCKMBR-BLVKFPJESA-N	-1	1	379.301	2.076	20	30		GEEDMM
C#CCC1([N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)CCOCC1	ZINC000885840994	653959334	/nfs/dbraw/zinc/95/93/34/653959334.db2.gz	VDQMRQBUNJKIHA-UHFFFAOYSA-N	-1	1	389.832	2.117	20	30		GEEDMM
CC(C)(CC#N)CS(=O)(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1	ZINC000867704502	653974963	/nfs/dbraw/zinc/97/49/63/653974963.db2.gz	NESFLQJVCAWXNF-UHFFFAOYSA-N	-1	1	385.917	2.433	20	30		GEEDMM
C#C[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)cc2F)C1	ZINC000848472844	653979948	/nfs/dbraw/zinc/97/99/48/653979948.db2.gz	HTJAVECSBYMXJR-CYBMUJFWSA-N	-1	1	388.486	2.011	20	30		GEEDMM
C#CCC1(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1	ZINC000886784560	654000317	/nfs/dbraw/zinc/00/03/17/654000317.db2.gz	NAHCRKDYROMLIU-UHFFFAOYSA-N	-1	1	375.277	2.334	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@](O)(c2ccccc2)C(F)(F)F)s1	ZINC000797826556	654043409	/nfs/dbraw/zinc/04/34/09/654043409.db2.gz	DTFPZFQLXXWDJR-CYBMUJFWSA-N	-1	1	376.381	2.348	20	30		GEEDMM
N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)c1	ZINC000153987310	531616832	/nfs/dbraw/zinc/61/68/32/531616832.db2.gz	XAWGKBLWULNFNF-UHFFFAOYSA-N	-1	1	397.250	2.493	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)COc2cccc(Cl)c2Cl)o1	ZINC000557820375	532374097	/nfs/dbraw/zinc/37/40/97/532374097.db2.gz	LHJLANPPDREHGT-SECBINFHSA-N	-1	1	391.232	2.176	20	30		GEEDMM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C#N)CC(C)C)c(F)c1	ZINC000590739710	532383294	/nfs/dbraw/zinc/38/32/94/532383294.db2.gz	BLVZLLYZJPSLAJ-ZDUSSCGKSA-N	-1	1	391.490	2.194	20	30		GEEDMM
N#Cc1cc(Br)cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)c1	ZINC000192131404	532387692	/nfs/dbraw/zinc/38/76/92/532387692.db2.gz	VHRSZCXZHSZXKB-UHFFFAOYSA-N	-1	1	375.141	2.499	20	30		GEEDMM
C=CCN(CCC#N)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000295342791	532435596	/nfs/dbraw/zinc/43/55/96/532435596.db2.gz	NPILEMTWJFWHPA-UHFFFAOYSA-N	-1	1	376.265	2.200	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@H](O)C23CCC3)cc1Br	ZINC000594866167	532538440	/nfs/dbraw/zinc/53/84/40/532538440.db2.gz	ZNKWBDSKKOELKL-STQMWFEESA-N	-1	1	389.246	2.042	20	30		GEEDMM
C=CCC[C@@H]([N-]S(=O)(=O)c1ncccc1Br)C(=O)OCC	ZINC000594780632	532527477	/nfs/dbraw/zinc/52/74/77/532527477.db2.gz	SUQSHMNICMTOCE-LLVKDONJSA-N	-1	1	377.260	2.020	20	30		GEEDMM
CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CO1	ZINC000594788420	532528553	/nfs/dbraw/zinc/52/85/53/532528553.db2.gz	BWXIFOMLBOXQAF-VIFPVBQESA-N	-1	1	377.235	2.306	20	30		GEEDMM
N#CC[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1	ZINC000597918576	532632755	/nfs/dbraw/zinc/63/27/55/532632755.db2.gz	QMTCUISRXYESPE-LLVKDONJSA-N	-1	1	390.292	2.424	20	30		GEEDMM
C[C@]1(C#N)CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1	ZINC000598405245	532647566	/nfs/dbraw/zinc/64/75/66/532647566.db2.gz	IKAUZVPEUDGVGR-CQSZACIVSA-N	-1	1	376.265	2.034	20	30		GEEDMM
C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F	ZINC000599298634	532658208	/nfs/dbraw/zinc/65/82/08/532658208.db2.gz	ZFVIAAWEOIWGFO-ZUZCIYMTSA-N	-1	1	375.393	2.011	20	30		GEEDMM
CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000581910014	532759002	/nfs/dbraw/zinc/75/90/02/532759002.db2.gz	FBOPDBLVYVUPPW-SNVBAGLBSA-N	-1	1	379.251	2.145	20	30		GEEDMM
C=CCSCC[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br	ZINC000268410466	532763755	/nfs/dbraw/zinc/76/37/55/532763755.db2.gz	STLDLEUKGNGRQW-UHFFFAOYSA-N	-1	1	384.273	2.026	20	30		GEEDMM
COc1ccc(Cl)cc1N1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000286754771	532767327	/nfs/dbraw/zinc/76/73/27/532767327.db2.gz	DJMNODLRRXRYFF-LBPRGKRZSA-N	-1	1	381.841	2.370	20	30		GEEDMM
CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)cc1	ZINC000287832896	532811027	/nfs/dbraw/zinc/81/10/27/532811027.db2.gz	NRFUQPFBQFEILS-CJNGLKHVSA-N	-1	1	379.825	2.055	20	30		GEEDMM
CCOc1cc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc(Cl)c1[O-]	ZINC000330886669	532828954	/nfs/dbraw/zinc/82/89/54/532828954.db2.gz	SBBMTQINAYJZLB-NSHDSACASA-N	-1	1	376.862	2.173	20	30		GEEDMM
CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1	ZINC000331320323	532837894	/nfs/dbraw/zinc/83/78/94/532837894.db2.gz	KOVQZPRXFAONFX-VHSXEESVSA-N	-1	1	377.235	2.306	20	30		GEEDMM
CC(C)(C)OC(=O)N1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C1	ZINC000735623673	598276629	/nfs/dbraw/zinc/27/66/29/598276629.db2.gz	KTRUPCQJTBJOBI-UHFFFAOYSA-N	-1	1	376.421	2.171	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)nc1-c1nn[nH]n1	ZINC000737703653	598699609	/nfs/dbraw/zinc/69/96/09/598699609.db2.gz	AAMLLRWQYFMPRU-VIFPVBQESA-N	-1	1	376.302	2.136	20	30		GEEDMM
C[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccc(Br)s1	ZINC000819877071	599312635	/nfs/dbraw/zinc/31/26/35/599312635.db2.gz	NXQPYARKGWGJQT-YFKPBYRVSA-N	-1	1	393.230	2.028	20	30		GEEDMM
CCCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000736487945	599315894	/nfs/dbraw/zinc/31/58/94/599315894.db2.gz	KXGXDYSOWVGFTO-UHFFFAOYSA-N	-1	1	383.437	2.361	20	30		GEEDMM
C=CCCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1	ZINC000735412677	599593444	/nfs/dbraw/zinc/59/34/44/599593444.db2.gz	IJOJSLDMCJCHJP-UHFFFAOYSA-N	-1	1	375.376	2.472	20	30		GEEDMM
CC(C)c1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)nn1-c1ccccc1	ZINC000820187567	607421672	/nfs/dbraw/zinc/42/16/72/607421672.db2.gz	HOVYOCWUTPUVMK-UHFFFAOYSA-N	-1	1	388.395	2.023	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c([N+](=O)[O-])c1	ZINC000739130366	600784576	/nfs/dbraw/zinc/78/45/76/600784576.db2.gz	SJHSVTYAKWTOAR-UHFFFAOYSA-N	-1	1	383.288	2.244	20	30		GEEDMM
O=C([O-])c1ccc(C=NNc2ccc(S(=O)(=O)Nc3nccs3)cc2)[nH]1	ZINC000749814119	601396053	/nfs/dbraw/zinc/39/60/53/601396053.db2.gz	KOQSUVSKLXRBHI-UHFFFAOYSA-N	-1	1	391.434	2.416	20	30		GEEDMM
N#Cc1nc(-c2ccco2)oc1N1CCN(C[C@@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000740323835	602451434	/nfs/dbraw/zinc/45/14/34/602451434.db2.gz	KNSARLVCBNTVLG-AWEZNQCLSA-N	-1	1	385.424	2.318	20	30		GEEDMM
N#Cc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(Cl)c1	ZINC000826386002	607580645	/nfs/dbraw/zinc/58/06/45/607580645.db2.gz	LAOOSPNWCGEHCP-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#Cc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(Cl)c1	ZINC000826386002	607580647	/nfs/dbraw/zinc/58/06/47/607580647.db2.gz	LAOOSPNWCGEHCP-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1	ZINC000825399049	607597320	/nfs/dbraw/zinc/59/73/20/607597320.db2.gz	HGPHGUCQPPNOIH-VIFPVBQESA-N	-1	1	388.375	2.056	20	30		GEEDMM
N#Cc1cccc(CC(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c1	ZINC000831146827	603607001	/nfs/dbraw/zinc/60/70/01/603607001.db2.gz	ZVTBHCSBNHXXPL-UHFFFAOYSA-N	-1	1	376.376	2.292	20	30		GEEDMM
N#Cc1cccc(CC(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c1	ZINC000831146827	603607003	/nfs/dbraw/zinc/60/70/03/603607003.db2.gz	ZVTBHCSBNHXXPL-UHFFFAOYSA-N	-1	1	376.376	2.292	20	30		GEEDMM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000831075800	603987488	/nfs/dbraw/zinc/98/74/88/603987488.db2.gz	DBGHVNYLFQFOMQ-PMPSAXMXSA-N	-1	1	391.431	2.440	20	30		GEEDMM
COC(=O)c1sc(S(=O)(=O)Nc2ccc(C#N)cc2F)c(C(=O)[O-])c1C	ZINC000831478998	604806679	/nfs/dbraw/zinc/80/66/79/604806679.db2.gz	HTQSACYTPPEWJM-UHFFFAOYSA-N	-1	1	398.393	2.353	20	30		GEEDMM
CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000833572812	604861219	/nfs/dbraw/zinc/86/12/19/604861219.db2.gz	CZNLSVHWOUYDLC-IIBYNOLFSA-N	-1	1	398.463	2.106	20	30		GEEDMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	ZINC000833623778	605158543	/nfs/dbraw/zinc/15/85/43/605158543.db2.gz	GGWNAGKFOQVGOL-HNNXBMFYSA-N	-1	1	394.431	2.367	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C#N)C1CCCCC1	ZINC000822005956	606362844	/nfs/dbraw/zinc/36/28/44/606362844.db2.gz	VZVRYJGOTKSCRO-HNNXBMFYSA-N	-1	1	383.456	2.105	20	30		GEEDMM
C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1-c1nn[n-]n1	ZINC000819758621	606373283	/nfs/dbraw/zinc/37/32/83/606373283.db2.gz	BXSZHTXQXJNNBT-UHFFFAOYSA-N	-1	1	387.377	2.271	20	30		GEEDMM
CS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1	ZINC000821936543	606390680	/nfs/dbraw/zinc/39/06/80/606390680.db2.gz	BOXDSIHHZRYNPQ-SOFGYWHQSA-N	-1	1	375.435	2.196	20	30		GEEDMM
COc1cc(C#N)ccc1OCCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1	ZINC000821703273	606652736	/nfs/dbraw/zinc/65/27/36/606652736.db2.gz	XOCIYHZCGHYXBO-UHFFFAOYSA-N	-1	1	394.391	2.044	20	30		GEEDMM
COc1cc(C#N)ccc1OCCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1	ZINC000821703273	606652737	/nfs/dbraw/zinc/65/27/37/606652737.db2.gz	XOCIYHZCGHYXBO-UHFFFAOYSA-N	-1	1	394.391	2.044	20	30		GEEDMM
C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1cccc(C#N)c1	ZINC000820437710	606892669	/nfs/dbraw/zinc/89/26/69/606892669.db2.gz	BLXPLHZZZJIWGB-SECBINFHSA-N	-1	1	390.375	2.056	20	30		GEEDMM
C#CC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1ccccc1	ZINC000823838854	607956419	/nfs/dbraw/zinc/95/64/19/607956419.db2.gz	VXTZMGHVNSLNLL-KRWDZBQOSA-N	-1	1	390.447	2.398	20	30		GEEDMM
N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1	ZINC000826385207	607997933	/nfs/dbraw/zinc/99/79/33/607997933.db2.gz	BJADFMSTIBVDTM-INIZCTEOSA-N	-1	1	375.392	2.051	20	30		GEEDMM
CC(=NNC(=S)NCCc1cccs1)c1ccc(-c2nn[n-]n2)s1	ZINC000823953815	608094422	/nfs/dbraw/zinc/09/44/22/608094422.db2.gz	RGEKIROGWBKBOO-UHFFFAOYSA-N	-1	1	377.524	2.421	20	30		GEEDMM
Cc1c(C)n(C2CCCCC2)c(NC(=O)Cn2ccnc2-c2nnn[n-]2)c1C#N	ZINC000826234392	608892349	/nfs/dbraw/zinc/89/23/49/608892349.db2.gz	UEWLFZOXCNUVBP-UHFFFAOYSA-N	-1	1	393.455	2.497	20	30		GEEDMM
Cc1c(C)n(C2CCCCC2)c(NC(=O)Cn2ccnc2-c2nn[n-]n2)c1C#N	ZINC000826234392	608892350	/nfs/dbraw/zinc/89/23/50/608892350.db2.gz	UEWLFZOXCNUVBP-UHFFFAOYSA-N	-1	1	393.455	2.497	20	30		GEEDMM
C[C@H](Nc1nccnc1-c1nnn[n-]1)c1ccc(CNc2nccnc2C#N)cc1	ZINC000824671400	609593811	/nfs/dbraw/zinc/59/38/11/609593811.db2.gz	YLRZUVOPSOCAOW-LBPRGKRZSA-N	-1	1	399.422	2.104	20	30		GEEDMM
C[C@H](Nc1nccnc1-c1nn[n-]n1)c1ccc(CNc2nccnc2C#N)cc1	ZINC000824671400	609593813	/nfs/dbraw/zinc/59/38/13/609593813.db2.gz	YLRZUVOPSOCAOW-LBPRGKRZSA-N	-1	1	399.422	2.104	20	30		GEEDMM
C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451417750	650112304	/nfs/dbraw/zinc/11/23/04/650112304.db2.gz	KWFHZEBRZHELKW-MXQLGCADSA-N	-1	1	377.235	2.065	20	30		GEEDMM
N#CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1	ZINC000476217334	650546796	/nfs/dbraw/zinc/54/67/96/650546796.db2.gz	KWNOZQQAERBZME-UHFFFAOYSA-N	-1	1	376.459	2.273	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)cc1Cl	ZINC000515630174	650593158	/nfs/dbraw/zinc/59/31/58/650593158.db2.gz	UADGBMHEPWJOTC-UHFFFAOYSA-N	-1	1	379.825	2.267	20	30		GEEDMM
N#Cc1cccnc1N1CCN(C(=O)c2ccc(Br)cc2[O-])CC1	ZINC000066042841	642895153	/nfs/dbraw/zinc/89/51/53/642895153.db2.gz	WTRLMOFWRDWWKB-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
Cc1cc([O-])c(C(=O)C=Cc2cnc3ccc(Br)cn23)c(=O)o1	ZINC000119109963	643536392	/nfs/dbraw/zinc/53/63/92/643536392.db2.gz	OPNYKCRHTHIBDJ-NHZBNJEXSA-N	-1	1	375.178	2.325	20	30		GEEDMM
C#Cc1cccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)c1	ZINC000123908239	643679409	/nfs/dbraw/zinc/67/94/09/643679409.db2.gz	AGKHFOODONHMMS-UHFFFAOYSA-N	-1	1	382.438	2.369	20	30		GEEDMM
Cn1cnc(S(=O)(=O)[N-]CC#Cc2ccc(C(F)(F)F)cc2)c1Cl	ZINC000175286670	644388417	/nfs/dbraw/zinc/38/84/17/644388417.db2.gz	AWIBRUFUWFZLCQ-UHFFFAOYSA-N	-1	1	377.775	2.422	20	30		GEEDMM
C=CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N=C2CCCCCN2)cc1	ZINC000268563083	645978050	/nfs/dbraw/zinc/97/80/50/645978050.db2.gz	POIOCMFLJFFPOO-UHFFFAOYSA-N	-1	1	385.511	2.255	20	30		GEEDMM
Cc1nc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)c(Br)n1C	ZINC000287887871	646900047	/nfs/dbraw/zinc/90/00/47/646900047.db2.gz	RDSAWMGBKOOCOF-UHFFFAOYSA-N	-1	1	395.282	2.330	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)cc1Br	ZINC000416670344	648207776	/nfs/dbraw/zinc/20/77/76/648207776.db2.gz	YTBWLCNCKJGRHA-MWLCHTKSSA-N	-1	1	391.262	2.289	20	30		GEEDMM
COc1cnc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(Br)c1	ZINC000427783934	648730429	/nfs/dbraw/zinc/73/04/29/648730429.db2.gz	WXANHBJEBAMXLP-UHFFFAOYSA-N	-1	1	383.227	2.229	20	30		GEEDMM
CCOC(=O)c1sc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)nc1C	ZINC000610549975	651669838	/nfs/dbraw/zinc/66/98/38/651669838.db2.gz	YVMRKZAGDQXAIF-UHFFFAOYSA-N	-1	1	383.426	2.118	20	30		GEEDMM
N#CCC1(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1	ZINC000572417588	651891448	/nfs/dbraw/zinc/89/14/48/651891448.db2.gz	ANSFWDGMPVQQEC-UHFFFAOYSA-N	-1	1	376.265	2.082	20	30		GEEDMM
Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1cccc(CC#N)c1	ZINC000619463031	652059917	/nfs/dbraw/zinc/05/99/17/652059917.db2.gz	SGYKAMVXBRAUCX-UHFFFAOYSA-N	-1	1	378.475	2.407	20	30		GEEDMM
CCN(CC)S(=O)(=O)c1ccc(NN=Cc2cc(C(=O)[O-])cs2)nc1	ZINC000755565037	652469030	/nfs/dbraw/zinc/46/90/30/652469030.db2.gz	ZRNVAVSTBYASEI-UHFFFAOYSA-N	-1	1	382.467	2.318	20	30		GEEDMM
N#Cc1cc(Br)ccc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000597608523	652783325	/nfs/dbraw/zinc/78/33/25/652783325.db2.gz	BMQWGZAHPKYBHS-VIFPVBQESA-N	-1	1	377.198	2.429	20	30		GEEDMM
N#Cc1ccc(NCCNC(=O)NCc2cccc(Br)c2[O-])nc1	ZINC000764765299	652811330	/nfs/dbraw/zinc/81/13/30/652811330.db2.gz	SACUOOOROOSHGV-UHFFFAOYSA-N	-1	1	390.241	2.333	20	30		GEEDMM
CC(=NNC(=S)NCCN1CCOCC1)c1cc(Cl)c(Cl)cc1[O-]	ZINC000765992749	652861924	/nfs/dbraw/zinc/86/19/24/652861924.db2.gz	GDWJXPGSOBHOGT-UHFFFAOYSA-N	-1	1	391.324	2.219	20	30		GEEDMM
O=c1cn[n-]c(=S)n1N=Cc1ccc(OC(F)F)c(Br)c1	ZINC000766474965	652881821	/nfs/dbraw/zinc/88/18/21/652881821.db2.gz	QCVVZGZTIFCFNA-UHFFFAOYSA-N	-1	1	377.170	2.173	20	30		GEEDMM
Cc1ncc(C=Nn2c(=O)cn[n-]c2=S)n1-c1ccc(Br)cc1	ZINC000766481844	652881864	/nfs/dbraw/zinc/88/18/64/652881864.db2.gz	CRLYLFNNBDFUJH-UHFFFAOYSA-N	-1	1	391.254	2.066	20	30		GEEDMM
C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br	ZINC000770390977	653211264	/nfs/dbraw/zinc/21/12/64/653211264.db2.gz	PIZUSYVAMUCMHO-SNVBAGLBSA-N	-1	1	392.246	2.455	20	30		GEEDMM
Cc1cc([O-])c(C(=O)C=Cc2cn3ccc(Br)cc3n2)c(=O)o1	ZINC000811684700	653401752	/nfs/dbraw/zinc/40/17/52/653401752.db2.gz	BFRAUAJJBRRARO-GWQWAINWSA-N	-1	1	375.178	2.325	20	30		GEEDMM
C=CCNc1ncc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1	ZINC000812279040	653419936	/nfs/dbraw/zinc/41/99/36/653419936.db2.gz	RUDWWSSVRHOBJE-SNVBAGLBSA-N	-1	1	376.404	2.272	20	30		GEEDMM
N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(N)=O)CC3)ccc1Cl	ZINC000782532883	653663844	/nfs/dbraw/zinc/66/38/44/653663844.db2.gz	BIDNELWZVLFGDD-UHFFFAOYSA-N	-1	1	376.825	2.454	20	30		GEEDMM
O=[N+]([O-])c1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1	ZINC000783850433	653685604	/nfs/dbraw/zinc/68/56/04/653685604.db2.gz	WHIWPMUCJXUDBQ-UHFFFAOYSA-N	-1	1	384.757	2.469	20	30		GEEDMM
CC(C)OCCO[N-]C(=O)C1CN(c2ccc(Br)cc2C#N)C1	ZINC000843893926	653796377	/nfs/dbraw/zinc/79/63/77/653796377.db2.gz	KIVASMQAXKNSEV-UHFFFAOYSA-N	-1	1	382.258	2.230	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)C(F)(F)F)c(Cl)c1	ZINC000882781499	653807270	/nfs/dbraw/zinc/80/72/70/653807270.db2.gz	OCKGZZYLQMYFBD-SECBINFHSA-N	-1	1	378.706	2.048	20	30		GEEDMM
C#C[C@H](CC)[N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1	ZINC000867198988	653892809	/nfs/dbraw/zinc/89/28/09/653892809.db2.gz	SVWRKVTWZANQDK-NSPYISDASA-N	-1	1	379.301	2.152	20	30		GEEDMM
C#C[C@H](CC)[N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1	ZINC000867198990	653892852	/nfs/dbraw/zinc/89/28/52/653892852.db2.gz	SVWRKVTWZANQDK-WYRIXSBYSA-N	-1	1	379.301	2.152	20	30		GEEDMM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F	ZINC000916153726	654085836	/nfs/dbraw/zinc/08/58/36/654085836.db2.gz	KATHDYNZJIFCLV-VIFPVBQESA-N	-1	1	382.251	2.202	20	30		GEEDMM
Cc1cc([O-])c(C(=O)C=Cc2cc(Br)c3c(c2)OCCO3)c(=O)o1	ZINC000917516985	654127113	/nfs/dbraw/zinc/12/71/13/654127113.db2.gz	GVHNTQFNBOYIPB-GWQWAINWSA-N	-1	1	393.189	2.449	20	30		GEEDMM
N#Cc1ccc(NCC[N-]S(=O)(=O)c2sccc2Br)nc1	ZINC000917879525	654136675	/nfs/dbraw/zinc/13/66/75/654136675.db2.gz	FCWPRNKYQDJOKU-UHFFFAOYSA-N	-1	1	387.284	2.168	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H]1CCCO1	ZINC000831140950	654166971	/nfs/dbraw/zinc/16/69/71/654166971.db2.gz	OTGZNKQYTZSDPY-KOLCDFICSA-N	-1	1	379.221	2.361	20	30		GEEDMM
C#C[C@@H](CCC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F	ZINC000831299839	654177496	/nfs/dbraw/zinc/17/74/96/654177496.db2.gz	RYKFYRPPBIQUEH-LBPRGKRZSA-N	-1	1	376.475	2.058	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C1CCOCC1	ZINC000851829764	654185759	/nfs/dbraw/zinc/18/57/59/654185759.db2.gz	QKIDBXKUKKVFMV-ZDUSSCGKSA-N	-1	1	394.237	2.434	20	30		GEEDMM
C[C@@H](C(=O)[N-]CC(F)(F)F)S(=O)(=O)Cc1c(F)c(F)c(F)c(F)c1F	ZINC000912934733	654774709	/nfs/dbraw/zinc/77/47/09/654774709.db2.gz	PINRHCPECOPFQS-BYPYZUCNSA-N	-1	1	399.259	2.364	20	30		GEEDMM
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1C	ZINC000515693871	532371310	/nfs/dbraw/zinc/37/13/10/532371310.db2.gz	HMPDEUUOOXERIG-UHFFFAOYSA-N	-1	1	399.881	2.229	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)o1	ZINC000376319833	532606819	/nfs/dbraw/zinc/60/68/19/532606819.db2.gz	FSMGYTFRBKQQJO-ZDUSSCGKSA-N	-1	1	383.788	2.028	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)o1	ZINC000376350912	532609085	/nfs/dbraw/zinc/60/90/85/532609085.db2.gz	RQRSQWNFBPWOOZ-ZDUSSCGKSA-N	-1	1	383.788	2.028	20	30		GEEDMM
CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1	ZINC000599517537	532665237	/nfs/dbraw/zinc/66/52/37/532665237.db2.gz	DITVKFCCONFTIG-WAAGHKOSSA-N	-1	1	377.235	2.163	20	30		GEEDMM
COc1nsc(C[N-]S(=O)(=O)CC2(C#N)CCCC2)c1Br	ZINC000603400396	532692790	/nfs/dbraw/zinc/69/27/90/532692790.db2.gz	HQPRJDVULPCAGU-UHFFFAOYSA-N	-1	1	394.316	2.418	20	30		GEEDMM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000452032178	532771568	/nfs/dbraw/zinc/77/15/68/532771568.db2.gz	VSLDDQLSFPGELV-SNVBAGLBSA-N	-1	1	377.235	2.065	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCOC2)cc1Br	ZINC000330598405	532821862	/nfs/dbraw/zinc/82/18/62/532821862.db2.gz	TUHWSHMJNDFLEX-LLVKDONJSA-N	-1	1	399.188	2.320	20	30		GEEDMM
CC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000288981073	532843757	/nfs/dbraw/zinc/84/37/57/532843757.db2.gz	BIFWPCVVVWOAME-SECBINFHSA-N	-1	1	379.251	2.147	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1	ZINC000737467730	599128898	/nfs/dbraw/zinc/12/88/98/599128898.db2.gz	RPFQOOQZNTXLQP-SNVBAGLBSA-N	-1	1	376.421	2.256	20	30		GEEDMM
CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000821601697	607344464	/nfs/dbraw/zinc/34/44/64/607344464.db2.gz	VJUIUGAAHIKLPJ-UHFFFAOYSA-N	-1	1	391.361	2.131	20	30		GEEDMM
CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000821601697	607344465	/nfs/dbraw/zinc/34/44/65/607344465.db2.gz	VJUIUGAAHIKLPJ-UHFFFAOYSA-N	-1	1	391.361	2.131	20	30		GEEDMM
N#Cc1c(F)cccc1Oc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1	ZINC000737706056	598409521	/nfs/dbraw/zinc/40/95/21/598409521.db2.gz	VGSNFNNMESJCOF-UHFFFAOYSA-N	-1	1	390.338	2.137	20	30		GEEDMM
C#CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)Cc1ccc(F)cc1	ZINC000819697939	607363706	/nfs/dbraw/zinc/36/37/06/607363706.db2.gz	OQYUHBLSMLVLQS-UHFFFAOYSA-N	-1	1	382.399	2.290	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1ccc(F)cc1C#N	ZINC000737200242	598705959	/nfs/dbraw/zinc/70/59/59/598705959.db2.gz	KSYPHWREHIDSIW-UHFFFAOYSA-N	-1	1	396.382	2.271	20	30		GEEDMM
C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000736205324	600103490	/nfs/dbraw/zinc/10/34/90/600103490.db2.gz	NQSRVAPLSIPWNB-HNNXBMFYSA-N	-1	1	385.464	2.113	20	30		GEEDMM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCSC[C@@H]1CC(=O)[O-]	ZINC000833064447	601022318	/nfs/dbraw/zinc/02/23/18/601022318.db2.gz	JBMRCKNCSKUNBV-UONOGXRCSA-N	-1	1	382.445	2.116	20	30		GEEDMM
C=CCOc1ccc(/C=C\C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1OC	ZINC000825698784	601095716	/nfs/dbraw/zinc/09/57/16/601095716.db2.gz	JJTWGCQXYJSCBR-QKIRZYONSA-N	-1	1	388.464	2.281	20	30		GEEDMM
N#Cc1cccc([C@H](NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)C(=O)[O-])c1	ZINC000833076655	601303594	/nfs/dbraw/zinc/30/35/94/601303594.db2.gz	XSJPOXSGGGHVDE-UXHICEINSA-N	-1	1	393.443	2.383	20	30		GEEDMM
C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1	ZINC000825687415	601836780	/nfs/dbraw/zinc/83/67/80/601836780.db2.gz	JILBVNUTVAHHEO-UHFFFAOYSA-N	-1	1	395.824	2.150	20	30		GEEDMM
CCOc1cc(C#N)ccc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1	ZINC000825615765	607576932	/nfs/dbraw/zinc/57/69/32/607576932.db2.gz	JTSAFKPOQQVWPZ-UHFFFAOYSA-N	-1	1	385.405	2.213	20	30		GEEDMM
C[C@@H]1CN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[C@H]1NC(=O)[O-]	ZINC000739179023	602775382	/nfs/dbraw/zinc/77/53/82/602775382.db2.gz	KZWMKVHTQXAHRA-BPLDGKMQSA-N	-1	1	379.420	2.202	20	30		GEEDMM
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1	ZINC000833635860	605052589	/nfs/dbraw/zinc/05/25/89/605052589.db2.gz	BGZBBYMTXOFRSJ-RDJZCZTQSA-N	-1	1	388.468	2.058	20	30		GEEDMM
C=CCOc1ccc(/C=C\C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1OC	ZINC000833377949	605110844	/nfs/dbraw/zinc/11/08/44/605110844.db2.gz	RSQPCQSZTVIKMJ-QKIRZYONSA-N	-1	1	388.464	2.281	20	30		GEEDMM
N#CC1(NC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)CCN(Cc2ccccc2)CC1	ZINC000833963387	605415646	/nfs/dbraw/zinc/41/56/46/605415646.db2.gz	LYKKDJZMJSKOOK-ZWKOTPCHSA-N	-1	1	384.480	2.487	20	30		GEEDMM
N#CC1(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)CCN(Cc2ccccc2)CC1	ZINC000833963385	605415748	/nfs/dbraw/zinc/41/57/48/605415748.db2.gz	LYKKDJZMJSKOOK-QZTJIDSGSA-N	-1	1	384.480	2.487	20	30		GEEDMM
N#Cc1cc(S(=O)(=O)Nc2cnc3c(c2)CN(C(=O)[O-])CC3)ccc1Cl	ZINC000833975504	605877043	/nfs/dbraw/zinc/87/70/43/605877043.db2.gz	YBYUVFXYJOZVAA-UHFFFAOYSA-N	-1	1	392.824	2.444	20	30		GEEDMM
C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H](NC(=O)[O-])C3)sc2C1	ZINC000739112701	605929810	/nfs/dbraw/zinc/92/98/10/605929810.db2.gz	GZFZWVYPUPKXJD-NEPJUHHUSA-N	-1	1	376.482	2.415	20	30		GEEDMM
C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(CCC#N)c1ccccc1	ZINC000820506514	606133558	/nfs/dbraw/zinc/13/35/58/606133558.db2.gz	BBXXPIIWONCXDX-GFCCVEGCSA-N	-1	1	396.432	2.420	20	30		GEEDMM
C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(CCC#N)c1ccccc1	ZINC000820506514	606133560	/nfs/dbraw/zinc/13/35/60/606133560.db2.gz	BBXXPIIWONCXDX-GFCCVEGCSA-N	-1	1	396.432	2.420	20	30		GEEDMM
CC[C@@]1(c2ccccc2)NC(=O)N(N=Cc2ccc(-c3nn[n-]n3)s2)C1=O	ZINC000820967894	606368496	/nfs/dbraw/zinc/36/84/96/606368496.db2.gz	XYUVXGUQBAQBAD-KRWDZBQOSA-N	-1	1	381.421	2.119	20	30		GEEDMM
C=CCc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc(OC)c1OC	ZINC000819759353	606647558	/nfs/dbraw/zinc/64/75/58/606647558.db2.gz	VCSIILIJGLZRMS-UHFFFAOYSA-N	-1	1	381.392	2.364	20	30		GEEDMM
C=CCc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc(OC)c1OC	ZINC000819759353	606647559	/nfs/dbraw/zinc/64/75/59/606647559.db2.gz	VCSIILIJGLZRMS-UHFFFAOYSA-N	-1	1	381.392	2.364	20	30		GEEDMM
C=CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccncc1	ZINC000819733711	606891524	/nfs/dbraw/zinc/89/15/24/606891524.db2.gz	AONFRODXFKAMIK-CQSZACIVSA-N	-1	1	392.391	2.136	20	30		GEEDMM
Cc1nn(-c2ccccc2)c(COC(=O)C2(C#N)CC(C)C2)c1-c1nn[n-]n1	ZINC000822486969	607115474	/nfs/dbraw/zinc/11/54/74/607115474.db2.gz	VDXPXRQRZPTOKG-UHFFFAOYSA-N	-1	1	377.408	2.344	20	30		GEEDMM
C=CCn1c(=O)c2ccc(Cl)cc2nc1Sc1ccc(-c2nnn[n-]2)nn1	ZINC000823937169	608388190	/nfs/dbraw/zinc/38/81/90/608388190.db2.gz	KXONIFYHGSSASU-UHFFFAOYSA-N	-1	1	398.839	2.357	20	30		GEEDMM
C=CCn1c(=O)c2ccc(Cl)cc2nc1Sc1ccc(-c2nn[n-]n2)nn1	ZINC000823937169	608388192	/nfs/dbraw/zinc/38/81/92/608388192.db2.gz	KXONIFYHGSSASU-UHFFFAOYSA-N	-1	1	398.839	2.357	20	30		GEEDMM
C#CCOCCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1	ZINC000823856130	609607694	/nfs/dbraw/zinc/60/76/94/609607694.db2.gz	KEKOVPTVUDBARN-UHFFFAOYSA-N	-1	1	382.449	2.044	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](O)C2)cc1Br	ZINC000451242268	650097732	/nfs/dbraw/zinc/09/77/32/650097732.db2.gz	MGJZGDRVXXOSAW-KOLCDFICSA-N	-1	1	391.262	2.289	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C2CC2)cc1Br	ZINC000451350191	650106054	/nfs/dbraw/zinc/10/60/54/650106054.db2.gz	CGXLNSCWJXFWEQ-TZMCWYRMSA-N	-1	1	389.246	2.306	20	30		GEEDMM
CCC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(=O)OC	ZINC000451371671	650108481	/nfs/dbraw/zinc/10/84/81/650108481.db2.gz	DXVQDKNXFMPVET-LLVKDONJSA-N	-1	1	393.234	2.080	20	30		GEEDMM
C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451391735	650110499	/nfs/dbraw/zinc/11/04/99/650110499.db2.gz	HEOXAZMQAPZLIC-OQPBUACISA-N	-1	1	377.235	2.306	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)C2CCCC2)cc1Br	ZINC000451565556	650125808	/nfs/dbraw/zinc/12/58/08/650125808.db2.gz	LDLZOBUVYVBYHW-ZDUSSCGKSA-N	-1	1	391.262	2.289	20	30		GEEDMM
CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)no1	ZINC000451573197	650126594	/nfs/dbraw/zinc/12/65/94/650126594.db2.gz	TXJMRGUOZDLYAY-JTQLQIEISA-N	-1	1	384.845	2.365	20	30		GEEDMM
N#Cc1ncn(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1	ZINC000511429526	650536873	/nfs/dbraw/zinc/53/68/73/650536873.db2.gz	NIYJMPZRCQJURS-UHFFFAOYSA-N	-1	1	380.644	2.088	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2I)cc1	ZINC000539599004	650845746	/nfs/dbraw/zinc/84/57/46/650845746.db2.gz	DNJFUVDVFVGWIY-UHFFFAOYSA-N	-1	1	385.186	2.359	20	30		GEEDMM
COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)c(Br)o1	ZINC000177525884	644416415	/nfs/dbraw/zinc/41/64/15/644416415.db2.gz	LKEMQXHNXAZTTJ-UHFFFAOYSA-N	-1	1	399.222	2.179	20	30		GEEDMM
C=CC[C@H](CC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC	ZINC000546054998	650989102	/nfs/dbraw/zinc/98/91/02/650989102.db2.gz	NXQDPTAMDDUYDX-ZDUSSCGKSA-N	-1	1	390.527	2.480	20	30		GEEDMM
Cc1cc([O-])c(C(=O)C=Cc2cnc3ccc(Br)cn23)c(=O)o1	ZINC000255730151	645585079	/nfs/dbraw/zinc/58/50/79/645585079.db2.gz	OPNYKCRHTHIBDJ-JZIMQPMSSA-N	-1	1	375.178	2.325	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-]Cc2nc(-c3cccc(Br)c3)no2)CC1	ZINC000279240551	646586847	/nfs/dbraw/zinc/58/68/47/646586847.db2.gz	ZWPVNKZVPSOPBD-UHFFFAOYSA-N	-1	1	397.254	2.222	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cc3c(c(Br)c2)OCO3)o1	ZINC000553461920	651176626	/nfs/dbraw/zinc/17/66/26/651176626.db2.gz	CPRLWGIVUSGECF-UHFFFAOYSA-N	-1	1	385.195	2.121	20	30		GEEDMM
CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000557844332	651274583	/nfs/dbraw/zinc/27/45/83/651274583.db2.gz	BWBXRDVYTURJDB-AWEZNQCLSA-N	-1	1	382.825	2.257	20	30		GEEDMM
C=CC[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1	ZINC000657094018	652112584	/nfs/dbraw/zinc/11/25/84/652112584.db2.gz	LQGQPJAVEOSBHP-LBPRGKRZSA-N	-1	1	376.475	2.174	20	30		GEEDMM
CO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CCOC1	ZINC000594694641	652673402	/nfs/dbraw/zinc/67/34/02/652673402.db2.gz	NIAQXFQXGBJAPQ-SMDDNHRTSA-N	-1	1	378.372	2.370	20	30		GEEDMM
CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1	ZINC000594831672	652690825	/nfs/dbraw/zinc/69/08/25/652690825.db2.gz	VHIUJPUZHBGIHW-MGCOHNPYSA-N	-1	1	377.235	2.306	20	30		GEEDMM
O=c1cn[n-]c(=S)n1N=Cc1ccc(Br)c(Br)c1	ZINC000766473847	652881210	/nfs/dbraw/zinc/88/12/10/652881210.db2.gz	IJQKUGRRYUUFKF-UHFFFAOYSA-N	-1	1	390.060	2.334	20	30		GEEDMM
C=CCOc1c(Br)cc(C=Nn2c(=O)cn[n-]c2=S)cc1OC	ZINC000766483148	652881735	/nfs/dbraw/zinc/88/17/35/652881735.db2.gz	UAEXZAUDLFPVAU-UHFFFAOYSA-N	-1	1	397.254	2.145	20	30		GEEDMM
C#CCCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1	ZINC000767203704	652915267	/nfs/dbraw/zinc/91/52/67/652915267.db2.gz	GDJOSIYHKMTQJS-UHFFFAOYSA-N	-1	1	380.388	2.384	20	30		GEEDMM
COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)CCC#N)c(Br)o1	ZINC000805139078	653100366	/nfs/dbraw/zinc/10/03/66/653100366.db2.gz	NOZDRUGDPRLPSU-UHFFFAOYSA-N	-1	1	393.259	2.437	20	30		GEEDMM
COC(=O)c1cc(F)c(Br)c(S(=O)(=O)[N-]CC(C)(C)C#N)c1	ZINC000770278141	653206954	/nfs/dbraw/zinc/20/69/54/653206954.db2.gz	WTLBNFPIFMWFDT-UHFFFAOYSA-N	-1	1	393.234	2.203	20	30		GEEDMM
C=CCS(=O)(=O)CCNC(=O)c1c([O-])cnc2c(Br)cccc21	ZINC000810996332	653368895	/nfs/dbraw/zinc/36/88/95/653368895.db2.gz	MNVWKQRXDRXACM-UHFFFAOYSA-N	-1	1	399.266	2.034	20	30		GEEDMM
CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc2c(s1)SCC(=O)N2	ZINC000778537809	653447118	/nfs/dbraw/zinc/44/71/18/653447118.db2.gz	GVNUXWXEOQSOHZ-UHFFFAOYSA-N	-1	1	392.487	2.255	20	30		GEEDMM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000859426819	653463408	/nfs/dbraw/zinc/46/34/08/653463408.db2.gz	XXFNZQUVSVKJJL-LLVKDONJSA-N	-1	1	391.243	2.064	20	30		GEEDMM
CC1(C)Cc2nc(N)sc2C(=NN=C2[N-]S(=O)(=O)c3ccccc32)C1	ZINC000814798281	653639447	/nfs/dbraw/zinc/63/94/47/653639447.db2.gz	AXKWKEQFDBVUGD-UHFFFAOYSA-N	-1	1	375.479	2.141	20	30		GEEDMM
Cc1nc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c(Br)n1C	ZINC000840945808	653702826	/nfs/dbraw/zinc/70/28/26/653702826.db2.gz	YFAJICYNJOLEMD-TVQRCGJNSA-N	-1	1	375.292	2.242	20	30		GEEDMM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F	ZINC000841527338	653727656	/nfs/dbraw/zinc/72/76/56/653727656.db2.gz	YHDSVHHZPOAREA-OLZOCXBDSA-N	-1	1	377.821	2.278	20	30		GEEDMM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F	ZINC000819892601	653760552	/nfs/dbraw/zinc/76/05/52/653760552.db2.gz	HFJSPBHOGHGARA-ZANVPECISA-N	-1	1	377.821	2.135	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C1CCOCC1	ZINC000882414700	653780793	/nfs/dbraw/zinc/78/07/93/653780793.db2.gz	MPIPCVYTGRGMQQ-LLVKDONJSA-N	-1	1	382.791	2.461	20	30		GEEDMM
O=c1nc(C=N[O-])ccn1Cc1ccc(I)cc1Cl	ZINC000794883913	653922906	/nfs/dbraw/zinc/92/29/06/653922906.db2.gz	MHEKIJCUIMNJTB-UHFFFAOYSA-N	-1	1	389.580	2.358	20	30		GEEDMM
N#Cc1c(-c2nn[n-]n2)ncn1CCCC(=O)c1ccc(Br)cc1	ZINC000826382995	653950400	/nfs/dbraw/zinc/95/04/00/653950400.db2.gz	FGYCRMZHMJJZOE-UHFFFAOYSA-N	-1	1	386.213	2.360	20	30		GEEDMM
CC#CCC[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F	ZINC000795913068	653976928	/nfs/dbraw/zinc/97/69/28/653976928.db2.gz	AWPHSWKVKVFJSK-UHFFFAOYSA-N	-1	1	392.246	2.457	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)[C@@H]1CCCO1	ZINC000795931266	653978246	/nfs/dbraw/zinc/97/82/46/653978246.db2.gz	LHGKICZLSMTMBL-OLZOCXBDSA-N	-1	1	392.260	2.239	20	30		GEEDMM
C#CCC[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000798488061	654065877	/nfs/dbraw/zinc/06/58/77/654065877.db2.gz	FTFYUFDMJJOZBW-VIFPVBQESA-N	-1	1	384.654	2.294	20	30		GEEDMM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)OCC(F)(F)F)c(F)c1	ZINC000829622341	654074718	/nfs/dbraw/zinc/07/47/18/654074718.db2.gz	NPLJCOZITZPMQZ-UHFFFAOYSA-N	-1	1	379.353	2.245	20	30		GEEDMM
CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000830614815	654129448	/nfs/dbraw/zinc/12/94/48/654129448.db2.gz	OEAIOBLEPAXSKK-SNVBAGLBSA-N	-1	1	379.251	2.145	20	30		GEEDMM
COC(=O)CC(C)(C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000830663236	654133505	/nfs/dbraw/zinc/13/35/05/654133505.db2.gz	CCJIYXKBERVPAG-UHFFFAOYSA-N	-1	1	393.234	2.080	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C1CCOCC1	ZINC000851829630	654185591	/nfs/dbraw/zinc/18/55/91/654185591.db2.gz	OJVPMCWZJAJOFR-ZDUSSCGKSA-N	-1	1	376.247	2.295	20	30		GEEDMM
C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F	ZINC000919807905	654192437	/nfs/dbraw/zinc/19/24/37/654192437.db2.gz	GSDMBQALLBQEIA-SECBINFHSA-N	-1	1	382.251	2.202	20	30		GEEDMM
CC(C)(C)OC(=O)NCC[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)C(F)F	ZINC000831976170	654221817	/nfs/dbraw/zinc/22/18/17/654221817.db2.gz	LPTOHDZFCNNONM-NSHDSACASA-N	-1	1	383.461	2.394	20	30		GEEDMM
C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1nc(C)n(C)c1Br	ZINC000805103888	654349648	/nfs/dbraw/zinc/34/96/48/654349648.db2.gz	QPEVWUSUESQWLZ-CQSZACIVSA-N	-1	1	396.310	2.404	20	30		GEEDMM
C#C[C@H](NC(=O)c1ccc(I)c([O-])c1)C1CCOCC1	ZINC000856102926	654461694	/nfs/dbraw/zinc/46/16/94/654461694.db2.gz	HTFJGRDMKPPFGA-ZDUSSCGKSA-N	-1	1	385.201	2.155	20	30		GEEDMM
C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C	ZINC000926606651	654577712	/nfs/dbraw/zinc/57/77/12/654577712.db2.gz	BBPJPYIVCBFPPG-UHFFFAOYSA-N	-1	1	384.885	2.065	20	30		GEEDMM
C=CCCCC[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12	ZINC000914386577	654849983	/nfs/dbraw/zinc/84/99/83/654849983.db2.gz	GLPVFYZTVHBOIR-UHFFFAOYSA-N	-1	1	389.275	2.135	20	30		GEEDMM
Cn1ncc2c1[n-]cc(C(=O)N[C@@H](C#N)c1cccc(Br)c1)c2=O	ZINC000181889283	532307349	/nfs/dbraw/zinc/30/73/49/532307349.db2.gz	QNSBMZWDHUKDFX-ZDUSSCGKSA-N	-1	1	386.209	2.431	20	30		GEEDMM
N#Cc1ccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1[O-]	ZINC000190496960	532356325	/nfs/dbraw/zinc/35/63/25/532356325.db2.gz	ZTNSWDIFNUFSGK-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
C[C@H](CCCO)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295288711	532431023	/nfs/dbraw/zinc/43/10/23/532431023.db2.gz	NFHNIRPFPYPFQW-SECBINFHSA-N	-1	1	379.251	2.147	20	30		GEEDMM
COc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F	ZINC000594490899	532512397	/nfs/dbraw/zinc/51/23/97/532512397.db2.gz	WZGIMKSQSXHYFS-RISCZKNCSA-N	-1	1	378.372	2.345	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CCC1	ZINC000528533150	532571029	/nfs/dbraw/zinc/57/10/29/532571029.db2.gz	GGFGDPIFZQLHDW-ZDUSSCGKSA-N	-1	1	385.848	2.198	20	30		GEEDMM
Cc1cc(NC(=O)c2cc(I)ccc2[O-])nn1CCC#N	ZINC000436662209	532640822	/nfs/dbraw/zinc/64/08/22/532640822.db2.gz	FXWOWDNMAJIAOB-UHFFFAOYSA-N	-1	1	396.188	2.668	20	30		GEEDMM
N#CCCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000285297130	532667464	/nfs/dbraw/zinc/66/74/64/532667464.db2.gz	UFUMGGKWSFXIME-UHFFFAOYSA-N	-1	1	380.195	2.469	20	30		GEEDMM
Cn1ncc2c1nc(Oc1ccc(C#N)cc1I)[n-]c2=O	ZINC000541921985	532763341	/nfs/dbraw/zinc/76/33/41/532763341.db2.gz	XSJJEEKYKPOZOL-UHFFFAOYSA-N	-1	1	393.144	2.337	20	30		GEEDMM
CCC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451224432	532761889	/nfs/dbraw/zinc/76/18/89/532761889.db2.gz	CCQIEUXTVCUVEH-ZDUSSCGKSA-N	-1	1	379.251	2.289	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCCC[C@H]2O)cc1Br	ZINC000332345813	532852138	/nfs/dbraw/zinc/85/21/38/532852138.db2.gz	QOWYWSBKAMPYDZ-CHWSQXEVSA-N	-1	1	391.262	2.432	20	30		GEEDMM
CN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000736822731	598874740	/nfs/dbraw/zinc/87/47/40/598874740.db2.gz	RTWHTOUEEUXWDX-UHFFFAOYSA-N	-1	1	388.840	2.212	20	30		GEEDMM
CN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1	ZINC000736822731	598874741	/nfs/dbraw/zinc/87/47/41/598874741.db2.gz	RTWHTOUEEUXWDX-UHFFFAOYSA-N	-1	1	388.840	2.212	20	30		GEEDMM
N#C[C@@H]1CN(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CCO1	ZINC000737678956	598907151	/nfs/dbraw/zinc/90/71/51/598907151.db2.gz	MYYDZIRVCDNZPG-CQSZACIVSA-N	-1	1	395.448	2.029	20	30		GEEDMM
N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Br)cc1	ZINC000737674049	599021305	/nfs/dbraw/zinc/02/13/05/599021305.db2.gz	GBOGNRQAFACYMJ-CYBMUJFWSA-N	-1	1	384.197	2.019	20	30		GEEDMM
N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Br)cc1	ZINC000737674049	599021306	/nfs/dbraw/zinc/02/13/06/599021306.db2.gz	GBOGNRQAFACYMJ-CYBMUJFWSA-N	-1	1	384.197	2.019	20	30		GEEDMM
C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735426262	599139888	/nfs/dbraw/zinc/13/98/88/599139888.db2.gz	NKCQVYGQSWETRJ-LBPRGKRZSA-N	-1	1	398.448	2.083	20	30		GEEDMM
C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735426262	599139889	/nfs/dbraw/zinc/13/98/89/599139889.db2.gz	NKCQVYGQSWETRJ-LBPRGKRZSA-N	-1	1	398.448	2.083	20	30		GEEDMM
COc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000737082375	598392642	/nfs/dbraw/zinc/39/26/42/598392642.db2.gz	IUDIOWUTOBXZET-UHFFFAOYSA-N	-1	1	386.372	2.416	20	30		GEEDMM
C#CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)cc1	ZINC000735380948	598495683	/nfs/dbraw/zinc/49/56/83/598495683.db2.gz	ORLDLRJOCQPEGT-UHFFFAOYSA-N	-1	1	389.824	2.333	20	30		GEEDMM
C#Cc1ccc(C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)cn1	ZINC000735390240	598780384	/nfs/dbraw/zinc/78/03/84/598780384.db2.gz	UTJKDXJHFSZEAB-UHFFFAOYSA-N	-1	1	385.387	2.094	20	30		GEEDMM
CC(C)(C)c1nc(-c2nn[nH]n2)c([N-]N=C2CCN(Cc3ccccc3)C2=O)o1	ZINC000819965579	599335950	/nfs/dbraw/zinc/33/59/50/599335950.db2.gz	IXZBYWMUAADDSS-UHFFFAOYSA-N	-1	1	394.439	2.353	20	30		GEEDMM
C=CCOCCCC(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1	ZINC000819759165	599668513	/nfs/dbraw/zinc/66/85/13/599668513.db2.gz	PKHRLJPOFRJWSI-UHFFFAOYSA-N	-1	1	382.424	2.387	20	30		GEEDMM
Cc1nc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)sc1SCC#N	ZINC000738864874	600056231	/nfs/dbraw/zinc/05/62/31/600056231.db2.gz	IWCUXPKTAUZDQB-UHFFFAOYSA-N	-1	1	399.475	2.331	20	30		GEEDMM
C=CCN(CC=C)C(=O)c1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000509585153	600677624	/nfs/dbraw/zinc/67/76/24/600677624.db2.gz	NDTWAIDEWABKOK-UHFFFAOYSA-N	-1	1	389.433	2.328	20	30		GEEDMM
Cc1cc(C)c(C(=O)OCCc2c(C(=O)[O-])[nH]n(-c3ccc(C#N)cc3)c2=O)o1	ZINC000832872500	601142415	/nfs/dbraw/zinc/14/24/15/601142415.db2.gz	YVGPQZSCSYMFOM-UHFFFAOYSA-N	-1	1	395.371	2.345	20	30		GEEDMM
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1C#N	ZINC000832849977	601517571	/nfs/dbraw/zinc/51/75/71/601517571.db2.gz	VHYBSGFRNIFLLR-YVEFUNNKSA-N	-1	1	384.436	2.209	20	30		GEEDMM
CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(CO)c2ccc(F)cc2F)o1	ZINC000824280445	607530382	/nfs/dbraw/zinc/53/03/82/607530382.db2.gz	NYURSDNHSUGUMF-UHFFFAOYSA-N	-1	1	377.355	2.140	20	30		GEEDMM
N#Cc1ccc(CN2CCCN(C(=O)NC[C@@H]3CCCN(C(=O)[O-])C3)CC2)cc1	ZINC000740312208	602170870	/nfs/dbraw/zinc/17/08/70/602170870.db2.gz	CYWPNDDYXVZNMO-IBGZPJMESA-N	-1	1	399.495	2.166	20	30		GEEDMM
CCOc1cc(C#N)ccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000825615901	607576962	/nfs/dbraw/zinc/57/69/62/607576962.db2.gz	OXAYXLIJPOKEKU-UHFFFAOYSA-N	-1	1	389.368	2.044	20	30		GEEDMM
CCOc1cc(C#N)ccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000825615901	607576964	/nfs/dbraw/zinc/57/69/64/607576964.db2.gz	OXAYXLIJPOKEKU-UHFFFAOYSA-N	-1	1	389.368	2.044	20	30		GEEDMM
N#CCCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1	ZINC000826382252	607581011	/nfs/dbraw/zinc/58/10/11/607581011.db2.gz	VMQXJQIHDXISFU-UHFFFAOYSA-N	-1	1	392.828	2.218	20	30		GEEDMM
CC(C)[C@@H](CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)NC(=O)[O-]	ZINC000738784931	602849844	/nfs/dbraw/zinc/84/98/44/602849844.db2.gz	MICLBGODUYSZCG-GOSISDBHSA-N	-1	1	387.484	2.068	20	30		GEEDMM
C#CCOc1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1	ZINC000823861972	607609090	/nfs/dbraw/zinc/60/90/90/607609090.db2.gz	VTJHXGSBAGIECH-UHFFFAOYSA-N	-1	1	390.808	2.300	20	30		GEEDMM
C#CCOc1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1	ZINC000823861972	607609093	/nfs/dbraw/zinc/60/90/93/607609093.db2.gz	VTJHXGSBAGIECH-UHFFFAOYSA-N	-1	1	390.808	2.300	20	30		GEEDMM
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1cccc(C#N)c1	ZINC000824641807	607655565	/nfs/dbraw/zinc/65/55/65/607655565.db2.gz	ZDPMDOZZUNRVJA-JTQLQIEISA-N	-1	1	388.840	2.431	20	30		GEEDMM
C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1cccc(C#N)c1	ZINC000824641424	607657133	/nfs/dbraw/zinc/65/71/33/607657133.db2.gz	WKKLHOBOINSBPG-JTQLQIEISA-N	-1	1	388.840	2.431	20	30		GEEDMM
C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1cccc(C#N)c1	ZINC000824641424	607657135	/nfs/dbraw/zinc/65/71/35/607657135.db2.gz	WKKLHOBOINSBPG-JTQLQIEISA-N	-1	1	388.840	2.431	20	30		GEEDMM
N#Cc1ccc(CC(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cc1	ZINC000831123070	603913555	/nfs/dbraw/zinc/91/35/55/603913555.db2.gz	ZSWSHNLYOGPJJC-UHFFFAOYSA-N	-1	1	376.376	2.292	20	30		GEEDMM
N#Cc1ccc(CC(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cc1	ZINC000831123070	603913557	/nfs/dbraw/zinc/91/35/57/603913557.db2.gz	ZSWSHNLYOGPJJC-UHFFFAOYSA-N	-1	1	376.376	2.292	20	30		GEEDMM
N#CC1(NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)CCN(Cc2ccccc2)CC1	ZINC000833963386	605415742	/nfs/dbraw/zinc/41/57/42/605415742.db2.gz	LYKKDJZMJSKOOK-ROUUACIJSA-N	-1	1	384.480	2.487	20	30		GEEDMM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN(C1CC1)[C@H]1CCN(C(=O)[O-])C1	ZINC000833963262	605780880	/nfs/dbraw/zinc/78/08/80/605780880.db2.gz	KLGWMSFCLKQSHZ-JKSUJKDBSA-N	-1	1	391.431	2.440	20	30		GEEDMM
Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H]2CCN(c3sccc3C#N)C2=O)n1	ZINC000822427408	606311240	/nfs/dbraw/zinc/31/12/40/606311240.db2.gz	MPTYAPHHNAJPPV-LLVKDONJSA-N	-1	1	398.477	2.104	20	30		GEEDMM
CN(C)C(=O)COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1	ZINC000821578286	606388771	/nfs/dbraw/zinc/38/87/71/606388771.db2.gz	WXWXWEQDWOOGLM-VQHVLOKHSA-N	-1	1	383.433	2.291	20	30		GEEDMM
N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1	ZINC000822833374	606550558	/nfs/dbraw/zinc/55/05/58/606550558.db2.gz	PCJYIXPIXRGAFN-UHFFFAOYSA-N	-1	1	380.433	2.483	20	30		GEEDMM
N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1	ZINC000822833374	606550560	/nfs/dbraw/zinc/55/05/60/606550560.db2.gz	PCJYIXPIXRGAFN-UHFFFAOYSA-N	-1	1	380.433	2.483	20	30		GEEDMM
CC(=CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccccc1OC(F)F	ZINC000819766355	606605886	/nfs/dbraw/zinc/60/58/86/606605886.db2.gz	XKSYBNUVKMINHH-SOFGYWHQSA-N	-1	1	386.322	2.105	20	30		GEEDMM
C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000819745962	606841258	/nfs/dbraw/zinc/84/12/58/606841258.db2.gz	WVBLJRWYLSFFQZ-UHFFFAOYSA-N	-1	1	398.423	2.254	20	30		GEEDMM
C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1cccc(C#N)c1	ZINC000820437714	606892665	/nfs/dbraw/zinc/89/26/65/606892665.db2.gz	BLXPLHZZZJIWGB-VIFPVBQESA-N	-1	1	390.375	2.056	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2Cl)c(F)c1	ZINC000822833343	607123039	/nfs/dbraw/zinc/12/30/39/607123039.db2.gz	OHHBHKWXNZUDKR-UHFFFAOYSA-N	-1	1	378.776	2.332	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2ccc(CCC(F)(F)F)cc2)nc1-c1nn[nH]n1	ZINC000826382395	607781217	/nfs/dbraw/zinc/78/12/17/607781217.db2.gz	CEDUNOXQUDCASN-UHFFFAOYSA-N	-1	1	376.302	2.209	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NCc2cccnc2NC(=O)OC(C)(C)C)o1	ZINC000826323000	607783373	/nfs/dbraw/zinc/78/33/73/607783373.db2.gz	LLUFRRTXNIFTJU-UHFFFAOYSA-N	-1	1	385.388	2.351	20	30		GEEDMM
Cc1cc(C)n(N=Cc2nc(C(C)C)n3ccccc23)c(=O)c1-c1nn[n-]n1	ZINC000826265501	607885439	/nfs/dbraw/zinc/88/54/39/607885439.db2.gz	BORBFGBBGCWBNM-UHFFFAOYSA-N	-1	1	376.424	2.299	20	30		GEEDMM
C#CC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1ccccc1	ZINC000823838859	607956312	/nfs/dbraw/zinc/95/63/12/607956312.db2.gz	VXTZMGHVNSLNLL-QGZVFWFLSA-N	-1	1	390.447	2.398	20	30		GEEDMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)n1	ZINC000826356988	608337800	/nfs/dbraw/zinc/33/78/00/608337800.db2.gz	MYBYMIBENXAAFS-UHFFFAOYSA-N	-1	1	399.418	2.461	20	30		GEEDMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)n1	ZINC000826356988	608337802	/nfs/dbraw/zinc/33/78/02/608337802.db2.gz	MYBYMIBENXAAFS-UHFFFAOYSA-N	-1	1	399.418	2.461	20	30		GEEDMM
COC(=O)[C@@H](C)n1cccc1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1	ZINC000826103117	608388782	/nfs/dbraw/zinc/38/87/82/608388782.db2.gz	CTTVUHKAKXFJQF-SNVBAGLBSA-N	-1	1	386.416	2.134	20	30		GEEDMM
Cc1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c(C)cc1Br	ZINC000826260774	608530694	/nfs/dbraw/zinc/53/06/94/608530694.db2.gz	DJEHSMZGQREOJU-UHFFFAOYSA-N	-1	1	387.201	2.093	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)nc1-c1nn[nH]n1	ZINC000826382716	609147422	/nfs/dbraw/zinc/14/74/22/609147422.db2.gz	ROHAUCGNNYYKJJ-UHFFFAOYSA-N	-1	1	399.346	2.115	20	30		GEEDMM
Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC1(C#N)CCOCC1	ZINC000826340589	609157542	/nfs/dbraw/zinc/15/75/42/609157542.db2.gz	DIMMGDBLHTVSJF-UHFFFAOYSA-N	-1	1	382.380	2.036	20	30		GEEDMM
Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC1(C#N)CCOCC1	ZINC000826340589	609157543	/nfs/dbraw/zinc/15/75/43/609157543.db2.gz	DIMMGDBLHTVSJF-UHFFFAOYSA-N	-1	1	382.380	2.036	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c(Cl)c1	ZINC000826386121	609561319	/nfs/dbraw/zinc/56/13/19/609561319.db2.gz	PTSFQMMYEYRJFG-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c(Cl)c1	ZINC000826386121	609561320	/nfs/dbraw/zinc/56/13/20/609561320.db2.gz	PTSFQMMYEYRJFG-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)C[C@@H](C)C#N)c(F)c1	ZINC000451108420	650087713	/nfs/dbraw/zinc/08/77/13/650087713.db2.gz	SPBRSILOLYABTP-LBPRGKRZSA-N	-1	1	391.490	2.148	20	30		GEEDMM
C=CC(C)(C)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F	ZINC000451811820	650144454	/nfs/dbraw/zinc/14/44/54/650144454.db2.gz	OBJCFSJMQANSEV-UHFFFAOYSA-N	-1	1	378.491	2.468	20	30		GEEDMM
N#C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1cccc(Cl)c1Cl	ZINC000508393610	650479870	/nfs/dbraw/zinc/47/98/70/650479870.db2.gz	ILTCTNBBNJCMKU-LLVKDONJSA-N	-1	1	379.203	2.205	20	30		GEEDMM
C=CC[C@@H](CO)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC	ZINC000510057660	650505860	/nfs/dbraw/zinc/50/58/60/650505860.db2.gz	LVQWEBRTBZKKPJ-SECBINFHSA-N	-1	1	382.265	2.243	20	30		GEEDMM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CC#N)cc2)cc1C	ZINC000476187989	650545611	/nfs/dbraw/zinc/54/56/11/650545611.db2.gz	DPGOGMFBSHSEEA-UHFFFAOYSA-N	-1	1	380.447	2.102	20	30		GEEDMM
C[C@@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1	ZINC000485994164	650704638	/nfs/dbraw/zinc/70/46/38/650704638.db2.gz	YGGRBLIJGANBPD-AWEZNQCLSA-N	-1	1	378.475	2.357	20	30		GEEDMM
C=CCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000055621239	642775312	/nfs/dbraw/zinc/77/53/12/642775312.db2.gz	QTQSNNATVVYFFC-UHFFFAOYSA-N	-1	1	384.454	2.433	20	30		GEEDMM
C=C1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)cc2OC)CC1	ZINC000536379732	650801460	/nfs/dbraw/zinc/80/14/60/650801460.db2.gz	SLYGMIVIEKUVGM-UHFFFAOYSA-N	-1	1	388.511	2.188	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CCCC1	ZINC000545356767	650970894	/nfs/dbraw/zinc/97/08/94/650970894.db2.gz	JLPPUNSADRXTHQ-OAHLLOKOSA-N	-1	1	381.885	2.449	20	30		GEEDMM
N#Cc1cccc(N2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)n1	ZINC000546254396	650996841	/nfs/dbraw/zinc/99/68/41/650996841.db2.gz	UMKBRLBIBTXHMZ-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2O)cc1Br	ZINC000408192019	647935440	/nfs/dbraw/zinc/93/54/40/647935440.db2.gz	JTAKJQYYUZHENM-NEPJUHHUSA-N	-1	1	377.235	2.042	20	30		GEEDMM
CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)[C@H](C)C#N	ZINC000416425093	648123668	/nfs/dbraw/zinc/12/36/68/648123668.db2.gz	CAARUBMXFLTMSM-RNCFNFMXSA-N	-1	1	379.265	2.299	20	30		GEEDMM
CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H]1O	ZINC000563527971	651529810	/nfs/dbraw/zinc/52/98/10/651529810.db2.gz	IVCIKQMJDZQHFY-HIFRSBDPSA-N	-1	1	382.438	2.310	20	30		GEEDMM
O=c1nc(NN=Cc2cc(Br)ccc2OC(F)F)nc2[nH][n-]cc1-2	ZINC000731155159	651620434	/nfs/dbraw/zinc/62/04/34/651620434.db2.gz	AVVLCTAFAGVIBO-UHFFFAOYSA-N	-1	1	399.155	2.242	20	30		GEEDMM
C=CCN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H](C)COC	ZINC000617575435	651957945	/nfs/dbraw/zinc/95/79/45/651957945.db2.gz	XCRWMIBPLYRGHC-LLVKDONJSA-N	-1	1	395.308	2.321	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)cc1Br	ZINC000618958656	652040426	/nfs/dbraw/zinc/04/04/26/652040426.db2.gz	JNHNEIWOCLCSRL-UHFFFAOYSA-N	-1	1	398.213	2.360	20	30		GEEDMM
Cc1cc(C)n(-c2nncn2N=Cc2cc(O)c([O-])c(Br)c2)n1	ZINC000757569498	652518435	/nfs/dbraw/zinc/51/84/35/652518435.db2.gz	QJARYOOBMWQOKX-UHFFFAOYSA-N	-1	1	377.202	2.137	20	30		GEEDMM
[O-]c1c(O)cc(C=NNC(=S)NCCc2ccccn2)cc1Br	ZINC000757573664	652518477	/nfs/dbraw/zinc/51/84/77/652518477.db2.gz	DPCYJCZXSUMBDH-UHFFFAOYSA-N	-1	1	395.282	2.296	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccccc2OC(F)(F)F)o1	ZINC000588132264	652548567	/nfs/dbraw/zinc/54/85/67/652548567.db2.gz	BJQYFRTYUCNTQV-NSHDSACASA-N	-1	1	376.312	2.062	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-]C[C@](O)(c2ccccc2)C(F)(F)F)CCCC1	ZINC000759047613	652560920	/nfs/dbraw/zinc/56/09/20/652560920.db2.gz	HHKIKSAORJNCLG-HNNXBMFYSA-N	-1	1	376.400	2.440	20	30		GEEDMM
C[C@@]1(C#N)CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1	ZINC000589487247	652567774	/nfs/dbraw/zinc/56/77/74/652567774.db2.gz	IWPOVYWKRBSRSE-HNNXBMFYSA-N	-1	1	390.292	2.424	20	30		GEEDMM
Cc1ccc([C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H](C)S(C)(=O)=O)cc1	ZINC000593591370	652627413	/nfs/dbraw/zinc/62/74/13/652627413.db2.gz	VBSUGNRKIYYQIG-MLGOLLRUSA-N	-1	1	398.531	2.381	20	30		GEEDMM
COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@](C)(C#N)CSC)c1F	ZINC000594576589	652669521	/nfs/dbraw/zinc/66/95/21/652669521.db2.gz	UKXQLRQVCURHLK-ZDUSSCGKSA-N	-1	1	380.850	2.189	20	30		GEEDMM
N#Cc1cccnc1NCCNC(=O)NCc1cccc(Br)c1[O-]	ZINC000765476918	652840713	/nfs/dbraw/zinc/84/07/13/652840713.db2.gz	SSBDURMZJINBCN-UHFFFAOYSA-N	-1	1	390.241	2.333	20	30		GEEDMM
N#Cc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c(F)c1	ZINC000765927561	652858008	/nfs/dbraw/zinc/85/80/08/652858008.db2.gz	TWSWFQZSOUWBFO-UHFFFAOYSA-N	-1	1	392.184	2.420	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCn3nccc32)cc1Br	ZINC000601538261	653108776	/nfs/dbraw/zinc/10/87/76/653108776.db2.gz	AWHOFJLONKESII-GFCCVEGCSA-N	-1	1	399.245	2.470	20	30		GEEDMM
CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc(Br)cc(C)c1O	ZINC000777436541	653398249	/nfs/dbraw/zinc/39/82/49/653398249.db2.gz	GMPWBRHMNNELPK-UHFFFAOYSA-N	-1	1	377.202	2.045	20	30		GEEDMM
C#CC[C@@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC	ZINC000859429670	653464188	/nfs/dbraw/zinc/46/41/88/653464188.db2.gz	HCIHYOPOAJGPLK-JTQLQIEISA-N	-1	1	380.249	2.097	20	30		GEEDMM
O=S1(=O)[N-]C(=NN=C2COc3ccc(Br)cc32)c2ccccc21	ZINC000814798487	653639439	/nfs/dbraw/zinc/63/94/39/653639439.db2.gz	HBOLLVWPVQEIRT-UHFFFAOYSA-N	-1	1	392.234	2.284	20	30		GEEDMM
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2COc3c2cccc3Cl)cc1	ZINC000814822168	653639850	/nfs/dbraw/zinc/63/98/50/653639850.db2.gz	IYULJCIGVVEIIN-UHFFFAOYSA-N	-1	1	381.797	2.464	20	30		GEEDMM
C=CCCCS(=O)(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F	ZINC000817150703	653704537	/nfs/dbraw/zinc/70/45/37/653704537.db2.gz	RNYWABWGJRIBPM-ZDUSSCGKSA-N	-1	1	376.400	2.392	20	30		GEEDMM
O=S(=O)(NN=c1c(F)c(F)[n-]c(F)c1F)c1cnccc1C(F)(F)F	ZINC000785482134	653709817	/nfs/dbraw/zinc/70/98/17/653709817.db2.gz	REDCWBXZHNLCMR-UHFFFAOYSA-N	-1	1	390.240	2.357	20	30		GEEDMM
C[S@](=O)(=NS(=O)(=O)[N-][C@@H]1Cc2ccc(C#N)cc2C1)C1CCCCC1	ZINC000882504501	653785453	/nfs/dbraw/zinc/78/54/53/653785453.db2.gz	YMPIEOSSHZJLTR-VOIUYBSRSA-N	-1	1	381.523	2.290	20	30		GEEDMM
O=C1[C@@H](NCc2cc(Br)c([O-])c(Br)c2)CCCN1O	ZINC000895159343	653821118	/nfs/dbraw/zinc/82/11/18/653821118.db2.gz	UBGRLMUJTFMYCX-JTQLQIEISA-N	-1	1	394.063	2.387	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccc(Br)cc1	ZINC000867317392	653914994	/nfs/dbraw/zinc/91/49/94/653914994.db2.gz	NLMOSEUQGQQCHL-CYBMUJFWSA-N	-1	1	391.312	2.220	20	30		GEEDMM
C=C(Cl)C[C@H]([N-]S(=O)(=O)c1ncccc1Br)C(=O)OCC	ZINC000867589527	653957614	/nfs/dbraw/zinc/95/76/14/653957614.db2.gz	PVXDAISPQRZTGC-JTQLQIEISA-N	-1	1	397.678	2.197	20	30		GEEDMM
CCOC(=O)CS[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)C(F)(F)F	ZINC000828510678	654039178	/nfs/dbraw/zinc/03/91/78/654039178.db2.gz	RFSWNSMFTYIAIA-GFCCVEGCSA-N	-1	1	376.356	2.221	20	30		GEEDMM
CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)c1	ZINC000901771842	654148103	/nfs/dbraw/zinc/14/81/03/654148103.db2.gz	MSEYVWVAXZQXAJ-NSHDSACASA-N	-1	1	383.779	2.131	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C1CCOCC1	ZINC000851829762	654185629	/nfs/dbraw/zinc/18/56/29/654185629.db2.gz	QKIDBXKUKKVFMV-CYBMUJFWSA-N	-1	1	394.237	2.434	20	30		GEEDMM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000832245839	654252483	/nfs/dbraw/zinc/25/24/83/654252483.db2.gz	UXIYZOUBNOMDAD-KOLCDFICSA-N	-1	1	395.206	2.118	20	30		GEEDMM
C=CCCCN(CC)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C)ccn1	ZINC000903691625	654279367	/nfs/dbraw/zinc/27/93/67/654279367.db2.gz	BNRDKZHAPLIKAR-UHFFFAOYSA-N	-1	1	389.543	2.140	20	30		GEEDMM
C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C	ZINC000926608966	654577889	/nfs/dbraw/zinc/57/78/89/654577889.db2.gz	OGLPBAQESIXJRT-UHFFFAOYSA-N	-1	1	384.885	2.065	20	30		GEEDMM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F	ZINC000916098725	654888041	/nfs/dbraw/zinc/88/80/41/654888041.db2.gz	OJAWYFFMLNWDAJ-ZJUUUORDSA-N	-1	1	380.235	2.219	20	30		GEEDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)o1	ZINC000066394657	531874444	/nfs/dbraw/zinc/87/44/44/531874444.db2.gz	MDXQLVLCJPKTQS-SNVBAGLBSA-N	-1	1	388.232	2.489	20	30		GEEDMM
N#C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Br)c1	ZINC000185898682	532339076	/nfs/dbraw/zinc/33/90/76/532339076.db2.gz	ZKRFHNTZGJPRCW-NSHDSACASA-N	-1	1	377.154	2.453	20	30		GEEDMM
COC(=O)CCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295354541	532437392	/nfs/dbraw/zinc/43/73/92/532437392.db2.gz	IVGMUKKHXBXVJM-UHFFFAOYSA-N	-1	1	393.234	2.081	20	30		GEEDMM
C[C@H](CCO)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000296269658	532509291	/nfs/dbraw/zinc/50/92/91/532509291.db2.gz	QISVWIBRYUUIGK-VIFPVBQESA-N	-1	1	379.251	2.147	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCSC2)cc1Br	ZINC000296365221	532517439	/nfs/dbraw/zinc/51/74/39/532517439.db2.gz	SITLORZQPXLWLZ-MRVPVSSYSA-N	-1	1	379.276	2.491	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCNc2ccccn2)cc1Br	ZINC000564262829	532520629	/nfs/dbraw/zinc/52/06/29/532520629.db2.gz	YNBYOYQDQKZYSF-UHFFFAOYSA-N	-1	1	399.245	2.245	20	30		GEEDMM
CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1	ZINC000595353964	532559461	/nfs/dbraw/zinc/55/94/61/532559461.db2.gz	KPZJYSWKMFZOOM-LLVKDONJSA-N	-1	1	390.278	2.222	20	30		GEEDMM
CCSc1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)ccn1	ZINC000494294074	532715259	/nfs/dbraw/zinc/71/52/59/532715259.db2.gz	VUDHVODLMGYTOO-UHFFFAOYSA-N	-1	1	378.435	2.452	20	30		GEEDMM
CCC(O)(CC)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451223952	532762327	/nfs/dbraw/zinc/76/23/27/532762327.db2.gz	BMQGODRSHMYCAF-UHFFFAOYSA-N	-1	1	379.251	2.289	20	30		GEEDMM
CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(C)(C)O	ZINC000451606689	532766458	/nfs/dbraw/zinc/76/64/58/532766458.db2.gz	OGYFTFHUTBVYGZ-LBPRGKRZSA-N	-1	1	379.251	2.288	20	30		GEEDMM
C[C@@H](CC#N)[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl	ZINC000271237059	532806008	/nfs/dbraw/zinc/80/60/08/532806008.db2.gz	WYGQSXVXKHWFTM-YFKPBYRVSA-N	-1	1	394.634	2.117	20	30		GEEDMM
CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000736817434	598874463	/nfs/dbraw/zinc/87/44/63/598874463.db2.gz	YYQMDTSJMXYNHW-UHFFFAOYSA-N	-1	1	388.840	2.212	20	30		GEEDMM
CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1	ZINC000736817434	598874466	/nfs/dbraw/zinc/87/44/66/598874466.db2.gz	YYQMDTSJMXYNHW-UHFFFAOYSA-N	-1	1	388.840	2.212	20	30		GEEDMM
Cc1nc(C)c(-c2nn[n-]n2)c(SCc2nnc(-c3ccc(C#N)cc3)o2)n1	ZINC000737471095	599162317	/nfs/dbraw/zinc/16/23/17/599162317.db2.gz	NXKNIQZBGZBKDV-UHFFFAOYSA-N	-1	1	391.420	2.488	20	30		GEEDMM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1	ZINC000819855445	598226066	/nfs/dbraw/zinc/22/60/66/598226066.db2.gz	CHSXCDHQXQRZDU-HXUWFJFHSA-N	-1	1	386.452	2.444	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2csc(-c3c(F)cccc3F)n2)nc1-c1nn[nH]n1	ZINC000737704597	598300866	/nfs/dbraw/zinc/30/08/66/598300866.db2.gz	IBQIVEPWHRNWNJ-UHFFFAOYSA-N	-1	1	399.346	2.115	20	30		GEEDMM
C#CCOc1cccc(OC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1	ZINC000735388192	598421873	/nfs/dbraw/zinc/42/18/73/598421873.db2.gz	SVEKIJZAQLBCFX-UHFFFAOYSA-N	-1	1	393.403	2.134	20	30		GEEDMM
N#Cc1ccc(N2CCC(Nc3snc(Cl)c3-c3nnn[n-]3)CC2)nc1	ZINC000737717583	598459261	/nfs/dbraw/zinc/45/92/61/598459261.db2.gz	GNAGFIDRCJXQMF-UHFFFAOYSA-N	-1	1	387.860	2.324	20	30		GEEDMM
N#Cc1ccc(N2CCC(Nc3snc(Cl)c3-c3nn[n-]n3)CC2)nc1	ZINC000737717583	598459262	/nfs/dbraw/zinc/45/92/62/598459262.db2.gz	GNAGFIDRCJXQMF-UHFFFAOYSA-N	-1	1	387.860	2.324	20	30		GEEDMM
N#Cc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1	ZINC000737722919	598689073	/nfs/dbraw/zinc/68/90/73/598689073.db2.gz	ZHIIGAHGODNCHZ-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
C=CCN(CC=C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21	ZINC000735418863	598720561	/nfs/dbraw/zinc/72/05/61/598720561.db2.gz	KRAIIKZRWGUJIO-UHFFFAOYSA-N	-1	1	384.827	2.036	20	30		GEEDMM
N#Cc1ccc(CN2CCCN(C(=O)NC3CCC(C(=O)[O-])CC3)CC2)cc1	ZINC000739119253	600031152	/nfs/dbraw/zinc/03/11/52/600031152.db2.gz	XDODKODTBRYWLJ-UHFFFAOYSA-N	-1	1	384.480	2.419	20	30		GEEDMM
CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC(CO)c2ccc(F)cc2F)o1	ZINC000824135999	607530092	/nfs/dbraw/zinc/53/00/92/607530092.db2.gz	LMPGJGKSIUSLSU-UHFFFAOYSA-N	-1	1	377.355	2.239	20	30		GEEDMM
C=CCn1c(CCN2CCCCC2)nn(CN2CC[C@](C)(C(=O)[O-])C2)c1=S	ZINC000825711279	601890561	/nfs/dbraw/zinc/89/05/61/601890561.db2.gz	XFQAAHUOPXQAAR-IBGZPJMESA-N	-1	1	393.557	2.383	20	30		GEEDMM
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c1C#N	ZINC000832849412	601926692	/nfs/dbraw/zinc/92/66/92/601926692.db2.gz	GHJBNXBOWXZTGQ-HXUWFJFHSA-N	-1	1	384.436	2.353	20	30		GEEDMM
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](CN(C)C(=O)[O-])C1	ZINC000738611112	602529736	/nfs/dbraw/zinc/52/97/36/602529736.db2.gz	BVWWHZJBIXSRJY-GJZGRUSLSA-N	-1	1	376.432	2.393	20	30		GEEDMM
C=CCN(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000823919276	607574926	/nfs/dbraw/zinc/57/49/26/607574926.db2.gz	BGXLEBJKLSMJPU-UHFFFAOYSA-N	-1	1	386.393	2.156	20	30		GEEDMM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)[O-]	ZINC000831114724	604427571	/nfs/dbraw/zinc/42/75/71/604427571.db2.gz	SBPJJEGVYHXWGG-UHFFFAOYSA-N	-1	1	388.361	2.308	20	30		GEEDMM
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1	ZINC000833635858	605052650	/nfs/dbraw/zinc/05/26/50/605052650.db2.gz	BGZBBYMTXOFRSJ-NVXWUHKLSA-N	-1	1	388.468	2.058	20	30		GEEDMM
C=CCOc1ccc(/C=C/C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1OC	ZINC000833377946	605111078	/nfs/dbraw/zinc/11/10/78/605111078.db2.gz	RSQPCQSZTVIKMJ-BVBGJJFLSA-N	-1	1	388.464	2.281	20	30		GEEDMM
N#Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)s1	ZINC000833971794	605686478	/nfs/dbraw/zinc/68/64/78/605686478.db2.gz	NUHHTVZWRLYNMZ-BBRMVZONSA-N	-1	1	376.482	2.090	20	30		GEEDMM
Cc1occc1-c1nnc(SCC(=O)[O-])n1[NH+]=CC(C)(C)N(C)C(=O)[O-]	ZINC000833938633	605698758	/nfs/dbraw/zinc/69/87/58/605698758.db2.gz	LDYGGBIEBLKVRN-UHFFFAOYSA-N	-1	1	381.414	2.246	20	30		GEEDMM
COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-]	ZINC000821702859	606195040	/nfs/dbraw/zinc/19/50/40/606195040.db2.gz	DFUXXSMZQOBVNR-UHFFFAOYSA-N	-1	1	394.391	2.250	20	30		GEEDMM
N#Cc1ccccc1N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1	ZINC000822842656	606527279	/nfs/dbraw/zinc/52/72/79/606527279.db2.gz	SFCXIQKRYTVXCA-UHFFFAOYSA-N	-1	1	379.449	2.152	20	30		GEEDMM
N#Cc1ccccc1N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1	ZINC000822842656	606527281	/nfs/dbraw/zinc/52/72/81/606527281.db2.gz	SFCXIQKRYTVXCA-UHFFFAOYSA-N	-1	1	379.449	2.152	20	30		GEEDMM
Cc1cc(C)n(N=Cc2ccc(Br)c(F)c2)c(=O)c1-c1nn[n-]n1	ZINC000822199189	606836543	/nfs/dbraw/zinc/83/65/43/606836543.db2.gz	ZPUJLXYZFCGKRR-UHFFFAOYSA-N	-1	1	391.204	2.429	20	30		GEEDMM
N#Cc1ccc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)CC2	ZINC000826386191	607933584	/nfs/dbraw/zinc/93/35/84/607933584.db2.gz	SWZAIXYOWCBEFX-UHFFFAOYSA-N	-1	1	386.824	2.143	20	30		GEEDMM
N#Cc1ccc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)CC2	ZINC000826386191	607933585	/nfs/dbraw/zinc/93/35/85/607933585.db2.gz	SWZAIXYOWCBEFX-UHFFFAOYSA-N	-1	1	386.824	2.143	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)CN(Cc2ccccc2)c2ccccc2)nc1-c1nn[nH]n1	ZINC000826382794	607961151	/nfs/dbraw/zinc/96/11/51/607961151.db2.gz	VJBUXIDKKQRVJF-UHFFFAOYSA-N	-1	1	399.418	2.107	20	30		GEEDMM
C#CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccccc1	ZINC000823838587	607962064	/nfs/dbraw/zinc/96/20/64/607962064.db2.gz	RSGNDRIFPLYSMH-AWEZNQCLSA-N	-1	1	380.433	2.184	20	30		GEEDMM
C#CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccccc1	ZINC000823838589	607962185	/nfs/dbraw/zinc/96/21/85/607962185.db2.gz	RSGNDRIFPLYSMH-CQSZACIVSA-N	-1	1	380.433	2.184	20	30		GEEDMM
C=CCCC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21	ZINC000823888799	608096780	/nfs/dbraw/zinc/09/67/80/608096780.db2.gz	XEHBNMNLMHGGNE-UHFFFAOYSA-N	-1	1	388.225	2.479	20	30		GEEDMM
Cc1ccc(Cc2nc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)cs2)cc1	ZINC000826288738	608530554	/nfs/dbraw/zinc/53/05/54/608530554.db2.gz	UUOANESLFDYSKD-UHFFFAOYSA-N	-1	1	391.420	2.070	20	30		GEEDMM
CSc1[nH]c(=O)c(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1-c1nn[n-]n1	ZINC000826229991	609263741	/nfs/dbraw/zinc/26/37/41/609263741.db2.gz	ZHWNBPMKFUHNCU-VIFPVBQESA-N	-1	1	397.420	2.232	20	30		GEEDMM
C[C@@H](C#N)CN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1	ZINC000824033921	609357091	/nfs/dbraw/zinc/35/70/91/609357091.db2.gz	CTGCUQNSDQKESX-NSHDSACASA-N	-1	1	395.402	2.347	20	30		GEEDMM
CC1(C#N)CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1	ZINC000824779918	609366022	/nfs/dbraw/zinc/36/60/22/609366022.db2.gz	XZEWXWHNLAIREB-UHFFFAOYSA-N	-1	1	395.402	2.349	20	30		GEEDMM
C[C@@H](Nc1nccnc1C#N)c1ccc(CNc2nccnc2-c2nnn[n-]2)cc1	ZINC000824671339	609593730	/nfs/dbraw/zinc/59/37/30/609593730.db2.gz	XSNOCNBFHJQDOO-GFCCVEGCSA-N	-1	1	399.422	2.104	20	30		GEEDMM
C[C@@H](Nc1nccnc1C#N)c1ccc(CNc2nccnc2-c2nn[n-]n2)cc1	ZINC000824671339	609593731	/nfs/dbraw/zinc/59/37/31/609593731.db2.gz	XSNOCNBFHJQDOO-GFCCVEGCSA-N	-1	1	399.422	2.104	20	30		GEEDMM
CC[C@@H](O)CCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451239806	650097427	/nfs/dbraw/zinc/09/74/27/650097427.db2.gz	GSAVSOHNQBTCCQ-SNVBAGLBSA-N	-1	1	379.251	2.289	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H](O)C2)cc1Br	ZINC000451242271	650097717	/nfs/dbraw/zinc/09/77/17/650097717.db2.gz	MGJZGDRVXXOSAW-ONGXEEELSA-N	-1	1	391.262	2.289	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCOCC2CC2)cc1Br	ZINC000451178658	650093785	/nfs/dbraw/zinc/09/37/85/650093785.db2.gz	NZEJFLKWWUKOJU-UHFFFAOYSA-N	-1	1	377.235	2.165	20	30		GEEDMM
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000509169167	650488489	/nfs/dbraw/zinc/48/84/89/650488489.db2.gz	IBYNDMPQBJKTLZ-JTQLQIEISA-N	-1	1	379.825	2.223	20	30		GEEDMM
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000509179069	650488998	/nfs/dbraw/zinc/48/89/98/650488998.db2.gz	PQVWHZQQTNQNGS-JTQLQIEISA-N	-1	1	379.825	2.223	20	30		GEEDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)o1	ZINC000068455298	642999336	/nfs/dbraw/zinc/99/93/36/642999336.db2.gz	JCFQOJKCIWSPFL-LLVKDONJSA-N	-1	1	388.232	2.489	20	30		GEEDMM
C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2sccc2Br)c1	ZINC000119855984	643575412	/nfs/dbraw/zinc/57/54/12/643575412.db2.gz	WPPWOTYZZOADNK-UHFFFAOYSA-N	-1	1	399.291	2.409	20	30		GEEDMM
CC#CC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000543785621	650924134	/nfs/dbraw/zinc/92/41/34/650924134.db2.gz	NTMACYYKULRECS-VIFPVBQESA-N	-1	1	381.193	2.047	20	30		GEEDMM
CN1CCC/C1=N/S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC2CC2)cc1	ZINC000271266850	646187170	/nfs/dbraw/zinc/18/71/70/646187170.db2.gz	MMIJWZHBZRWCCM-VLGSPTGOSA-N	-1	1	385.511	2.041	20	30		GEEDMM
Cc1nc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c(Br)n1C	ZINC000314743431	647284497	/nfs/dbraw/zinc/28/44/97/647284497.db2.gz	HTRAJFDIDNWNLE-NSHDSACASA-N	-1	1	375.292	2.242	20	30		GEEDMM
N#Cc1cc(Br)cc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCOC2)c1	ZINC000330568524	647345437	/nfs/dbraw/zinc/34/54/37/647345437.db2.gz	BSGDMLFMYGDYKV-LLVKDONJSA-N	-1	1	399.188	2.320	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCCO2)cc1Br	ZINC000331320254	647380490	/nfs/dbraw/zinc/38/04/90/647380490.db2.gz	KLBLAJCGGZUJRM-JTQLQIEISA-N	-1	1	377.235	2.307	20	30		GEEDMM
C[C@@H]([N-]S(=O)(=O)[C@@H](C)C#N)c1nc(-c2ccc(Br)cc2)no1	ZINC000416425519	648124271	/nfs/dbraw/zinc/12/42/71/648124271.db2.gz	FCZFLFBHAOWKLS-DTWKUNHWSA-N	-1	1	385.243	2.392	20	30		GEEDMM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(OC)ccc1I	ZINC000416934007	648217289	/nfs/dbraw/zinc/21/72/89/648217289.db2.gz	CIHUBDCSKHFZTI-VIFPVBQESA-N	-1	1	380.207	2.344	20	30		GEEDMM
N#Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)ccc1F	ZINC000442363082	648842624	/nfs/dbraw/zinc/84/26/24/648842624.db2.gz	XQSNEQDOMAKRQY-UHFFFAOYSA-N	-1	1	398.213	2.360	20	30		GEEDMM
CC(C)N(CCC#N)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000569124328	651702178	/nfs/dbraw/zinc/70/21/78/651702178.db2.gz	OGHMCSBNPHJYGA-UHFFFAOYSA-N	-1	1	378.281	2.422	20	30		GEEDMM
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc(Br)cn2)cc1	ZINC000733747087	651722587	/nfs/dbraw/zinc/72/25/87/651722587.db2.gz	JFLKRTSRWXCPEO-UHFFFAOYSA-N	-1	1	399.226	2.206	20	30		GEEDMM
C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)o1	ZINC000735342981	651779632	/nfs/dbraw/zinc/77/96/32/651779632.db2.gz	JGBHGNWOQIPXEZ-UHFFFAOYSA-N	-1	1	384.797	2.100	20	30		GEEDMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCC(O)(C(F)(F)F)CC1	ZINC000748253124	652196660	/nfs/dbraw/zinc/19/66/60/652196660.db2.gz	KWDJPIJLMRDCHB-UHFFFAOYSA-N	-1	1	381.332	2.097	20	30		GEEDMM
CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F	ZINC000751595617	652360828	/nfs/dbraw/zinc/36/08/28/652360828.db2.gz	DUFGWQZPAITPAL-QMMMGPOBSA-N	-1	1	393.234	2.345	20	30		GEEDMM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(C#N)ccc2Br)co1	ZINC000755551923	652468905	/nfs/dbraw/zinc/46/89/05/652468905.db2.gz	YYIGFRPVSKAGJP-UHFFFAOYSA-N	-1	1	399.222	2.179	20	30		GEEDMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cnc([C@H]2CCCO2)s1	ZINC000755762121	652475773	/nfs/dbraw/zinc/47/57/73/652475773.db2.gz	MLNKTGJTDJAPAR-GFCCVEGCSA-N	-1	1	382.423	2.215	20	30		GEEDMM
CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000584477022	652522618	/nfs/dbraw/zinc/52/26/18/652522618.db2.gz	DKBUHYZROCCFBZ-OAHLLOKOSA-N	-1	1	384.885	2.427	20	30		GEEDMM
CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000584477021	652522665	/nfs/dbraw/zinc/52/26/65/652522665.db2.gz	DKBUHYZROCCFBZ-HNNXBMFYSA-N	-1	1	384.885	2.427	20	30		GEEDMM
N#CC[C@]1(O)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1	ZINC000592852174	652605415	/nfs/dbraw/zinc/60/54/15/652605415.db2.gz	IWNFPCFVJJEOND-INIZCTEOSA-N	-1	1	376.210	2.194	20	30		GEEDMM
NS(=O)(=O)c1ccc(N=NCc2cc(Cl)cc(F)c2[O-])c([N+](=O)[O-])c1	ZINC000768358571	653111234	/nfs/dbraw/zinc/11/12/34/653111234.db2.gz	XYTYFFJWLMIWMZ-UHFFFAOYSA-N	-1	1	388.764	2.186	20	30		GEEDMM
O=S1(=O)[N-]C(=NN=Cc2cc(O)ccc2Br)c2ccccc21	ZINC000769797229	653178089	/nfs/dbraw/zinc/17/80/89/653178089.db2.gz	PWCGBSVNPVPFEC-UHFFFAOYSA-N	-1	1	380.223	2.227	20	30		GEEDMM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F	ZINC000859424405	653462315	/nfs/dbraw/zinc/46/23/15/653462315.db2.gz	QXJBSQCEUMFITJ-NSHDSACASA-N	-1	1	391.848	2.363	20	30		GEEDMM
C#CC[C@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC	ZINC000859429673	653464028	/nfs/dbraw/zinc/46/40/28/653464028.db2.gz	HCIHYOPOAJGPLK-SNVBAGLBSA-N	-1	1	380.249	2.097	20	30		GEEDMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cc(Cl)cc2c1OCC2	ZINC000782908065	653672073	/nfs/dbraw/zinc/67/20/73/653672073.db2.gz	ZLJANYDDMXMSBT-UHFFFAOYSA-N	-1	1	381.797	2.496	20	30		GEEDMM
C[C@@H]1CN(C(=O)c2cc(I)ccc2[O-])C[C@H](C)N1CC#N	ZINC000880464672	653706483	/nfs/dbraw/zinc/70/64/83/653706483.db2.gz	VPOZQJUIOGOZEM-PHIMTYICSA-N	-1	1	399.232	2.055	20	30		GEEDMM
COc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnc1Br	ZINC000788351413	653754757	/nfs/dbraw/zinc/75/47/57/653754757.db2.gz	YRDHYGKGOCKFAH-SNVBAGLBSA-N	-1	1	375.182	2.209	20	30		GEEDMM
CC(C)(C)OC(=O)NCC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(F)F	ZINC000845945600	653871957	/nfs/dbraw/zinc/87/19/57/653871957.db2.gz	ZPLUWOCMGDKGRX-SECBINFHSA-N	-1	1	395.453	2.447	20	30		GEEDMM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1	ZINC000793363443	653876698	/nfs/dbraw/zinc/87/66/98/653876698.db2.gz	KTUSUKZGGUWURC-UHFFFAOYSA-N	-1	1	383.426	2.260	20	30		GEEDMM
Cc1cc(=O)[n-]c(NN=C(c2ccc(Cl)c(S(N)(=O)=O)c2)C2CC2)n1	ZINC000794446660	653909041	/nfs/dbraw/zinc/90/90/41/653909041.db2.gz	BOEXSBCHCUPQQL-UHFFFAOYSA-N	-1	1	381.845	2.018	20	30		GEEDMM
CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Br)cn1	ZINC000794492062	653909667	/nfs/dbraw/zinc/90/96/67/653909667.db2.gz	BNBAMUFWZNPJFN-UHFFFAOYSA-N	-1	1	379.239	2.307	20	30		GEEDMM
N#CCC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1	ZINC000795973171	653980686	/nfs/dbraw/zinc/98/06/86/653980686.db2.gz	UWSBWPXTPDGPIE-UHFFFAOYSA-N	-1	1	392.206	2.469	20	30		GEEDMM
CCOC(=O)CS[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)C(F)(F)F	ZINC000828509422	654038692	/nfs/dbraw/zinc/03/86/92/654038692.db2.gz	JOMKDUOFQNEIBY-GFCCVEGCSA-N	-1	1	376.356	2.221	20	30		GEEDMM
Cc1nc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c(Br)n1C	ZINC000849474198	654045196	/nfs/dbraw/zinc/04/51/96/654045196.db2.gz	YNZWTYOZGODVLC-UHFFFAOYSA-N	-1	1	375.292	2.243	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CCOCC1	ZINC000851826957	654184762	/nfs/dbraw/zinc/18/47/62/654184762.db2.gz	CRHLVDPTURPLEJ-GFCCVEGCSA-N	-1	1	376.793	2.094	20	30		GEEDMM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F	ZINC000903122661	654218017	/nfs/dbraw/zinc/21/80/17/654218017.db2.gz	CHHWXPXZQFPIPB-ZDUSSCGKSA-N	-1	1	395.250	2.194	20	30		GEEDMM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)cc1CS(C)(=O)=O	ZINC000178037251	532190832	/nfs/dbraw/zinc/19/08/32/532190832.db2.gz	SQRBPJKROBHJSE-UHFFFAOYSA-N	-1	1	382.438	2.351	20	30		GEEDMM
Cn1ncc2c1[n-]cc(C(=O)N[C@H](C#N)c1cccc(Br)c1)c2=O	ZINC000181889303	532307495	/nfs/dbraw/zinc/30/74/95/532307495.db2.gz	QNSBMZWDHUKDFX-CYBMUJFWSA-N	-1	1	386.209	2.431	20	30		GEEDMM
N#Cc1ccc(C(=O)NC[C@@H](O)COc2ccccc2Br)cc1[O-]	ZINC000188855894	532349876	/nfs/dbraw/zinc/34/98/76/532349876.db2.gz	VSGIJCNASNWHHA-CYBMUJFWSA-N	-1	1	391.221	2.196	20	30		GEEDMM
CC(C)(CO)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295461665	532448588	/nfs/dbraw/zinc/44/85/88/532448588.db2.gz	ZTUNXNHUBUHKKN-UHFFFAOYSA-N	-1	1	379.251	2.147	20	30		GEEDMM
COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c(Br)o1	ZINC000295843354	532480697	/nfs/dbraw/zinc/48/06/97/532480697.db2.gz	WPQMDNUNPGWLCS-IUCAKERBSA-N	-1	1	391.243	2.189	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CC2=CCCOC2)cc1Br	ZINC000295852524	532482309	/nfs/dbraw/zinc/48/23/09/532482309.db2.gz	DQXYMYAXXZVYJM-UHFFFAOYSA-N	-1	1	375.219	2.085	20	30		GEEDMM
C[C@H](CCCCO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295878295	532483629	/nfs/dbraw/zinc/48/36/29/532483629.db2.gz	ZLWYREFIBXHDAJ-SECBINFHSA-N	-1	1	379.251	2.289	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C23CCC3)cc1Br	ZINC000594866164	532538177	/nfs/dbraw/zinc/53/81/77/532538177.db2.gz	ZNKWBDSKKOELKL-CHWSQXEVSA-N	-1	1	389.246	2.042	20	30		GEEDMM
CN(C)c1nc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc(=O)[n-]1	ZINC000434067988	532587780	/nfs/dbraw/zinc/58/77/80/532587780.db2.gz	LCUAEDOJKCNDCY-LBPRGKRZSA-N	-1	1	376.214	2.005	20	30		GEEDMM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)c1	ZINC000438758317	532676618	/nfs/dbraw/zinc/67/66/18/532676618.db2.gz	NMPFPRKQNQOLJI-XMMPIXPASA-N	-1	1	378.475	2.141	20	30		GEEDMM
CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C1CC1	ZINC000451587643	532765799	/nfs/dbraw/zinc/76/57/99/532765799.db2.gz	GCAVBSQUUBCUNU-LBPRGKRZSA-N	-1	1	377.235	2.163	20	30		GEEDMM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC	ZINC000452033197	532771538	/nfs/dbraw/zinc/77/15/38/532771538.db2.gz	YWLPFLMIAIRCBV-JTQLQIEISA-N	-1	1	382.265	2.385	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3Cl)C2=O)o1	ZINC000287685768	532806252	/nfs/dbraw/zinc/80/62/52/532806252.db2.gz	FAMVKUSZJRSBJU-CYBMUJFWSA-N	-1	1	379.825	2.279	20	30		GEEDMM
CC1(C#N)CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1	ZINC000290347368	532878885	/nfs/dbraw/zinc/87/88/85/532878885.db2.gz	HGNGVNJLRVQZMV-UHFFFAOYSA-N	-1	1	390.292	2.424	20	30		GEEDMM
C=CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1	ZINC000291926407	532910707	/nfs/dbraw/zinc/91/07/07/532910707.db2.gz	VQFQNCHVSKGQMB-VLGSPTGOSA-N	-1	1	385.511	2.207	20	30		GEEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CC/C=C/c1ccc(Br)cc1	ZINC000737705392	599221125	/nfs/dbraw/zinc/22/11/25/599221125.db2.gz	OQOGJHXUSGCPBQ-HNQUOIGGSA-N	-1	1	385.229	2.383	20	30		GEEDMM
CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820354219	598225930	/nfs/dbraw/zinc/22/59/30/598225930.db2.gz	NFERBNKMVXCWIS-JLTOFOAXSA-N	-1	1	390.459	2.149	20	30		GEEDMM
Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(S[C@@H](C)C(=O)N(C)CCC#N)n1	ZINC000737247154	598296054	/nfs/dbraw/zinc/29/60/54/598296054.db2.gz	ZPTWIICUULMHGI-VIFPVBQESA-N	-1	1	399.402	2.442	20	30		GEEDMM
C#Cc1cccc(NC(=S)NNc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c1	ZINC000735391961	598323002	/nfs/dbraw/zinc/32/30/02/598323002.db2.gz	YWTBTVPJOZERQI-UHFFFAOYSA-N	-1	1	382.453	2.447	20	30		GEEDMM
CCCC(C#N)(CCC)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C	ZINC000736417787	598383072	/nfs/dbraw/zinc/38/30/72/598383072.db2.gz	WFACYZBKZHCSFX-UHFFFAOYSA-N	-1	1	385.472	2.496	20	30		GEEDMM
C#CCCCOC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000735374451	598412089	/nfs/dbraw/zinc/41/20/89/598412089.db2.gz	CYNNESSVYYOQDW-UHFFFAOYSA-N	-1	1	396.407	2.288	20	30		GEEDMM
CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2nccn2CC(F)(F)F)o1	ZINC000735656055	598496409	/nfs/dbraw/zinc/49/64/09/598496409.db2.gz	HNENIOUZWQKFKP-UHFFFAOYSA-N	-1	1	383.338	2.357	20	30		GEEDMM
COc1ccc(OC(F)F)c(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)c1	ZINC000737110102	598788973	/nfs/dbraw/zinc/78/89/73/598788973.db2.gz	XLJAJEZMEUVZEA-UHFFFAOYSA-N	-1	1	390.350	2.137	20	30		GEEDMM
Cc1cc(C)cc(OCC2N=NC(=S)N2N=Cc2ccc(-c3nnn[n-]3)o2)c1	ZINC000822197628	599334965	/nfs/dbraw/zinc/33/49/65/599334965.db2.gz	ITALLDZGGXQAQU-UHFFFAOYSA-N	-1	1	396.436	2.418	20	30		GEEDMM
Cc1cc(C)cc(OCC2N=NC(=S)N2N=Cc2ccc(-c3nn[n-]n3)o2)c1	ZINC000822197628	599334967	/nfs/dbraw/zinc/33/49/67/599334967.db2.gz	ITALLDZGGXQAQU-UHFFFAOYSA-N	-1	1	396.436	2.418	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NCc2sc(N3CCCC3)nc2Cl)o1	ZINC000737467762	599368054	/nfs/dbraw/zinc/36/80/54/599368054.db2.gz	SLZFUMZVHNJBSJ-UHFFFAOYSA-N	-1	1	379.837	2.319	20	30		GEEDMM
CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1-c1nn[n-]n1	ZINC000821971097	599553193	/nfs/dbraw/zinc/55/31/93/599553193.db2.gz	XOYDDBMHYJFUFN-VIFPVBQESA-N	-1	1	381.421	2.052	20	30		GEEDMM
Cc1oc(NC(=O)COC(=O)c2ccc(C#N)cc2C)c(-c2nn[n-]n2)c1C	ZINC000826257166	607388927	/nfs/dbraw/zinc/38/89/27/607388927.db2.gz	QMGKLYCPZVCQLB-UHFFFAOYSA-N	-1	1	380.364	2.052	20	30		GEEDMM
C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000736205327	600103409	/nfs/dbraw/zinc/10/34/09/600103409.db2.gz	NQSRVAPLSIPWNB-OAHLLOKOSA-N	-1	1	385.464	2.113	20	30		GEEDMM
O=C([O-])[C@H]1CC12CCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC2	ZINC000739278517	600296398	/nfs/dbraw/zinc/29/63/98/600296398.db2.gz	NYGOKXZVZOSFRP-MRXNPFEDSA-N	-1	1	394.393	2.360	20	30		GEEDMM
C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000736089694	600900462	/nfs/dbraw/zinc/90/04/62/600900462.db2.gz	OSTJXCQGHHEGIU-UHFFFAOYSA-N	-1	1	379.365	2.102	20	30		GEEDMM
C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000736089794	600900699	/nfs/dbraw/zinc/90/06/99/600900699.db2.gz	QDQMAZPOSZQVNY-UHFFFAOYSA-N	-1	1	379.365	2.345	20	30		GEEDMM
C=CCc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc(OC)c1OC	ZINC000630221839	601092983	/nfs/dbraw/zinc/09/29/83/601092983.db2.gz	CPIQWHVMOMVFAG-AWEZNQCLSA-N	-1	1	376.453	2.053	20	30		GEEDMM
C=CCOc1ccc(/C=C\C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1OC	ZINC000825698782	601095620	/nfs/dbraw/zinc/09/56/20/601095620.db2.gz	JJTWGCQXYJSCBR-IOBAAEILSA-N	-1	1	388.464	2.281	20	30		GEEDMM
C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCN1C[C@H](O)c1ccccc1	ZINC000828413132	601315189	/nfs/dbraw/zinc/31/51/89/601315189.db2.gz	PRKQIKXHWOXWAR-CZAAIQMYSA-N	-1	1	379.460	2.424	20	30		GEEDMM
N#Cc1nc(-c2ccco2)oc1N1CCN(CC2CCN(C(=O)[O-])CC2)CC1	ZINC000740324362	602257937	/nfs/dbraw/zinc/25/79/37/602257937.db2.gz	MANDIONNEPLQFZ-UHFFFAOYSA-N	-1	1	385.424	2.318	20	30		GEEDMM
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(C#N)cc1	ZINC000824640466	607586398	/nfs/dbraw/zinc/58/63/98/607586398.db2.gz	JEZBIAFFRWMQHO-JTQLQIEISA-N	-1	1	388.840	2.431	20	30		GEEDMM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000831075783	603987671	/nfs/dbraw/zinc/98/76/71/603987671.db2.gz	DBGHVNYLFQFOMQ-OWCLPIDISA-N	-1	1	391.431	2.440	20	30		GEEDMM
N#CC(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)c1nc2ccccc2n1C(F)F	ZINC000831064816	604387397	/nfs/dbraw/zinc/38/73/97/604387397.db2.gz	NSFUUHMUTJPFNV-GHMZBOCLSA-N	-1	1	378.335	2.377	20	30		GEEDMM
C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCN1C[C@H](O)c1ccccc1	ZINC000833628913	604607258	/nfs/dbraw/zinc/60/72/58/604607258.db2.gz	CBWHAUQPAGOILJ-KKSFZXQISA-N	-1	1	379.460	2.496	20	30		GEEDMM
C#CCOc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1	ZINC000833367123	605325618	/nfs/dbraw/zinc/32/56/18/605325618.db2.gz	PQRQLBRNJLIWRD-UHFFFAOYSA-N	-1	1	376.346	2.106	20	30		GEEDMM
N#CC1(NC(=O)C2CCC(NC(=O)[O-])CC2)CCN(Cc2ccccc2)CC1	ZINC000833962935	605472398	/nfs/dbraw/zinc/47/23/98/605472398.db2.gz	CILXCYCDDCQNDJ-UHFFFAOYSA-N	-1	1	384.480	2.487	20	30		GEEDMM
N#Cc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)c(F)c1	ZINC000833972079	605514243	/nfs/dbraw/zinc/51/42/43/605514243.db2.gz	UQTGQHUIASKDKF-CRAIPNDOSA-N	-1	1	388.443	2.168	20	30		GEEDMM
N#Cc1ccc(-c2nnc(COC(=O)c3ccc(-c4nnn[n-]4)s3)o2)cc1	ZINC000822822728	606134908	/nfs/dbraw/zinc/13/49/08/606134908.db2.gz	DNACUJKKJKCSEC-UHFFFAOYSA-N	-1	1	379.361	2.207	20	30		GEEDMM
N#Cc1ccc(-c2nnc(COC(=O)c3ccc(-c4nn[n-]n4)s3)o2)cc1	ZINC000822822728	606134909	/nfs/dbraw/zinc/13/49/09/606134909.db2.gz	DNACUJKKJKCSEC-UHFFFAOYSA-N	-1	1	379.361	2.207	20	30		GEEDMM
COc1ccc(CC2N=NC(=S)N2N=Cc2ccc(-c3nn[n-]n3)s2)cc1	ZINC000821824565	606369180	/nfs/dbraw/zinc/36/91/80/606369180.db2.gz	NLUAIGGMAZWNHW-UHFFFAOYSA-N	-1	1	398.477	2.290	20	30		GEEDMM
CN(C)S(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1	ZINC000821588107	606388426	/nfs/dbraw/zinc/38/84/26/606388426.db2.gz	BCBALLKHFUWMTL-WEVVVXLNSA-N	-1	1	389.462	2.075	20	30		GEEDMM
Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1ccnc(C#N)c1	ZINC000822542200	606648146	/nfs/dbraw/zinc/64/81/46/606648146.db2.gz	VBTMUGSLHYFWPI-UHFFFAOYSA-N	-1	1	375.348	2.183	20	30		GEEDMM
Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1ccnc(C#N)c1	ZINC000822542200	606648147	/nfs/dbraw/zinc/64/81/47/606648147.db2.gz	VBTMUGSLHYFWPI-UHFFFAOYSA-N	-1	1	375.348	2.183	20	30		GEEDMM
N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000822826443	606793421	/nfs/dbraw/zinc/79/34/21/606793421.db2.gz	YUCOBCHOJSMGGX-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000819743503	606841264	/nfs/dbraw/zinc/84/12/64/606841264.db2.gz	KSCIWBIXLUKXAG-UHFFFAOYSA-N	-1	1	387.440	2.425	20	30		GEEDMM
N#Cc1c(Cl)cccc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1	ZINC000826383090	607867598	/nfs/dbraw/zinc/86/75/98/607867598.db2.gz	JVRZTTXPHIPBNS-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#Cc1c(Cl)cccc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1	ZINC000826383090	607867599	/nfs/dbraw/zinc/86/75/99/607867599.db2.gz	JVRZTTXPHIPBNS-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
Cc1cc(C)n(N=Cc2cccn2Cc2cccs2)c(=O)c1-c1nn[n-]n1	ZINC000826265498	607885267	/nfs/dbraw/zinc/88/52/67/607885267.db2.gz	BIGVOROYFWUAEL-UHFFFAOYSA-N	-1	1	379.449	2.439	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)CCCn2ccc3cc(Cl)ccc32)nc1-c1nn[nH]n1	ZINC000826382790	608024612	/nfs/dbraw/zinc/02/46/12/608024612.db2.gz	VFWKCZUDXPGNJA-UHFFFAOYSA-N	-1	1	395.814	2.488	20	30		GEEDMM
C=CCn1c(COc2ccccc2)nnc1Sc1ccc(-c2nnn[n-]2)nn1	ZINC000823937292	608433692	/nfs/dbraw/zinc/43/36/92/608433692.db2.gz	QEVDOIKHOLMYOY-UHFFFAOYSA-N	-1	1	393.436	2.164	20	30		GEEDMM
C=CCn1c(COc2ccccc2)nnc1Sc1ccc(-c2nn[n-]n2)nn1	ZINC000823937292	608433693	/nfs/dbraw/zinc/43/36/93/608433693.db2.gz	QEVDOIKHOLMYOY-UHFFFAOYSA-N	-1	1	393.436	2.164	20	30		GEEDMM
Cc1c(C)n(C2CCCC2)c(NC(=O)Cn2ccnc2-c2nnn[n-]2)c1C#N	ZINC000826234382	608894715	/nfs/dbraw/zinc/89/47/15/608894715.db2.gz	TVKHEHIIOUTDKZ-UHFFFAOYSA-N	-1	1	379.428	2.107	20	30		GEEDMM
Cc1c(C)n(C2CCCC2)c(NC(=O)Cn2ccnc2-c2nn[n-]n2)c1C#N	ZINC000826234382	608894717	/nfs/dbraw/zinc/89/47/17/608894717.db2.gz	TVKHEHIIOUTDKZ-UHFFFAOYSA-N	-1	1	379.428	2.107	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc3c(s2)SCC(=O)N3)o1	ZINC000823962404	609410106	/nfs/dbraw/zinc/41/01/06/609410106.db2.gz	JXBVVZBWELNVMU-UHFFFAOYSA-N	-1	1	376.427	2.105	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)c(Cl)c1	ZINC000826385797	609531235	/nfs/dbraw/zinc/53/12/35/609531235.db2.gz	AXBGONPZPZXFMW-UHFFFAOYSA-N	-1	1	378.776	2.332	20	30		GEEDMM
N#Cc1ccc(N2CCC[C@@H](Nc3ccc(Cl)c(-c4nnn[n-]4)n3)C2=O)cc1	ZINC000826385524	609575892	/nfs/dbraw/zinc/57/58/92/609575892.db2.gz	PZJCYMUXMOJCDQ-CQSZACIVSA-N	-1	1	394.826	2.394	20	30		GEEDMM
N#Cc1ccc(N2CCC[C@@H](Nc3ccc(Cl)c(-c4nn[n-]n4)n3)C2=O)cc1	ZINC000826385524	609575894	/nfs/dbraw/zinc/57/58/94/609575894.db2.gz	PZJCYMUXMOJCDQ-CQSZACIVSA-N	-1	1	394.826	2.394	20	30		GEEDMM
CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451237341	650097069	/nfs/dbraw/zinc/09/70/69/650097069.db2.gz	AWAYHWNXZFAVMY-LBPRGKRZSA-N	-1	1	379.251	2.145	20	30		GEEDMM
C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451582172	650127438	/nfs/dbraw/zinc/12/74/38/650127438.db2.gz	FKABTZCXGOKZJO-LKFCYVNXSA-N	-1	1	391.262	2.289	20	30		GEEDMM
C=CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC	ZINC000451994046	650163115	/nfs/dbraw/zinc/16/31/15/650163115.db2.gz	NPNHCPHICIARGU-NSHDSACASA-N	-1	1	376.818	2.424	20	30		GEEDMM
C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1	ZINC000531653269	650741858	/nfs/dbraw/zinc/74/18/58/650741858.db2.gz	WAUDEEBACXANDN-UHFFFAOYSA-N	-1	1	379.459	2.382	20	30		GEEDMM
COCC[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1	ZINC000116711544	643468216	/nfs/dbraw/zinc/46/82/16/643468216.db2.gz	BDOXZRCODWBTMM-DEOSSOPVSA-N	-1	1	378.475	2.254	20	30		GEEDMM
C=C(C)COCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000125757254	643710098	/nfs/dbraw/zinc/71/00/98/643710098.db2.gz	KEXKIGDOYWAVHK-UHFFFAOYSA-N	-1	1	379.232	2.228	20	30		GEEDMM
N#Cc1ccc(OCC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	ZINC000173538207	644359240	/nfs/dbraw/zinc/35/92/40/644359240.db2.gz	KSDSPOKWGIOPKU-UHFFFAOYSA-N	-1	1	381.797	2.477	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Br)cc3c2OCC3)o1	ZINC000553515706	651178521	/nfs/dbraw/zinc/17/85/21/651178521.db2.gz	UNHRVJQTXHEKAE-UHFFFAOYSA-N	-1	1	383.223	2.327	20	30		GEEDMM
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1C	ZINC000603973022	651506268	/nfs/dbraw/zinc/50/62/68/651506268.db2.gz	SSGNPEQONWCXFW-UHFFFAOYSA-N	-1	1	399.881	2.229	20	30		GEEDMM
CCCOc1ccc(Br)cc1C=NNc1nc2[nH][n-]cc-2c(=O)n1	ZINC000731157903	651620258	/nfs/dbraw/zinc/62/02/58/651620258.db2.gz	UKULMAYQZHHBLR-UHFFFAOYSA-N	-1	1	391.229	2.429	20	30		GEEDMM
N#CCCCS(=O)(=O)Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000732218592	651648309	/nfs/dbraw/zinc/64/83/09/651648309.db2.gz	WPQRGYNPZPFAKV-UHFFFAOYSA-N	-1	1	380.447	2.500	20	30		GEEDMM
N#CCc1ccnc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1	ZINC000573293296	651945135	/nfs/dbraw/zinc/94/51/35/651945135.db2.gz	ISDZBLNXJPKKKL-UHFFFAOYSA-N	-1	1	399.259	2.371	20	30		GEEDMM
O=S(=O)([N-]c1nccs1)c1ccc(N=NC2CN3CCC2CC3)cc1	ZINC000748081576	652190459	/nfs/dbraw/zinc/19/04/59/652190459.db2.gz	ONLNFVFLJMRFOG-UHFFFAOYSA-N	-1	1	377.495	2.437	20	30		GEEDMM
Cn1nc(Br)c2c1ncnc2NN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000751132708	652325496	/nfs/dbraw/zinc/32/54/96/652325496.db2.gz	IAXXKEWYUBVKLU-UHFFFAOYSA-N	-1	1	392.173	2.186	20	30		GEEDMM
COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)nc1C1CC1	ZINC000593571385	652625237	/nfs/dbraw/zinc/62/52/37/652625237.db2.gz	HFWXAYOJQCZXKG-UHFFFAOYSA-N	-1	1	377.447	2.157	20	30		GEEDMM
C#CCOc1ccccc1-c1noc(C[N-]S(=O)(=O)c2cccs2)n1	ZINC000761995929	652666608	/nfs/dbraw/zinc/66/66/08/652666608.db2.gz	NMVWQZYFXDQEPH-UHFFFAOYSA-N	-1	1	375.431	2.289	20	30		GEEDMM
CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)c(Br)c1)[C@H]1CCOC1	ZINC000594726473	652676997	/nfs/dbraw/zinc/67/69/97/652676997.db2.gz	MEZFCRIQPROGDP-FZMZJTMJSA-N	-1	1	389.271	2.114	20	30		GEEDMM
COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C#N)C(C)C)c(F)cc1Br	ZINC000766047320	652863121	/nfs/dbraw/zinc/86/31/21/652863121.db2.gz	KBSYAHRLWZNJBS-NSHDSACASA-N	-1	1	393.234	2.201	20	30		GEEDMM
N#CCCN1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1	ZINC000602203614	653157475	/nfs/dbraw/zinc/15/74/75/653157475.db2.gz	WXQBPOTVTJBHDS-UHFFFAOYSA-N	-1	1	389.253	2.374	20	30		GEEDMM
C#CCC[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl	ZINC000769656199	653168932	/nfs/dbraw/zinc/16/89/32/653168932.db2.gz	XDGMZYFOYSLMHL-UHFFFAOYSA-N	-1	1	379.619	2.251	20	30		GEEDMM
N#Cc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cc1F	ZINC000810406832	653338250	/nfs/dbraw/zinc/33/82/50/653338250.db2.gz	XIUWUOGWTVURJK-UHFFFAOYSA-N	-1	1	392.184	2.420	20	30		GEEDMM
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2COc3cccc(Cl)c32)cc1	ZINC000814821873	653639966	/nfs/dbraw/zinc/63/99/66/653639966.db2.gz	BVOPBXKWRJVZDY-UHFFFAOYSA-N	-1	1	381.797	2.464	20	30		GEEDMM
N#Cc1ccc(CNC(=O)c2ccc(I)c([O-])c2)nc1	ZINC000782020929	653653936	/nfs/dbraw/zinc/65/39/36/653653936.db2.gz	XWDWAWIHUHHPEZ-UHFFFAOYSA-N	-1	1	379.157	2.193	20	30		GEEDMM
C#CC[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)C(=O)OC	ZINC000841541399	653730253	/nfs/dbraw/zinc/73/02/53/653730253.db2.gz	SNACIKIESDADCK-LURJTMIESA-N	-1	1	386.676	2.007	20	30		GEEDMM
COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1	ZINC000882702405	653798876	/nfs/dbraw/zinc/79/88/76/653798876.db2.gz	YSNKSFTVVSNRDS-WAAGHKOSSA-N	-1	1	377.235	2.163	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)C(F)(F)F)c(Cl)c1	ZINC000882781500	653807287	/nfs/dbraw/zinc/80/72/87/653807287.db2.gz	OCKGZZYLQMYFBD-VIFPVBQESA-N	-1	1	378.706	2.048	20	30		GEEDMM
C#C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F	ZINC000795955577	653980028	/nfs/dbraw/zinc/98/00/28/653980028.db2.gz	QRYHATCMWLHWNA-MRVPVSSYSA-N	-1	1	378.219	2.065	20	30		GEEDMM
CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(OC)OC	ZINC000849405891	654024876	/nfs/dbraw/zinc/02/48/76/654024876.db2.gz	RDFQOPCCAWNHRP-NSHDSACASA-N	-1	1	395.250	2.136	20	30		GEEDMM
C[C@@]1(C#N)CN(C(=O)c2c([O-])cnc3c(Br)cccc32)CCO1	ZINC000887686585	654044997	/nfs/dbraw/zinc/04/49/97/654044997.db2.gz	LBPQENPJCHKVBI-MRXNPFEDSA-N	-1	1	376.210	2.458	20	30		GEEDMM
Cc1cc([O-])c(C(=O)C=Cc2cc3c(cc2Br)OCO3)c(=O)o1	ZINC000916136912	654085400	/nfs/dbraw/zinc/08/54/00/654085400.db2.gz	FGYJYTCLFVWRAZ-MPNWYJEXSA-N	-1	1	379.162	2.406	20	30		GEEDMM
CC(=O)N1CCc2cc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)c(Cl)cc21	ZINC000901770442	654147562	/nfs/dbraw/zinc/14/75/62/654147562.db2.gz	YZVJBGKRMDXPJZ-ZDUSSCGKSA-N	-1	1	395.790	2.372	20	30		GEEDMM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F	ZINC000918463090	654151599	/nfs/dbraw/zinc/15/15/99/654151599.db2.gz	MHKVWHIHUIXWGV-JTQLQIEISA-N	-1	1	394.262	2.304	20	30		GEEDMM
COC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1	ZINC000919233834	654174203	/nfs/dbraw/zinc/17/42/03/654174203.db2.gz	IPKSNLGNNAJFNQ-GFCCVEGCSA-N	-1	1	378.372	2.389	20	30		GEEDMM
N#Cc1ccc(N2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)cn1	ZINC000801293322	654190180	/nfs/dbraw/zinc/19/01/80/654190180.db2.gz	KEIYXHJQEXFDRE-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
C=CCCCN(CC)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C)cn1	ZINC000903691823	654279298	/nfs/dbraw/zinc/27/92/98/654279298.db2.gz	JCOXIISAFPBZIN-UHFFFAOYSA-N	-1	1	389.543	2.140	20	30		GEEDMM
N#C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCC1	ZINC000921543232	654279510	/nfs/dbraw/zinc/27/95/10/654279510.db2.gz	PJQCCOYKPVNLKL-CYBMUJFWSA-N	-1	1	390.292	2.470	20	30		GEEDMM
C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1	ZINC000926608726	654577914	/nfs/dbraw/zinc/57/79/14/654577914.db2.gz	NMRVKVACNZORDI-UHFFFAOYSA-N	-1	1	384.885	2.065	20	30		GEEDMM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(CS(C)(=O)=O)c(F)c1	ZINC000125966087	532144081	/nfs/dbraw/zinc/14/40/81/532144081.db2.gz	HFBJJFCHYCHNOS-UHFFFAOYSA-N	-1	1	382.438	2.351	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1Br	ZINC000432767396	532545196	/nfs/dbraw/zinc/54/51/96/532545196.db2.gz	SUWGBZPIARBEEK-UHFFFAOYSA-N	-1	1	380.223	2.220	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCO[C@H]2CC2(F)F)cc1Br	ZINC000594838204	532532810	/nfs/dbraw/zinc/53/28/10/532532810.db2.gz	AWWGJYASXPNKLW-NSHDSACASA-N	-1	1	399.188	2.162	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cc1Br	ZINC000432950044	532550879	/nfs/dbraw/zinc/55/08/79/532550879.db2.gz	QVDTXWHCAJDBIA-UHFFFAOYSA-N	-1	1	375.141	2.499	20	30		GEEDMM
C=CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)[N-]CC(F)(F)F	ZINC000375995537	532590009	/nfs/dbraw/zinc/59/00/09/532590009.db2.gz	RTMGMUTZDCBGQM-OAHLLOKOSA-N	-1	1	377.432	2.146	20	30		GEEDMM
COC(=O)c1sc(S(=O)(=O)[N-][C@](C)(C#N)CSC)c(C)c1Cl	ZINC000285013617	532639160	/nfs/dbraw/zinc/63/91/60/532639160.db2.gz	GZJFGSAVPLIZBQ-GFCCVEGCSA-N	-1	1	382.916	2.420	20	30		GEEDMM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F	ZINC000599298632	532657511	/nfs/dbraw/zinc/65/75/11/532657511.db2.gz	ZFVIAAWEOIWGFO-BONVTDFDSA-N	-1	1	375.393	2.011	20	30		GEEDMM
C=CCNC(=O)CNCc1cc(Br)c([O-])c(Br)c1	ZINC000393828622	532710379	/nfs/dbraw/zinc/71/03/79/532710379.db2.gz	JEOSDCHXNRSQPY-UHFFFAOYSA-N	-1	1	378.064	2.309	20	30		GEEDMM
COC(=O)[C@@H]([N-]S(=O)(=O)N(C)C[C@H](C)C#N)c1ccc(Cl)cc1Cl	ZINC000409510537	532723170	/nfs/dbraw/zinc/72/31/70/532723170.db2.gz	BDUSJZCQCFMNKF-RNCFNFMXSA-N	-1	1	394.280	2.133	20	30		GEEDMM
Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)no1	ZINC000286932243	532775990	/nfs/dbraw/zinc/77/59/90/532775990.db2.gz	PSSYDYINFTZJOQ-UHFFFAOYSA-N	-1	1	385.243	2.226	20	30		GEEDMM
CC(C)C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)C(=O)Nc1nccs1	ZINC000544724660	532782762	/nfs/dbraw/zinc/78/27/62/532782762.db2.gz	ZGLDPOUPMQMUPA-CYBMUJFWSA-N	-1	1	384.527	2.500	20	30		GEEDMM
CCCCCCC[C@H](CC(=O)[O-])NS(=O)(=O)c1scnc1C(=O)OC	ZINC000276751603	532900530	/nfs/dbraw/zinc/90/05/30/532900530.db2.gz	GMZOSGRUGZDGRO-LLVKDONJSA-N	-1	1	392.499	2.412	20	30		GEEDMM
Cn1cc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c(C(F)(F)F)n1	ZINC000293059156	532921718	/nfs/dbraw/zinc/92/17/18/532921718.db2.gz	KYTSISCWJDRKAO-UHFFFAOYSA-N	-1	1	391.268	2.474	20	30		GEEDMM
C[C@@H](CC#N)OC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000735964407	598857960	/nfs/dbraw/zinc/85/79/60/598857960.db2.gz	ZLVGEBNFFUUYOG-NSHDSACASA-N	-1	1	397.395	2.176	20	30		GEEDMM
N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(OC(F)(F)F)cc1	ZINC000737675685	599031514	/nfs/dbraw/zinc/03/15/14/599031514.db2.gz	QSMDFSMSDJTHSI-ZDUSSCGKSA-N	-1	1	389.297	2.155	20	30		GEEDMM
N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(OC(F)(F)F)cc1	ZINC000737675685	599031516	/nfs/dbraw/zinc/03/15/16/599031516.db2.gz	QSMDFSMSDJTHSI-ZDUSSCGKSA-N	-1	1	389.297	2.155	20	30		GEEDMM
Cc1ccc([N-][NH+]=Cc2c(C)c(-c3nn[n-]n3)c3[nH]c4ccccc4n3c2=O)nc1	ZINC000737362458	598439859	/nfs/dbraw/zinc/43/98/59/598439859.db2.gz	PLAAWFQBHDIXNJ-UHFFFAOYSA-N	-1	1	399.418	2.419	20	30		GEEDMM
C#CCOc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cc1	ZINC000735381596	598494524	/nfs/dbraw/zinc/49/45/24/598494524.db2.gz	WKVOUKOBCFUNGR-UHFFFAOYSA-N	-1	1	392.419	2.167	20	30		GEEDMM
CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1C#N	ZINC000820178215	607377140	/nfs/dbraw/zinc/37/71/40/607377140.db2.gz	LFMROPRTDWKXDP-UHFFFAOYSA-N	-1	1	384.421	2.326	20	30		GEEDMM
N#Cc1ccc(OC[C@@H](O)C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1	ZINC000739129310	600145049	/nfs/dbraw/zinc/14/50/49/600145049.db2.gz	UEIPTIOMQLOKTD-INIZCTEOSA-N	-1	1	390.823	2.244	20	30		GEEDMM
N#Cc1ccc(OC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1	ZINC000739129310	600145050	/nfs/dbraw/zinc/14/50/50/600145050.db2.gz	UEIPTIOMQLOKTD-INIZCTEOSA-N	-1	1	390.823	2.244	20	30		GEEDMM
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cc(C#N)ccc2C)c1OC	ZINC000484970594	600898773	/nfs/dbraw/zinc/89/87/73/600898773.db2.gz	GTOJAVXNQCRNLO-UHFFFAOYSA-N	-1	1	376.390	2.383	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)c(F)c1	ZINC000614337600	601981351	/nfs/dbraw/zinc/98/13/51/601981351.db2.gz	VPUXMWCEBMJDLE-ZDUSSCGKSA-N	-1	1	388.298	2.219	20	30		GEEDMM
O=C([O-])c1cccc(C#Cc2cccc(NC(=O)NCCc3nc[nH]n3)c2)c1	ZINC000833143859	602388019	/nfs/dbraw/zinc/38/80/19/602388019.db2.gz	CPJFYTWGOZSMAV-UHFFFAOYSA-N	-1	1	375.388	2.267	20	30		GEEDMM
C[C@@H]1CN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[C@@H]1NC(=O)[O-]	ZINC000739179025	602775414	/nfs/dbraw/zinc/77/54/14/602775414.db2.gz	KZWMKVHTQXAHRA-SNPRPXQTSA-N	-1	1	379.420	2.202	20	30		GEEDMM
C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(C#N)cc1	ZINC000824640467	607586270	/nfs/dbraw/zinc/58/62/70/607586270.db2.gz	JEZBIAFFRWMQHO-SNVBAGLBSA-N	-1	1	388.840	2.431	20	30		GEEDMM
CSc1nc(C2CC2)cc(C(=O)OCc2ccnc(C#N)c2)c1-c1nnn[n-]1	ZINC000826231482	607599954	/nfs/dbraw/zinc/59/99/54/607599954.db2.gz	NHXBDKGIWYOMGP-UHFFFAOYSA-N	-1	1	393.432	2.485	20	30		GEEDMM
CSc1nc(C2CC2)cc(C(=O)OCc2ccnc(C#N)c2)c1-c1nn[n-]n1	ZINC000826231482	607599956	/nfs/dbraw/zinc/59/99/56/607599956.db2.gz	NHXBDKGIWYOMGP-UHFFFAOYSA-N	-1	1	393.432	2.485	20	30		GEEDMM
C=CCSCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1	ZINC000823937381	607600104	/nfs/dbraw/zinc/60/01/04/607600104.db2.gz	VLRWZQDJFFNMPK-UHFFFAOYSA-N	-1	1	393.416	2.083	20	30		GEEDMM
C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1cccc(C#N)c1	ZINC000824641808	607655760	/nfs/dbraw/zinc/65/57/60/607655760.db2.gz	ZDPMDOZZUNRVJA-SNVBAGLBSA-N	-1	1	388.840	2.431	20	30		GEEDMM
N#CCOc1ccccc1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1	ZINC000831109660	603913674	/nfs/dbraw/zinc/91/36/74/603913674.db2.gz	QBLRFSXNSFNVPN-UHFFFAOYSA-N	-1	1	392.375	2.394	20	30		GEEDMM
N#CCOc1ccccc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1	ZINC000831109660	603913676	/nfs/dbraw/zinc/91/36/76/603913676.db2.gz	QBLRFSXNSFNVPN-UHFFFAOYSA-N	-1	1	392.375	2.394	20	30		GEEDMM
COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)Nc1ccc(C#N)cc1F	ZINC000831235676	604806646	/nfs/dbraw/zinc/80/66/46/604806646.db2.gz	CJQKKQKJJOOCGP-UHFFFAOYSA-N	-1	1	398.393	2.353	20	30		GEEDMM
C#CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)c1	ZINC000833366879	604860222	/nfs/dbraw/zinc/86/02/22/604860222.db2.gz	KTXWTEMWGVOVFH-UHFFFAOYSA-N	-1	1	391.401	2.215	20	30		GEEDMM
COc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2C)c(OC)c1C(=O)[O-]	ZINC000833734454	604862078	/nfs/dbraw/zinc/86/20/78/604862078.db2.gz	FVHIJHKWKZJHDN-UHFFFAOYSA-N	-1	1	376.390	2.383	20	30		GEEDMM
N#Cc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)s1	ZINC000833971795	605685939	/nfs/dbraw/zinc/68/59/39/605685939.db2.gz	NUHHTVZWRLYNMZ-CJNGLKHVSA-N	-1	1	376.482	2.090	20	30		GEEDMM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN(C1CC1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000833963259	605780528	/nfs/dbraw/zinc/78/05/28/605780528.db2.gz	KLGWMSFCLKQSHZ-CVEARBPZSA-N	-1	1	391.431	2.440	20	30		GEEDMM
C#CC[C@H](OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C(C)C	ZINC000819688286	606135235	/nfs/dbraw/zinc/13/52/35/606135235.db2.gz	FJZSWKOVHYCSMX-INIZCTEOSA-N	-1	1	381.440	2.050	20	30		GEEDMM
C#CC[C@H](OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C(C)C	ZINC000819688286	606135237	/nfs/dbraw/zinc/13/52/37/606135237.db2.gz	FJZSWKOVHYCSMX-INIZCTEOSA-N	-1	1	381.440	2.050	20	30		GEEDMM
N#C[C@H]1COCCN1C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1	ZINC000822805787	606285072	/nfs/dbraw/zinc/28/50/72/606285072.db2.gz	DEBZSLAGVAJMCG-ZDUSSCGKSA-N	-1	1	394.366	2.163	20	30		GEEDMM
N#C[C@H]1COCCN1C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1	ZINC000822805787	606285073	/nfs/dbraw/zinc/28/50/73/606285073.db2.gz	DEBZSLAGVAJMCG-ZDUSSCGKSA-N	-1	1	394.366	2.163	20	30		GEEDMM
CS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1F	ZINC000821937696	606392476	/nfs/dbraw/zinc/39/24/76/606392476.db2.gz	PIUSQDGRQSXZHP-HWKANZROSA-N	-1	1	378.410	2.367	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(-n3cncn3)cc2Cl)o1	ZINC000819782617	606988215	/nfs/dbraw/zinc/98/82/15/606988215.db2.gz	PELWLRNIBCLVIP-UHFFFAOYSA-N	-1	1	384.791	2.233	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NCc2nc3ccccn3c2Br)o1	ZINC000826323326	607887127	/nfs/dbraw/zinc/88/71/27/607887127.db2.gz	ZUNAIHSLIJMODE-UHFFFAOYSA-N	-1	1	388.189	2.019	20	30		GEEDMM
Cc1cc(C)n2c(CN=Nc3oc(C(C)(C)C)nc3-c3nn[n-]n3)cnc2n1	ZINC000826265526	607887865	/nfs/dbraw/zinc/88/78/65/607887865.db2.gz	CRCYFHMQVWOSCB-UHFFFAOYSA-N	-1	1	380.416	2.258	20	30		GEEDMM
CSc1[nH]c(=O)c(C(=O)N(CCC#N)CC(C)(C)C)cc1-c1nn[n-]n1	ZINC000826229663	608202563	/nfs/dbraw/zinc/20/25/63/608202563.db2.gz	MPYYXTWCUYEYBR-UHFFFAOYSA-N	-1	1	375.458	2.091	20	30		GEEDMM
COC(=O)[C@H](C)n1cccc1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1	ZINC000826104339	608388599	/nfs/dbraw/zinc/38/85/99/608388599.db2.gz	UTMJMGCXJXHWGG-NSHDSACASA-N	-1	1	386.416	2.035	20	30		GEEDMM
C=C(C)Cn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccncc1	ZINC000823878005	608433674	/nfs/dbraw/zinc/43/36/74/608433674.db2.gz	LXDZFFXYSMAVBC-UHFFFAOYSA-N	-1	1	378.425	2.038	20	30		GEEDMM
C=C(C)Cn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccncc1	ZINC000823878005	608433675	/nfs/dbraw/zinc/43/36/75/608433675.db2.gz	LXDZFFXYSMAVBC-UHFFFAOYSA-N	-1	1	378.425	2.038	20	30		GEEDMM
N#Cc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)c(Br)c1	ZINC000826384588	609346847	/nfs/dbraw/zinc/34/68/47/609346847.db2.gz	BJHVARPLDKAVBH-UHFFFAOYSA-N	-1	1	385.181	2.253	20	30		GEEDMM
N#Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c(Br)c1	ZINC000826384588	609346848	/nfs/dbraw/zinc/34/68/48/609346848.db2.gz	BJHVARPLDKAVBH-UHFFFAOYSA-N	-1	1	385.181	2.253	20	30		GEEDMM
C[C@H](C#N)CN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1	ZINC000824033914	609356883	/nfs/dbraw/zinc/35/68/83/609356883.db2.gz	CTGCUQNSDQKESX-LLVKDONJSA-N	-1	1	395.402	2.347	20	30		GEEDMM
C=CCN(CC=C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F	ZINC000450971314	650077044	/nfs/dbraw/zinc/07/70/44/650077044.db2.gz	SOFPRDJMZXCZGE-UHFFFAOYSA-N	-1	1	376.475	2.340	20	30		GEEDMM
CC[C@@](C)([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(=O)OC	ZINC000451150648	650090736	/nfs/dbraw/zinc/09/07/36/650090736.db2.gz	UCSZUDUOQZGJQM-CYBMUJFWSA-N	-1	1	393.234	2.080	20	30		GEEDMM
C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCOC1	ZINC000451183982	650094128	/nfs/dbraw/zinc/09/41/28/650094128.db2.gz	LSYGICPRRMZTNH-ZDUSSCGKSA-N	-1	1	377.235	2.165	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@H](O)CC2)cc1Br	ZINC000451345679	650105785	/nfs/dbraw/zinc/10/57/85/650105785.db2.gz	MBLFLARNSJZHNI-MGCOHNPYSA-N	-1	1	377.235	2.042	20	30		GEEDMM
C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451417756	650112366	/nfs/dbraw/zinc/11/23/66/650112366.db2.gz	KWFHZEBRZHELKW-ZMWSMAPVSA-N	-1	1	377.235	2.065	20	30		GEEDMM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CC#N)cc2)c(C)c1	ZINC000476217453	650546773	/nfs/dbraw/zinc/54/67/73/650546773.db2.gz	LZWSMMBLEPXJLC-UHFFFAOYSA-N	-1	1	380.447	2.102	20	30		GEEDMM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1	ZINC000486015010	650705168	/nfs/dbraw/zinc/70/51/68/650705168.db2.gz	CVVGBZFBEABEAT-GFCCVEGCSA-N	-1	1	380.447	2.182	20	30		GEEDMM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C#N)c3)cc2n(C)c1=O	ZINC000050531355	642684006	/nfs/dbraw/zinc/68/40/06/642684006.db2.gz	CJOUCSCGGXWRLR-UHFFFAOYSA-N	-1	1	376.825	2.203	20	30		GEEDMM
C=CCN(C1CC1)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC	ZINC000538971689	650840395	/nfs/dbraw/zinc/84/03/95/650840395.db2.gz	LLSVCJWAYMZIMH-UHFFFAOYSA-N	-1	1	388.511	2.186	20	30		GEEDMM
COCC[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000116711475	643467963	/nfs/dbraw/zinc/46/79/63/643467963.db2.gz	RKFKVDTWPBEJRL-XMMPIXPASA-N	-1	1	378.475	2.254	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(N)=O)cc1Cl	ZINC000156394675	644093727	/nfs/dbraw/zinc/09/37/27/644093727.db2.gz	WVFJXPCYVHMSLD-UHFFFAOYSA-N	-1	1	376.825	2.454	20	30		GEEDMM
C=CCN(CC(=O)OCC)C(=O)c1cc(I)ccc1[O-]	ZINC000233685434	645405758	/nfs/dbraw/zinc/40/57/58/645405758.db2.gz	OOMMYGJDROWPCU-UHFFFAOYSA-N	-1	1	389.189	2.188	20	30		GEEDMM
CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000330827971	647354405	/nfs/dbraw/zinc/35/44/05/647354405.db2.gz	PGWMCAJOGVMHKV-GFCCVEGCSA-N	-1	1	379.251	2.145	20	30		GEEDMM
CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1	ZINC000331320321	647380399	/nfs/dbraw/zinc/38/03/99/647380399.db2.gz	KOVQZPRXFAONFX-NXEZZACHSA-N	-1	1	377.235	2.306	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@H]2COc3cc(F)c(Br)cc32)o1	ZINC000367787844	647746202	/nfs/dbraw/zinc/74/62/02/647746202.db2.gz	UKYWMWGIRJXPPB-NSHDSACASA-N	-1	1	387.186	2.465	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)CCC1	ZINC000603421266	651489340	/nfs/dbraw/zinc/48/93/40/651489340.db2.gz	DFMREXJIUKFTOD-KBPBESRZSA-N	-1	1	376.400	2.134	20	30		GEEDMM
O=c1nc(NN=C2CCCOc3ccc(Br)cc32)nc2[nH][n-]cc1-2	ZINC000731154381	651620455	/nfs/dbraw/zinc/62/04/55/651620455.db2.gz	JHIIKZQFYUORQN-UHFFFAOYSA-N	-1	1	389.213	2.183	20	30		GEEDMM
O=S(=O)([N-]CCOCC(F)(F)C(F)F)c1ncccc1C(F)(F)F	ZINC000645683796	651636777	/nfs/dbraw/zinc/63/67/77/651636777.db2.gz	ZXXWCKDIZXDHHW-UHFFFAOYSA-N	-1	1	384.273	2.296	20	30		GEEDMM
O=c1nc(NN=Cc2nc(-c3cccc(Br)c3)c[nH]2)nc2[nH][n-]cc1-2	ZINC000731927744	651639143	/nfs/dbraw/zinc/63/91/43/651639143.db2.gz	RFBDVASULNWWOC-UHFFFAOYSA-N	-1	1	399.212	2.031	20	30		GEEDMM
C=CCN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H](C)COC	ZINC000617575436	651957809	/nfs/dbraw/zinc/95/78/09/651957809.db2.gz	XCRWMIBPLYRGHC-NSHDSACASA-N	-1	1	395.308	2.321	20	30		GEEDMM
C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1	ZINC000657094016	652112761	/nfs/dbraw/zinc/11/27/61/652112761.db2.gz	LQGQPJAVEOSBHP-GFCCVEGCSA-N	-1	1	376.475	2.174	20	30		GEEDMM
Cc1csc2nc(C)c(C=N[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])n12	ZINC000748252506	652196192	/nfs/dbraw/zinc/19/61/92/652196192.db2.gz	GARFMJQUGPYEAD-UHFFFAOYSA-N	-1	1	379.423	2.233	20	30		GEEDMM
CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F	ZINC000751595610	652360787	/nfs/dbraw/zinc/36/07/87/652360787.db2.gz	DUFGWQZPAITPAL-MRVPVSSYSA-N	-1	1	393.234	2.345	20	30		GEEDMM
N#Cc1cccc(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1	ZINC000582091247	652435098	/nfs/dbraw/zinc/43/50/98/652435098.db2.gz	IFGOCGKITBSSLF-UHFFFAOYSA-N	-1	1	398.271	2.460	20	30		GEEDMM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F	ZINC000594464753	652657918	/nfs/dbraw/zinc/65/79/18/652657918.db2.gz	SVJMRXDMKZPPAH-NEPJUHHUSA-N	-1	1	377.821	2.278	20	30		GEEDMM
COC(=O)[C@H]([N-]S(=O)(=O)CCCCC#N)c1ccccc1Br	ZINC000594843432	652692132	/nfs/dbraw/zinc/69/21/32/652692132.db2.gz	OITMJWVRFGCLDV-CYBMUJFWSA-N	-1	1	389.271	2.276	20	30		GEEDMM
C#CCCC[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br	ZINC000770250560	653204497	/nfs/dbraw/zinc/20/44/97/653204497.db2.gz	BODMKWFHFZJADQ-UHFFFAOYSA-N	-1	1	378.219	2.067	20	30		GEEDMM
C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F	ZINC000770391684	653211063	/nfs/dbraw/zinc/21/10/63/653211063.db2.gz	XAOMXQBYTOCZNK-VIFPVBQESA-N	-1	1	392.246	2.455	20	30		GEEDMM
C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F	ZINC000770391681	653211338	/nfs/dbraw/zinc/21/13/38/653211338.db2.gz	XAOMXQBYTOCZNK-SECBINFHSA-N	-1	1	392.246	2.455	20	30		GEEDMM
C#Cc1cccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NCCC)cc2)c1	ZINC000808072406	653216810	/nfs/dbraw/zinc/21/68/10/653216810.db2.gz	GAHXZNSGAFHQSE-UHFFFAOYSA-N	-1	1	378.475	2.157	20	30		GEEDMM
CCS(=O)(=O)c1c(Cl)cccc1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000774122892	653225707	/nfs/dbraw/zinc/22/57/07/653225707.db2.gz	YXMIVHWRUVFGDB-LZNQSLFOSA-N	-1	1	382.821	2.362	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H]1CCCO1	ZINC000809833669	653306703	/nfs/dbraw/zinc/30/67/03/653306703.db2.gz	MLACQAXJIJXOQA-ZYHUDNBSSA-N	-1	1	379.221	2.361	20	30		GEEDMM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F	ZINC000859426245	653463417	/nfs/dbraw/zinc/46/34/17/653463417.db2.gz	OWUNYPXLLMRAPA-SECBINFHSA-N	-1	1	382.226	2.434	20	30		GEEDMM
Cc1ncc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1C#N	ZINC000813698391	653611275	/nfs/dbraw/zinc/61/12/75/653611275.db2.gz	SNUWPDBUQGVLIP-UHFFFAOYSA-N	-1	1	382.239	2.208	20	30		GEEDMM
N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])nc1	ZINC000780890528	653634964	/nfs/dbraw/zinc/63/49/64/653634964.db2.gz	HVDRLMCFTJAGKN-UHFFFAOYSA-N	-1	1	397.210	2.102	20	30		GEEDMM
COc1cc(C#N)ccc1OCC(=O)Nc1nc(Br)ccc1[O-]	ZINC000783909489	653686495	/nfs/dbraw/zinc/68/64/95/653686495.db2.gz	GSEBCZGEMPDGNT-UHFFFAOYSA-N	-1	1	378.182	2.447	20	30		GEEDMM
C#CC[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1	ZINC000862556111	653688468	/nfs/dbraw/zinc/68/84/68/653688468.db2.gz	NKENJTXZBCETJT-LLVKDONJSA-N	-1	1	375.277	2.144	20	30		GEEDMM
C[C@@H]1CN(C(=O)c2ccc(I)cc2[O-])C[C@H](C)N1CC#N	ZINC000880452864	653706218	/nfs/dbraw/zinc/70/62/18/653706218.db2.gz	RQBBCWHAQUPJCN-PHIMTYICSA-N	-1	1	399.232	2.055	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)[C@@H]1CCCO1	ZINC000841514530	653724699	/nfs/dbraw/zinc/72/46/99/653724699.db2.gz	IQDGZGRYZABXMO-KGLIPLIRSA-N	-1	1	389.832	2.115	20	30		GEEDMM
C#CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F	ZINC000820798055	653784010	/nfs/dbraw/zinc/78/40/10/653784010.db2.gz	SIKDAWVOGYGTCM-UHFFFAOYSA-N	-1	1	392.246	2.455	20	30		GEEDMM
C=C(C)C[C@@H]([N-]S(=O)(=O)c1ncccc1Br)C(=O)OCC	ZINC000882645504	653794456	/nfs/dbraw/zinc/79/44/56/653794456.db2.gz	XNPOIDGNBWYLJS-LLVKDONJSA-N	-1	1	377.260	2.020	20	30		GEEDMM
C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC	ZINC000882845981	653813577	/nfs/dbraw/zinc/81/35/77/653813577.db2.gz	BCBVHOZWLYUVLD-SNVBAGLBSA-N	-1	1	382.265	2.385	20	30		GEEDMM
CCOC(=O)c1cc(S(=O)(=O)[N-]C[C@H](C)C#N)c(F)cc1Br	ZINC000795866499	653972724	/nfs/dbraw/zinc/97/27/24/653972724.db2.gz	HZUUSTSFZORLAF-MRVPVSSYSA-N	-1	1	393.234	2.203	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(C)C	ZINC000795978246	653981154	/nfs/dbraw/zinc/98/11/54/653981154.db2.gz	XJKMATMLJAFFTL-JTQLQIEISA-N	-1	1	379.207	2.433	20	30		GEEDMM
CCOC(=O)CS[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)C(F)(F)F	ZINC000828509423	654038633	/nfs/dbraw/zinc/03/86/33/654038633.db2.gz	JOMKDUOFQNEIBY-LBPRGKRZSA-N	-1	1	376.356	2.221	20	30		GEEDMM
Cc1cc([O-])c(C(=O)C=Cc2cc3c(cc2Br)OCO3)c(=O)o1	ZINC000916136911	654085482	/nfs/dbraw/zinc/08/54/82/654085482.db2.gz	FGYJYTCLFVWRAZ-GWQWAINWSA-N	-1	1	379.162	2.406	20	30		GEEDMM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1	ZINC000917731580	654132322	/nfs/dbraw/zinc/13/23/22/654132322.db2.gz	ICIIIXCQCOJNEQ-UHFFFAOYSA-N	-1	1	385.854	2.384	20	30		GEEDMM
CCCOC(=O)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000830773413	654141377	/nfs/dbraw/zinc/14/13/77/654141377.db2.gz	LCRMXAHAWKPUDT-UHFFFAOYSA-N	-1	1	393.234	2.081	20	30		GEEDMM
CC(C)(C)OC(=O)N1C[C@H]([N-]S(=O)(=O)c2sccc2Cl)[C@@H](C#N)C1	ZINC000831102017	654164371	/nfs/dbraw/zinc/16/43/71/654164371.db2.gz	VGSTWYQDLCTUNS-ONGXEEELSA-N	-1	1	391.902	2.439	20	30		GEEDMM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([N-]S(=O)(=O)c2sccc2Cl)C1	ZINC000831102016	654164536	/nfs/dbraw/zinc/16/45/36/654164536.db2.gz	VGSTWYQDLCTUNS-MWLCHTKSSA-N	-1	1	391.902	2.439	20	30		GEEDMM
CC(C)(C)OC(=O)NCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(F)F	ZINC000831970676	654221002	/nfs/dbraw/zinc/22/10/02/654221002.db2.gz	DPSTXASDVUKACX-SNVBAGLBSA-N	-1	1	395.453	2.447	20	30		GEEDMM
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)cc1O	ZINC000921262777	654241649	/nfs/dbraw/zinc/24/16/49/654241649.db2.gz	YZEMUPDJDXUKBA-ABCZVMIZSA-N	-1	1	381.178	2.392	20	30		GEEDMM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000832596561	654279788	/nfs/dbraw/zinc/27/97/88/654279788.db2.gz	DSQYKWPLMUPEMD-QMMMGPOBSA-N	-1	1	397.222	2.102	20	30		GEEDMM
N#Cc1c(NCc2cc(Br)cc(F)c2[O-])[nH]nc1N1CCOCC1	ZINC000922359730	654386564	/nfs/dbraw/zinc/38/65/64/654386564.db2.gz	BKDGOKDYCUMTOF-UHFFFAOYSA-N	-1	1	396.220	2.337	20	30		GEEDMM
N#Cc1c(NCc2cc(Br)cc(F)c2[O-])n[nH]c1N1CCOCC1	ZINC000922359730	654386568	/nfs/dbraw/zinc/38/65/68/654386568.db2.gz	BKDGOKDYCUMTOF-UHFFFAOYSA-N	-1	1	396.220	2.337	20	30		GEEDMM
C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)oc2Br)CC1	ZINC000872671305	654388653	/nfs/dbraw/zinc/38/86/53/654388653.db2.gz	QMSDRXXCWVQQOF-MGCOHNPYSA-N	-1	1	390.255	2.299	20	30		GEEDMM
C=CCCOCC[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F	ZINC000914298096	654843045	/nfs/dbraw/zinc/84/30/45/654843045.db2.gz	OKLVRURJYHOHIX-UHFFFAOYSA-N	-1	1	382.251	2.468	20	30		GEEDMM
Cn1c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2n(C)c1=O	ZINC000064477662	531867409	/nfs/dbraw/zinc/86/74/09/531867409.db2.gz	HLDBWUVFPRWPIE-UHFFFAOYSA-N	-1	1	376.825	2.203	20	30		GEEDMM
C=CCn1c(SCC(=O)Nc2nnn[n-]2)nnc1-c1ccc(Cl)cc1	ZINC000135464951	532273786	/nfs/dbraw/zinc/27/37/86/532273786.db2.gz	DZLATUWTYFDMOJ-UHFFFAOYSA-N	-1	1	376.833	2.028	20	30		GEEDMM
C=CCn1c(SCC(=O)Nc2nn[n-]n2)nnc1-c1ccc(Cl)cc1	ZINC000135464951	532273787	/nfs/dbraw/zinc/27/37/87/532273787.db2.gz	DZLATUWTYFDMOJ-UHFFFAOYSA-N	-1	1	376.833	2.028	20	30		GEEDMM
COc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F	ZINC000594490896	532512610	/nfs/dbraw/zinc/51/26/10/532512610.db2.gz	WZGIMKSQSXHYFS-FZMZJTMJSA-N	-1	1	378.372	2.345	20	30		GEEDMM
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1	ZINC000433599756	532573940	/nfs/dbraw/zinc/57/39/40/532573940.db2.gz	NDZKLPARXNRIQL-UHFFFAOYSA-N	-1	1	383.426	2.178	20	30		GEEDMM
COC(=O)c1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)o1	ZINC000566931940	532630905	/nfs/dbraw/zinc/63/09/05/532630905.db2.gz	HOGDCCANWKCFKA-UHFFFAOYSA-N	-1	1	399.222	2.179	20	30		GEEDMM
C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)[C@@H](O)C(F)(F)F	ZINC000632673237	532638097	/nfs/dbraw/zinc/63/80/97/532638097.db2.gz	IVCMTUAXNPPKHT-MLUIRONXSA-N	-1	1	385.257	2.314	20	30		GEEDMM
C[C@@]1(C#N)CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1	ZINC000598405244	532648131	/nfs/dbraw/zinc/64/81/31/532648131.db2.gz	IKAUZVPEUDGVGR-AWEZNQCLSA-N	-1	1	376.265	2.034	20	30		GEEDMM
CCOC(=O)C1=C(C(=O)C2CC2)[C@H](c2ccc([O-])c(Cl)c2)NC(=S)N1	ZINC000299279557	532706438	/nfs/dbraw/zinc/70/64/38/532706438.db2.gz	BBWPILWOSXQNAJ-ZDUSSCGKSA-N	-1	1	380.853	2.361	20	30		GEEDMM
C[C@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000331340717	532838427	/nfs/dbraw/zinc/83/84/27/532838427.db2.gz	SIASTYWYYSIPIM-ZIAGYGMSSA-N	-1	1	391.262	2.289	20	30		GEEDMM
C=CC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1ccncc1	ZINC000735409383	598968847	/nfs/dbraw/zinc/96/88/47/598968847.db2.gz	DOOZRLHAJRRNRY-MRXNPFEDSA-N	-1	1	393.451	2.345	20	30		GEEDMM
C=CC[C@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000735409703	599203140	/nfs/dbraw/zinc/20/31/40/599203140.db2.gz	IXWCZXRDQAORQG-LBPRGKRZSA-N	-1	1	397.439	2.412	20	30		GEEDMM
C=CC[C@H](C)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1	ZINC000735410200	599218335	/nfs/dbraw/zinc/21/83/35/599218335.db2.gz	WXEKUOKXPXMVHH-LBPRGKRZSA-N	-1	1	393.407	2.073	20	30		GEEDMM
N#Cc1c(F)cccc1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1	ZINC000737704968	598237286	/nfs/dbraw/zinc/23/72/86/598237286.db2.gz	JIAZNKNVFQHZLP-UHFFFAOYSA-N	-1	1	380.387	2.069	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(NNC(=S)Nc2ccc(C#N)c(Cl)c2)o1	ZINC000737468013	598322557	/nfs/dbraw/zinc/32/25/57/598322557.db2.gz	VXFSJIIXXITLLQ-UHFFFAOYSA-N	-1	1	375.805	2.002	20	30		GEEDMM
N#Cc1ccc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)c(F)c1	ZINC000737718226	598579765	/nfs/dbraw/zinc/57/97/65/598579765.db2.gz	MOIGEEWQCNBNFA-UHFFFAOYSA-N	-1	1	384.806	2.252	20	30		GEEDMM
N#Cc1ccc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)c(F)c1	ZINC000737718226	598579766	/nfs/dbraw/zinc/57/97/66/598579766.db2.gz	MOIGEEWQCNBNFA-UHFFFAOYSA-N	-1	1	384.806	2.252	20	30		GEEDMM
C=CCOc1ccccc1CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O	ZINC000735436011	598721132	/nfs/dbraw/zinc/72/11/32/598721132.db2.gz	CJQOHMFGNVTBAY-UHFFFAOYSA-N	-1	1	398.448	2.184	20	30		GEEDMM
CN=c1scc(-c2cc(C)n(C)c2C)n1N=Cc1ccc(-c2nnn[n-]2)o1	ZINC000736866497	599324443	/nfs/dbraw/zinc/32/44/43/599324443.db2.gz	GXHBUDAZDGTTRV-UHFFFAOYSA-N	-1	1	382.453	2.358	20	30		GEEDMM
CN=c1scc(-c2cc(C)n(C)c2C)n1N=Cc1ccc(-c2nn[n-]n2)o1	ZINC000736866497	599324444	/nfs/dbraw/zinc/32/44/44/599324444.db2.gz	GXHBUDAZDGTTRV-UHFFFAOYSA-N	-1	1	382.453	2.358	20	30		GEEDMM
CC(C)(C)OC(=O)NCCCN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1	ZINC000819939980	607370784	/nfs/dbraw/zinc/37/07/84/607370784.db2.gz	MTJWVATZVFCXGD-UHFFFAOYSA-N	-1	1	378.437	2.465	20	30		GEEDMM
Cc1cc(C#N)ccc1COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C	ZINC000826257214	607410155	/nfs/dbraw/zinc/41/01/55/607410155.db2.gz	SMDUOBPHFZVMJF-UHFFFAOYSA-N	-1	1	392.419	2.440	20	30		GEEDMM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000827368964	601132403	/nfs/dbraw/zinc/13/24/03/601132403.db2.gz	KYFVWIMGPIPNLP-KRWDZBQOSA-N	-1	1	392.459	2.494	20	30		GEEDMM
N#Cc1cccc([C@@H](NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C(=O)[O-])c1	ZINC000833076656	601303625	/nfs/dbraw/zinc/30/36/25/601303625.db2.gz	XSJPOXSGGGHVDE-VQTJNVASSA-N	-1	1	393.443	2.383	20	30		GEEDMM
C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCN1C[C@@H](O)c1ccccc1	ZINC000828413134	601315241	/nfs/dbraw/zinc/31/52/41/601315241.db2.gz	PRKQIKXHWOXWAR-MAODMQOUSA-N	-1	1	379.460	2.424	20	30		GEEDMM
N#Cc1ccc([C@H](C(=O)[O-])N2CCN(Cc3nccn3C(F)F)CC2)cc1	ZINC000833072511	601607322	/nfs/dbraw/zinc/60/73/22/601607322.db2.gz	UBILVZBZTFXHTL-MRXNPFEDSA-N	-1	1	375.379	2.093	20	30		GEEDMM
C=CCn1c(CCN2CCCCC2)nn(CN2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S	ZINC000825710803	601815792	/nfs/dbraw/zinc/81/57/92/601815792.db2.gz	BPTAJXLNZDRHIT-CVEARBPZSA-N	-1	1	393.557	2.238	20	30		GEEDMM
CCC(CC)CN(CCC#N)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000825108583	607608617	/nfs/dbraw/zinc/60/86/17/607608617.db2.gz	XCQPSYYOPVZQHK-UHFFFAOYSA-N	-1	1	380.449	2.346	20	30		GEEDMM
CCC(CC)CN(CCC#N)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000825108583	607608619	/nfs/dbraw/zinc/60/86/19/607608619.db2.gz	XCQPSYYOPVZQHK-UHFFFAOYSA-N	-1	1	380.449	2.346	20	30		GEEDMM
CN(C[C@H]1CCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(=O)[O-]	ZINC000828222671	603579510	/nfs/dbraw/zinc/57/95/10/603579510.db2.gz	CXUZYODDEWBQAN-CABCVRRESA-N	-1	1	379.420	2.298	20	30		GEEDMM
CC(=NN=c1nc(C)[nH]c2sc3c(c21)CCCC3)c1cn(CC(=O)[O-])nn1	ZINC000825808816	604783925	/nfs/dbraw/zinc/78/39/25/604783925.db2.gz	FCBLPFLSVJMOOB-UHFFFAOYSA-N	-1	1	385.453	2.391	20	30		GEEDMM
CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000833572813	604861290	/nfs/dbraw/zinc/86/12/90/604861290.db2.gz	CZNLSVHWOUYDLC-KKSFZXQISA-N	-1	1	398.463	2.106	20	30		GEEDMM
N#Cc1ccc(CN2CCCN(C(=O)CC[C@H]3CCN(C(=O)[O-])C3)CC2)cc1	ZINC000833971522	605394907	/nfs/dbraw/zinc/39/49/07/605394907.db2.gz	IYVFURQZULLSOE-IBGZPJMESA-N	-1	1	384.480	2.373	20	30		GEEDMM
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1	ZINC000820092052	606154885	/nfs/dbraw/zinc/15/48/85/606154885.db2.gz	GAVYNWASGPUOMS-UHFFFAOYSA-N	-1	1	379.428	2.162	20	30		GEEDMM
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1	ZINC000820092052	606154887	/nfs/dbraw/zinc/15/48/87/606154887.db2.gz	GAVYNWASGPUOMS-UHFFFAOYSA-N	-1	1	379.428	2.162	20	30		GEEDMM
C=CCc1ccc(OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(OC)c1	ZINC000819758650	606292404	/nfs/dbraw/zinc/29/24/04/606292404.db2.gz	DCQOJSUEEIHDAJ-UHFFFAOYSA-N	-1	1	381.392	2.327	20	30		GEEDMM
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1	ZINC000822802140	606521717	/nfs/dbraw/zinc/52/17/17/606521717.db2.gz	WGFJQDLONOQYHC-AWEZNQCLSA-N	-1	1	397.439	2.090	20	30		GEEDMM
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1	ZINC000822802140	606521719	/nfs/dbraw/zinc/52/17/19/606521719.db2.gz	WGFJQDLONOQYHC-AWEZNQCLSA-N	-1	1	397.439	2.090	20	30		GEEDMM
CC(C)c1nc(-c2nn[nH]n2)c(N=NC(C)c2cccc(OCC(=O)[O-])c2)o1	ZINC000819783401	606856392	/nfs/dbraw/zinc/85/63/92/606856392.db2.gz	WPIDCIQKSKAUNE-UHFFFAOYSA-N	-1	1	385.384	2.278	20	30		GEEDMM
C=CCNc1nnc(Sc2nnc(CC)c(CC)c2-c2nn[n-]n2)s1	ZINC000819750616	606916583	/nfs/dbraw/zinc/91/65/83/606916583.db2.gz	HJPKXHOCEJZQAF-UHFFFAOYSA-N	-1	1	375.487	2.382	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)c1ccccc1C#N	ZINC000822006202	606969752	/nfs/dbraw/zinc/96/97/52/606969752.db2.gz	YWTDXCXQYRLTNS-UHFFFAOYSA-N	-1	1	377.408	2.051	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1cc(F)ccc1C#N	ZINC000822009988	607075674	/nfs/dbraw/zinc/07/56/74/607075674.db2.gz	JGFJHZQTBPPLDY-UHFFFAOYSA-N	-1	1	396.382	2.271	20	30		GEEDMM
COC(=O)[C@@H](C)n1cccc1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1	ZINC000826104338	608388524	/nfs/dbraw/zinc/38/85/24/608388524.db2.gz	UTMJMGCXJXHWGG-LLVKDONJSA-N	-1	1	386.416	2.035	20	30		GEEDMM
C=CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1cccc(OC)c1	ZINC000823937336	608434013	/nfs/dbraw/zinc/43/40/13/608434013.db2.gz	SMTWNURDXJNOTB-UHFFFAOYSA-N	-1	1	393.436	2.261	20	30		GEEDMM
C=CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1cccc(OC)c1	ZINC000823937336	608434014	/nfs/dbraw/zinc/43/40/14/608434014.db2.gz	SMTWNURDXJNOTB-UHFFFAOYSA-N	-1	1	393.436	2.261	20	30		GEEDMM
Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCC(=O)NC2(C#N)CCC2)n1	ZINC000826262245	608550930	/nfs/dbraw/zinc/55/09/30/608550930.db2.gz	JCGXGJWFINIXJW-UHFFFAOYSA-N	-1	1	397.386	2.244	20	30		GEEDMM
COc1cc(Br)ccc1CN=Nc1oc(C)nc1-c1nn[n-]n1	ZINC000826176865	609374395	/nfs/dbraw/zinc/37/43/95/609374395.db2.gz	HTCCPBKUJJRCFG-UHFFFAOYSA-N	-1	1	378.190	2.380	20	30		GEEDMM
C[C@H](Nc1ccc(C#N)nn1)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1	ZINC000824656877	609593879	/nfs/dbraw/zinc/59/38/79/609593879.db2.gz	NOBPIAVUPNTOSN-LBPRGKRZSA-N	-1	1	399.422	2.104	20	30		GEEDMM
C[C@H](Nc1ccc(C#N)nn1)c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1	ZINC000824656877	609593881	/nfs/dbraw/zinc/59/38/81/609593881.db2.gz	NOBPIAVUPNTOSN-LBPRGKRZSA-N	-1	1	399.422	2.104	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)cc1Br	ZINC000451236697	650097206	/nfs/dbraw/zinc/09/72/06/650097206.db2.gz	ARXLTTNNLAOZHA-ZANVPECISA-N	-1	1	391.262	2.289	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@@H]2C2CC2)cc1Br	ZINC000451350188	650106043	/nfs/dbraw/zinc/10/60/43/650106043.db2.gz	CGXLNSCWJXFWEQ-GXTWGEPZSA-N	-1	1	389.246	2.306	20	30		GEEDMM
COC[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C1CC1	ZINC000451350604	650106354	/nfs/dbraw/zinc/10/63/54/650106354.db2.gz	TXLGPWKUEGAJAO-LBPRGKRZSA-N	-1	1	377.235	2.163	20	30		GEEDMM
CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(Br)cc1[O-]	ZINC000540454966	650358624	/nfs/dbraw/zinc/35/86/24/650358624.db2.gz	ROWPNMDDEOSQNC-UHFFFAOYSA-N	-1	1	378.230	2.036	20	30		GEEDMM
CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C	ZINC000507983297	650471688	/nfs/dbraw/zinc/47/16/88/650471688.db2.gz	ILRDFQXETPPPCQ-UHFFFAOYSA-N	-1	1	379.463	2.113	20	30		GEEDMM
COC(=O)[C@@H]([N-]S(=O)(=O)N(C)[C@H](C)CC#N)c1ccc(Cl)cc1Cl	ZINC000509220481	650490340	/nfs/dbraw/zinc/49/03/40/650490340.db2.gz	XEXWYXCDNIPEKV-RNCFNFMXSA-N	-1	1	394.280	2.276	20	30		GEEDMM
COC(=O)[C@@H]([N-]S(=O)(=O)N(C)[C@@H](C)CC#N)c1ccc(Cl)cc1Cl	ZINC000509220483	650490372	/nfs/dbraw/zinc/49/03/72/650490372.db2.gz	XEXWYXCDNIPEKV-ZANVPECISA-N	-1	1	394.280	2.276	20	30		GEEDMM
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1	ZINC000066081110	642896611	/nfs/dbraw/zinc/89/66/11/642896611.db2.gz	MSVJMVZWAURXIV-ZETCQYMHSA-N	-1	1	378.332	2.283	20	30		GEEDMM
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1	ZINC000066081110	642896617	/nfs/dbraw/zinc/89/66/17/642896617.db2.gz	MSVJMVZWAURXIV-ZETCQYMHSA-N	-1	1	378.332	2.283	20	30		GEEDMM
O=C(NC[C@]1(O)CCSC1)c1ccc(I)c([O-])c1	ZINC000330841263	647355700	/nfs/dbraw/zinc/35/57/00/647355700.db2.gz	AMXLNBBQKSXEFQ-GFCCVEGCSA-N	-1	1	379.219	2.169	20	30		GEEDMM
N#Cc1ncn(C2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)n1	ZINC000369379570	647775259	/nfs/dbraw/zinc/77/52/59/647775259.db2.gz	MUIMLTAKGSNRDQ-UHFFFAOYSA-N	-1	1	376.214	2.095	20	30		GEEDMM
CCC[C@H](C)NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)[C@@H](C#N)CC)c1	ZINC000416966788	648220152	/nfs/dbraw/zinc/22/01/52/648220152.db2.gz	YSDBWGDNOSRKSC-XJKSGUPXSA-N	-1	1	387.527	2.338	20	30		GEEDMM
C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000554810706	651213851	/nfs/dbraw/zinc/21/38/51/651213851.db2.gz	VFXHQVRFRFRCFO-SECBINFHSA-N	-1	1	387.234	2.023	20	30		GEEDMM
Cn1nc(Br)c2c1ncnc2N=NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000726740863	651500854	/nfs/dbraw/zinc/50/08/54/651500854.db2.gz	FZASJQFGYFFWKZ-UHFFFAOYSA-N	-1	1	392.173	2.186	20	30		GEEDMM
Cn1nc(Br)c2c1nc[nH+]c2[N-]N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000726740863	651500857	/nfs/dbraw/zinc/50/08/57/651500857.db2.gz	FZASJQFGYFFWKZ-UHFFFAOYSA-N	-1	1	392.173	2.186	20	30		GEEDMM
COc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c(Cl)c1OC	ZINC000730433726	651600900	/nfs/dbraw/zinc/60/09/00/651600900.db2.gz	SUNLDEXNJFUGFC-UHFFFAOYSA-N	-1	1	379.825	2.430	20	30		GEEDMM
CC#CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F	ZINC000645883544	651665756	/nfs/dbraw/zinc/66/57/56/651665756.db2.gz	BHCGOUOPVMQQED-MRVPVSSYSA-N	-1	1	384.654	2.294	20	30		GEEDMM
C=C(Cl)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br	ZINC000736342431	651818646	/nfs/dbraw/zinc/81/86/46/651818646.db2.gz	RBDSRCLOSQTRDM-UHFFFAOYSA-N	-1	1	386.626	2.406	20	30		GEEDMM
O=[N+]([O-])c1ccc(Cl)cc1C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000748253714	652196701	/nfs/dbraw/zinc/19/67/01/652196701.db2.gz	RWSKLFYNQYAYBR-UHFFFAOYSA-N	-1	1	384.757	2.469	20	30		GEEDMM
CO[C@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1)[C@@H]1CCOC1	ZINC000594698306	652674577	/nfs/dbraw/zinc/67/45/77/652674577.db2.gz	XPATVHKXKMGVBC-QMTHXVAHSA-N	-1	1	389.271	2.114	20	30		GEEDMM
CO[C@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1)[C@H]1CCOC1	ZINC000594698305	652674669	/nfs/dbraw/zinc/67/46/69/652674669.db2.gz	XPATVHKXKMGVBC-IINYFYTJSA-N	-1	1	389.271	2.114	20	30		GEEDMM
Cc1cc(Br)cc(C=Nn2c(=O)cn[n-]c2=S)c1OC(F)F	ZINC000766475748	652881919	/nfs/dbraw/zinc/88/19/19/652881919.db2.gz	YKVGEWLIBNDMAC-UHFFFAOYSA-N	-1	1	391.197	2.482	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)[C@H]1CCCO1	ZINC000773058838	653178033	/nfs/dbraw/zinc/17/80/33/653178033.db2.gz	VEROKQRORXXKSW-NWDGAFQWSA-N	-1	1	380.210	2.186	20	30		GEEDMM
C#CCCCC[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br	ZINC000770262840	653205623	/nfs/dbraw/zinc/20/56/23/653205623.db2.gz	NRYUTQGCGKZZEO-UHFFFAOYSA-N	-1	1	392.246	2.457	20	30		GEEDMM
C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F	ZINC000770378485	653211077	/nfs/dbraw/zinc/21/10/77/653211077.db2.gz	CLLZHEYJXKSCPX-QMMMGPOBSA-N	-1	1	378.219	2.065	20	30		GEEDMM
C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br	ZINC000770390975	653211134	/nfs/dbraw/zinc/21/11/34/653211134.db2.gz	PIZUSYVAMUCMHO-JTQLQIEISA-N	-1	1	392.246	2.455	20	30		GEEDMM
CON=CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-]	ZINC000809705901	653291069	/nfs/dbraw/zinc/29/10/69/653291069.db2.gz	DDFDVSTVBZUJSU-UHFFFAOYSA-N	-1	1	383.813	2.417	20	30		GEEDMM
Cc1cc(=O)[n-]c(NN=Cc2cc(I)cc([N+](=O)[O-])c2)n1	ZINC000811629411	653399470	/nfs/dbraw/zinc/39/94/70/653399470.db2.gz	ZUVHPLXUKUUQJP-UHFFFAOYSA-N	-1	1	399.148	2.449	20	30		GEEDMM
Cc1cc([O-])c(C(=O)C=Cc2cn3ccc(Br)cc3n2)c(=O)o1	ZINC000811684699	653401737	/nfs/dbraw/zinc/40/17/37/653401737.db2.gz	BFRAUAJJBRRARO-FAAWYNLUSA-N	-1	1	375.178	2.325	20	30		GEEDMM
CC(N=Nc1ccc(S(=O)(=O)NC2CC2)cn1)c1csc(C(=O)[O-])c1	ZINC000814799523	653639652	/nfs/dbraw/zinc/63/96/52/653639652.db2.gz	KQSOPBWBYSFWEY-UHFFFAOYSA-N	-1	1	380.451	2.118	20	30		GEEDMM
CSCc1cnc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1	ZINC000814822263	653639951	/nfs/dbraw/zinc/63/99/51/653639951.db2.gz	KOBUNYBWWCGONN-UHFFFAOYSA-N	-1	1	386.480	2.368	20	30		GEEDMM
C[C@@H]1CN(C(=O)c2ccc(I)cc2[O-])C[C@@H](C)N1CC#N	ZINC000880452863	653706225	/nfs/dbraw/zinc/70/62/25/653706225.db2.gz	RQBBCWHAQUPJCN-GHMZBOCLSA-N	-1	1	399.232	2.055	20	30		GEEDMM
C[C@H](CC#N)[N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1	ZINC000866673842	653809431	/nfs/dbraw/zinc/80/94/31/653809431.db2.gz	JQRHADSRPUBJBI-AYLIAGHASA-N	-1	1	380.289	2.042	20	30		GEEDMM
C=C(Cl)C[C@H]([N-]S(=O)(=O)CCc1noc2ccccc12)C(=O)OCC	ZINC000867589480	653957364	/nfs/dbraw/zinc/95/73/64/653957364.db2.gz	OCNGJQUBVGMAKB-AWEZNQCLSA-N	-1	1	386.857	2.364	20	30		GEEDMM
C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)OCC	ZINC000867591692	653957825	/nfs/dbraw/zinc/95/78/25/653957825.db2.gz	BCKBUCIANXNEFL-JTQLQIEISA-N	-1	1	386.779	2.453	20	30		GEEDMM
C=CCCOCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795896896	653975893	/nfs/dbraw/zinc/97/58/93/653975893.db2.gz	HMRCWHBBYYRMJT-UHFFFAOYSA-N	-1	1	397.222	2.367	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@](O)(c2ccccc2)C(F)(F)F)s1	ZINC000797826557	654043334	/nfs/dbraw/zinc/04/33/34/654043334.db2.gz	DTFPZFQLXXWDJR-ZDUSSCGKSA-N	-1	1	376.381	2.348	20	30		GEEDMM
CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1ncc(Br)cc1[O-]	ZINC000901164795	654112818	/nfs/dbraw/zinc/11/28/18/654112818.db2.gz	DGYQQCILUWTZBR-UHFFFAOYSA-N	-1	1	398.286	2.403	20	30		GEEDMM
Cc1cc([O-])c(C(=O)C=Cc2cc(Br)c3c(c2)OCCO3)c(=O)o1	ZINC000917516984	654126789	/nfs/dbraw/zinc/12/67/89/654126789.db2.gz	GVHNTQFNBOYIPB-FAAWYNLUSA-N	-1	1	393.189	2.449	20	30		GEEDMM
CC(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000830614814	654129689	/nfs/dbraw/zinc/12/96/89/654129689.db2.gz	OEAIOBLEPAXSKK-JTQLQIEISA-N	-1	1	379.251	2.145	20	30		GEEDMM
N#CC[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(F)(F)F	ZINC000901772394	654148109	/nfs/dbraw/zinc/14/81/09/654148109.db2.gz	NXFJRRQVRSKQHT-JTQLQIEISA-N	-1	1	382.161	2.444	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CCOCC1	ZINC000851827023	654184744	/nfs/dbraw/zinc/18/47/44/654184744.db2.gz	FFQNNOOPNNBWHX-GFCCVEGCSA-N	-1	1	381.347	2.431	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CCOCC1	ZINC000851827024	654184813	/nfs/dbraw/zinc/18/48/13/654184813.db2.gz	FFQNNOOPNNBWHX-LBPRGKRZSA-N	-1	1	381.347	2.431	20	30		GEEDMM
C=CCCC[C@@H]([N-]S(=O)(=O)Cc1ncsc1Br)C(=O)OC	ZINC000921383141	654257779	/nfs/dbraw/zinc/25/77/79/654257779.db2.gz	PVYLGEIBPVZMFK-SECBINFHSA-N	-1	1	397.316	2.223	20	30		GEEDMM
C=CCCC[C@H]([N-]S(=O)(=O)Cc1ncsc1Br)C(=O)OC	ZINC000921383142	654257857	/nfs/dbraw/zinc/25/78/57/654257857.db2.gz	PVYLGEIBPVZMFK-VIFPVBQESA-N	-1	1	397.316	2.223	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)o1	ZINC000805012949	654335294	/nfs/dbraw/zinc/33/52/94/654335294.db2.gz	XHCSZWLEACCENW-GFCCVEGCSA-N	-1	1	376.312	2.062	20	30		GEEDMM
C#C[C@@H](NC(=O)c1cc(I)ccc1[O-])C1CCOCC1	ZINC000856105948	654461736	/nfs/dbraw/zinc/46/17/36/654461736.db2.gz	IETADKIPEXBBBU-CYBMUJFWSA-N	-1	1	385.201	2.155	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)COc2cccc(Cl)c2Cl)o1	ZINC000557820377	532374420	/nfs/dbraw/zinc/37/44/20/532374420.db2.gz	LHJLANPPDREHGT-VIFPVBQESA-N	-1	1	391.232	2.176	20	30		GEEDMM
C[C@@H](C#N)[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl	ZINC000432352227	532535357	/nfs/dbraw/zinc/53/53/57/532535357.db2.gz	WSWTZUQRHDNRJU-BYPYZUCNSA-N	-1	1	380.607	2.140	20	30		GEEDMM
C=CCOC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)OC	ZINC000435425478	532617426	/nfs/dbraw/zinc/61/74/26/532617426.db2.gz	DEGZSHIWUKNQMO-NSHDSACASA-N	-1	1	386.228	2.155	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]CCc2nc(-c3ccc(Cl)cc3)no2)o1	ZINC000376244265	532604708	/nfs/dbraw/zinc/60/47/08/532604708.db2.gz	TYJYAOCRWSXUKU-UHFFFAOYSA-N	-1	1	378.797	2.376	20	30		GEEDMM
COc1cc(-c2noc([C@@H](C)n3cnc(C#N)n3)n2)cc(Br)c1[O-]	ZINC000436878598	532645790	/nfs/dbraw/zinc/64/57/90/532645790.db2.gz	KKRPNMHLNKJFRG-SSDOTTSWSA-N	-1	1	391.185	2.286	20	30		GEEDMM
CCN(CCC#N)S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Cl)cc1Cl	ZINC000409510374	532722594	/nfs/dbraw/zinc/72/25/94/532722594.db2.gz	AVYOKAYDEKTMAU-CYBMUJFWSA-N	-1	1	394.280	2.277	20	30		GEEDMM
Cc1nc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)c(Br)n1C	ZINC000286726046	532764784	/nfs/dbraw/zinc/76/47/84/532764784.db2.gz	SOVVJTDWENSQBC-SECBINFHSA-N	-1	1	383.271	2.402	20	30		GEEDMM
COc1ccc(Cl)cc1N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000286754766	532767176	/nfs/dbraw/zinc/76/71/76/532767176.db2.gz	DJMNODLRRXRYFF-GFCCVEGCSA-N	-1	1	381.841	2.370	20	30		GEEDMM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000452032177	532771183	/nfs/dbraw/zinc/77/11/83/532771183.db2.gz	VSLDDQLSFPGELV-JTQLQIEISA-N	-1	1	377.235	2.065	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC23CCOCC3)cc1Br	ZINC000333135847	532864810	/nfs/dbraw/zinc/86/48/10/532864810.db2.gz	XVCBYLXXXGULLQ-CYBMUJFWSA-N	-1	1	389.246	2.307	20	30		GEEDMM
N#Cc1ccccc1N1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1	ZINC000737727962	598960749	/nfs/dbraw/zinc/96/07/49/598960749.db2.gz	VHZNHMRLAZRKFS-UHFFFAOYSA-N	-1	1	397.446	2.398	20	30		GEEDMM
N#Cc1ccccc1N1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1	ZINC000737727962	598960752	/nfs/dbraw/zinc/96/07/52/598960752.db2.gz	VHZNHMRLAZRKFS-UHFFFAOYSA-N	-1	1	397.446	2.398	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@]1(C#N)CCC[C@@H](C)C1	ZINC000737199671	599202438	/nfs/dbraw/zinc/20/24/38/599202438.db2.gz	IUTKRWHAYYBTKW-NSPYISDASA-N	-1	1	383.456	2.105	20	30		GEEDMM
CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000736338209	598254150	/nfs/dbraw/zinc/25/41/50/598254150.db2.gz	PWLOKNOICIFXGY-UHFFFAOYSA-N	-1	1	380.449	2.346	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)c1ccc(C#N)cc1F	ZINC000737200941	598310721	/nfs/dbraw/zinc/31/07/21/598310721.db2.gz	OLHCUFXBPAXAPX-UHFFFAOYSA-N	-1	1	395.398	2.191	20	30		GEEDMM
CCOc1cc(C#N)ccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000736625950	598687063	/nfs/dbraw/zinc/68/70/63/598687063.db2.gz	HTFKOCUWWXXDSE-UHFFFAOYSA-N	-1	1	389.368	2.044	20	30		GEEDMM
C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000735419014	598692653	/nfs/dbraw/zinc/69/26/53/598692653.db2.gz	OOUZTNOVHFUOSA-UHFFFAOYSA-N	-1	1	387.440	2.425	20	30		GEEDMM
C=CCCOC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000735413248	598784376	/nfs/dbraw/zinc/78/43/76/598784376.db2.gz	QWWYDZANTWQIFH-UHFFFAOYSA-N	-1	1	384.396	2.450	20	30		GEEDMM
CN=c1scc(-c2ccc(OC)cc2)n1N=Cc1ccc(-c2nnn[n-]2)o1	ZINC000736866220	599323816	/nfs/dbraw/zinc/32/38/16/599323816.db2.gz	FYZKQRNIHFOSBH-UHFFFAOYSA-N	-1	1	381.421	2.411	20	30		GEEDMM
CN=c1scc(-c2ccc(OC)cc2)n1N=Cc1ccc(-c2nn[n-]n2)o1	ZINC000736866220	599323819	/nfs/dbraw/zinc/32/38/19/599323819.db2.gz	FYZKQRNIHFOSBH-UHFFFAOYSA-N	-1	1	381.421	2.411	20	30		GEEDMM
CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2cccc(C#N)c2)cc1-c1nn[n-]n1	ZINC000821971096	599552993	/nfs/dbraw/zinc/55/29/93/599552993.db2.gz	XOYDDBMHYJFUFN-SECBINFHSA-N	-1	1	381.421	2.052	20	30		GEEDMM
CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000830609023	600727843	/nfs/dbraw/zinc/72/78/43/600727843.db2.gz	QNKKOZPTXNDHNR-UHFFFAOYSA-N	-1	1	393.490	2.070	20	30		GEEDMM
Cn1cc(S(=O)(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1C(=O)[O-]	ZINC000833055523	600830500	/nfs/dbraw/zinc/83/05/00/600830500.db2.gz	OJFMPMHKGBISQP-UHFFFAOYSA-N	-1	1	381.413	2.319	20	30		GEEDMM
Cn1cc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)cc1C(=O)[O-]	ZINC000833050508	601575415	/nfs/dbraw/zinc/57/54/15/601575415.db2.gz	FZIUEZUHIDKBQX-UHFFFAOYSA-N	-1	1	384.211	2.158	20	30		GEEDMM
Cc1cccc(C[C@@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C(=O)[O-])c1	ZINC000548550314	601981088	/nfs/dbraw/zinc/98/10/88/601981088.db2.gz	UQSZRPPEOKVXDB-AWEZNQCLSA-N	-1	1	394.399	2.367	20	30		GEEDMM
C=CCn1c(=O)c2ccccc2nc1SCc1ccnc(-c2nnn[n-]2)c1	ZINC000823937407	607539980	/nfs/dbraw/zinc/53/99/80/607539980.db2.gz	WNEIAWADCUFLCL-UHFFFAOYSA-N	-1	1	377.433	2.450	20	30		GEEDMM
C=CCn1c(=O)c2ccccc2nc1SCc1ccnc(-c2nn[n-]n2)c1	ZINC000823937407	607539982	/nfs/dbraw/zinc/53/99/82/607539982.db2.gz	WNEIAWADCUFLCL-UHFFFAOYSA-N	-1	1	377.433	2.450	20	30		GEEDMM
C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])c1	ZINC000738491597	602652589	/nfs/dbraw/zinc/65/25/89/602652589.db2.gz	NFDKKEIBDMULNB-UHFFFAOYSA-N	-1	1	375.406	2.493	20	30		GEEDMM
C=CCOc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1	ZINC000823931839	607653909	/nfs/dbraw/zinc/65/39/09/607653909.db2.gz	HFNDGDJBOWHGHH-UHFFFAOYSA-N	-1	1	376.369	2.338	20	30		GEEDMM
C=CCOc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1	ZINC000823931839	607653911	/nfs/dbraw/zinc/65/39/11/607653911.db2.gz	HFNDGDJBOWHGHH-UHFFFAOYSA-N	-1	1	376.369	2.338	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)NC[C@H](NC(=O)[O-])c2ccccc2)c(F)c1	ZINC000831114678	603917025	/nfs/dbraw/zinc/91/70/25/603917025.db2.gz	QNPITYSLTKCPSS-AWEZNQCLSA-N	-1	1	381.360	2.124	20	30		GEEDMM
N#CCC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1	ZINC000826381518	607679934	/nfs/dbraw/zinc/67/99/34/607679934.db2.gz	OSYMHMHYZNIBMJ-CQSZACIVSA-N	-1	1	386.412	2.329	20	30		GEEDMM
N#CCC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1	ZINC000826381518	607679935	/nfs/dbraw/zinc/67/99/35/607679935.db2.gz	OSYMHMHYZNIBMJ-CQSZACIVSA-N	-1	1	386.412	2.329	20	30		GEEDMM
N#CCC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1	ZINC000826381517	607679972	/nfs/dbraw/zinc/67/99/72/607679972.db2.gz	OSYMHMHYZNIBMJ-AWEZNQCLSA-N	-1	1	386.412	2.329	20	30		GEEDMM
N#CCC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1	ZINC000826381517	607679974	/nfs/dbraw/zinc/67/99/74/607679974.db2.gz	OSYMHMHYZNIBMJ-AWEZNQCLSA-N	-1	1	386.412	2.329	20	30		GEEDMM
C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)c1cn(CCC#N)c2ccccc12	ZINC000833628170	605199050	/nfs/dbraw/zinc/19/90/50/605199050.db2.gz	CKKXSBNIXBSUPU-INIZCTEOSA-N	-1	1	382.464	2.218	20	30		GEEDMM
C=CCOc1ccc(/C=C\C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc1OC	ZINC000833378202	605276126	/nfs/dbraw/zinc/27/61/26/605276126.db2.gz	ZINKQCQJGWYAOH-IOBAAEILSA-N	-1	1	388.464	2.281	20	30		GEEDMM
CC1=C(C(=O)[O-])C[C@H](CN2CCN(c3c(C#N)cnc4ccccc43)CC2)O1	ZINC000833581518	605323237	/nfs/dbraw/zinc/32/32/37/605323237.db2.gz	XSIXOLASAOPBPF-MRXNPFEDSA-N	-1	1	378.432	2.376	20	30		GEEDMM
O=C([O-])N1CC[C@@]2(C1)CC(=NNc1ncnc3nc[nH]c31)c1ccccc1O2	ZINC000834088437	605626596	/nfs/dbraw/zinc/62/65/96/605626596.db2.gz	XCTGIDREFWQLQG-SFHVURJKSA-N	-1	1	379.380	2.074	20	30		GEEDMM
C=C[C@@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000819729806	606815016	/nfs/dbraw/zinc/81/50/16/606815016.db2.gz	NCJRPYMOQVSCGE-LLVKDONJSA-N	-1	1	383.412	2.022	20	30		GEEDMM
N#Cc1cc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)ccc1F	ZINC000822818573	606964117	/nfs/dbraw/zinc/96/41/17/606964117.db2.gz	CQULLNCLEGVASL-UHFFFAOYSA-N	-1	1	394.414	2.065	20	30		GEEDMM
Cc1cc(C)n(N=Cc2ccc(OC(F)F)c(F)c2)c(=O)c1-c1nn[n-]n1	ZINC000826265708	607843875	/nfs/dbraw/zinc/84/38/75/607843875.db2.gz	JZKUZPQAIGLMGK-UHFFFAOYSA-N	-1	1	378.314	2.268	20	30		GEEDMM
Cc1ccc(-c2nc(C=Nn3c(C)cc(C)c(-c4nn[n-]n4)c3=O)co2)cc1	ZINC000826273579	607885385	/nfs/dbraw/zinc/88/53/85/607885385.db2.gz	KHKQSSUZDJTIHA-UHFFFAOYSA-N	-1	1	375.392	2.491	20	30		GEEDMM
C=CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccccc1OC	ZINC000823937276	608392810	/nfs/dbraw/zinc/39/28/10/608392810.db2.gz	PTAFCOGJEROALK-UHFFFAOYSA-N	-1	1	393.436	2.261	20	30		GEEDMM
C=CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccccc1OC	ZINC000823937276	608392812	/nfs/dbraw/zinc/39/28/12/608392812.db2.gz	PTAFCOGJEROALK-UHFFFAOYSA-N	-1	1	393.436	2.261	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2ccc(C(F)(F)F)cc2Cl)nc1-c1nn[nH]n1	ZINC000826382530	608569587	/nfs/dbraw/zinc/56/95/87/608569587.db2.gz	IIHYTUSKGBTWDW-UHFFFAOYSA-N	-1	1	382.693	2.386	20	30		GEEDMM
N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)c(F)c1	ZINC000826386014	609531431	/nfs/dbraw/zinc/53/14/31/609531431.db2.gz	LJRLNGWWEOWNNJ-UHFFFAOYSA-N	-1	1	378.776	2.332	20	30		GEEDMM
C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(CNc2ccc(C#N)nn2)cc1	ZINC000824650991	609593606	/nfs/dbraw/zinc/59/36/06/609593606.db2.gz	WRIJLZQOJASEBS-GFCCVEGCSA-N	-1	1	399.422	2.104	20	30		GEEDMM
C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(CNc2ccc(C#N)nn2)cc1	ZINC000824650991	609593608	/nfs/dbraw/zinc/59/36/08/609593608.db2.gz	WRIJLZQOJASEBS-GFCCVEGCSA-N	-1	1	399.422	2.104	20	30		GEEDMM
CC[C@](C)([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(=O)OC	ZINC000451150650	650090616	/nfs/dbraw/zinc/09/06/16/650090616.db2.gz	UCSZUDUOQZGJQM-ZDUSSCGKSA-N	-1	1	393.234	2.080	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)CC2CCC2)cc1Br	ZINC000451497825	650121160	/nfs/dbraw/zinc/12/11/60/650121160.db2.gz	VXNIVJNBNFIIJI-LLVKDONJSA-N	-1	1	391.262	2.289	20	30		GEEDMM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(CCS(C)(=O)=O)cc1	ZINC000161946266	644226799	/nfs/dbraw/zinc/22/67/99/644226799.db2.gz	URJXYIKAOLJGMW-UHFFFAOYSA-N	-1	1	378.475	2.255	20	30		GEEDMM
Cc1nsc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)c1C#N	ZINC000281080161	646744228	/nfs/dbraw/zinc/74/42/28/646744228.db2.gz	CLUGHDZMVQBJKE-UHFFFAOYSA-N	-1	1	380.451	2.261	20	30		GEEDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)o1	ZINC000609287060	651615009	/nfs/dbraw/zinc/61/50/09/651615009.db2.gz	DIWQZCFMSGWOGL-SNVBAGLBSA-N	-1	1	388.232	2.489	20	30		GEEDMM
C#CCOc1cccc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c1	ZINC000734807486	651755061	/nfs/dbraw/zinc/75/50/61/651755061.db2.gz	RVMCSFOWXFUUJW-UHFFFAOYSA-N	-1	1	379.459	2.044	20	30		GEEDMM
Cc1ccc(Br)cc1NC(=O)C[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000572670929	651904441	/nfs/dbraw/zinc/90/44/41/651904441.db2.gz	HPBUIIHYAPNOPO-UHFFFAOYSA-N	-1	1	398.238	2.139	20	30		GEEDMM
N#Cc1cc([O-])cc(C(=O)NCCNC(=O)c2ccc(Br)cc2)c1	ZINC000589169900	652560899	/nfs/dbraw/zinc/56/08/99/652560899.db2.gz	SFKSZNMLOUXPOH-UHFFFAOYSA-N	-1	1	388.221	2.186	20	30		GEEDMM
C#CCOc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)CC)c2)cc1	ZINC000760363836	652605523	/nfs/dbraw/zinc/60/55/23/652605523.db2.gz	UZEXXBRNPKOVKT-UHFFFAOYSA-N	-1	1	379.459	2.293	20	30		GEEDMM
CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F	ZINC000594698786	652675252	/nfs/dbraw/zinc/67/52/52/652675252.db2.gz	GPVFLEYHSOSJPA-LLVKDONJSA-N	-1	1	384.763	2.374	20	30		GEEDMM
O=c1nc(NN=Cc2ccc3ccc(Br)cc3n2)nc2[nH][n-]cc1-2	ZINC000771560322	653115581	/nfs/dbraw/zinc/11/55/81/653115581.db2.gz	POIAJWJXBACKMG-UHFFFAOYSA-N	-1	1	384.197	2.189	20	30		GEEDMM
O=c1nc(NN=Cc2ccc(Br)c3cccnc23)nc2[nH][n-]cc1-2	ZINC000777885455	653410989	/nfs/dbraw/zinc/41/09/89/653410989.db2.gz	HSKLVXPIWNUXOD-UHFFFAOYSA-N	-1	1	384.197	2.189	20	30		GEEDMM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000859425888	653462972	/nfs/dbraw/zinc/46/29/72/653462972.db2.gz	WUCOIKKSTBSMRA-NSHDSACASA-N	-1	1	389.246	2.167	20	30		GEEDMM
O=c1nc(NN=C2COc3c2cc(Cl)cc3Br)nc2[nH][n-]cc1-2	ZINC000814842657	653640249	/nfs/dbraw/zinc/64/02/49/653640249.db2.gz	DINOZNGOUGADDI-UHFFFAOYSA-N	-1	1	395.604	2.057	20	30		GEEDMM
COC(=O)c1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)c1	ZINC000789127195	653769678	/nfs/dbraw/zinc/76/96/78/653769678.db2.gz	LJUZAKLVYKUOST-NFAHFFEMSA-N	-1	1	393.189	2.464	20	30		GEEDMM
CS(C)(=O)=NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000821103701	653790629	/nfs/dbraw/zinc/79/06/29/653790629.db2.gz	XLZQKXWEMVDQHO-UHFFFAOYSA-N	-1	1	377.447	2.227	20	30		GEEDMM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)C(F)(F)F)c1	ZINC000882781575	653807364	/nfs/dbraw/zinc/80/73/64/653807364.db2.gz	PWLDJPJZAGQPJC-SECBINFHSA-N	-1	1	378.706	2.048	20	30		GEEDMM
CCC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(Cl)c(S(=O)(=O)NC)c1	ZINC000794846198	653922353	/nfs/dbraw/zinc/92/23/53/653922353.db2.gz	YLGAIBVKRFXHOA-UHFFFAOYSA-N	-1	1	383.861	2.278	20	30		GEEDMM
CCOC(=O)c1cc(S(=O)(=O)[N-]C2(C#N)CC2)c(F)cc1Br	ZINC000795565899	653958948	/nfs/dbraw/zinc/95/89/48/653958948.db2.gz	ZWAAAFNLTRAKQB-UHFFFAOYSA-N	-1	1	391.218	2.099	20	30		GEEDMM
COCC[C@](C)(C#N)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C	ZINC000795620710	653961126	/nfs/dbraw/zinc/96/11/26/653961126.db2.gz	PSYRCJLWELWWSM-CYBMUJFWSA-N	-1	1	380.875	2.094	20	30		GEEDMM
C=C(C)COCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795881308	653974686	/nfs/dbraw/zinc/97/46/86/653974686.db2.gz	XSISFFOJEPAEHU-UHFFFAOYSA-N	-1	1	397.222	2.367	20	30		GEEDMM
N#CC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1	ZINC000795970031	653980786	/nfs/dbraw/zinc/98/07/86/653980786.db2.gz	DVQRDVYYTCUTCU-UHFFFAOYSA-N	-1	1	378.179	2.078	20	30		GEEDMM
C#C[C@@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F)C(C)(C)C	ZINC000831547412	654190789	/nfs/dbraw/zinc/19/07/89/654190789.db2.gz	PKTJPZYKDYGRDC-OAHLLOKOSA-N	-1	1	390.502	2.304	20	30		GEEDMM
COC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1ccc(C(F)(F)F)cc1	ZINC000921853380	654331232	/nfs/dbraw/zinc/33/12/32/654331232.db2.gz	GHHMWDJDFKEWOJ-GFCCVEGCSA-N	-1	1	378.372	2.389	20	30		GEEDMM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000425179018	532369361	/nfs/dbraw/zinc/36/93/61/532369361.db2.gz	OJGTYMYPVHYCBM-ZANVPECISA-N	-1	1	389.246	2.329	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@H](CO)CC2)cc1Br	ZINC000295045970	532399693	/nfs/dbraw/zinc/39/96/93/532399693.db2.gz	ATBFRVAGZCHMIR-HOMQSWHASA-N	-1	1	391.262	2.289	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCCCCCO)cc1Br	ZINC000295230306	532423044	/nfs/dbraw/zinc/42/30/44/532423044.db2.gz	WSWGAJXRXFLZIH-UHFFFAOYSA-N	-1	1	379.251	2.291	20	30		GEEDMM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CCC#N)C(C)C)c(F)c1	ZINC000517858210	532428943	/nfs/dbraw/zinc/42/89/43/532428943.db2.gz	XUJIZGMDLAJIEL-UHFFFAOYSA-N	-1	1	391.490	2.290	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)cc1Br	ZINC000432778028	532545553	/nfs/dbraw/zinc/54/55/53/532545553.db2.gz	CQTUDJAZGNBIBE-UHFFFAOYSA-N	-1	1	392.234	2.365	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1Br	ZINC000432766194	532544559	/nfs/dbraw/zinc/54/45/59/532544559.db2.gz	OUZNQZPDDXMKAK-UHFFFAOYSA-N	-1	1	380.223	2.220	20	30		GEEDMM
C=CCOCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000594851079	532534222	/nfs/dbraw/zinc/53/42/22/532534222.db2.gz	WVIXNOSDAGDJQI-UHFFFAOYSA-N	-1	1	379.232	2.228	20	30		GEEDMM
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1	ZINC000433603379	532573123	/nfs/dbraw/zinc/57/31/23/532573123.db2.gz	IUXRWDVZSWXYHW-UHFFFAOYSA-N	-1	1	383.426	2.178	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)o1	ZINC000376350910	532609393	/nfs/dbraw/zinc/60/93/93/532609393.db2.gz	RQRSQWNFBPWOOZ-CYBMUJFWSA-N	-1	1	383.788	2.028	20	30		GEEDMM
C[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)[C@H](O)C(F)(F)F	ZINC000632673236	532637603	/nfs/dbraw/zinc/63/76/03/532637603.db2.gz	IVCMTUAXNPPKHT-CDUCUWFYSA-N	-1	1	385.257	2.314	20	30		GEEDMM
CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CC#N)c(F)cc1Br	ZINC000285170634	532654478	/nfs/dbraw/zinc/65/44/78/532654478.db2.gz	MGMSQKAVJHQAPA-QMMMGPOBSA-N	-1	1	393.234	2.345	20	30		GEEDMM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)c1	ZINC000438758314	532677008	/nfs/dbraw/zinc/67/70/08/532677008.db2.gz	NMPFPRKQNQOLJI-DEOSSOPVSA-N	-1	1	378.475	2.141	20	30		GEEDMM
CCOC(=O)C1=C(C(=O)C2CC2)[C@@H](c2ccc([O-])c(Cl)c2)NC(=S)N1	ZINC000299279551	532706012	/nfs/dbraw/zinc/70/60/12/532706012.db2.gz	BBWPILWOSXQNAJ-CYBMUJFWSA-N	-1	1	380.853	2.361	20	30		GEEDMM
CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000581910013	532759292	/nfs/dbraw/zinc/75/92/92/532759292.db2.gz	FBOPDBLVYVUPPW-JTQLQIEISA-N	-1	1	379.251	2.145	20	30		GEEDMM
Cc1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)c(Br)n1C	ZINC000286726051	532765048	/nfs/dbraw/zinc/76/50/48/532765048.db2.gz	SOVVJTDWENSQBC-VIFPVBQESA-N	-1	1	383.271	2.402	20	30		GEEDMM
CC(C)(CC#N)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000412411432	532790407	/nfs/dbraw/zinc/79/04/07/532790407.db2.gz	AYPCIHRXSGQLHI-UHFFFAOYSA-N	-1	1	378.281	2.328	20	30		GEEDMM
C=C(COC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1)C(=O)OCC	ZINC000735402012	598921198	/nfs/dbraw/zinc/92/11/98/598921198.db2.gz	DKMMHBPUPXREFH-UHFFFAOYSA-N	-1	1	389.437	2.137	20	30		GEEDMM
C=C(COC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C(=O)OCC	ZINC000735402012	598921199	/nfs/dbraw/zinc/92/11/99/598921199.db2.gz	DKMMHBPUPXREFH-UHFFFAOYSA-N	-1	1	389.437	2.137	20	30		GEEDMM
CC(C)Cn1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c2ccccc21	ZINC000735851508	598723638	/nfs/dbraw/zinc/72/36/38/598723638.db2.gz	XWXQEWARGYNOHO-UHFFFAOYSA-N	-1	1	375.396	2.324	20	30		GEEDMM
Cn1cc(-c2csc(=NC(C)(C)C)n2N=Cc2ccc(-c3nnn[n-]3)o2)cn1	ZINC000737592248	599323774	/nfs/dbraw/zinc/32/37/74/599323774.db2.gz	MHMDWMCXAUZZND-UHFFFAOYSA-N	-1	1	397.468	2.305	20	30		GEEDMM
Cn1cc(-c2csc(=NC(C)(C)C)n2N=Cc2ccc(-c3nn[n-]n3)o2)cn1	ZINC000737592248	599323776	/nfs/dbraw/zinc/32/37/76/599323776.db2.gz	MHMDWMCXAUZZND-UHFFFAOYSA-N	-1	1	397.468	2.305	20	30		GEEDMM
C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCN1C[C@H](O)c1ccccc1	ZINC000736808044	600568323	/nfs/dbraw/zinc/56/83/23/600568323.db2.gz	NDYHXMGAGMMBJG-TYCQWZJGSA-N	-1	1	379.460	2.424	20	30		GEEDMM
N#Cc1cccc([C@@H](NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)C(=O)[O-])c1	ZINC000833076657	601303506	/nfs/dbraw/zinc/30/35/06/601303506.db2.gz	XSJPOXSGGGHVDE-WOJBJXKFSA-N	-1	1	393.443	2.383	20	30		GEEDMM
C=CCn1c(CCN2CCCCC2)nn(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S	ZINC000825710804	601815930	/nfs/dbraw/zinc/81/59/30/601815930.db2.gz	BPTAJXLNZDRHIT-HOTGVXAUSA-N	-1	1	393.557	2.238	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2cc(Cl)cc(Br)c2)nc1-c1nn[nH]n1	ZINC000826382860	607634047	/nfs/dbraw/zinc/63/40/47/607634047.db2.gz	YBCNEKJFOLGJMZ-UHFFFAOYSA-N	-1	1	393.592	2.130	20	30		GEEDMM
C#CC[C@@H](OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C(C)C	ZINC000819688288	606135097	/nfs/dbraw/zinc/13/50/97/606135097.db2.gz	FJZSWKOVHYCSMX-MRXNPFEDSA-N	-1	1	381.440	2.050	20	30		GEEDMM
C#CC[C@@H](OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C(C)C	ZINC000819688288	606135099	/nfs/dbraw/zinc/13/50/99/606135099.db2.gz	FJZSWKOVHYCSMX-MRXNPFEDSA-N	-1	1	381.440	2.050	20	30		GEEDMM
N#Cc1ccc(C(F)(F)F)c(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1	ZINC000822826031	607226987	/nfs/dbraw/zinc/22/69/87/607226987.db2.gz	RVUBWFIDFACMQZ-UHFFFAOYSA-N	-1	1	377.334	2.107	20	30		GEEDMM
N#Cc1ccc(C(F)(F)F)c(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1	ZINC000822826031	607226988	/nfs/dbraw/zinc/22/69/88/607226988.db2.gz	RVUBWFIDFACMQZ-UHFFFAOYSA-N	-1	1	377.334	2.107	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)o1	ZINC000826323077	607886950	/nfs/dbraw/zinc/88/69/50/607886950.db2.gz	OVLASBQQAQZJNI-LLVKDONJSA-N	-1	1	376.421	2.208	20	30		GEEDMM
C=CCN(CCc1ccco1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000823909694	609450196	/nfs/dbraw/zinc/45/01/96/609450196.db2.gz	NJXUNNXBSNKMGH-UHFFFAOYSA-N	-1	1	377.401	2.018	20	30		GEEDMM
C=CCN(CCc1ccco1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000823909694	609450197	/nfs/dbraw/zinc/45/01/97/609450197.db2.gz	NJXUNNXBSNKMGH-UHFFFAOYSA-N	-1	1	377.401	2.018	20	30		GEEDMM
C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451417755	650112333	/nfs/dbraw/zinc/11/23/33/650112333.db2.gz	KWFHZEBRZHELKW-VMZHVLLKSA-N	-1	1	377.235	2.065	20	30		GEEDMM
C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451531865	650123808	/nfs/dbraw/zinc/12/38/08/650123808.db2.gz	SHYLIGWMPORFOL-WRWORJQWSA-N	-1	1	379.276	2.490	20	30		GEEDMM
COCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451577024	650127260	/nfs/dbraw/zinc/12/72/60/650127260.db2.gz	YPVZGKWXMSMDRT-UHFFFAOYSA-N	-1	1	379.251	2.411	20	30		GEEDMM
N#CCCn1ccc(NC(=O)c2ccc(I)c([O-])c2)n1	ZINC000545493878	650458545	/nfs/dbraw/zinc/45/85/45/650458545.db2.gz	FXYCSFFXZJYOFV-UHFFFAOYSA-N	-1	1	382.161	2.359	20	30		GEEDMM
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000509179072	650488987	/nfs/dbraw/zinc/48/89/87/650488987.db2.gz	PQVWHZQQTNQNGS-SNVBAGLBSA-N	-1	1	379.825	2.223	20	30		GEEDMM
C=CCCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC	ZINC000472695071	650521435	/nfs/dbraw/zinc/52/14/35/650521435.db2.gz	VUJINTFSOSMCQU-UHFFFAOYSA-N	-1	1	390.527	2.482	20	30		GEEDMM
N#C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(Cl)c(Cl)c1	ZINC000511081734	650525596	/nfs/dbraw/zinc/52/55/96/650525596.db2.gz	OUBHBIWAKKDALW-GFCCVEGCSA-N	-1	1	379.203	2.205	20	30		GEEDMM
Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1NS(C)(=O)=O	ZINC000513395151	650562710	/nfs/dbraw/zinc/56/27/10/650562710.db2.gz	LJKVGFWHZWBPPR-UHFFFAOYSA-N	-1	1	379.463	2.347	20	30		GEEDMM
CC1(C)C[C@]1(C#N)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000518538361	650606086	/nfs/dbraw/zinc/60/60/86/650606086.db2.gz	FDQGTMDPTJVSLC-CQSZACIVSA-N	-1	1	376.265	2.080	20	30		GEEDMM
CN1C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2C1=O	ZINC000536458763	650802588	/nfs/dbraw/zinc/80/25/88/650802588.db2.gz	ICIIUIGCVQRFBS-UHFFFAOYSA-N	-1	1	375.793	2.238	20	30		GEEDMM
N#CC(=C([O-])c1cc(I)cc([N+](=O)[O-])c1)c1ccncn1	ZINC000546859631	651011590	/nfs/dbraw/zinc/01/15/90/651011590.db2.gz	NCMIBQKLJYJFHR-NSHDSACASA-N	-1	1	394.128	2.479	20	30		GEEDMM
COCC[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000416580750	648176517	/nfs/dbraw/zinc/17/65/17/648176517.db2.gz	JPXFBUXUBXEIQU-SECBINFHSA-N	-1	1	379.251	2.411	20	30		GEEDMM
N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1	ZINC000563300007	651523178	/nfs/dbraw/zinc/52/31/78/651523178.db2.gz	ABJMTUWSZSMJKZ-UHFFFAOYSA-N	-1	1	378.211	2.393	20	30		GEEDMM
CS(=O)(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1	ZINC000609793636	651631811	/nfs/dbraw/zinc/63/18/11/651631811.db2.gz	HBLLXTDSYFRQLG-UHFFFAOYSA-N	-1	1	399.881	2.062	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CC2=CCOCC2)cc1Br	ZINC000578218620	652253905	/nfs/dbraw/zinc/25/39/05/652253905.db2.gz	YAOIICPXKGDNMN-UHFFFAOYSA-N	-1	1	375.219	2.085	20	30		GEEDMM
O=S(=O)([N-][C@H](CO)CC(F)(F)F)c1c(F)cccc1OC(F)(F)F	ZINC000580110305	652367270	/nfs/dbraw/zinc/36/72/70/652367270.db2.gz	HVFJWWIJKWEWJN-LURJTMIESA-N	-1	1	385.257	2.316	20	30		GEEDMM
C=CCN1C(=S)N=NC1c1sc([N-]C(=O)c2cc(OC)no2)nc1C	ZINC000753985835	652422514	/nfs/dbraw/zinc/42/25/14/652422514.db2.gz	QJHWTBQQISTPNM-UHFFFAOYSA-N	-1	1	378.439	2.434	20	30		GEEDMM
O=C([O-])c1csc(C=NNc2ccc(S(=O)(=O)N3CCCC3)cn2)c1	ZINC000755636101	652470977	/nfs/dbraw/zinc/47/09/77/652470977.db2.gz	KFKZRDUEEYEDTI-UHFFFAOYSA-N	-1	1	380.451	2.072	20	30		GEEDMM
[O-]c1c(Br)cc(O)cc1C=NNC(=S)NCCc1ccccn1	ZINC000755682879	652472280	/nfs/dbraw/zinc/47/22/80/652472280.db2.gz	KVZZYCRIUHEBGF-UHFFFAOYSA-N	-1	1	395.282	2.296	20	30		GEEDMM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(Cl)ccc2OCC#N)co1	ZINC000756392381	652497375	/nfs/dbraw/zinc/49/73/75/652497375.db2.gz	ZDERNGXWYBVAPR-UHFFFAOYSA-N	-1	1	384.797	2.100	20	30		GEEDMM
C#CCNC(=S)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000758239583	652534579	/nfs/dbraw/zinc/53/45/79/652534579.db2.gz	BBTYURYDKYWFQH-UHFFFAOYSA-N	-1	1	377.466	2.224	20	30		GEEDMM
C=CCCn1cc(C[N-]S(=O)(=O)c2sccc2Br)nn1	ZINC000632635583	652570141	/nfs/dbraw/zinc/57/01/41/652570141.db2.gz	CHSXXHSQJZPYGE-UHFFFAOYSA-N	-1	1	377.289	2.157	20	30		GEEDMM
N#Cc1cc(F)ccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-]	ZINC000765904810	652857065	/nfs/dbraw/zinc/85/70/65/652857065.db2.gz	XBWQPPRWLGBSND-UHFFFAOYSA-N	-1	1	392.184	2.420	20	30		GEEDMM
C=CCC[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-]	ZINC000776586583	653361854	/nfs/dbraw/zinc/36/18/54/653361854.db2.gz	DGBRFTKUCWTJCS-SNVBAGLBSA-N	-1	1	384.198	2.425	20	30		GEEDMM
Cc1cc([O-])c(C(=O)C=Cc2cn3ccc(Br)cc3n2)c(=O)o1	ZINC000811684702	653401844	/nfs/dbraw/zinc/40/18/44/653401844.db2.gz	BFRAUAJJBRRARO-XYBNCVKDSA-N	-1	1	375.178	2.325	20	30		GEEDMM
Cc1cc([O-])c(C(=O)C=Cc2cn3ccc(Br)cc3n2)c(=O)o1	ZINC000811684701	653401953	/nfs/dbraw/zinc/40/19/53/653401953.db2.gz	BFRAUAJJBRRARO-MPNWYJEXSA-N	-1	1	375.178	2.325	20	30		GEEDMM
C=CCNc1nnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000782341276	653659465	/nfs/dbraw/zinc/65/94/65/653659465.db2.gz	XATVYVAKEDMPFE-UHFFFAOYSA-N	-1	1	379.423	2.093	20	30		GEEDMM
C#CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)C(=O)OC	ZINC000841538994	653729944	/nfs/dbraw/zinc/72/99/44/653729944.db2.gz	HCMVOHYOTPCEMP-JTQLQIEISA-N	-1	1	398.637	2.085	20	30		GEEDMM
C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)ccc2[O-])n1	ZINC000790102476	653786935	/nfs/dbraw/zinc/78/69/35/653786935.db2.gz	WJAIBKIQTKBDAY-UHFFFAOYSA-N	-1	1	392.253	2.273	20	30		GEEDMM
C#C[C@@H](CC)[N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1	ZINC000867198989	653892847	/nfs/dbraw/zinc/89/28/47/653892847.db2.gz	SVWRKVTWZANQDK-WLRWDXFRSA-N	-1	1	379.301	2.152	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2COC3(CCC3)C2)cc1Br	ZINC000849448668	654037894	/nfs/dbraw/zinc/03/78/94/654037894.db2.gz	JIZUSPYWVMJOKE-SNVBAGLBSA-N	-1	1	389.246	2.450	20	30		GEEDMM
C=CCOCCC[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F	ZINC000917385073	654122361	/nfs/dbraw/zinc/12/23/61/654122361.db2.gz	XBPITJKHYLUSJW-QHCPKHFHSA-N	-1	1	386.417	2.460	20	30		GEEDMM
CCCCOC(=O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000830548939	654125630	/nfs/dbraw/zinc/12/56/30/654125630.db2.gz	IAQAXCKGODUWFO-UHFFFAOYSA-N	-1	1	393.234	2.081	20	30		GEEDMM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([N-]S(=O)(=O)c2sccc2Cl)C1	ZINC000831102014	654164479	/nfs/dbraw/zinc/16/44/79/654164479.db2.gz	VGSTWYQDLCTUNS-GXSJLCMTSA-N	-1	1	391.902	2.439	20	30		GEEDMM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([N-]S(=O)(=O)c2sccc2Cl)C1	ZINC000831102015	654164559	/nfs/dbraw/zinc/16/45/59/654164559.db2.gz	VGSTWYQDLCTUNS-KOLCDFICSA-N	-1	1	391.902	2.439	20	30		GEEDMM
C#CCN1CCC([N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1	ZINC000921437452	654267094	/nfs/dbraw/zinc/26/70/94/654267094.db2.gz	XUUVEHCXMSBRLC-UHFFFAOYSA-N	-1	1	381.807	2.130	20	30		GEEDMM
N#C[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1	ZINC000928230287	654636805	/nfs/dbraw/zinc/63/68/05/654636805.db2.gz	HNCVISYFJFGJPE-JTQLQIEISA-N	-1	1	376.265	2.034	20	30		GEEDMM
N#Cc1cc(CS(=O)(=O)[N-]C[C@@](O)(c2ccccc2)C(F)(F)F)cs1	ZINC000914151858	654830009	/nfs/dbraw/zinc/83/00/09/654830009.db2.gz	OFZABWPYTJDDDF-CQSZACIVSA-N	-1	1	390.408	2.489	20	30		GEEDMM
Cn1c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2n(C)c1=O	ZINC000064477663	531867207	/nfs/dbraw/zinc/86/72/07/531867207.db2.gz	WOQCQZTXYCJQQF-UHFFFAOYSA-N	-1	1	376.825	2.203	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCO)cc1Br	ZINC000295109575	532404520	/nfs/dbraw/zinc/40/45/20/532404520.db2.gz	IHRLIMKRWGBAFF-TVQRCGJNSA-N	-1	1	391.262	2.289	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCOCC2)cc1Br	ZINC000295135634	532407698	/nfs/dbraw/zinc/40/76/98/532407698.db2.gz	KIYNCWNRQMZUBC-SNVBAGLBSA-N	-1	1	377.235	2.307	20	30		GEEDMM
CS(=O)(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1F	ZINC000427114339	532410965	/nfs/dbraw/zinc/41/09/65/532410965.db2.gz	MCXREKXXTMWTKW-UHFFFAOYSA-N	-1	1	387.389	2.009	20	30		GEEDMM
C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295463694	532448897	/nfs/dbraw/zinc/44/88/97/532448897.db2.gz	LIZLVYLKHZZVML-QMMMGPOBSA-N	-1	1	379.251	2.288	20	30		GEEDMM
C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295830257	532480726	/nfs/dbraw/zinc/48/07/26/532480726.db2.gz	CQTGHTAEMZGGDO-NXEZZACHSA-N	-1	1	391.262	2.411	20	30		GEEDMM
N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000593902477	532502013	/nfs/dbraw/zinc/50/20/13/532502013.db2.gz	AHHZBKCRYLAIKS-LLVKDONJSA-N	-1	1	391.225	2.358	20	30		GEEDMM
CS(=O)(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1	ZINC000435473761	532620688	/nfs/dbraw/zinc/62/06/88/532620688.db2.gz	KBMFRZWYQFBSCJ-UHFFFAOYSA-N	-1	1	391.883	2.445	20	30		GEEDMM
Cc1[n-][nH]c(=O)c1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1	ZINC000597692759	532624083	/nfs/dbraw/zinc/62/40/83/532624083.db2.gz	LLTSHULGMWYSLX-UHFFFAOYSA-N	-1	1	376.214	2.133	20	30		GEEDMM
N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)c1	ZINC000484553278	532680857	/nfs/dbraw/zinc/68/08/57/532680857.db2.gz	BKNWEJAGIPMFSH-UHFFFAOYSA-N	-1	1	380.765	2.439	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccccn2)cc1Br	ZINC000578494131	532736445	/nfs/dbraw/zinc/73/64/45/532736445.db2.gz	FFVJDGJOZDFNJX-UHFFFAOYSA-N	-1	1	384.230	2.376	20	30		GEEDMM
N#CCc1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C(N)=O)c1	ZINC000509385581	532767361	/nfs/dbraw/zinc/76/73/61/532767361.db2.gz	ORCPTBMSHSDRRC-UHFFFAOYSA-N	-1	1	394.250	2.415	20	30		GEEDMM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@H]1CCCO1	ZINC000330801836	532827161	/nfs/dbraw/zinc/82/71/61/532827161.db2.gz	GXWHHQMILAAPCW-PRHODGIISA-N	-1	1	377.235	2.306	20	30		GEEDMM
CC(C)(C)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000331335535	532838258	/nfs/dbraw/zinc/83/82/58/532838258.db2.gz	QCGLRRQHTHBHPA-GFCCVEGCSA-N	-1	1	379.251	2.145	20	30		GEEDMM
C[C@@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000331340715	532838339	/nfs/dbraw/zinc/83/83/39/532838339.db2.gz	SIASTYWYYSIPIM-KGLIPLIRSA-N	-1	1	391.262	2.289	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cccc(C#N)c1C	ZINC000822009941	607271426	/nfs/dbraw/zinc/27/14/26/607271426.db2.gz	HSNBBWGEEPGLOY-UHFFFAOYSA-N	-1	1	377.408	2.336	20	30		GEEDMM
O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1	ZINC000823397719	607353575	/nfs/dbraw/zinc/35/35/75/607353575.db2.gz	ZLLOVVCFROLEDB-UHFFFAOYSA-N	-1	1	389.293	2.369	20	30		GEEDMM
O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1	ZINC000823397719	607353577	/nfs/dbraw/zinc/35/35/77/607353577.db2.gz	ZLLOVVCFROLEDB-UHFFFAOYSA-N	-1	1	389.293	2.369	20	30		GEEDMM
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000737317886	598401543	/nfs/dbraw/zinc/40/15/43/598401543.db2.gz	PXFMNQYDHBJWFL-LLVKDONJSA-N	-1	1	380.412	2.299	20	30		GEEDMM
C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000735425623	598692747	/nfs/dbraw/zinc/69/27/47/598692747.db2.gz	CSMSHAQFBFXTLU-UHFFFAOYSA-N	-1	1	398.423	2.254	20	30		GEEDMM
CC(C)(C)c1nc(-c2nn[nH]n2)c(N=NCc2cccc(OCC(=O)[O-])c2)o1	ZINC000735657155	598819634	/nfs/dbraw/zinc/81/96/34/598819634.db2.gz	PPUJMQRJNCQNIV-UHFFFAOYSA-N	-1	1	385.384	2.062	20	30		GEEDMM
CN=c1scc(-c2ccc3c(c2)COC3)n1N=Cc1ccc(-c2nnn[n-]2)o1	ZINC000736868410	599324192	/nfs/dbraw/zinc/32/41/92/599324192.db2.gz	RMAJESKLYWXZOQ-UHFFFAOYSA-N	-1	1	393.432	2.433	20	30		GEEDMM
CN=c1scc(-c2ccc3c(c2)COC3)n1N=Cc1ccc(-c2nn[n-]n2)o1	ZINC000736868410	599324194	/nfs/dbraw/zinc/32/41/94/599324194.db2.gz	RMAJESKLYWXZOQ-UHFFFAOYSA-N	-1	1	393.432	2.433	20	30		GEEDMM
CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1	ZINC000821609879	599338106	/nfs/dbraw/zinc/33/81/06/599338106.db2.gz	PSGPROOPSWJNKC-UHFFFAOYSA-N	-1	1	388.840	2.212	20	30		GEEDMM
N#Cc1ccc(N2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)nc1	ZINC000822829659	599491708	/nfs/dbraw/zinc/49/17/08/599491708.db2.gz	CHKCIAHXOJNDIL-UHFFFAOYSA-N	-1	1	383.419	2.008	20	30		GEEDMM
N#Cc1ccc(N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)nc1	ZINC000822829659	599491709	/nfs/dbraw/zinc/49/17/09/599491709.db2.gz	CHKCIAHXOJNDIL-UHFFFAOYSA-N	-1	1	383.419	2.008	20	30		GEEDMM
C=C(C)CN(CC)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1	ZINC000735399637	599593286	/nfs/dbraw/zinc/59/32/86/599593286.db2.gz	RWXAMYYGCQNNPG-UHFFFAOYSA-N	-1	1	375.376	2.472	20	30		GEEDMM
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000736056318	599604137	/nfs/dbraw/zinc/60/41/37/599604137.db2.gz	ATQROTCOVXOTJT-QMMMGPOBSA-N	-1	1	390.329	2.298	20	30		GEEDMM
COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c(C(=O)[O-])s1	ZINC000737679510	599850286	/nfs/dbraw/zinc/85/02/86/599850286.db2.gz	AAPLTNWLTNKGSR-UHFFFAOYSA-N	-1	1	384.366	2.044	20	30		GEEDMM
CC(C)(C)NS(=O)(=O)c1ccc(N=NCc2cc(C(=O)[O-])ccc2O)nc1	ZINC000736261251	599906401	/nfs/dbraw/zinc/90/64/01/599906401.db2.gz	BYGKEJBZVYCILA-UHFFFAOYSA-N	-1	1	392.437	2.008	20	30		GEEDMM
CC(C)NS(=O)(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000736483750	600592156	/nfs/dbraw/zinc/59/21/56/600592156.db2.gz	OHBZSORFJUUGJQ-SFHVURJKSA-N	-1	1	387.461	2.160	20	30		GEEDMM
C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC000736076431	600899368	/nfs/dbraw/zinc/89/93/68/600899368.db2.gz	OZYYWKAPKXUKII-UHFFFAOYSA-N	-1	1	393.392	2.492	20	30		GEEDMM
C=CCn1c(=O)[nH]nc1SCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2	ZINC000825710984	601865473	/nfs/dbraw/zinc/86/54/73/601865473.db2.gz	JZVHKKLTZDKBQS-UHFFFAOYSA-N	-1	1	380.451	2.149	20	30		GEEDMM
N#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC000833068061	602119664	/nfs/dbraw/zinc/11/96/64/602119664.db2.gz	OERWVHLUYOPZES-UHFFFAOYSA-N	-1	1	394.380	2.382	20	30		GEEDMM
N#Cc1ccc(CN2CCCN(C(=O)NCC3CCN(C(=O)[O-])CC3)CC2)cc1	ZINC000740312140	602162852	/nfs/dbraw/zinc/16/28/52/602162852.db2.gz	BTJPJBUKSMQMCR-UHFFFAOYSA-N	-1	1	399.495	2.166	20	30		GEEDMM
Cc1ccc(C#N)cc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000826281508	607670838	/nfs/dbraw/zinc/67/08/38/607670838.db2.gz	VWVMWIRYPPDFFH-UHFFFAOYSA-N	-1	1	375.797	2.468	20	30		GEEDMM
Cc1ccc(C#N)cc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1	ZINC000826281508	607670840	/nfs/dbraw/zinc/67/08/40/607670840.db2.gz	VWVMWIRYPPDFFH-UHFFFAOYSA-N	-1	1	375.797	2.468	20	30		GEEDMM
N#CC(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)c1nc2ccccc2n1C(F)F	ZINC000831064819	604388014	/nfs/dbraw/zinc/38/80/14/604388014.db2.gz	NSFUUHMUTJPFNV-WDEREUQCSA-N	-1	1	378.335	2.377	20	30		GEEDMM
CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000833572811	604861242	/nfs/dbraw/zinc/86/12/42/604861242.db2.gz	CZNLSVHWOUYDLC-IERDGZPVSA-N	-1	1	398.463	2.106	20	30		GEEDMM
C=CCOc1ccc(/C=C\C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc1OC	ZINC000833378208	605275893	/nfs/dbraw/zinc/27/58/93/605275893.db2.gz	ZINKQCQJGWYAOH-QKIRZYONSA-N	-1	1	388.464	2.281	20	30		GEEDMM
O=C([O-])N1CC[C@]2(C1)CC(=NNc1ncnc3nc[nH]c31)c1ccccc1O2	ZINC000834088436	605626603	/nfs/dbraw/zinc/62/66/03/605626603.db2.gz	XCTGIDREFWQLQG-GOSISDBHSA-N	-1	1	379.380	2.074	20	30		GEEDMM
N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN(C1CC1)[C@H]1CCN(C(=O)[O-])C1	ZINC000833963260	605780831	/nfs/dbraw/zinc/78/08/31/605780831.db2.gz	KLGWMSFCLKQSHZ-HOTGVXAUSA-N	-1	1	391.431	2.440	20	30		GEEDMM
COc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)s2)cc1F	ZINC000821834982	606370949	/nfs/dbraw/zinc/37/09/49/606370949.db2.gz	AAMLKWXRFMGYKZ-UHFFFAOYSA-N	-1	1	377.430	2.396	20	30		GEEDMM
COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)ccc1S(C)(=O)=O	ZINC000821702953	606390730	/nfs/dbraw/zinc/39/07/30/606390730.db2.gz	IPFDPAQOYQASFG-XQRVVYSFSA-N	-1	1	390.446	2.236	20	30		GEEDMM
CC[C@H](C#N)OC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000820842059	606613713	/nfs/dbraw/zinc/61/37/13/606613713.db2.gz	IWXCGAUAGJTLCC-GFCCVEGCSA-N	-1	1	397.395	2.176	20	30		GEEDMM
N#Cc1cccc(OCCCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1	ZINC000822836993	606648251	/nfs/dbraw/zinc/64/82/51/606648251.db2.gz	DJMWOBXDSOAPMY-UHFFFAOYSA-N	-1	1	378.392	2.426	20	30		GEEDMM
N#Cc1cccc(OCCCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1	ZINC000822836993	606648252	/nfs/dbraw/zinc/64/82/52/606648252.db2.gz	DJMWOBXDSOAPMY-UHFFFAOYSA-N	-1	1	378.392	2.426	20	30		GEEDMM
Cc1cc(C#N)ccc1Oc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1	ZINC000822162034	606850236	/nfs/dbraw/zinc/85/02/36/606850236.db2.gz	WRPRSFDHIUFJBV-UHFFFAOYSA-N	-1	1	386.375	2.306	20	30		GEEDMM
N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)c(Cl)c1	ZINC000822833541	607123010	/nfs/dbraw/zinc/12/30/10/607123010.db2.gz	RELHYVCQIHUYPZ-UHFFFAOYSA-N	-1	1	378.776	2.332	20	30		GEEDMM
Cc1nc(SCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(C#N)c(C)c1C	ZINC000826327447	607997331	/nfs/dbraw/zinc/99/73/31/607997331.db2.gz	HXTLJSLIEKCBRB-UHFFFAOYSA-N	-1	1	395.448	2.495	20	30		GEEDMM
CC(=NNS(=O)(=O)c1cc(C)ccc1C)c1ccc(-c2nn[n-]n2)s1	ZINC000823953872	608091756	/nfs/dbraw/zinc/09/17/56/608091756.db2.gz	TVHXMNQUCLUWBL-UHFFFAOYSA-N	-1	1	376.467	2.248	20	30		GEEDMM
C[C@@H](Cc1ccccc1)n1cccc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000824457196	608354343	/nfs/dbraw/zinc/35/43/43/608354343.db2.gz	HBJROWCFXHQDNG-LBPRGKRZSA-N	-1	1	387.407	2.319	20	30		GEEDMM
N#Cc1ccc(OC2CCC(NC(=O)c3ccc(-c4nnn[n-]4)s3)CC2)nc1	ZINC000826386074	608557355	/nfs/dbraw/zinc/55/73/55/608557355.db2.gz	NWTHXXNCTYMRLG-UHFFFAOYSA-N	-1	1	395.448	2.315	20	30		GEEDMM
N#Cc1ccc(OC2CCC(NC(=O)c3ccc(-c4nn[n-]n4)s3)CC2)nc1	ZINC000826386074	608557356	/nfs/dbraw/zinc/55/73/56/608557356.db2.gz	NWTHXXNCTYMRLG-UHFFFAOYSA-N	-1	1	395.448	2.315	20	30		GEEDMM
N#Cc1csc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1	ZINC000826387565	609292953	/nfs/dbraw/zinc/29/29/53/609292953.db2.gz	CABRDEIZDINOEX-UHFFFAOYSA-N	-1	1	380.368	2.377	20	30		GEEDMM
C=CCC1(C(=O)NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)CCCCC1	ZINC000450313992	650063766	/nfs/dbraw/zinc/06/37/66/650063766.db2.gz	SOBUAZIUPIPQFV-UHFFFAOYSA-N	-1	1	387.527	2.078	20	30		GEEDMM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C#N)C(C)(C)C)c(F)c1	ZINC000450977399	650077625	/nfs/dbraw/zinc/07/76/25/650077625.db2.gz	IFKCMYMUUDVHNM-AWEZNQCLSA-N	-1	1	391.490	2.194	20	30		GEEDMM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C2(C#N)CCC2)c(F)c1	ZINC000450984478	650078241	/nfs/dbraw/zinc/07/82/41/650078241.db2.gz	DRUSBRAQZMDSDD-UHFFFAOYSA-N	-1	1	389.474	2.044	20	30		GEEDMM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)C[C@H](C)C#N)c(F)c1	ZINC000451108411	650087665	/nfs/dbraw/zinc/08/76/65/650087665.db2.gz	SPBRSILOLYABTP-GFCCVEGCSA-N	-1	1	391.490	2.148	20	30		GEEDMM
C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451391733	650110436	/nfs/dbraw/zinc/11/04/36/650110436.db2.gz	HEOXAZMQAPZLIC-ISVAXAHUSA-N	-1	1	377.235	2.306	20	30		GEEDMM
CCOC(=O)[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)CC1(CC#N)CC1	ZINC000451421725	650112587	/nfs/dbraw/zinc/11/25/87/650112587.db2.gz	SKWJRWUPSVWWNR-OAHLLOKOSA-N	-1	1	384.885	2.427	20	30		GEEDMM
CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451454214	650116097	/nfs/dbraw/zinc/11/60/97/650116097.db2.gz	PGWMCAJOGVMHKV-LBPRGKRZSA-N	-1	1	379.251	2.145	20	30		GEEDMM
C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451582176	650127446	/nfs/dbraw/zinc/12/74/46/650127446.db2.gz	FKABTZCXGOKZJO-XPTSAGLGSA-N	-1	1	391.262	2.289	20	30		GEEDMM
N#Cc1ccc(OCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000462394160	650477579	/nfs/dbraw/zinc/47/75/79/650477579.db2.gz	DQOZLRJEMULCTJ-UHFFFAOYSA-N	-1	1	381.797	2.477	20	30		GEEDMM
CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1CC#N	ZINC000475805011	650539455	/nfs/dbraw/zinc/53/94/55/650539455.db2.gz	NLINVKWLZZHDNY-UHFFFAOYSA-N	-1	1	383.426	2.064	20	30		GEEDMM
C=CCOC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)OC	ZINC000481589238	650649856	/nfs/dbraw/zinc/64/98/56/650649856.db2.gz	ZCXDNJKAQWBIFW-VIFPVBQESA-N	-1	1	386.228	2.155	20	30		GEEDMM
C#CCN(C1CCCCC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000116786383	643469154	/nfs/dbraw/zinc/46/91/54/643469154.db2.gz	RLQUIYCURIUMEC-UHFFFAOYSA-N	-1	1	388.486	2.154	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)c(F)c1	ZINC000160856540	644206083	/nfs/dbraw/zinc/20/60/83/644206083.db2.gz	INYRNVKPESVHLD-UHFFFAOYSA-N	-1	1	378.776	2.127	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](CO)C2)cc1Br	ZINC000416670338	648207590	/nfs/dbraw/zinc/20/75/90/648207590.db2.gz	YTBWLCNCKJGRHA-GXSJLCMTSA-N	-1	1	391.262	2.289	20	30		GEEDMM
CC(C)=CCSC[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000548590226	651080817	/nfs/dbraw/zinc/08/08/17/651080817.db2.gz	RNFSGJAHVONDSP-CYBMUJFWSA-N	-1	1	390.433	2.267	20	30		GEEDMM
C[C@H](C#N)CN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1	ZINC000555072336	651217566	/nfs/dbraw/zinc/21/75/66/651217566.db2.gz	MLJZXGBUUJQQOB-SNVBAGLBSA-N	-1	1	390.292	2.422	20	30		GEEDMM
Cn1cc(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)c(C(F)(F)F)n1	ZINC000645079034	651586842	/nfs/dbraw/zinc/58/68/42/651586842.db2.gz	GZSNXTPHWGUQNC-UHFFFAOYSA-N	-1	1	391.268	2.474	20	30		GEEDMM
Cc1cc(Br)c2c(c1)C(=NNc1nc3[nH][n-]cc-3c(=O)n1)CCO2	ZINC000731154828	651620247	/nfs/dbraw/zinc/62/02/47/651620247.db2.gz	GBBMGVMBLBUALJ-UHFFFAOYSA-N	-1	1	389.213	2.102	20	30		GEEDMM
COC(=O)c1cc(S(=O)(=O)[N-]CCCCC#N)c(F)cc1Br	ZINC000734494462	651747452	/nfs/dbraw/zinc/74/74/52/651747452.db2.gz	JQMRFRZARIVYMA-UHFFFAOYSA-N	-1	1	393.234	2.347	20	30		GEEDMM
CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1cc([O-])cc(C#N)c1	ZINC000614368232	651824263	/nfs/dbraw/zinc/82/42/63/651824263.db2.gz	HINWJWSUTFAHGE-UHFFFAOYSA-N	-1	1	389.209	2.132	20	30		GEEDMM
C#CCCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F	ZINC000742333757	651982942	/nfs/dbraw/zinc/98/29/42/651982942.db2.gz	SNDQVBMYHNFOQA-UHFFFAOYSA-N	-1	1	378.219	2.067	20	30		GEEDMM
N#Cc1ccc(CN2CC[C@@H]([N-]S(=O)(=O)c3sccc3Cl)C2=O)cc1	ZINC000574150130	652004052	/nfs/dbraw/zinc/00/40/52/652004052.db2.gz	DRRCUTZVICJROT-CQSZACIVSA-N	-1	1	395.893	2.353	20	30		GEEDMM
O=[N+]([O-])c1ccc(Cl)c(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000748255128	652196922	/nfs/dbraw/zinc/19/69/22/652196922.db2.gz	MLUBDKQUVPDFAZ-UHFFFAOYSA-N	-1	1	384.757	2.469	20	30		GEEDMM
C#CCOc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc1	ZINC000760362418	652605234	/nfs/dbraw/zinc/60/52/34/652605234.db2.gz	FRJRSPGYUQETCW-UHFFFAOYSA-N	-1	1	383.422	2.042	20	30		GEEDMM
N#Cc1cnn(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])c1N	ZINC000760808594	652624527	/nfs/dbraw/zinc/62/45/27/652624527.db2.gz	BEHCOGUSIQSOPG-UHFFFAOYSA-N	-1	1	392.600	2.283	20	30		GEEDMM
CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CCOC1	ZINC000594694639	652672979	/nfs/dbraw/zinc/67/29/79/652672979.db2.gz	NIAQXFQXGBJAPQ-FZMZJTMJSA-N	-1	1	378.372	2.370	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](CO)CC2CC2)cc1Br	ZINC000594866910	652694531	/nfs/dbraw/zinc/69/45/31/652694531.db2.gz	VFWOYWBNBMECPA-SNVBAGLBSA-N	-1	1	391.262	2.147	20	30		GEEDMM
N#Cc1ccc(C(=O)NCC(=O)NCc2cccc(Br)c2[O-])cc1	ZINC000765771271	652853867	/nfs/dbraw/zinc/85/38/67/652853867.db2.gz	YODMVTHZPXUEJH-UHFFFAOYSA-N	-1	1	388.221	2.073	20	30		GEEDMM
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cncc(Br)c2)cc1	ZINC000767379512	652922605	/nfs/dbraw/zinc/92/26/05/652922605.db2.gz	JWKMRTTYTVXDIK-UHFFFAOYSA-N	-1	1	399.226	2.206	20	30		GEEDMM
CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)c2ccccc2CC#N)[C@@H]1O	ZINC000601436345	653095326	/nfs/dbraw/zinc/09/53/26/653095326.db2.gz	GCOGADXMMKCUCU-ZBFHGGJFSA-N	-1	1	378.475	2.366	20	30		GEEDMM
CN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCC[C@H]1C#N	ZINC000601825594	653129251	/nfs/dbraw/zinc/12/92/51/653129251.db2.gz	IZQIUCQYTQWJGS-GWCFXTLKSA-N	-1	1	390.292	2.422	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H]1CCCO1	ZINC000809833668	653306466	/nfs/dbraw/zinc/30/64/66/653306466.db2.gz	MLACQAXJIJXOQA-PWSUYJOCSA-N	-1	1	379.221	2.361	20	30		GEEDMM
CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ncc(Br)cc1F	ZINC000777432674	653397681	/nfs/dbraw/zinc/39/76/81/653397681.db2.gz	YSKFAFIULPFUDL-UHFFFAOYSA-N	-1	1	397.229	2.446	20	30		GEEDMM
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCO[C@@H](C(F)(F)F)C2)cc1	ZINC000814821909	653639972	/nfs/dbraw/zinc/63/99/72/653639972.db2.gz	CSXYRZKSTAHYPX-GFCCVEGCSA-N	-1	1	381.332	2.112	20	30		GEEDMM
C=C[C@H](O)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-]	ZINC000816843651	653694477	/nfs/dbraw/zinc/69/44/77/653694477.db2.gz	RIMCAHHQZFXMAT-AWEZNQCLSA-N	-1	1	382.825	2.332	20	30		GEEDMM
C[C@@H]1CN(C(=O)c2cc(I)ccc2[O-])C[C@@H](C)N1CC#N	ZINC000880464671	653706460	/nfs/dbraw/zinc/70/64/60/653706460.db2.gz	VPOZQJUIOGOZEM-GHMZBOCLSA-N	-1	1	399.232	2.055	20	30		GEEDMM
CO[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1	ZINC000882587662	653789895	/nfs/dbraw/zinc/78/98/95/653789895.db2.gz	DITVKFCCONFTIG-CZMCAQCFSA-N	-1	1	377.235	2.163	20	30		GEEDMM
C=CCC1([N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CCOCC1	ZINC000867511873	653942678	/nfs/dbraw/zinc/94/26/78/653942678.db2.gz	ADIRCYUXGWOPLK-HSZRJFAPSA-N	-1	1	376.475	2.242	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)s1	ZINC000867704128	653974713	/nfs/dbraw/zinc/97/47/13/653974713.db2.gz	ADBDKRFAZCEUKJ-UHFFFAOYSA-N	-1	1	397.909	2.485	20	30		GEEDMM
COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(C#N)cn2)c(F)cc1Cl	ZINC000795946354	653979491	/nfs/dbraw/zinc/97/94/91/653979491.db2.gz	ZGUXPVYSRYSBDM-UHFFFAOYSA-N	-1	1	383.788	2.011	20	30		GEEDMM
C=CCOCCC[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F	ZINC000917385072	654122320	/nfs/dbraw/zinc/12/23/20/654122320.db2.gz	XBPITJKHYLUSJW-HSZRJFAPSA-N	-1	1	386.417	2.460	20	30		GEEDMM
N#CC[C@@H]([N-]S(=O)(=O)c1c(O)cccc1OC(F)(F)F)C(F)(F)F	ZINC000901949327	654156715	/nfs/dbraw/zinc/15/67/15/654156715.db2.gz	SICAXLTZDSZRAB-MRVPVSSYSA-N	-1	1	378.250	2.414	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H]1CCCO1	ZINC000831140952	654166884	/nfs/dbraw/zinc/16/68/84/654166884.db2.gz	OTGZNKQYTZSDPY-ONGXEEELSA-N	-1	1	379.221	2.361	20	30		GEEDMM
C=C(Br)CNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1	ZINC000921124829	654236735	/nfs/dbraw/zinc/23/67/35/654236735.db2.gz	WYMWRZDTVSOYMN-UHFFFAOYSA-N	-1	1	378.248	2.097	20	30		GEEDMM
CC(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000007054870	531536840	/nfs/dbraw/zinc/53/68/40/531536840.db2.gz	SZCBHXRPWWTCDK-UHFFFAOYSA-N	-1	1	379.463	2.046	20	30		GEEDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)co1	ZINC000132996116	532224568	/nfs/dbraw/zinc/22/45/68/532224568.db2.gz	OARYHZPVMZPOHJ-GFCCVEGCSA-N	-1	1	388.232	2.489	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCO)cc1Br	ZINC000295109571	532404243	/nfs/dbraw/zinc/40/42/43/532404243.db2.gz	IHRLIMKRWGBAFF-NOZJJQNGSA-N	-1	1	391.262	2.289	20	30		GEEDMM
C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295153904	532411001	/nfs/dbraw/zinc/41/10/01/532411001.db2.gz	DNBSSBDCGYPXOA-DTWKUNHWSA-N	-1	1	379.251	2.145	20	30		GEEDMM
COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2cncc(C#N)c2)cc1OC	ZINC000564549593	532527451	/nfs/dbraw/zinc/52/74/51/532527451.db2.gz	FQXASCROFIXVNV-UHFFFAOYSA-N	-1	1	381.797	2.203	20	30		GEEDMM
CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000528494178	532567561	/nfs/dbraw/zinc/56/75/61/532567561.db2.gz	QDIACYNDNMFEMI-OTYXRUKQSA-N	-1	1	389.246	2.306	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)o1	ZINC000376319825	532606884	/nfs/dbraw/zinc/60/68/84/532606884.db2.gz	FSMGYTFRBKQQJO-CYBMUJFWSA-N	-1	1	383.788	2.028	20	30		GEEDMM
CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000597936239	532634074	/nfs/dbraw/zinc/63/40/74/532634074.db2.gz	CWYXUSINTPESIP-UHFFFAOYSA-N	-1	1	375.479	2.108	20	30		GEEDMM
CCN(CCC#N)S(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Cl)cc1Cl	ZINC000409510375	532723048	/nfs/dbraw/zinc/72/30/48/532723048.db2.gz	AVYOKAYDEKTMAU-ZDUSSCGKSA-N	-1	1	394.280	2.277	20	30		GEEDMM
COc1cc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc(Cl)c1[O-]	ZINC000331288980	532837329	/nfs/dbraw/zinc/83/73/29/532837329.db2.gz	VNLRNOQXTFFAPA-JOYOIKCWSA-N	-1	1	376.862	2.077	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]Cc2noc(-c3ccc(Cl)cc3F)n2)o1	ZINC000367750370	532927053	/nfs/dbraw/zinc/92/70/53/532927053.db2.gz	AGNVJWPSVSINMP-UHFFFAOYSA-N	-1	1	382.760	2.472	20	30		GEEDMM
C=CCCOC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[n-]n1	ZINC000735416355	598894478	/nfs/dbraw/zinc/89/44/78/598894478.db2.gz	HEPPCIPZOUJTGW-UHFFFAOYSA-N	-1	1	375.332	2.198	20	30		GEEDMM
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)s2)cc1	ZINC000737719527	598986478	/nfs/dbraw/zinc/98/64/78/598986478.db2.gz	VXZCTWOKZYVYEF-UHFFFAOYSA-N	-1	1	388.416	2.433	20	30		GEEDMM
N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)s2)cc1	ZINC000737719527	598986480	/nfs/dbraw/zinc/98/64/80/598986480.db2.gz	VXZCTWOKZYVYEF-UHFFFAOYSA-N	-1	1	388.416	2.433	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@]1(C#N)CCC[C@H](C)C1	ZINC000737199665	599202816	/nfs/dbraw/zinc/20/28/16/599202816.db2.gz	IUTKRWHAYYBTKW-JEOXALJRSA-N	-1	1	383.456	2.105	20	30		GEEDMM
N#Cc1ccnc(N2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)c1	ZINC000737727918	599265459	/nfs/dbraw/zinc/26/54/59/599265459.db2.gz	UKKDKGUFQNPSGY-UHFFFAOYSA-N	-1	1	383.419	2.008	20	30		GEEDMM
N#Cc1ccnc(N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)c1	ZINC000737727918	599265461	/nfs/dbraw/zinc/26/54/61/599265461.db2.gz	UKKDKGUFQNPSGY-UHFFFAOYSA-N	-1	1	383.419	2.008	20	30		GEEDMM
N#Cc1ccc(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)c(F)c1	ZINC000737718143	598245662	/nfs/dbraw/zinc/24/56/62/598245662.db2.gz	KEGABUBIDUFOJW-UHFFFAOYSA-N	-1	1	390.835	2.314	20	30		GEEDMM
N#Cc1ccc(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)c(F)c1	ZINC000737718143	598245663	/nfs/dbraw/zinc/24/56/63/598245663.db2.gz	KEGABUBIDUFOJW-UHFFFAOYSA-N	-1	1	390.835	2.314	20	30		GEEDMM
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000736183473	598400821	/nfs/dbraw/zinc/40/08/21/598400821.db2.gz	RYOWDJZSDPETKM-LURJTMIESA-N	-1	1	393.194	2.174	20	30		GEEDMM
C#CCOc1cccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1	ZINC000735381341	598494301	/nfs/dbraw/zinc/49/43/01/598494301.db2.gz	SZYPDFCCGKWWKN-UHFFFAOYSA-N	-1	1	392.419	2.167	20	30		GEEDMM
C#CC[C@@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1ccccn1	ZINC000735374418	598510202	/nfs/dbraw/zinc/51/02/02/598510202.db2.gz	CMYSULKGDPCEGI-MRXNPFEDSA-N	-1	1	392.419	2.220	20	30		GEEDMM
C=C(C)CN(CC)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21	ZINC000735399995	598720589	/nfs/dbraw/zinc/72/05/89/598720589.db2.gz	ZNMKUZIBVCOKHB-UHFFFAOYSA-N	-1	1	386.843	2.260	20	30		GEEDMM
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000736054841	599602113	/nfs/dbraw/zinc/60/21/13/599602113.db2.gz	BFLSNXQGIOLWIA-QMMMGPOBSA-N	-1	1	390.329	2.298	20	30		GEEDMM
CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000830604308	600712042	/nfs/dbraw/zinc/71/20/42/600712042.db2.gz	MATOVQVXBLXMFF-UHFFFAOYSA-N	-1	1	393.490	2.070	20	30		GEEDMM
C=CCn1c(CCN2CCCCC2)nn(CN2CC[C@](F)(C(=O)[O-])C2)c1=S	ZINC000825711175	601372212	/nfs/dbraw/zinc/37/22/12/601372212.db2.gz	SDLKZFQTPCFBBG-GOSISDBHSA-N	-1	1	397.520	2.085	20	30		GEEDMM
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1C#N	ZINC000832849976	601517984	/nfs/dbraw/zinc/51/79/84/601517984.db2.gz	VHYBSGFRNIFLLR-SJKOYZFVSA-N	-1	1	384.436	2.209	20	30		GEEDMM
C=CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccncc1	ZINC000823937079	607536807	/nfs/dbraw/zinc/53/68/07/607536807.db2.gz	HGWUVWIHBAFTTJ-UHFFFAOYSA-N	-1	1	377.437	2.394	20	30		GEEDMM
C=CCn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccncc1	ZINC000823937079	607536809	/nfs/dbraw/zinc/53/68/09/607536809.db2.gz	HGWUVWIHBAFTTJ-UHFFFAOYSA-N	-1	1	377.437	2.394	20	30		GEEDMM
Cn1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1C(=O)[O-]	ZINC000833049343	602371518	/nfs/dbraw/zinc/37/15/18/602371518.db2.gz	TZYSCDBUAKEVEU-UHFFFAOYSA-N	-1	1	381.436	2.335	20	30		GEEDMM
Cn1cc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C(=O)[O-]	ZINC000833049343	602371521	/nfs/dbraw/zinc/37/15/21/602371521.db2.gz	TZYSCDBUAKEVEU-UHFFFAOYSA-N	-1	1	381.436	2.335	20	30		GEEDMM
CN(C(=O)[O-])C1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1	ZINC000737938783	602530257	/nfs/dbraw/zinc/53/02/57/602530257.db2.gz	IRINIBSBCMGDET-HNNXBMFYSA-N	-1	1	379.420	2.298	20	30		GEEDMM
COC(=O)c1cc(NC(=O)CN[C@@H](C)c2cccc(C#N)c2)cc(C(=O)[O-])c1	ZINC000833715697	605124871	/nfs/dbraw/zinc/12/48/71/605124871.db2.gz	YOFAERHTIPEDPJ-LBPRGKRZSA-N	-1	1	381.388	2.332	20	30		GEEDMM
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1	ZINC000834025582	605518606	/nfs/dbraw/zinc/51/86/06/605518606.db2.gz	FLKICIMSOOBTHW-PKOBYXMFSA-N	-1	1	387.455	2.148	20	30		GEEDMM
C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N(CCC#N)c1ccccc1	ZINC000820506517	606133730	/nfs/dbraw/zinc/13/37/30/606133730.db2.gz	BBXXPIIWONCXDX-LBPRGKRZSA-N	-1	1	396.432	2.420	20	30		GEEDMM
C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N(CCC#N)c1ccccc1	ZINC000820506517	606133732	/nfs/dbraw/zinc/13/37/32/606133732.db2.gz	BBXXPIIWONCXDX-LBPRGKRZSA-N	-1	1	396.432	2.420	20	30		GEEDMM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1	ZINC000822542228	606648218	/nfs/dbraw/zinc/64/82/18/606648218.db2.gz	VVZJKRISLLDTDH-UHFFFAOYSA-N	-1	1	375.348	2.183	20	30		GEEDMM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1	ZINC000822542228	606648219	/nfs/dbraw/zinc/64/82/19/606648219.db2.gz	VVZJKRISLLDTDH-UHFFFAOYSA-N	-1	1	375.348	2.183	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2ccc(Br)c(Cl)c2)nc1-c1nn[nH]n1	ZINC000822814502	606968806	/nfs/dbraw/zinc/96/88/06/606968806.db2.gz	GNVIWKCBVGALIV-UHFFFAOYSA-N	-1	1	393.592	2.130	20	30		GEEDMM
CCc1nn(Cc2ccccc2C(C)(C)C#N)c(=O)c(-c2nn[n-]n2)c1CC	ZINC000821516800	607167474	/nfs/dbraw/zinc/16/74/74/607167474.db2.gz	CCFSECAHEYKPCF-UHFFFAOYSA-N	-1	1	377.452	2.398	20	30		GEEDMM
N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1	ZINC000826383879	607868037	/nfs/dbraw/zinc/86/80/37/607868037.db2.gz	WBLUHBYFZKIZQT-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1	ZINC000826383879	607868038	/nfs/dbraw/zinc/86/80/38/607868038.db2.gz	WBLUHBYFZKIZQT-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1	ZINC000826323078	607887103	/nfs/dbraw/zinc/88/71/03/607887103.db2.gz	OVLASBQQAQZJNI-NSHDSACASA-N	-1	1	376.421	2.208	20	30		GEEDMM
Cc1nc(N(C)C)sc1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1	ZINC000826326833	607887693	/nfs/dbraw/zinc/88/76/93/607887693.db2.gz	GSKNUPGOEGIPMG-UHFFFAOYSA-N	-1	1	375.462	2.429	20	30		GEEDMM
C=CCN(CC(=O)[N-]OCc1ccccc1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823903776	608225153	/nfs/dbraw/zinc/22/51/53/608225153.db2.gz	KIQIHPPBEVUXLR-UHFFFAOYSA-N	-1	1	378.436	2.103	20	30		GEEDMM
CSc1[nH]c(=O)c(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1-c1nn[n-]n1	ZINC000826229990	609264080	/nfs/dbraw/zinc/26/40/80/609264080.db2.gz	ZHWNBPMKFUHNCU-SECBINFHSA-N	-1	1	397.420	2.232	20	30		GEEDMM
N#Cc1ccc(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1	ZINC000826385110	609289603	/nfs/dbraw/zinc/28/96/03/609289603.db2.gz	XOZQLUZVHPNILD-UHFFFAOYSA-N	-1	1	388.366	2.244	20	30		GEEDMM
N#Cc1cccc(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1	ZINC000826386617	609293179	/nfs/dbraw/zinc/29/31/79/609293179.db2.gz	MDFMMUZWEIRUKX-UHFFFAOYSA-N	-1	1	388.366	2.244	20	30		GEEDMM
C=C(C)CN(C)C(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1	ZINC000823873248	609349122	/nfs/dbraw/zinc/34/91/22/609349122.db2.gz	KJDRLNZDRVKYAS-UHFFFAOYSA-N	-1	1	393.407	2.027	20	30		GEEDMM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451896947	650150755	/nfs/dbraw/zinc/15/07/55/650150755.db2.gz	HABIHWZZDXTSQJ-OLZOCXBDSA-N	-1	1	389.246	2.472	20	30		GEEDMM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1	ZINC000462082392	650466168	/nfs/dbraw/zinc/46/61/68/650466168.db2.gz	CNCUMWJEJPMIGX-OAHLLOKOSA-N	-1	1	385.511	2.214	20	30		GEEDMM
COC(=O)[C@H]([N-]S(=O)(=O)N(C)[C@H](C)CC#N)c1ccc(Cl)cc1Cl	ZINC000509220480	650490392	/nfs/dbraw/zinc/49/03/92/650490392.db2.gz	XEXWYXCDNIPEKV-NOZJJQNGSA-N	-1	1	394.280	2.276	20	30		GEEDMM
COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1OC	ZINC000509667512	650498599	/nfs/dbraw/zinc/49/85/99/650498599.db2.gz	RHIMJSLLNBNGJQ-UHFFFAOYSA-N	-1	1	381.797	2.203	20	30		GEEDMM
CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1F	ZINC000475809287	650539792	/nfs/dbraw/zinc/53/97/92/650539792.db2.gz	VLEQMBIOQJVVSA-UHFFFAOYSA-N	-1	1	382.438	2.237	20	30		GEEDMM
Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1NS(C)(=O)=O	ZINC000475823140	650540895	/nfs/dbraw/zinc/54/08/95/650540895.db2.gz	YTZIRSAHWRBVCJ-UHFFFAOYSA-N	-1	1	379.463	2.233	20	30		GEEDMM
N#CCS(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)cc1	ZINC000530403338	650724714	/nfs/dbraw/zinc/72/47/14/650724714.db2.gz	ICQIRGYJXMHPGJ-UHFFFAOYSA-N	-1	1	386.401	2.204	20	30		GEEDMM
COCC[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1	ZINC000116711547	643468111	/nfs/dbraw/zinc/46/81/11/643468111.db2.gz	BDOXZRCODWBTMM-XMMPIXPASA-N	-1	1	378.475	2.254	20	30		GEEDMM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c1	ZINC000117739332	643496747	/nfs/dbraw/zinc/49/67/47/643496747.db2.gz	FKQPWQZVFDBQIE-DEOSSOPVSA-N	-1	1	378.475	2.141	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2=O)CCCC1	ZINC000545362176	650970935	/nfs/dbraw/zinc/97/09/35/650970935.db2.gz	IURAYYBOTJLBKZ-OAHLLOKOSA-N	-1	1	381.885	2.449	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)Cc2cccc(Br)c2)o1	ZINC000287558915	646893468	/nfs/dbraw/zinc/89/34/68/646893468.db2.gz	XGMRLFFRZPRSHL-GFCCVEGCSA-N	-1	1	399.266	2.043	20	30		GEEDMM
C[C@@H](C#N)S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Br)cc2)no1	ZINC000416425520	648124044	/nfs/dbraw/zinc/12/40/44/648124044.db2.gz	FCZFLFBHAOWKLS-IUCAKERBSA-N	-1	1	385.243	2.392	20	30		GEEDMM
C[C@H](C#N)S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Br)cc2)no1	ZINC000416425518	648124055	/nfs/dbraw/zinc/12/40/55/648124055.db2.gz	FCZFLFBHAOWKLS-BDAKNGLRSA-N	-1	1	385.243	2.392	20	30		GEEDMM
C[C@H](C#N)S(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(Br)cc2)no1	ZINC000416425521	648124230	/nfs/dbraw/zinc/12/42/30/648124230.db2.gz	FCZFLFBHAOWKLS-RKDXNWHRSA-N	-1	1	385.243	2.392	20	30		GEEDMM
C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1nc2c(s1)CCC2	ZINC000416539538	648165656	/nfs/dbraw/zinc/16/56/56/648165656.db2.gz	SKMQJOUETJAWAQ-VIFPVBQESA-N	-1	1	378.435	2.451	20	30		GEEDMM
COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(N)=O)s2)cc1Cl	ZINC000728147520	651538734	/nfs/dbraw/zinc/53/87/34/651538734.db2.gz	HTHCFGQBKKCIAF-SECBINFHSA-N	-1	1	377.809	2.470	20	30		GEEDMM
CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1	ZINC000609219317	651613900	/nfs/dbraw/zinc/61/39/00/651613900.db2.gz	QJHNYVYRLQMOPK-UHFFFAOYSA-N	-1	1	379.825	2.137	20	30		GEEDMM
C#CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)c1	ZINC000730995860	651614908	/nfs/dbraw/zinc/61/49/08/651614908.db2.gz	LCKXOWFFOMQUDD-UHFFFAOYSA-N	-1	1	383.422	2.042	20	30		GEEDMM
O=S1(=O)[N-]C(=NN=Cc2sc(N3CCCC3)nc2Cl)c2ccccc21	ZINC000735972151	651805089	/nfs/dbraw/zinc/80/50/89/651805089.db2.gz	NQSXOIDWKVIVGX-UHFFFAOYSA-N	-1	1	395.897	2.469	20	30		GEEDMM
CN1c2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc2OCC1=O	ZINC000743269646	652015924	/nfs/dbraw/zinc/01/59/24/652015924.db2.gz	ZPUZRFMTRRNYNU-UHFFFAOYSA-N	-1	1	377.809	2.368	20	30		GEEDMM
C=CCC1(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCC1	ZINC000657186843	652145379	/nfs/dbraw/zinc/14/53/79/652145379.db2.gz	HWEFGLBYAATAQX-UHFFFAOYSA-N	-1	1	376.475	2.364	20	30		GEEDMM
CN(CCC#N)S(=O)(=O)[N-]CC(F)(F)c1ccc(Br)cc1	ZINC000598625455	652825182	/nfs/dbraw/zinc/82/51/82/652825182.db2.gz	QSHJYGDLHXNEKS-UHFFFAOYSA-N	-1	1	382.230	2.221	20	30		GEEDMM
COC(=O)c1cc(S(=O)(=O)[N-][C@H](C#N)C(C)C)c(F)cc1Br	ZINC000768888076	653136122	/nfs/dbraw/zinc/13/61/22/653136122.db2.gz	KBSYAHRLWZNJBS-LLVKDONJSA-N	-1	1	393.234	2.201	20	30		GEEDMM
COCCc1nc(C)c(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)s1	ZINC000770597367	653217067	/nfs/dbraw/zinc/21/70/67/653217067.db2.gz	YRBVJHASYXZZNH-UHFFFAOYSA-N	-1	1	378.479	2.103	20	30		GEEDMM
COc1ccc(C(C)=NNc2nc3[nH][n-]cc-3c(=O)n2)c(Br)c1	ZINC000776186023	653341309	/nfs/dbraw/zinc/34/13/09/653341309.db2.gz	JHDCLFSOPXLJIK-UHFFFAOYSA-N	-1	1	377.202	2.039	20	30		GEEDMM
C=CCC[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-]	ZINC000776586581	653361898	/nfs/dbraw/zinc/36/18/98/653361898.db2.gz	DGBRFTKUCWTJCS-JTQLQIEISA-N	-1	1	384.198	2.425	20	30		GEEDMM
NS(=O)(=O)c1ccc(N=NCc2cc(Cl)c(F)cc2[O-])c([N+](=O)[O-])c1	ZINC000814688213	653638481	/nfs/dbraw/zinc/63/84/81/653638481.db2.gz	OUVRMGWIUUJOMF-UHFFFAOYSA-N	-1	1	388.764	2.186	20	30		GEEDMM
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc(Br)o2)cc1	ZINC000814822369	653639898	/nfs/dbraw/zinc/63/98/98/653639898.db2.gz	NAZAOPJOXCWQFA-UHFFFAOYSA-N	-1	1	388.199	2.404	20	30		GEEDMM
COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)C#N)c(F)cc1Br	ZINC000781773505	653649347	/nfs/dbraw/zinc/64/93/47/653649347.db2.gz	YOMGMQJQZXQJIQ-UHFFFAOYSA-N	-1	1	393.234	2.203	20	30		GEEDMM
C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F	ZINC000841525028	653727229	/nfs/dbraw/zinc/72/72/29/653727229.db2.gz	TXSWBIDFKJXMON-JTQLQIEISA-N	-1	1	379.837	2.261	20	30		GEEDMM
C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl	ZINC000788907604	653765900	/nfs/dbraw/zinc/76/59/00/653765900.db2.gz	XAPCGZXGMPEODH-UHFFFAOYSA-N	-1	1	376.258	2.012	20	30		GEEDMM
C=C(Cl)C[C@@H]([N-]S(=O)(=O)Cc1cc(F)ccc1OC)C(=O)OCC	ZINC000882471608	653783596	/nfs/dbraw/zinc/78/35/96/653783596.db2.gz	XUQAZNJQWFDXOX-CYBMUJFWSA-N	-1	1	379.837	2.328	20	30		GEEDMM
C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc(Br)cc(C#N)c2)o1	ZINC000790856162	653799149	/nfs/dbraw/zinc/79/91/49/653799149.db2.gz	ZMNOINAUAYBDHU-UHFFFAOYSA-N	-1	1	399.222	2.179	20	30		GEEDMM
O=S(=O)(N=S1(=O)CCCC1)[N-]CC#Cc1ccc(C(F)(F)F)cc1	ZINC000866915106	653848751	/nfs/dbraw/zinc/84/87/51/653848751.db2.gz	VNBWGFRJRRMPOR-UHFFFAOYSA-N	-1	1	380.413	2.153	20	30		GEEDMM
N#CCC1(CS(=O)(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)CC1	ZINC000867704539	653974922	/nfs/dbraw/zinc/97/49/22/653974922.db2.gz	OVDCKOSRPBEGIV-UHFFFAOYSA-N	-1	1	383.901	2.187	20	30		GEEDMM
CC(C)(C#N)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795915119	653977227	/nfs/dbraw/zinc/97/72/27/653977227.db2.gz	GBOLRIJNFWUHLW-UHFFFAOYSA-N	-1	1	380.195	2.324	20	30		GEEDMM
C#CC[C@H](CCOC)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F	ZINC000918463091	654151547	/nfs/dbraw/zinc/15/15/47/654151547.db2.gz	MHKVWHIHUIXWGV-SNVBAGLBSA-N	-1	1	394.262	2.304	20	30		GEEDMM
COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(N)=O)cs2)cc1Cl	ZINC000920111098	654203233	/nfs/dbraw/zinc/20/32/33/654203233.db2.gz	JBVPZRUYVSMTMM-SNVBAGLBSA-N	-1	1	377.809	2.470	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccc(OC(F)(F)F)cc2)o1	ZINC000805012950	654335278	/nfs/dbraw/zinc/33/52/78/654335278.db2.gz	XHCSZWLEACCENW-LBPRGKRZSA-N	-1	1	376.312	2.062	20	30		GEEDMM
C=C(Cl)C[C@H](NC(=O)NC[C@H](C(CC)CC)N1CCOCC1)C(=O)[O-]	ZINC000908774755	654639624	/nfs/dbraw/zinc/63/96/24/654639624.db2.gz	VOUJFVHCTYMNSO-LSDHHAIUSA-N	-1	1	375.897	2.018	20	30		GEEDMM
N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)c1	ZINC000153973546	531614600	/nfs/dbraw/zinc/61/46/00/531614600.db2.gz	HKVHWMANNABONC-UHFFFAOYSA-N	-1	1	398.213	2.360	20	30		GEEDMM
C=CCCS(=O)(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000120223767	531978230	/nfs/dbraw/zinc/97/82/30/531978230.db2.gz	PHWWWUZJVUQSFC-UHFFFAOYSA-N	-1	1	380.491	2.483	20	30		GEEDMM
C[C@@H](CCCO)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295288713	532430614	/nfs/dbraw/zinc/43/06/14/532430614.db2.gz	NFHNIRPFPYPFQW-VIFPVBQESA-N	-1	1	379.251	2.147	20	30		GEEDMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1NS(C)(=O)=O	ZINC000525368429	532531670	/nfs/dbraw/zinc/53/16/70/532531670.db2.gz	ONTFPGLGMFKRJU-UHFFFAOYSA-N	-1	1	379.463	2.347	20	30		GEEDMM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F	ZINC000599298631	532657709	/nfs/dbraw/zinc/65/77/09/532657709.db2.gz	ZFVIAAWEOIWGFO-BMIGLBTASA-N	-1	1	375.393	2.011	20	30		GEEDMM
N#Cc1cc([O-])cc(C(=O)NCCNC(=O)c2cccc(Br)c2)c1	ZINC000614298068	532735437	/nfs/dbraw/zinc/73/54/37/532735437.db2.gz	AQTWHPIACHLCPE-UHFFFAOYSA-N	-1	1	388.221	2.186	20	30		GEEDMM
CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451224430	532761965	/nfs/dbraw/zinc/76/19/65/532761965.db2.gz	CCQIEUXTVCUVEH-CYBMUJFWSA-N	-1	1	379.251	2.289	20	30		GEEDMM
CCCCCCC[C@@H](CC(=O)[O-])NS(=O)(=O)c1scnc1C(=O)OC	ZINC000276751605	532900767	/nfs/dbraw/zinc/90/07/67/532900767.db2.gz	GMZOSGRUGZDGRO-NSHDSACASA-N	-1	1	392.499	2.412	20	30		GEEDMM
N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(OC(F)(F)F)cc1	ZINC000737675681	599031335	/nfs/dbraw/zinc/03/13/35/599031335.db2.gz	QSMDFSMSDJTHSI-CYBMUJFWSA-N	-1	1	389.297	2.155	20	30		GEEDMM
N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(OC(F)(F)F)cc1	ZINC000737675681	599031337	/nfs/dbraw/zinc/03/13/37/599031337.db2.gz	QSMDFSMSDJTHSI-CYBMUJFWSA-N	-1	1	389.297	2.155	20	30		GEEDMM
N#C[C@H](C(=O)Nc1cccc2ccccc21)C(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737675088	599152549	/nfs/dbraw/zinc/15/25/49/599152549.db2.gz	YMPUIZDNQIDBKL-HNNXBMFYSA-N	-1	1	383.371	2.376	20	30		GEEDMM
CCCCN(CC)c1ccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1	ZINC000736455717	598284800	/nfs/dbraw/zinc/28/48/00/598284800.db2.gz	AAIQEAHQCIVTGD-UHFFFAOYSA-N	-1	1	379.428	2.340	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)cc1Cl	ZINC000737722244	598593725	/nfs/dbraw/zinc/59/37/25/598593725.db2.gz	GMSHFZWPSMRPRP-UHFFFAOYSA-N	-1	1	378.776	2.332	20	30		GEEDMM
CN=c1scc(-c2cccc([N+](=O)[O-])c2)n1N=Cc1ccc(-c2nnn[n-]2)o1	ZINC000736868038	599324133	/nfs/dbraw/zinc/32/41/33/599324133.db2.gz	NGEQMVHOLCFFFG-UHFFFAOYSA-N	-1	1	396.392	2.311	20	30		GEEDMM
CN=c1scc(-c2cccc([N+](=O)[O-])c2)n1N=Cc1ccc(-c2nn[n-]n2)o1	ZINC000736868038	599324135	/nfs/dbraw/zinc/32/41/35/599324135.db2.gz	NGEQMVHOLCFFFG-UHFFFAOYSA-N	-1	1	396.392	2.311	20	30		GEEDMM
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000736054840	599602406	/nfs/dbraw/zinc/60/24/06/599602406.db2.gz	BFLSNXQGIOLWIA-MRVPVSSYSA-N	-1	1	390.329	2.298	20	30		GEEDMM
N#Cc1cccc(-c2nnc(COC(=O)c3sccc3-c3nn[n-]n3)o2)c1	ZINC000822837160	599659076	/nfs/dbraw/zinc/65/90/76/599659076.db2.gz	HSANGPILGGNDBG-UHFFFAOYSA-N	-1	1	379.361	2.207	20	30		GEEDMM
C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCN1C[C@H](O)c1ccccc1	ZINC000736808016	600568390	/nfs/dbraw/zinc/56/83/90/600568390.db2.gz	NDYHXMGAGMMBJG-CZAAIQMYSA-N	-1	1	379.460	2.424	20	30		GEEDMM
C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@H](C(=O)[O-])C2)c1=S	ZINC000736118101	600714882	/nfs/dbraw/zinc/71/48/82/600714882.db2.gz	QCDYBGFLPPCMPG-INIZCTEOSA-N	-1	1	393.557	2.383	20	30		GEEDMM
C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCN1C[C@H](O)c1ccccc1	ZINC000828413135	601315198	/nfs/dbraw/zinc/31/51/98/601315198.db2.gz	PRKQIKXHWOXWAR-TYCQWZJGSA-N	-1	1	379.460	2.424	20	30		GEEDMM
O=C([O-])c1cc(C=NNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c[nH]1	ZINC000814863157	601798019	/nfs/dbraw/zinc/79/80/19/601798019.db2.gz	BEOPXJFYSSJSEL-UHFFFAOYSA-N	-1	1	391.434	2.416	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c(F)c1	ZINC000833069640	601980626	/nfs/dbraw/zinc/98/06/26/601980626.db2.gz	JUXYLZKNPGMMHI-AWEZNQCLSA-N	-1	1	384.335	2.470	20	30		GEEDMM
C=CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccccn1	ZINC000823937486	607538795	/nfs/dbraw/zinc/53/87/95/607538795.db2.gz	ZVWAJYCVBREUOT-UHFFFAOYSA-N	-1	1	377.437	2.394	20	30		GEEDMM
C=CCn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccccn1	ZINC000823937486	607538797	/nfs/dbraw/zinc/53/87/97/607538797.db2.gz	ZVWAJYCVBREUOT-UHFFFAOYSA-N	-1	1	377.437	2.394	20	30		GEEDMM
CCOc1ccccc1NC(=O)C(C#N)C(=O)c1csc(CNC(=O)[O-])n1	ZINC000739510317	602727875	/nfs/dbraw/zinc/72/78/75/602727875.db2.gz	OFKIGFSNWBHDDG-JTQLQIEISA-N	-1	1	388.405	2.271	20	30		GEEDMM
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1csc(CNC(=O)[O-])n1	ZINC000739510317	602727879	/nfs/dbraw/zinc/72/78/79/602727879.db2.gz	OFKIGFSNWBHDDG-JTQLQIEISA-N	-1	1	388.405	2.271	20	30		GEEDMM
N#Cc1ccc(OCC(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cc1	ZINC000740318935	603060701	/nfs/dbraw/zinc/06/07/01/603060701.db2.gz	JFKSKRNYGICIQR-UHFFFAOYSA-N	-1	1	392.375	2.128	20	30		GEEDMM
N#Cc1ccc(OCC(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cc1	ZINC000740318935	603060703	/nfs/dbraw/zinc/06/07/03/603060703.db2.gz	JFKSKRNYGICIQR-UHFFFAOYSA-N	-1	1	392.375	2.128	20	30		GEEDMM
CN(C[C@H]1CCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(=O)[O-]	ZINC000828222680	603579460	/nfs/dbraw/zinc/57/94/60/603579460.db2.gz	CXUZYODDEWBQAN-HUUCEWRRSA-N	-1	1	379.420	2.298	20	30		GEEDMM
CCOc1ccc(N(CCC#N)C(=O)CN(C)C2CCN(C(=O)[O-])CC2)cc1	ZINC000827434245	603988067	/nfs/dbraw/zinc/98/80/67/603988067.db2.gz	RHTASASBBALPGC-UHFFFAOYSA-N	-1	1	388.468	2.406	20	30		GEEDMM
N#CCC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1	ZINC000826381655	607680236	/nfs/dbraw/zinc/68/02/36/607680236.db2.gz	UBIQHDKAFZFJQQ-HNNXBMFYSA-N	-1	1	386.412	2.329	20	30		GEEDMM
Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CCCOc1cccc(C#N)c1	ZINC000826295256	607716876	/nfs/dbraw/zinc/71/68/76/607716876.db2.gz	ZALMDUUCYKRQBH-UHFFFAOYSA-N	-1	1	387.403	2.226	20	30		GEEDMM
CCCN(Cc1nc2ccccc2c(=O)n1CC#N)C1CCN(C(=O)[O-])CC1	ZINC000826917023	605484519	/nfs/dbraw/zinc/48/45/19/605484519.db2.gz	VZQJGHVWICPQBH-UHFFFAOYSA-N	-1	1	383.452	2.274	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C#N)C1CCCCC1	ZINC000822005958	606363221	/nfs/dbraw/zinc/36/32/21/606363221.db2.gz	VZVRYJGOTKSCRO-OAHLLOKOSA-N	-1	1	383.456	2.105	20	30		GEEDMM
CS(=O)(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1	ZINC000821938087	606390441	/nfs/dbraw/zinc/39/04/41/606390441.db2.gz	WTMRUCGNANIOJG-ALCCZGGFSA-N	-1	1	375.435	2.196	20	30		GEEDMM
N#Cc1cc(Cl)ccc1SCc1cc(=O)n2ncc(-c3nn[n-]n3)c2[nH]1	ZINC000822819549	606629808	/nfs/dbraw/zinc/62/98/08/606629808.db2.gz	VLEZKGDLSUMFNJ-UHFFFAOYSA-N	-1	1	384.812	2.432	20	30		GEEDMM
C=C[C@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000819729807	606814704	/nfs/dbraw/zinc/81/47/04/606814704.db2.gz	NCJRPYMOQVSCGE-NSHDSACASA-N	-1	1	383.412	2.022	20	30		GEEDMM
Cc1cc(C)n(N=C2C[C@H](C)N(Cc3ccccc3)C2)c(=O)c1-c1nn[n-]n1	ZINC000822198553	606861343	/nfs/dbraw/zinc/86/13/43/606861343.db2.gz	AFLGKZOIZTWAEP-AWEZNQCLSA-N	-1	1	377.452	2.144	20	30		GEEDMM
CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C	ZINC000821308614	607032581	/nfs/dbraw/zinc/03/25/81/607032581.db2.gz	DKNOCVIFXANVQZ-UHFFFAOYSA-N	-1	1	383.437	2.279	20	30		GEEDMM
N#Cc1ccccc1CSCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000822842803	607165355	/nfs/dbraw/zinc/16/53/55/607165355.db2.gz	ZNJUXALYOVPRRI-UHFFFAOYSA-N	-1	1	382.409	2.387	20	30		GEEDMM
N#Cc1ccccc1CSCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000822842803	607165356	/nfs/dbraw/zinc/16/53/56/607165356.db2.gz	ZNJUXALYOVPRRI-UHFFFAOYSA-N	-1	1	382.409	2.387	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2ccc(Cl)c(Br)c2)nc1-c1nn[nH]n1	ZINC000826382709	607809565	/nfs/dbraw/zinc/80/95/65/607809565.db2.gz	RKNAKCAEZKBTOU-UHFFFAOYSA-N	-1	1	393.592	2.130	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1Cl	ZINC000826385785	607868043	/nfs/dbraw/zinc/86/80/43/607868043.db2.gz	AINXVCFLMOQSGU-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1Cl	ZINC000826385785	607868044	/nfs/dbraw/zinc/86/80/44/607868044.db2.gz	AINXVCFLMOQSGU-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
C#CCCCOC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[n-]n1	ZINC000823840683	608344933	/nfs/dbraw/zinc/34/49/33/608344933.db2.gz	BGAVOCBSDRBGCH-UHFFFAOYSA-N	-1	1	387.343	2.035	20	30		GEEDMM
C=CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccc(F)cc1	ZINC000823937170	608392866	/nfs/dbraw/zinc/39/28/66/608392866.db2.gz	KXTZLGYZMDHTDY-UHFFFAOYSA-N	-1	1	381.400	2.392	20	30		GEEDMM
C=CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccc(F)cc1	ZINC000823937170	608392868	/nfs/dbraw/zinc/39/28/68/608392868.db2.gz	KXTZLGYZMDHTDY-UHFFFAOYSA-N	-1	1	381.400	2.392	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1cccc(C#N)c1F	ZINC000826232745	608439517	/nfs/dbraw/zinc/43/95/17/608439517.db2.gz	GUYKKUQGBYBJHD-UHFFFAOYSA-N	-1	1	396.382	2.271	20	30		GEEDMM
N#CCC1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1	ZINC000826380693	609409218	/nfs/dbraw/zinc/40/92/18/609409218.db2.gz	JROHZYMBVHZYCO-UHFFFAOYSA-N	-1	1	395.402	2.349	20	30		GEEDMM
C[C@@H](Nc1nccnc1-c1nnn[n-]1)c1ccc(CNc2nccnc2C#N)cc1	ZINC000824671398	609593521	/nfs/dbraw/zinc/59/35/21/609593521.db2.gz	YLRZUVOPSOCAOW-GFCCVEGCSA-N	-1	1	399.422	2.104	20	30		GEEDMM
C[C@@H](Nc1nccnc1-c1nn[n-]n1)c1ccc(CNc2nccnc2C#N)cc1	ZINC000824671398	609593526	/nfs/dbraw/zinc/59/35/26/609593526.db2.gz	YLRZUVOPSOCAOW-GFCCVEGCSA-N	-1	1	399.422	2.104	20	30		GEEDMM
CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451163521	650091942	/nfs/dbraw/zinc/09/19/42/650091942.db2.gz	PRGDXEOSSZSUTK-UHFFFAOYSA-N	-1	1	393.234	2.080	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCN2CC=CCC2)cc1Br	ZINC000451498627	650121237	/nfs/dbraw/zinc/12/12/37/650121237.db2.gz	WVVBXKOTMSUMCE-UHFFFAOYSA-N	-1	1	388.262	2.000	20	30		GEEDMM
CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H](O)CC	ZINC000451982805	650161173	/nfs/dbraw/zinc/16/11/73/650161173.db2.gz	KCGCNKAVYVODQE-NEPJUHHUSA-N	-1	1	379.251	2.288	20	30		GEEDMM
CS(=O)(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1F	ZINC000475792007	650538816	/nfs/dbraw/zinc/53/88/16/650538816.db2.gz	VJTIFIBHRITMAI-UHFFFAOYSA-N	-1	1	383.426	2.064	20	30		GEEDMM
O=S(=O)([N-]CC[C@H](O)C(F)(F)F)c1cccc(OC(F)(F)F)c1F	ZINC000489471588	650759370	/nfs/dbraw/zinc/75/93/70/650759370.db2.gz	FBWDGYMUIIFRHC-QMMMGPOBSA-N	-1	1	385.257	2.316	20	30		GEEDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)co1	ZINC000534420164	650774993	/nfs/dbraw/zinc/77/49/93/650774993.db2.gz	DJUFNWDZTRUDGX-NSHDSACASA-N	-1	1	388.232	2.489	20	30		GEEDMM
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@@H]1CCCSC1	ZINC000329859661	647326027	/nfs/dbraw/zinc/32/60/27/647326027.db2.gz	WVJRHZPPENLPEP-GFCCVEGCSA-N	-1	1	386.495	2.144	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3cc(F)c(Br)cc32)o1	ZINC000367787843	647746154	/nfs/dbraw/zinc/74/61/54/647746154.db2.gz	UKYWMWGIRJXPPB-LLVKDONJSA-N	-1	1	387.186	2.465	20	30		GEEDMM
Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(Br)ccc2C#N)n1	ZINC000416482274	648142068	/nfs/dbraw/zinc/14/20/68/648142068.db2.gz	XORCHJZAMYUGSE-UHFFFAOYSA-N	-1	1	385.243	2.226	20	30		GEEDMM
Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)ccc1C#N	ZINC000435722373	648786177	/nfs/dbraw/zinc/78/61/77/648786177.db2.gz	IVPVJIMFSIOWCF-UHFFFAOYSA-N	-1	1	382.438	2.351	20	30		GEEDMM
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2F)CCNC3=O)c1	ZINC000551473526	651125212	/nfs/dbraw/zinc/12/52/12/651125212.db2.gz	DGIPIYGTBLSUKO-UHFFFAOYSA-N	-1	1	379.800	2.437	20	30		GEEDMM
O=c1nc(NN=C2CCCOc3c(Br)cccc32)nc2[nH][n-]cc1-2	ZINC000733747231	651722560	/nfs/dbraw/zinc/72/25/60/651722560.db2.gz	IQSVMOXLQDZZLZ-UHFFFAOYSA-N	-1	1	389.213	2.183	20	30		GEEDMM
CCOC(=O)CCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000574364933	652018736	/nfs/dbraw/zinc/01/87/36/652018736.db2.gz	PMODIERJFHKPCO-UHFFFAOYSA-N	-1	1	393.234	2.081	20	30		GEEDMM
CN1c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2OCC1=O	ZINC000619620931	652069845	/nfs/dbraw/zinc/06/98/45/652069845.db2.gz	QEUIDEQGFPJJOZ-UHFFFAOYSA-N	-1	1	377.809	2.368	20	30		GEEDMM
Cc1nc2sccn2c1C=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000746491541	652110679	/nfs/dbraw/zinc/11/06/79/652110679.db2.gz	JMUWDNKNXLMTDB-UHFFFAOYSA-N	-1	1	379.423	2.066	20	30		GEEDMM
Cn1cc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)c(C(F)(F)F)n1	ZINC000590160415	652576028	/nfs/dbraw/zinc/57/60/28/652576028.db2.gz	ZQFQJZZCOGGUPK-UHFFFAOYSA-N	-1	1	378.763	2.442	20	30		GEEDMM
CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c1	ZINC000760344725	652604577	/nfs/dbraw/zinc/60/45/77/652604577.db2.gz	UAVQTWBNYGAZLJ-UHFFFAOYSA-N	-1	1	380.447	2.183	20	30		GEEDMM
[O-]c1c(Br)cccc1CN=Nc1nccc(N2CCOCC2)n1	ZINC000762606908	652706754	/nfs/dbraw/zinc/70/67/54/652706754.db2.gz	GCCPEKMMSPAKTE-UHFFFAOYSA-N	-1	1	378.230	2.227	20	30		GEEDMM
C=C(CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1ccccc1	ZINC000672423726	652838270	/nfs/dbraw/zinc/83/82/70/652838270.db2.gz	RPHILMACGQMREE-UHFFFAOYSA-N	-1	1	384.454	2.189	20	30		GEEDMM
Cc1cc(F)cc(C#N)c1S(=O)(=O)[N-][C@H](c1cnn(C)c1)C(F)(F)F	ZINC000601405090	653091999	/nfs/dbraw/zinc/09/19/99/653091999.db2.gz	QTYYKWOSVIHULJ-CYBMUJFWSA-N	-1	1	376.335	2.321	20	30		GEEDMM
CON=CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-]	ZINC000774351713	653235456	/nfs/dbraw/zinc/23/54/56/653235456.db2.gz	XDJOTBKLAJWSQK-UHFFFAOYSA-N	-1	1	383.813	2.417	20	30		GEEDMM
C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)nc1F	ZINC000859145418	653412641	/nfs/dbraw/zinc/41/26/41/653412641.db2.gz	KVLPBXZBWOPNEL-CABZTGNLSA-N	-1	1	379.251	2.243	20	30		GEEDMM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000859425727	653462777	/nfs/dbraw/zinc/46/27/77/653462777.db2.gz	KPEKUXBAEGBSHQ-NSHDSACASA-N	-1	1	391.243	2.064	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)[C@H]1CCCO1	ZINC000841515359	653724864	/nfs/dbraw/zinc/72/48/64/653724864.db2.gz	IQDGZGRYZABXMO-ZIAGYGMSSA-N	-1	1	389.832	2.115	20	30		GEEDMM
C#CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C(=O)OC	ZINC000841541419	653730321	/nfs/dbraw/zinc/73/03/21/653730321.db2.gz	SOCLXTMLCZNZTN-JTQLQIEISA-N	-1	1	398.637	2.085	20	30		GEEDMM
CCC(N=Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1)c1cn[nH]c1	ZINC000789023748	653768203	/nfs/dbraw/zinc/76/82/03/653768203.db2.gz	OBYDYMGZRIJLLB-UHFFFAOYSA-N	-1	1	377.455	2.288	20	30		GEEDMM
NS(=O)(=O)c1ccc(N=NCc2c([O-])ccc(Cl)c2F)c([N+](=O)[O-])c1	ZINC000790136215	653787285	/nfs/dbraw/zinc/78/72/85/653787285.db2.gz	DTJVZAZUWBKGNJ-UHFFFAOYSA-N	-1	1	388.764	2.186	20	30		GEEDMM
C=CCc1cc(C[N-]S(=O)(=O)N=S(=O)(CC)CC)cc(OC)c1OC	ZINC000866678208	653810285	/nfs/dbraw/zinc/81/02/85/653810285.db2.gz	KDDFJZBSCUDAHW-UHFFFAOYSA-N	-1	1	390.527	2.275	20	30		GEEDMM
CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)cnc1Cl	ZINC000844827635	653821579	/nfs/dbraw/zinc/82/15/79/653821579.db2.gz	AEWHSJMMMQOASV-SNVBAGLBSA-N	-1	1	384.708	2.421	20	30		GEEDMM
Cc1cc(=O)[n-]c(NN=Cc2c(Br)n[nH]c2Br)n1	ZINC000792870261	653854630	/nfs/dbraw/zinc/85/46/30/653854630.db2.gz	PQXOIHWFHGCOIU-UHFFFAOYSA-N	-1	1	376.012	2.185	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)C(C)C	ZINC000867224688	653897879	/nfs/dbraw/zinc/89/78/79/653897879.db2.gz	RGVNMFVZQRBJQI-ZUOKHONESA-N	-1	1	393.328	2.398	20	30		GEEDMM
C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F	ZINC000795954157	653979817	/nfs/dbraw/zinc/97/98/17/653979817.db2.gz	GADOBFOLRMXVJB-VIFPVBQESA-N	-1	1	392.246	2.455	20	30		GEEDMM
O=C([O-])COc1ccc(Br)cc1C=NNc1ncnc2nc[nH]c21	ZINC000917556239	654127665	/nfs/dbraw/zinc/12/76/65/654127665.db2.gz	XZCWKDGXIIXSPB-UHFFFAOYSA-N	-1	1	391.185	2.025	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCOC2CCC2)cc1Br	ZINC000830732466	654139183	/nfs/dbraw/zinc/13/91/83/654139183.db2.gz	BTJGGJXUVAGJSU-UHFFFAOYSA-N	-1	1	377.235	2.307	20	30		GEEDMM
N#CC[C@H]([N-]S(=O)(=O)c1c(O)cccc1OC(F)(F)F)C(F)(F)F	ZINC000901949328	654156952	/nfs/dbraw/zinc/15/69/52/654156952.db2.gz	SICAXLTZDSZRAB-QMMMGPOBSA-N	-1	1	378.250	2.414	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC=CO2)cc1Br	ZINC000831195472	654170297	/nfs/dbraw/zinc/17/02/97/654170297.db2.gz	FYLIAKQLTFLFEV-SNVBAGLBSA-N	-1	1	375.219	2.431	20	30		GEEDMM
C=CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OCC	ZINC000832550196	654274298	/nfs/dbraw/zinc/27/42/98/654274298.db2.gz	LZIFVSKSTWPJEW-LLVKDONJSA-N	-1	1	376.818	2.424	20	30		GEEDMM
C=CCCCN(CC)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C)n1	ZINC000903692560	654279777	/nfs/dbraw/zinc/27/97/77/654279777.db2.gz	WXMMEMGIFNCJMA-UHFFFAOYSA-N	-1	1	389.543	2.140	20	30		GEEDMM
Cc1nc(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)c(Br)n1C	ZINC000805082353	654347353	/nfs/dbraw/zinc/34/73/53/654347353.db2.gz	MOFCMBOJUFDXIA-CYBMUJFWSA-N	-1	1	395.282	2.329	20	30		GEEDMM
C[C@H]1CCN(C(=O)C2(C#N)CCSCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F	ZINC000935989532	654932411	/nfs/dbraw/zinc/93/24/11/654932411.db2.gz	XITHYPBIWZZBCJ-SRVKXCTJSA-N	-1	1	377.432	2.327	20	30		GEEDMM
N#C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Br)c1	ZINC000185898663	532339003	/nfs/dbraw/zinc/33/90/03/532339003.db2.gz	ZKRFHNTZGJPRCW-LLVKDONJSA-N	-1	1	377.154	2.453	20	30		GEEDMM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000425180627	532369505	/nfs/dbraw/zinc/36/95/05/532369505.db2.gz	SYIYRINOAYPUGG-CABZTGNLSA-N	-1	1	391.243	2.227	20	30		GEEDMM
C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295153910	532411507	/nfs/dbraw/zinc/41/15/07/532411507.db2.gz	DNBSSBDCGYPXOA-RKDXNWHRSA-N	-1	1	379.251	2.145	20	30		GEEDMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1NS(C)(=O)=O	ZINC000427211867	532416106	/nfs/dbraw/zinc/41/61/06/532416106.db2.gz	MTVMJOGKXKGCSB-UHFFFAOYSA-N	-1	1	383.426	2.178	20	30		GEEDMM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@H]1CCOC1	ZINC000295247895	532426359	/nfs/dbraw/zinc/42/63/59/532426359.db2.gz	QCWGGZQHHBRYCB-BDAKNGLRSA-N	-1	1	377.235	2.163	20	30		GEEDMM
COc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](C[C@H]1CCCO1)C(F)(F)F	ZINC000594490882	532511957	/nfs/dbraw/zinc/51/19/57/532511957.db2.gz	WZGIMKSQSXHYFS-BXUZGUMPSA-N	-1	1	378.372	2.345	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1Br	ZINC000432767643	532544523	/nfs/dbraw/zinc/54/45/23/532544523.db2.gz	LSERVAMRTDENOR-UHFFFAOYSA-N	-1	1	397.250	2.493	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)o1	ZINC000565840810	532579390	/nfs/dbraw/zinc/57/93/90/532579390.db2.gz	MRUHBNRUMBUEKQ-SECBINFHSA-N	-1	1	383.788	2.028	20	30		GEEDMM
C[C@H](C#N)C[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl	ZINC000535719457	532686158	/nfs/dbraw/zinc/68/61/58/532686158.db2.gz	ZPZQOJPTHVNYEE-RXMQYKEDSA-N	-1	1	394.634	2.387	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)c(Cl)c1	ZINC000484558152	532681295	/nfs/dbraw/zinc/68/12/95/532681295.db2.gz	NSSGHKQRTLVSAA-UHFFFAOYSA-N	-1	1	380.765	2.439	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)Cc2ccccc2Br)o1	ZINC000287364698	532792791	/nfs/dbraw/zinc/79/27/91/532792791.db2.gz	MNYIVZDRHFZVLF-LLVKDONJSA-N	-1	1	399.266	2.043	20	30		GEEDMM
CN1C(=O)C[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)cc1	ZINC000287832904	532811148	/nfs/dbraw/zinc/81/11/48/532811148.db2.gz	NRFUQPFBQFEILS-XJKSGUPXSA-N	-1	1	379.825	2.055	20	30		GEEDMM
Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)C1CCC(F)(F)CC1	ZINC000329874486	532812681	/nfs/dbraw/zinc/81/26/81/532812681.db2.gz	CWKIFXLLMUPQEV-UHFFFAOYSA-N	-1	1	383.442	2.217	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CO)cc1Br	ZINC000330808648	532827891	/nfs/dbraw/zinc/82/78/91/532827891.db2.gz	JSRHZDBZMJUZKA-ZANVPECISA-N	-1	1	391.262	2.289	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CC2(O)CCCC2)cc1Br	ZINC000331337394	532838458	/nfs/dbraw/zinc/83/84/58/532838458.db2.gz	QWLMFZPXOVQBLS-UHFFFAOYSA-N	-1	1	377.235	2.043	20	30		GEEDMM
N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1Br	ZINC000737677047	599033590	/nfs/dbraw/zinc/03/35/90/599033590.db2.gz	YTLYTKJTJDTLOH-CYBMUJFWSA-N	-1	1	384.197	2.019	20	30		GEEDMM
N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1Br	ZINC000737677047	599033593	/nfs/dbraw/zinc/03/35/93/599033593.db2.gz	YTLYTKJTJDTLOH-CYBMUJFWSA-N	-1	1	384.197	2.019	20	30		GEEDMM
Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(S[C@H](C)C(=O)N(C)CCC#N)n1	ZINC000737247153	598295916	/nfs/dbraw/zinc/29/59/16/598295916.db2.gz	ZPTWIICUULMHGI-SECBINFHSA-N	-1	1	399.402	2.442	20	30		GEEDMM
COc1ccc(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)c(Cl)c1OC	ZINC000737082724	598418603	/nfs/dbraw/zinc/41/86/03/598418603.db2.gz	JBDWWQMZUOUBEJ-UHFFFAOYSA-N	-1	1	388.815	2.198	20	30		GEEDMM
C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O	ZINC000735977428	598503030	/nfs/dbraw/zinc/50/30/30/598503030.db2.gz	VRWPYWYDTGOTQM-GFCCVEGCSA-N	-1	1	395.448	2.061	20	30		GEEDMM
CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc3ccc(C#N)cn23)o1	ZINC000735657879	599457240	/nfs/dbraw/zinc/45/72/40/599457240.db2.gz	WGHAOABPIXPWBW-UHFFFAOYSA-N	-1	1	376.384	2.118	20	30		GEEDMM
O=C([O-])c1ccccc1C=NNc1ccc(S(=O)(=O)N2CCCCC2)cn1	ZINC000740238892	599730340	/nfs/dbraw/zinc/73/03/40/599730340.db2.gz	BHXABUZKUNELDV-UHFFFAOYSA-N	-1	1	388.449	2.400	20	30		GEEDMM
N#Cc1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000739121669	599802353	/nfs/dbraw/zinc/80/23/53/599802353.db2.gz	UETZQDIGUAYOPT-UHFFFAOYSA-N	-1	1	384.316	2.364	20	30		GEEDMM
NC(=NOCCOc1cccc(C(=O)[O-])c1)c1ccc(N2CCC(O)CC2)cc1	ZINC000833079499	601056776	/nfs/dbraw/zinc/05/67/76/601056776.db2.gz	ZSWPGGOQSHJSPA-UHFFFAOYSA-N	-1	1	399.447	2.062	20	30		GEEDMM
C=CCn1c(CCN2CCCCC2)nn(CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1=S	ZINC000825710806	601816157	/nfs/dbraw/zinc/81/61/57/601816157.db2.gz	BPTAJXLNZDRHIT-JKSUJKDBSA-N	-1	1	393.557	2.238	20	30		GEEDMM
C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccc(C#N)cc1	ZINC000824640993	607586458	/nfs/dbraw/zinc/58/64/58/607586458.db2.gz	QSAHYFLYYWEJDZ-JTQLQIEISA-N	-1	1	388.840	2.431	20	30		GEEDMM
C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccc(C#N)cc1	ZINC000824640993	607586459	/nfs/dbraw/zinc/58/64/59/607586459.db2.gz	QSAHYFLYYWEJDZ-JTQLQIEISA-N	-1	1	388.840	2.431	20	30		GEEDMM
N#Cc1cccc(OCC(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c1	ZINC000831152961	603913629	/nfs/dbraw/zinc/91/36/29/603913629.db2.gz	SYXNNZZHBRQVSM-UHFFFAOYSA-N	-1	1	392.375	2.128	20	30		GEEDMM
N#Cc1cccc(OCC(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c1	ZINC000831152961	603913630	/nfs/dbraw/zinc/91/36/30/603913630.db2.gz	SYXNNZZHBRQVSM-UHFFFAOYSA-N	-1	1	392.375	2.128	20	30		GEEDMM
N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1	ZINC000826385403	607672351	/nfs/dbraw/zinc/67/23/51/607672351.db2.gz	KOYQVVORAWGBMY-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000826385403	607672352	/nfs/dbraw/zinc/67/23/52/607672352.db2.gz	KOYQVVORAWGBMY-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@H](NC(=O)[O-])C3)sc2C1	ZINC000739112708	604430639	/nfs/dbraw/zinc/43/06/39/604430639.db2.gz	GZFZWVYPUPKXJD-VXGBXAGGSA-N	-1	1	376.482	2.415	20	30		GEEDMM
COC(=O)c1cc(NC(=O)CN[C@H](C)c2cccc(C#N)c2)cc(C(=O)[O-])c1	ZINC000833715695	605124947	/nfs/dbraw/zinc/12/49/47/605124947.db2.gz	YOFAERHTIPEDPJ-GFCCVEGCSA-N	-1	1	381.388	2.332	20	30		GEEDMM
C=CCSc1ccccc1NC(=O)CN1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC000833377724	605186757	/nfs/dbraw/zinc/18/67/57/605186757.db2.gz	AFQDQZRTADYJLP-HNNXBMFYSA-N	-1	1	377.510	2.384	20	30		GEEDMM
O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1	ZINC000834025568	605519278	/nfs/dbraw/zinc/51/92/78/605519278.db2.gz	FLKICIMSOOBTHW-HKUYNNGSSA-N	-1	1	387.455	2.148	20	30		GEEDMM
N#Cc1ccccc1Sc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1	ZINC000822842440	606262741	/nfs/dbraw/zinc/26/27/41/606262741.db2.gz	IJWORBPMBUQFCH-UHFFFAOYSA-N	-1	1	388.416	2.357	20	30		GEEDMM
CCC(CC)CN(CCC#N)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O	ZINC000820893353	606697587	/nfs/dbraw/zinc/69/75/87/606697587.db2.gz	OELZHEKRAPWWAV-UHFFFAOYSA-N	-1	1	389.485	2.481	20	30		GEEDMM
N#Cc1ccccc1N1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1	ZINC000822842495	606715442	/nfs/dbraw/zinc/71/54/42/606715442.db2.gz	KZSFGSNTQUTROH-UHFFFAOYSA-N	-1	1	391.395	2.122	20	30		GEEDMM
N#Cc1ccccc1N1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1	ZINC000822842495	606715443	/nfs/dbraw/zinc/71/54/43/606715443.db2.gz	KZSFGSNTQUTROH-UHFFFAOYSA-N	-1	1	391.395	2.122	20	30		GEEDMM
C=CC[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccncc1	ZINC000819733709	606891438	/nfs/dbraw/zinc/89/14/38/606891438.db2.gz	AONFRODXFKAMIK-AWEZNQCLSA-N	-1	1	392.391	2.136	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)nc1-c1nn[nH]n1	ZINC000822814825	606908577	/nfs/dbraw/zinc/90/85/77/606908577.db2.gz	KBASTWXXNUCWDT-UHFFFAOYSA-N	-1	1	391.782	2.429	20	30		GEEDMM
N#Cc1cc(C(F)(F)F)ccc1NCCCc1[nH]nc(N)c1-c1nnn[n-]1	ZINC000822819559	606910206	/nfs/dbraw/zinc/91/02/06/606910206.db2.gz	VYQQSODNUFNCLL-UHFFFAOYSA-N	-1	1	377.334	2.107	20	30		GEEDMM
N#Cc1cc(C(F)(F)F)ccc1NCCCc1[nH]nc(N)c1-c1nn[n-]n1	ZINC000822819559	606910209	/nfs/dbraw/zinc/91/02/09/606910209.db2.gz	VYQQSODNUFNCLL-UHFFFAOYSA-N	-1	1	377.334	2.107	20	30		GEEDMM
C#C[C@@H](Cc1ccccc1)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C	ZINC000823838870	608011902	/nfs/dbraw/zinc/01/19/02/608011902.db2.gz	WBDDDLWUPYXEIN-INIZCTEOSA-N	-1	1	391.431	2.304	20	30		GEEDMM
CCC[C@@H](C#N)N(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F	ZINC000451020104	650080711	/nfs/dbraw/zinc/08/07/11/650080711.db2.gz	VDWOPIGYQOFIDS-ZDUSSCGKSA-N	-1	1	391.490	2.290	20	30		GEEDMM
C=CCCCS(=O)(=O)[N-]c1cc(N2CCOCC2)c(Br)cn1	ZINC000451102770	650086937	/nfs/dbraw/zinc/08/69/37/650086937.db2.gz	KYSANDSRVQZLEV-UHFFFAOYSA-N	-1	1	390.303	2.389	20	30		GEEDMM
CC(C)c1n[nH]c(C(N)=O)c1[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451114260	650088101	/nfs/dbraw/zinc/08/81/01/650088101.db2.gz	KVWYXUMCIYYOKX-UHFFFAOYSA-N	-1	1	381.845	2.152	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CC2(CCO)CCC2)cc1Br	ZINC000451329180	650104046	/nfs/dbraw/zinc/10/40/46/650104046.db2.gz	JPYRACNSRNGTCV-UHFFFAOYSA-N	-1	1	391.262	2.291	20	30		GEEDMM
C[C@@]1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCCOC1	ZINC000451378780	650108955	/nfs/dbraw/zinc/10/89/55/650108955.db2.gz	PUTNEFQKBXRTSQ-CYBMUJFWSA-N	-1	1	377.235	2.307	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCOC2)cc1Br	ZINC000451395220	650110711	/nfs/dbraw/zinc/11/07/11/650110711.db2.gz	PYWMPIYZNZGFRT-VIFPVBQESA-N	-1	1	377.235	2.165	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CC2(CO)CCCC2)cc1Br	ZINC000451421085	650112219	/nfs/dbraw/zinc/11/22/19/650112219.db2.gz	RMNBJLXSABIVPW-UHFFFAOYSA-N	-1	1	391.262	2.291	20	30		GEEDMM
C=C(C)CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC	ZINC000451803679	650143593	/nfs/dbraw/zinc/14/35/93/650143593.db2.gz	RUIDPPBXNKIRND-UHFFFAOYSA-N	-1	1	376.500	2.091	20	30		GEEDMM
CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451876057	650149355	/nfs/dbraw/zinc/14/93/55/650149355.db2.gz	XMFIHPJQWGJUOL-VXGBXAGGSA-N	-1	1	377.235	2.306	20	30		GEEDMM
CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451982808	650161139	/nfs/dbraw/zinc/16/11/39/650161139.db2.gz	KCGCNKAVYVODQE-NWDGAFQWSA-N	-1	1	379.251	2.288	20	30		GEEDMM
Cn1ncc2c1[n-]cc(C(=O)N[C@H](C#N)c1ccc(Br)cc1)c2=O	ZINC000511964580	650543147	/nfs/dbraw/zinc/54/31/47/650543147.db2.gz	LZDCKEXZFCQZNF-CYBMUJFWSA-N	-1	1	386.209	2.431	20	30		GEEDMM
COC[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(C)C	ZINC000514653996	650575844	/nfs/dbraw/zinc/57/58/44/650575844.db2.gz	LUEDIVYBQVFQAN-LBPRGKRZSA-N	-1	1	379.251	2.409	20	30		GEEDMM
CC1(C)C[C@@]1(C#N)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000518538360	650606222	/nfs/dbraw/zinc/60/62/22/650606222.db2.gz	FDQGTMDPTJVSLC-AWEZNQCLSA-N	-1	1	376.265	2.080	20	30		GEEDMM
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl	ZINC000493180221	650793218	/nfs/dbraw/zinc/79/32/18/650793218.db2.gz	KIMNHXHUYGTGHT-UHFFFAOYSA-N	-1	1	399.881	2.263	20	30		GEEDMM
Cc1cc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)c(F)c2)ccc1C#N	ZINC000435722221	648786225	/nfs/dbraw/zinc/78/62/25/648786225.db2.gz	HXNFRXVHNWMFDH-UHFFFAOYSA-N	-1	1	382.438	2.351	20	30		GEEDMM
CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cs1	ZINC000443373706	648874584	/nfs/dbraw/zinc/87/45/84/648874584.db2.gz	OJFBVRWVMMSQFQ-SECBINFHSA-N	-1	1	382.423	2.109	20	30		GEEDMM
C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000554810707	651213816	/nfs/dbraw/zinc/21/38/16/651213816.db2.gz	VFXHQVRFRFRCFO-VIFPVBQESA-N	-1	1	387.234	2.023	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCCn2cccn2)cc1Br	ZINC000554810639	651213847	/nfs/dbraw/zinc/21/38/47/651213847.db2.gz	JIXCSCGZKUINIV-UHFFFAOYSA-N	-1	1	387.234	2.025	20	30		GEEDMM
Cc1cc(NC(=O)C[N-]S(=O)(=O)c2ccc(C#N)o2)ccc1Br	ZINC000561504331	651479725	/nfs/dbraw/zinc/47/97/25/651479725.db2.gz	LBRLYIZLKYGVCO-UHFFFAOYSA-N	-1	1	398.238	2.139	20	30		GEEDMM
COc1ccc(C(C)=NNc2nc3[nH][n-]cc-3c(=O)n2)cc1Br	ZINC000731154267	651619892	/nfs/dbraw/zinc/61/98/92/651619892.db2.gz	CFMNYUAPPAMWJM-UHFFFAOYSA-N	-1	1	377.202	2.039	20	30		GEEDMM
CCOC(=O)c1sc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)nc1C	ZINC000611024955	651701602	/nfs/dbraw/zinc/70/16/02/651701602.db2.gz	NOMMMWKERQATQR-UHFFFAOYSA-N	-1	1	383.426	2.118	20	30		GEEDMM
Cc1ccc(NS(C)(=O)=O)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1	ZINC000619463168	652059531	/nfs/dbraw/zinc/05/95/31/652059531.db2.gz	NFOCSJZVDJGXQT-UHFFFAOYSA-N	-1	1	379.463	2.233	20	30		GEEDMM
CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1	ZINC000748254797	652196721	/nfs/dbraw/zinc/19/67/21/652196721.db2.gz	HCJRKBVINRNKHF-DEOSSOPVSA-N	-1	1	381.435	2.035	20	30		GEEDMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(Br)cn1	ZINC000748254845	652196850	/nfs/dbraw/zinc/19/68/50/652196850.db2.gz	JLEOCUUBCKQWGF-UHFFFAOYSA-N	-1	1	385.199	2.065	20	30		GEEDMM
CCOC(=O)c1sc(C[N-]S(=O)(=O)c2cccc(F)c2C#N)nc1C	ZINC000751487637	652356766	/nfs/dbraw/zinc/35/67/66/652356766.db2.gz	CBAUAPFXKSVOIT-UHFFFAOYSA-N	-1	1	383.426	2.118	20	30		GEEDMM
CSc1cc(Br)ccc1C=NNc1nc2[nH][n-]cc-2c(=O)n1	ZINC000755893187	652479940	/nfs/dbraw/zinc/47/99/40/652479940.db2.gz	IYGGSTOYHSAJNL-UHFFFAOYSA-N	-1	1	379.243	2.362	20	30		GEEDMM
N#Cc1cc([O-])cc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)c1	ZINC000589168662	652560990	/nfs/dbraw/zinc/56/09/90/652560990.db2.gz	YIOUBMSYBZZJEA-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
N#CC[C@@]1(O)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1	ZINC000592852175	652605171	/nfs/dbraw/zinc/60/51/71/652605171.db2.gz	IWNFPCFVJJEOND-MRXNPFEDSA-N	-1	1	376.210	2.194	20	30		GEEDMM
O=S1(=O)[N-]/C(=N/CCCc2nc([C@@H]3CCCS3)no2)c2ccccc21	ZINC000762230246	652681940	/nfs/dbraw/zinc/68/19/40/652681940.db2.gz	DEVAKCLFBCFWNS-LBPRGKRZSA-N	-1	1	378.479	2.309	20	30		GEEDMM
COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)cnc1Cl	ZINC000844828456	653821765	/nfs/dbraw/zinc/82/17/65/653821765.db2.gz	HIQORRSNYDPESK-NSHDSACASA-N	-1	1	382.667	2.095	20	30		GEEDMM
CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl	ZINC000794446586	653908880	/nfs/dbraw/zinc/90/88/80/653908880.db2.gz	ALQLKEMFZSIWFM-UHFFFAOYSA-N	-1	1	390.252	2.281	20	30		GEEDMM
C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1ncccc1Br)C(=O)OCC	ZINC000867589528	653957542	/nfs/dbraw/zinc/95/75/42/653957542.db2.gz	PVXDAISPQRZTGC-SNVBAGLBSA-N	-1	1	397.678	2.197	20	30		GEEDMM
C#CCC1([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)CCOCC1	ZINC000885842940	653959418	/nfs/dbraw/zinc/95/94/18/653959418.db2.gz	KRUJZDMUCTXPJR-UHFFFAOYSA-N	-1	1	389.832	2.117	20	30		GEEDMM
C#C[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1	ZINC000848290665	653969256	/nfs/dbraw/zinc/96/92/56/653969256.db2.gz	DQAXFYULLJHMPJ-NSHDSACASA-N	-1	1	375.277	2.144	20	30		GEEDMM
CCCc1cc(C(=O)[N-]n2c(C)c(Br)c(C)c(C#N)c2=O)n[nH]1	ZINC000848376467	653973664	/nfs/dbraw/zinc/97/36/64/653973664.db2.gz	XAYXSAZCNYBFKN-UHFFFAOYSA-N	-1	1	378.230	2.159	20	30		GEEDMM
C#C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F	ZINC000795955579	653980002	/nfs/dbraw/zinc/98/00/02/653980002.db2.gz	QRYHATCMWLHWNA-QMMMGPOBSA-N	-1	1	378.219	2.065	20	30		GEEDMM
C[C@]1(C#N)CN(C(=O)c2c([O-])cnc3c(Br)cccc32)CCO1	ZINC000887686584	654045096	/nfs/dbraw/zinc/04/50/96/654045096.db2.gz	LBPQENPJCHKVBI-INIZCTEOSA-N	-1	1	376.210	2.458	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F)C(C)C	ZINC000798471849	654065242	/nfs/dbraw/zinc/06/52/42/654065242.db2.gz	CFDGSAXADUZCBP-GFCCVEGCSA-N	-1	1	392.246	2.311	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F)C(C)C	ZINC000798471850	654065290	/nfs/dbraw/zinc/06/52/90/654065290.db2.gz	CFDGSAXADUZCBP-LBPRGKRZSA-N	-1	1	392.246	2.311	20	30		GEEDMM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F	ZINC000916483287	654096802	/nfs/dbraw/zinc/09/68/02/654096802.db2.gz	MMQWCUXHMWBTQV-ONGXEEELSA-N	-1	1	394.262	2.466	20	30		GEEDMM
C#Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)c1	ZINC000799520305	654099436	/nfs/dbraw/zinc/09/94/36/654099436.db2.gz	STEYHJMRKYUQMO-UHFFFAOYSA-N	-1	1	379.235	2.330	20	30		GEEDMM
C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1nc(C)n(C)c1Br	ZINC000805103885	654349617	/nfs/dbraw/zinc/34/96/17/654349617.db2.gz	QPEVWUSUESQWLZ-AWEZNQCLSA-N	-1	1	396.310	2.404	20	30		GEEDMM
N#Cc1ccc(C(=O)NCCNC(=O)c2cccc(Br)c2)cc1[O-]	ZINC000187834706	532345728	/nfs/dbraw/zinc/34/57/28/532345728.db2.gz	OJIDAXRGTGEYAE-UHFFFAOYSA-N	-1	1	388.221	2.186	20	30		GEEDMM
COc1ccc(Cl)cc1NC(=O)CC[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000561469882	532440829	/nfs/dbraw/zinc/44/08/29/532440829.db2.gz	XTDQTGNIXAJDAY-UHFFFAOYSA-N	-1	1	383.813	2.120	20	30		GEEDMM
C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295830259	532480002	/nfs/dbraw/zinc/48/00/02/532480002.db2.gz	CQTGHTAEMZGGDO-VHSXEESVSA-N	-1	1	391.262	2.411	20	30		GEEDMM
N#Cc1cc(Br)ccc1CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1	ZINC000593901661	532501742	/nfs/dbraw/zinc/50/17/42/532501742.db2.gz	QRMDDEVSEMVKBG-UHFFFAOYSA-N	-1	1	391.225	2.358	20	30		GEEDMM
Cc1cc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3C#N)CCOCC2)on1	ZINC000599514437	532664296	/nfs/dbraw/zinc/66/42/96/532664296.db2.gz	IILVDZZRYCZJQH-UHFFFAOYSA-N	-1	1	381.841	2.492	20	30		GEEDMM
N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)c1	ZINC000500672448	532732884	/nfs/dbraw/zinc/73/28/84/532732884.db2.gz	SZARGWKRJXGVBV-UHFFFAOYSA-N	-1	1	378.410	2.428	20	30		GEEDMM
N#CC1([N-]S(=O)(=O)c2c(Br)cc3[nH]c(=O)oc3c2Cl)CC1	ZINC000540651958	532741306	/nfs/dbraw/zinc/74/13/06/532741306.db2.gz	KJCZVYRRZTXFHO-UHFFFAOYSA-N	-1	1	392.618	2.284	20	30		GEEDMM
CSc1nnc(CCC[N-]S(=O)(=O)c2ccc(C#N)o2)n1CC(C)C	ZINC000286599451	532757697	/nfs/dbraw/zinc/75/76/97/532757697.db2.gz	LDICGEHRAZSPNR-UHFFFAOYSA-N	-1	1	383.499	2.032	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccccc2Br)o1	ZINC000287364711	532792775	/nfs/dbraw/zinc/79/27/75/532792775.db2.gz	MNYIVZDRHFZVLF-NSHDSACASA-N	-1	1	399.266	2.043	20	30		GEEDMM
CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)cc1	ZINC000287832900	532810774	/nfs/dbraw/zinc/81/07/74/532810774.db2.gz	NRFUQPFBQFEILS-CZUORRHYSA-N	-1	1	379.825	2.055	20	30		GEEDMM
CN1C(=O)C[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)cc1	ZINC000287832893	532811083	/nfs/dbraw/zinc/81/10/83/532811083.db2.gz	NRFUQPFBQFEILS-BBRMVZONSA-N	-1	1	379.825	2.055	20	30		GEEDMM
C[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@H]1CCCO1	ZINC000330801839	532827296	/nfs/dbraw/zinc/82/72/96/532827296.db2.gz	GXWHHQMILAAPCW-QPUJVOFHSA-N	-1	1	377.235	2.306	20	30		GEEDMM
CC(C)N1CC[C@H](NC(=O)c2ccc(I)c([O-])c2)C1=O	ZINC000330879863	532828722	/nfs/dbraw/zinc/82/87/22/532828722.db2.gz	YACUHHHDEGXJRV-NSHDSACASA-N	-1	1	388.205	2.311	20	30		GEEDMM
CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000288981078	532843728	/nfs/dbraw/zinc/84/37/28/532843728.db2.gz	BIFWPCVVVWOAME-VIFPVBQESA-N	-1	1	379.251	2.147	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C#N)c1ccc(F)cc1	ZINC000737198595	598851186	/nfs/dbraw/zinc/85/11/86/598851186.db2.gz	BDOWKGYXNGECLI-OAHLLOKOSA-N	-1	1	395.398	2.037	20	30		GEEDMM
N#Cc1ccc(N2CCC(Nc3c4ccccc4nnc3-c3nnn[n-]3)CC2)nc1	ZINC000737719398	598965877	/nfs/dbraw/zinc/96/58/77/598965877.db2.gz	TZYAXFXOXYDQIK-UHFFFAOYSA-N	-1	1	398.434	2.157	20	30		GEEDMM
N#Cc1ccc(N2CCC(Nc3c4ccccc4nnc3-c3nn[n-]n3)CC2)nc1	ZINC000737719398	598965878	/nfs/dbraw/zinc/96/58/78/598965878.db2.gz	TZYAXFXOXYDQIK-UHFFFAOYSA-N	-1	1	398.434	2.157	20	30		GEEDMM
C[C@@H](C#N)COC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000819856300	607323078	/nfs/dbraw/zinc/32/30/78/607323078.db2.gz	HKSRJRDDXHOJCE-NSHDSACASA-N	-1	1	397.395	2.034	20	30		GEEDMM
C[C@H](C#N)COC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000819856276	607323181	/nfs/dbraw/zinc/32/31/81/607323181.db2.gz	HKSRJRDDXHOJCE-LLVKDONJSA-N	-1	1	397.395	2.034	20	30		GEEDMM
CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820354221	598225866	/nfs/dbraw/zinc/22/58/66/598225866.db2.gz	NFERBNKMVXCWIS-VLIAUNLRSA-N	-1	1	390.459	2.149	20	30		GEEDMM
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000737317887	598401690	/nfs/dbraw/zinc/40/16/90/598401690.db2.gz	PXFMNQYDHBJWFL-NSHDSACASA-N	-1	1	380.412	2.299	20	30		GEEDMM
COC[C@](C)(C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1	ZINC000821680623	607358375	/nfs/dbraw/zinc/35/83/75/607358375.db2.gz	OUUPDWWZWDKBBG-IBGZPJMESA-N	-1	1	396.382	2.457	20	30		GEEDMM
COC[C@](C)(C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1	ZINC000821680623	607358377	/nfs/dbraw/zinc/35/83/77/607358377.db2.gz	OUUPDWWZWDKBBG-IBGZPJMESA-N	-1	1	396.382	2.457	20	30		GEEDMM
N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)ccc1F	ZINC000737708138	598594121	/nfs/dbraw/zinc/59/41/21/598594121.db2.gz	BHMOWSRIFAJXKY-UHFFFAOYSA-N	-1	1	378.776	2.332	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(CCC#N)CCC(C)C	ZINC000737199563	598753047	/nfs/dbraw/zinc/75/30/47/598753047.db2.gz	IGXIBEKUDCCXDY-UHFFFAOYSA-N	-1	1	385.472	2.305	20	30		GEEDMM
COC(=O)c1cc(S(=O)(=O)Nc2ccc(CC#N)cc2)c(C(=O)[O-])s1	ZINC000737680227	599813597	/nfs/dbraw/zinc/81/35/97/599813597.db2.gz	FYUMCVFVEOEPDK-UHFFFAOYSA-N	-1	1	380.403	2.100	20	30		GEEDMM
N#Cc1ccc([C@H](NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)C(=O)[O-])cc1	ZINC000739107048	600596198	/nfs/dbraw/zinc/59/61/98/600596198.db2.gz	OTDFFZKMLBXSDV-UXHICEINSA-N	-1	1	393.443	2.383	20	30		GEEDMM
C=CCOc1ccc(/C=C/C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1OC	ZINC000825698783	601095409	/nfs/dbraw/zinc/09/54/09/601095409.db2.gz	JJTWGCQXYJSCBR-IQIBNGDESA-N	-1	1	388.464	2.281	20	30		GEEDMM
CS(=O)(=O)Nc1cc(F)ccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000832699619	601349384	/nfs/dbraw/zinc/34/93/84/601349384.db2.gz	MTCVFLHNKYVCCG-HNNXBMFYSA-N	-1	1	392.364	2.052	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)c(F)c1	ZINC000614337599	601981068	/nfs/dbraw/zinc/98/10/68/601981068.db2.gz	VPUXMWCEBMJDLE-CYBMUJFWSA-N	-1	1	388.298	2.219	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c(F)c1	ZINC000833069514	601982301	/nfs/dbraw/zinc/98/23/01/601982301.db2.gz	CEMCTQJYPIPCGS-LBPRGKRZSA-N	-1	1	398.362	2.197	20	30		GEEDMM
CN(C(=O)[O-])c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1	ZINC000830519178	602113262	/nfs/dbraw/zinc/11/32/62/602113262.db2.gz	OFEFPNQKOQZSGK-UHFFFAOYSA-N	-1	1	376.350	2.381	20	30		GEEDMM
N#CCc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1	ZINC000826382494	607577775	/nfs/dbraw/zinc/57/77/75/607577775.db2.gz	HEFZRVIPRUZHPM-UHFFFAOYSA-N	-1	1	375.797	2.354	20	30		GEEDMM
C[C@@H]1CN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[C@H]1NC(=O)[O-]	ZINC000739179028	602775476	/nfs/dbraw/zinc/77/54/76/602775476.db2.gz	KZWMKVHTQXAHRA-VHDGCEQUSA-N	-1	1	379.420	2.202	20	30		GEEDMM
Cc1nc(SCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C#N)c(C)c1C	ZINC000826327922	607599724	/nfs/dbraw/zinc/59/97/24/607599724.db2.gz	ZPQYKOZGADZEFE-UHFFFAOYSA-N	-1	1	395.448	2.289	20	30		GEEDMM
Cc1nc(SCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C#N)c(C)c1C	ZINC000826327922	607599725	/nfs/dbraw/zinc/59/97/25/607599725.db2.gz	ZPQYKOZGADZEFE-UHFFFAOYSA-N	-1	1	395.448	2.289	20	30		GEEDMM
COC(=O)c1cc(S(=O)(=O)Nc2cccc(C#N)c2C)c(C(=O)[O-])s1	ZINC000831348507	604399454	/nfs/dbraw/zinc/39/94/54/604399454.db2.gz	WBQUGLUVFLGOJY-UHFFFAOYSA-N	-1	1	380.403	2.214	20	30		GEEDMM
COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1NC(=O)[O-]	ZINC000829482896	604426167	/nfs/dbraw/zinc/42/61/67/604426167.db2.gz	ALSODTWCKVYWMW-UHFFFAOYSA-N	-1	1	392.349	2.366	20	30		GEEDMM
CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1	ZINC000833572810	604861162	/nfs/dbraw/zinc/86/11/62/604861162.db2.gz	CZNLSVHWOUYDLC-HRAATJIYSA-N	-1	1	398.463	2.106	20	30		GEEDMM
COc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)c(OC)c1C(=O)[O-]	ZINC000833734551	604862109	/nfs/dbraw/zinc/86/21/09/604862109.db2.gz	MFTFGKRDTLDBIV-UHFFFAOYSA-N	-1	1	376.390	2.269	20	30		GEEDMM
N#CCc1ccccc1CC(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1	ZINC000833968730	605309302	/nfs/dbraw/zinc/30/93/02/605309302.db2.gz	WIEPTJILPXSPGI-UHFFFAOYSA-N	-1	1	390.403	2.487	20	30		GEEDMM
N#CCc1ccccc1CC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1	ZINC000833968730	605309307	/nfs/dbraw/zinc/30/93/07/605309307.db2.gz	WIEPTJILPXSPGI-UHFFFAOYSA-N	-1	1	390.403	2.487	20	30		GEEDMM
N#Cc1cc(CN2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)ccc1F	ZINC000833970370	605513605	/nfs/dbraw/zinc/51/36/05/605513605.db2.gz	NBBMFXSYAOMOEW-MAUKXSAKSA-N	-1	1	388.443	2.168	20	30		GEEDMM
N#Cc1ccc(F)c(CN2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c1	ZINC000833972962	605521354	/nfs/dbraw/zinc/52/13/54/605521354.db2.gz	FLSZXNZWISVONH-YJBOKZPZSA-N	-1	1	388.443	2.168	20	30		GEEDMM
N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833962052	606013013	/nfs/dbraw/zinc/01/30/13/606013013.db2.gz	XDZWBVUCTFXMSD-QMMMGPOBSA-N	-1	1	377.719	2.320	20	30		GEEDMM
CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2ccc(-c3nn[n-]n3)s2)C1=O	ZINC000820967895	606368596	/nfs/dbraw/zinc/36/85/96/606368596.db2.gz	XYUVXGUQBAQBAD-QGZVFWFLSA-N	-1	1	381.421	2.119	20	30		GEEDMM
COc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)s2)cc1OC	ZINC000821835590	606369031	/nfs/dbraw/zinc/36/90/31/606369031.db2.gz	NLYQTBPLADSTGH-UHFFFAOYSA-N	-1	1	389.466	2.266	20	30		GEEDMM
CN(C)C(=O)COc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1	ZINC000821578210	606390271	/nfs/dbraw/zinc/39/02/71/606390271.db2.gz	SRZDUPBZGVMHHL-VURMDHGXSA-N	-1	1	383.433	2.291	20	30		GEEDMM
N#Cc1ccc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C(F)(F)F)c1	ZINC000822830239	606442179	/nfs/dbraw/zinc/44/21/79/606442179.db2.gz	YMMZLDQSYBDJIS-UHFFFAOYSA-N	-1	1	377.334	2.107	20	30		GEEDMM
N#Cc1ccc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C(F)(F)F)c1	ZINC000822830239	606442180	/nfs/dbraw/zinc/44/21/80/606442180.db2.gz	YMMZLDQSYBDJIS-UHFFFAOYSA-N	-1	1	377.334	2.107	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1ccc(F)c(C#N)c1	ZINC000822010185	606992088	/nfs/dbraw/zinc/99/20/88/606992088.db2.gz	RJMOFUPHMHKZLW-UHFFFAOYSA-N	-1	1	396.382	2.271	20	30		GEEDMM
Cc1ccc(OCCCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c(Cl)c1	ZINC000822263432	607146073	/nfs/dbraw/zinc/14/60/73/607146073.db2.gz	OPBNOZNWIOYGKE-UHFFFAOYSA-N	-1	1	386.803	2.221	20	30		GEEDMM
Cc1cc(C)n(N=Cc2cc(F)ccc2Br)c(=O)c1-c1nn[n-]n1	ZINC000826265876	608054378	/nfs/dbraw/zinc/05/43/78/608054378.db2.gz	RDSOXVUUZUUNCR-UHFFFAOYSA-N	-1	1	391.204	2.429	20	30		GEEDMM
CC(=NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)c1ccc(-c2nn[n-]n2)s1	ZINC000823962884	608094572	/nfs/dbraw/zinc/09/45/72/608094572.db2.gz	QLNDTYOAWLJTRC-UHFFFAOYSA-N	-1	1	398.456	2.365	20	30		GEEDMM
Cc1cc(C)n(N=Cc2nc3ccc(Cl)cc3n2C)c(=O)c1-c1nn[n-]n1	ZINC000826265752	608110538	/nfs/dbraw/zinc/11/05/38/608110538.db2.gz	LPFFEBCBKSSWEW-UHFFFAOYSA-N	-1	1	382.815	2.068	20	30		GEEDMM
Cc1nn2c(C=NNc3oc(C(C)(C)C)nc3-c3nn[n-]n3)c(C)nc2s1	ZINC000826335115	608229857	/nfs/dbraw/zinc/22/98/57/608229857.db2.gz	YWGOICZNLCSNLY-UHFFFAOYSA-N	-1	1	386.445	2.319	20	30		GEEDMM
COC(=O)COc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cc1	ZINC000826138170	609448752	/nfs/dbraw/zinc/44/87/52/609448752.db2.gz	IICPYLBVBWFVNO-UHFFFAOYSA-N	-1	1	399.411	2.051	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2O)cc1Br	ZINC000451236693	650097156	/nfs/dbraw/zinc/09/71/56/650097156.db2.gz	ARXLTTNNLAOZHA-RNCFNFMXSA-N	-1	1	391.262	2.289	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C2CC2)cc1Br	ZINC000451350190	650105964	/nfs/dbraw/zinc/10/59/64/650105964.db2.gz	CGXLNSCWJXFWEQ-OCCSQVGLSA-N	-1	1	389.246	2.306	20	30		GEEDMM
C=CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)OC	ZINC000481589237	650649938	/nfs/dbraw/zinc/64/99/38/650649938.db2.gz	ZCXDNJKAQWBIFW-SECBINFHSA-N	-1	1	386.228	2.155	20	30		GEEDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)o1	ZINC000068455295	642999269	/nfs/dbraw/zinc/99/92/69/642999269.db2.gz	JCFQOJKCIWSPFL-NSHDSACASA-N	-1	1	388.232	2.489	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)Cc2cccc(Br)c2)o1	ZINC000287558918	646893482	/nfs/dbraw/zinc/89/34/82/646893482.db2.gz	XGMRLFFRZPRSHL-LBPRGKRZSA-N	-1	1	399.266	2.043	20	30		GEEDMM
Cc1nc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c(Br)n1C	ZINC000314743421	647284588	/nfs/dbraw/zinc/28/45/88/647284588.db2.gz	HTRAJFDIDNWNLE-LLVKDONJSA-N	-1	1	375.292	2.242	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCCO2)cc1Br	ZINC000331320255	647380227	/nfs/dbraw/zinc/38/02/27/647380227.db2.gz	KLBLAJCGGZUJRM-SNVBAGLBSA-N	-1	1	377.235	2.307	20	30		GEEDMM
N#Cc1cccc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1Br	ZINC000416953016	648218571	/nfs/dbraw/zinc/21/85/71/648218571.db2.gz	OREZNDYRHQWWGD-LLVKDONJSA-N	-1	1	397.254	2.279	20	30		GEEDMM
C#CCOc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)cc1	ZINC000730996703	651614745	/nfs/dbraw/zinc/61/47/45/651614745.db2.gz	ZCKJCINVBJOBKM-UHFFFAOYSA-N	-1	1	379.459	2.293	20	30		GEEDMM
O=c1nc(N=NC=C2COc3ccc(Br)cc3C2)nc2[nH][n-]cc1-2	ZINC000731155037	651620462	/nfs/dbraw/zinc/62/04/62/651620462.db2.gz	OWASEAZNOVBGHY-UHFFFAOYSA-N	-1	1	387.197	2.068	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c([N+](=O)[O-])c1	ZINC000610156349	651647838	/nfs/dbraw/zinc/64/78/38/651647838.db2.gz	FCFYMHFLENOGTG-UHFFFAOYSA-N	-1	1	380.769	2.020	20	30		GEEDMM
CN1c2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc2OCC1=O	ZINC000743269647	652016046	/nfs/dbraw/zinc/01/60/46/652016046.db2.gz	ZPWKUCUFFBKLQF-UHFFFAOYSA-N	-1	1	377.809	2.368	20	30		GEEDMM
CS(=O)(=O)CCc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1	ZINC000619463477	652059674	/nfs/dbraw/zinc/05/96/74/652059674.db2.gz	FZHKRDFHWOUVND-UHFFFAOYSA-N	-1	1	378.475	2.141	20	30		GEEDMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cn2cc(Cl)ccc2n1	ZINC000748255129	652196752	/nfs/dbraw/zinc/19/67/52/652196752.db2.gz	MMFAAUHGJXNRRL-UHFFFAOYSA-N	-1	1	379.785	2.208	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(OCC(F)(F)F)nc2)o1	ZINC000580596457	652385163	/nfs/dbraw/zinc/38/51/63/652385163.db2.gz	AOZNBRPJBBKFKI-UHFFFAOYSA-N	-1	1	375.328	2.008	20	30		GEEDMM
C[C@]1(C#N)CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1	ZINC000589487249	652567820	/nfs/dbraw/zinc/56/78/20/652567820.db2.gz	IWPOVYWKRBSRSE-OAHLLOKOSA-N	-1	1	390.292	2.424	20	30		GEEDMM
C[C@@H](C#N)N(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1	ZINC000598122654	652799602	/nfs/dbraw/zinc/79/96/02/652799602.db2.gz	FCUFGTIMXXZSMS-VIFPVBQESA-N	-1	1	376.265	2.175	20	30		GEEDMM
C=CCC1([N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)CCOCC1	ZINC000599341860	652862854	/nfs/dbraw/zinc/86/28/54/652862854.db2.gz	MQMZTJHAOYGARA-UHFFFAOYSA-N	-1	1	375.393	2.155	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1	ZINC000766055192	652863888	/nfs/dbraw/zinc/86/38/88/652863888.db2.gz	OYJYTLTUGGJUEH-CYBMUJFWSA-N	-1	1	382.791	2.313	20	30		GEEDMM
O=c1cn[n-]c(=S)n1N=Cc1cccc(Br)c1OC(F)F	ZINC000766478537	652881900	/nfs/dbraw/zinc/88/19/00/652881900.db2.gz	RFQCJCGVDSTDJD-UHFFFAOYSA-N	-1	1	377.170	2.173	20	30		GEEDMM
C=C(C)C[C@H](NC(=O)c1ccc(I)c([O-])c1)C(=O)OC	ZINC000601788748	653126670	/nfs/dbraw/zinc/12/66/70/653126670.db2.gz	XYRJZZAQIVELGL-NSHDSACASA-N	-1	1	389.189	2.234	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br)C(C)(C)C	ZINC000805146847	653102161	/nfs/dbraw/zinc/10/21/61/653102161.db2.gz	NKFXPUIOQBTUBR-SNVBAGLBSA-N	-1	1	378.244	2.155	20	30		GEEDMM
CC#CCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F	ZINC000772938826	653172226	/nfs/dbraw/zinc/17/22/26/653172226.db2.gz	SEUUWBLWYUQGLJ-UHFFFAOYSA-N	-1	1	378.219	2.067	20	30		GEEDMM
CCS(=O)(=O)c1c(Cl)cccc1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000774122894	653225584	/nfs/dbraw/zinc/22/55/84/653225584.db2.gz	YXMIVHWRUVFGDB-ZPIQOJFGSA-N	-1	1	382.821	2.362	20	30		GEEDMM
C[C@@H]1CN(C(=O)c2ccc(I)c([O-])c2)C[C@@H](C)N1CC#N	ZINC000603101285	653227386	/nfs/dbraw/zinc/22/73/86/653227386.db2.gz	ZIHYGGBBBRUJFL-GHMZBOCLSA-N	-1	1	399.232	2.055	20	30		GEEDMM
C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)nc1F	ZINC000859145421	653412804	/nfs/dbraw/zinc/41/28/04/653412804.db2.gz	KVLPBXZBWOPNEL-SKDRFNHKSA-N	-1	1	379.251	2.243	20	30		GEEDMM
Cc1cc(Br)c([O-])c(NC(=O)CCNC(=O)C2N=CC=CC2=O)c1	ZINC000778447001	653444717	/nfs/dbraw/zinc/44/47/17/653444717.db2.gz	LYGQWEUIQDZULA-PEZBUJJGSA-N	-1	1	394.225	2.318	20	30		GEEDMM
C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC	ZINC000859424620	653462244	/nfs/dbraw/zinc/46/22/44/653462244.db2.gz	USQLEQZXVSSWNG-NSHDSACASA-N	-1	1	394.276	2.487	20	30		GEEDMM
C#CC1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1	ZINC000814280757	653626612	/nfs/dbraw/zinc/62/66/12/653626612.db2.gz	KYCWQWJMQXDEFA-UHFFFAOYSA-N	-1	1	375.277	2.144	20	30		GEEDMM
C[N-]S(=O)(=O)c1cc(C(=O)OCC#Cc2cc(Cl)ccc2OC)co1	ZINC000815224404	653655241	/nfs/dbraw/zinc/65/52/41/653655241.db2.gz	WFSNGYAQBRQLPY-UHFFFAOYSA-N	-1	1	383.809	2.058	20	30		GEEDMM
C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F	ZINC000841509346	653723572	/nfs/dbraw/zinc/72/35/72/653723572.db2.gz	MJEJYWYCGBHACP-JTQLQIEISA-N	-1	1	379.837	2.119	20	30		GEEDMM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000819893756	653760628	/nfs/dbraw/zinc/76/06/28/653760628.db2.gz	ZPBOQBRDXHFRTM-CABZTGNLSA-N	-1	1	391.243	2.227	20	30		GEEDMM
N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](O)C(F)(F)C(F)(F)F	ZINC000882781066	653807031	/nfs/dbraw/zinc/80/70/31/653807031.db2.gz	ZJJJKDZDBRTRCP-VIFPVBQESA-N	-1	1	378.706	2.048	20	30		GEEDMM
C#CCC1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1	ZINC000885840712	653959225	/nfs/dbraw/zinc/95/92/25/653959225.db2.gz	MPFPXGKIWRMAFX-UHFFFAOYSA-N	-1	1	376.793	2.238	20	30		GEEDMM
C#CCC[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F	ZINC000795831787	653969314	/nfs/dbraw/zinc/96/93/14/653969314.db2.gz	AYPOUXGMTXQALS-UHFFFAOYSA-N	-1	1	378.219	2.067	20	30		GEEDMM
N#Cc1sccc1S(=O)(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1	ZINC000867704300	653974670	/nfs/dbraw/zinc/97/46/70/653974670.db2.gz	GPSZGWWXQWMCAF-UHFFFAOYSA-N	-1	1	397.909	2.485	20	30		GEEDMM
N#CCN1CCC([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1	ZINC000830423272	654116879	/nfs/dbraw/zinc/11/68/79/654116879.db2.gz	OMMZXOYGAJGHGJ-UHFFFAOYSA-N	-1	1	393.252	2.168	20	30		GEEDMM
C=CCOCCC[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F	ZINC000917383957	654121952	/nfs/dbraw/zinc/12/19/52/654121952.db2.gz	NJAOXQTVDCVNFD-UHFFFAOYSA-N	-1	1	382.251	2.468	20	30		GEEDMM
C#CCCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F	ZINC000830854793	654147191	/nfs/dbraw/zinc/14/71/91/654147191.db2.gz	HUBHHWNEHWGKEH-UHFFFAOYSA-N	-1	1	376.475	2.059	20	30		GEEDMM
C#CCC1(NC(=O)c2cc(I)ccc2[O-])CCOCC1	ZINC000925426580	654544407	/nfs/dbraw/zinc/54/44/07/654544407.db2.gz	PUCRCCSBHPLFQG-UHFFFAOYSA-N	-1	1	385.201	2.299	20	30		GEEDMM
C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl	ZINC000926609949	654577941	/nfs/dbraw/zinc/57/79/41/654577941.db2.gz	VXTBYRCHBTZJOL-UHFFFAOYSA-N	-1	1	384.885	2.065	20	30		GEEDMM
CN(C)CC#CCNC(=O)c1cc(Br)c([O-])c(Br)c1	ZINC000913520087	654797058	/nfs/dbraw/zinc/79/70/58/654797058.db2.gz	CAMOPKTUKFCHGK-UHFFFAOYSA-N	-1	1	390.075	2.212	20	30		GEEDMM
COC(=O)[C@@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1ccc(F)c(C)c1	ZINC000914381049	654849742	/nfs/dbraw/zinc/84/97/42/654849742.db2.gz	LXZCBRFMBQSTPB-HNNXBMFYSA-N	-1	1	382.438	2.401	20	30		GEEDMM
N#Cc1cccc(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)c1Br	ZINC000425316527	532383193	/nfs/dbraw/zinc/38/31/93/532383193.db2.gz	CTRXSJYWMDHQRY-UHFFFAOYSA-N	-1	1	377.198	2.429	20	30		GEEDMM
N#Cc1cccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1Br	ZINC000425316527	532383199	/nfs/dbraw/zinc/38/31/99/532383199.db2.gz	CTRXSJYWMDHQRY-UHFFFAOYSA-N	-1	1	377.198	2.429	20	30		GEEDMM
C[C@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2F)cc1	ZINC000192129748	532387451	/nfs/dbraw/zinc/38/74/51/532387451.db2.gz	TUYTXSIAXSNBNG-GFCCVEGCSA-N	-1	1	382.438	2.453	20	30		GEEDMM
C[C@@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(F)c2)cc1	ZINC000192127967	532387705	/nfs/dbraw/zinc/38/77/05/532387705.db2.gz	SPEDFLCDIRFOKU-LBPRGKRZSA-N	-1	1	382.438	2.453	20	30		GEEDMM
CS(=O)(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1	ZINC000427285340	532419258	/nfs/dbraw/zinc/41/92/58/532419258.db2.gz	VHLKJDHXCKJEGP-UHFFFAOYSA-N	-1	1	382.438	2.085	20	30		GEEDMM
CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000427344072	532422408	/nfs/dbraw/zinc/42/24/08/532422408.db2.gz	ZPOQZQNORCQUGO-UHFFFAOYSA-N	-1	1	387.389	2.009	20	30		GEEDMM
C[C@@H](CO)CCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295224202	532421189	/nfs/dbraw/zinc/42/11/89/532421189.db2.gz	WAEKYAKARUGOEV-SECBINFHSA-N	-1	1	379.251	2.147	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccc(Br)cc2)o1	ZINC000561546297	532445206	/nfs/dbraw/zinc/44/52/06/532445206.db2.gz	NXPSFOZKCXCLAL-LBPRGKRZSA-N	-1	1	399.266	2.043	20	30		GEEDMM
C=CCSCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000563920687	532512758	/nfs/dbraw/zinc/51/27/58/532512758.db2.gz	OWQLHNIAAMFELK-UHFFFAOYSA-N	-1	1	383.322	2.307	20	30		GEEDMM
N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000593902478	532500895	/nfs/dbraw/zinc/50/08/95/532500895.db2.gz	AHHZBKCRYLAIKS-NSHDSACASA-N	-1	1	391.225	2.358	20	30		GEEDMM
N#Cc1ccc(C(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)cc1[O-]	ZINC000566027363	532588319	/nfs/dbraw/zinc/58/83/19/532588319.db2.gz	LEOVAQIBHYXIMT-AWEZNQCLSA-N	-1	1	386.205	2.172	20	30		GEEDMM
CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000285019331	532640049	/nfs/dbraw/zinc/64/00/49/532640049.db2.gz	HLCHRMFVMIEGJI-LLVKDONJSA-N	-1	1	394.272	2.281	20	30		GEEDMM
Cc1cc(C2([N-]S(=O)(=O)c3cccc(Cl)c3C#N)CCOCC2)on1	ZINC000599516221	532665216	/nfs/dbraw/zinc/66/52/16/532665216.db2.gz	YNWFZVOMYLMKAN-UHFFFAOYSA-N	-1	1	381.841	2.492	20	30		GEEDMM
COC(=O)[C@@H]([N-]S(=O)(=O)N(C)C[C@@H](C)C#N)c1ccc(Cl)cc1Cl	ZINC000409510541	532723621	/nfs/dbraw/zinc/72/36/21/532723621.db2.gz	BDUSJZCQCFMNKF-ZANVPECISA-N	-1	1	394.280	2.133	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCCC2(O)CCC2)cc1Br	ZINC000420723714	532885614	/nfs/dbraw/zinc/88/56/14/532885614.db2.gz	YTDHXRXQUCATGL-UHFFFAOYSA-N	-1	1	391.262	2.433	20	30		GEEDMM
N#Cc1c(-c2nn[n-]n2)nc(N)n1CCOc1ccc(Oc2ccccc2)cc1	ZINC000737704341	599164513	/nfs/dbraw/zinc/16/45/13/599164513.db2.gz	DUGHUCRDPKODSV-UHFFFAOYSA-N	-1	1	388.391	2.388	20	30		GEEDMM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1	ZINC000819855442	598226115	/nfs/dbraw/zinc/22/61/15/598226115.db2.gz	CHSXCDHQXQRZDU-FQEVSTJZSA-N	-1	1	386.452	2.444	20	30		GEEDMM
CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CN(C(=O)OC(C)(C)C)C2)o1	ZINC000735850378	598276609	/nfs/dbraw/zinc/27/66/09/598276609.db2.gz	CYSMYNDOUCAMPE-UHFFFAOYSA-N	-1	1	376.421	2.072	20	30		GEEDMM
N#CCCN(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1ccccc1	ZINC000737687224	598504135	/nfs/dbraw/zinc/50/41/35/598504135.db2.gz	PCSCWHRHEXICPK-UHFFFAOYSA-N	-1	1	399.414	2.128	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)CCc2cccc(OC3CCCC3)c2)nc1-c1nn[nH]n1	ZINC000737704460	598528997	/nfs/dbraw/zinc/52/89/97/598528997.db2.gz	GDXMNDJNJUSJAO-UHFFFAOYSA-N	-1	1	392.423	2.354	20	30		GEEDMM
C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000735426265	598687530	/nfs/dbraw/zinc/68/75/30/598687530.db2.gz	NUDLPYLOLAFREL-UHFFFAOYSA-N	-1	1	379.442	2.444	20	30		GEEDMM
CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(-c3cccnc3)n[nH]2)o1	ZINC000819965327	599336496	/nfs/dbraw/zinc/33/64/96/599336496.db2.gz	BOORPZWABVQXHJ-UHFFFAOYSA-N	-1	1	378.400	2.383	20	30		GEEDMM
CS(=O)(=O)Nc1cccc2c1CCN([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2	ZINC000738168742	600566429	/nfs/dbraw/zinc/56/64/29/600566429.db2.gz	WDJIWXNNGSELQY-SFHVURJKSA-N	-1	1	385.445	2.114	20	30		GEEDMM
C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000736075730	600899645	/nfs/dbraw/zinc/89/96/45/600899645.db2.gz	FDLSDPPUXORTSQ-UHFFFAOYSA-N	-1	1	379.365	2.102	20	30		GEEDMM
COc1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC#N)cc1C(=O)[O-]	ZINC000760363286	602118939	/nfs/dbraw/zinc/11/89/39/602118939.db2.gz	CJLBALYGHABARY-UHFFFAOYSA-N	-1	1	380.353	2.236	20	30		GEEDMM
C#CCOc1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1	ZINC000823861363	607609304	/nfs/dbraw/zinc/60/93/04/607609304.db2.gz	FSWBJLQQXPPTJA-UHFFFAOYSA-N	-1	1	390.808	2.300	20	30		GEEDMM
N#Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c(F)c1	ZINC000826384570	607610534	/nfs/dbraw/zinc/61/05/34/607610534.db2.gz	ASEBVLNWFKQKGV-UHFFFAOYSA-N	-1	1	392.803	2.009	20	30		GEEDMM
Cc1csc(=NC[C@@H]2CCCO2)n1N=Cc1ccc(-c2nn[n-]n2)s1	ZINC000826320181	607634108	/nfs/dbraw/zinc/63/41/08/607634108.db2.gz	JBUMHDLKLHZVRU-NSHDSACASA-N	-1	1	375.483	2.062	20	30		GEEDMM
N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1	ZINC000826385479	607651260	/nfs/dbraw/zinc/65/12/60/607651260.db2.gz	OHQCIXWRGJJCJW-UHFFFAOYSA-N	-1	1	392.803	2.009	20	30		GEEDMM
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1	ZINC000833635855	605052676	/nfs/dbraw/zinc/05/26/76/605052676.db2.gz	BGZBBYMTXOFRSJ-DOTOQJQBSA-N	-1	1	388.468	2.058	20	30		GEEDMM
N#Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)c(F)c1	ZINC000833972080	605515209	/nfs/dbraw/zinc/51/52/09/605515209.db2.gz	UQTGQHUIASKDKF-MAUKXSAKSA-N	-1	1	388.443	2.168	20	30		GEEDMM
N#Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1Cl	ZINC000822830085	606136700	/nfs/dbraw/zinc/13/67/00/606136700.db2.gz	UEJIKGSLWGXBQW-UHFFFAOYSA-N	-1	1	388.796	2.249	20	30		GEEDMM
N#Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1Cl	ZINC000822830085	606136701	/nfs/dbraw/zinc/13/67/01/606136701.db2.gz	UEJIKGSLWGXBQW-UHFFFAOYSA-N	-1	1	388.796	2.249	20	30		GEEDMM
CN(C)S(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1	ZINC000821588106	606388836	/nfs/dbraw/zinc/38/88/36/606388836.db2.gz	BCBALLKHFUWMTL-UITAMQMPSA-N	-1	1	389.462	2.075	20	30		GEEDMM
CN(C)C(=O)COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1	ZINC000821578285	606388937	/nfs/dbraw/zinc/38/89/37/606388937.db2.gz	WXWXWEQDWOOGLM-CLFYSBASSA-N	-1	1	383.433	2.291	20	30		GEEDMM
Cc1ccnc([N-][NH+]=Cc2c(C)c(-c3nn[n-]n3)c3[nH]c4ccccc4n3c2=O)c1	ZINC000822374251	606704350	/nfs/dbraw/zinc/70/43/50/606704350.db2.gz	NTBQCJBVTDDWGS-UHFFFAOYSA-N	-1	1	399.418	2.419	20	30		GEEDMM
C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nn[nH]n2)cc1	ZINC000820438920	606885843	/nfs/dbraw/zinc/88/58/43/606885843.db2.gz	ZRMCJLXDSAVRKA-VIFPVBQESA-N	-1	1	390.375	2.056	20	30		GEEDMM
CC(=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O)c1cnn(Cc2ccccc2)c1	ZINC000819783522	607146306	/nfs/dbraw/zinc/14/63/06/607146306.db2.gz	YTOKZLXSCYNDFZ-UHFFFAOYSA-N	-1	1	388.435	2.162	20	30		GEEDMM
Cc1nc(N(C)C)sc1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1	ZINC000826327178	607887184	/nfs/dbraw/zinc/88/71/84/607887184.db2.gz	WKVCBCUWKQGGHW-UHFFFAOYSA-N	-1	1	375.462	2.330	20	30		GEEDMM
C#CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccc1	ZINC000823838248	607937942	/nfs/dbraw/zinc/93/79/42/607937942.db2.gz	MULQOEYTYTYGJT-OAHLLOKOSA-N	-1	1	389.387	2.188	20	30		GEEDMM
COc1cc(O)c(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cc1OC	ZINC000826180869	608534316	/nfs/dbraw/zinc/53/43/16/608534316.db2.gz	AQHBUOVRNIXYPX-UHFFFAOYSA-N	-1	1	387.400	2.222	20	30		GEEDMM
CCOC(=O)[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)CC1(CC#N)CC1	ZINC000451421724	650112682	/nfs/dbraw/zinc/11/26/82/650112682.db2.gz	SKWJRWUPSVWWNR-HNNXBMFYSA-N	-1	1	384.885	2.427	20	30		GEEDMM
C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451531864	650123695	/nfs/dbraw/zinc/12/36/95/650123695.db2.gz	SHYLIGWMPORFOL-RDDDGLTNSA-N	-1	1	379.276	2.490	20	30		GEEDMM
C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451531862	650123802	/nfs/dbraw/zinc/12/38/02/650123802.db2.gz	SHYLIGWMPORFOL-CPCISQLKSA-N	-1	1	379.276	2.490	20	30		GEEDMM
C=CCN(CCC#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F	ZINC000451569304	650126099	/nfs/dbraw/zinc/12/60/99/650126099.db2.gz	RFGVVGYTZGTPAU-UHFFFAOYSA-N	-1	1	389.474	2.068	20	30		GEEDMM
CN(CC(C)(C)C#N)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000452149504	650175894	/nfs/dbraw/zinc/17/58/94/650175894.db2.gz	UEWLHQGZJCFQJZ-UHFFFAOYSA-N	-1	1	378.281	2.280	20	30		GEEDMM
COCC[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC	ZINC000508067233	650473355	/nfs/dbraw/zinc/47/33/55/650473355.db2.gz	IDTHONBQZPEFCC-CQSZACIVSA-N	-1	1	395.264	2.377	20	30		GEEDMM
O=S(=O)([N-][C@H](CO)CC(F)(F)F)c1cccc(OC(F)(F)F)c1F	ZINC000489716888	650762727	/nfs/dbraw/zinc/76/27/27/650762727.db2.gz	NRGDQIAKNLFNHI-LURJTMIESA-N	-1	1	385.257	2.316	20	30		GEEDMM
CCCC(C#N)(CCC)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000537748006	650822947	/nfs/dbraw/zinc/82/29/47/650822947.db2.gz	FSEKDHPYVBDESU-UHFFFAOYSA-N	-1	1	391.490	2.338	20	30		GEEDMM
C=CCCOCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000163427826	644256102	/nfs/dbraw/zinc/25/61/02/644256102.db2.gz	OEVDYUFYEPUNTQ-UHFFFAOYSA-N	-1	1	379.232	2.228	20	30		GEEDMM
N#CC(=C([O-])c1cc(I)cc([N+](=O)[O-])c1)c1ccncn1	ZINC000546859628	651011611	/nfs/dbraw/zinc/01/16/11/651011611.db2.gz	NCMIBQKLJYJFHR-LLVKDONJSA-N	-1	1	394.128	2.479	20	30		GEEDMM
CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000331352694	647380909	/nfs/dbraw/zinc/38/09/09/647380909.db2.gz	ZPFCQPAXPRCAQR-ZDUSSCGKSA-N	-1	1	379.251	2.145	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2O)cc1Br	ZINC000408192022	647935530	/nfs/dbraw/zinc/93/55/30/647935530.db2.gz	JTAKJQYYUZHENM-VXGBXAGGSA-N	-1	1	377.235	2.042	20	30		GEEDMM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1	ZINC000408462171	647955222	/nfs/dbraw/zinc/95/52/22/647955222.db2.gz	YBRSZUQICLRGQM-SCZZXKLOSA-N	-1	1	377.235	2.306	20	30		GEEDMM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(C)(C)CC#N)c(F)c1	ZINC000416533233	648162969	/nfs/dbraw/zinc/16/29/69/648162969.db2.gz	UEJKVFPYSIULNG-UHFFFAOYSA-N	-1	1	391.490	2.196	20	30		GEEDMM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)N(CC(F)F)C(=O)CS2	ZINC000416959883	648219018	/nfs/dbraw/zinc/21/90/18/648219018.db2.gz	NLWCVIXAXNZEHL-JTQLQIEISA-N	-1	1	375.422	2.434	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)CCC1	ZINC000603421269	651489391	/nfs/dbraw/zinc/48/93/91/651489391.db2.gz	DFMREXJIUKFTOD-KGLIPLIRSA-N	-1	1	376.400	2.134	20	30		GEEDMM
CS(=O)(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1	ZINC000609793618	651631631	/nfs/dbraw/zinc/63/16/31/651631631.db2.gz	DMLDSRKQLMBAJC-UHFFFAOYSA-N	-1	1	399.881	2.062	20	30		GEEDMM
N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1	ZINC000572228831	651879683	/nfs/dbraw/zinc/87/96/83/651879683.db2.gz	MWVUBEAOALQNJI-UHFFFAOYSA-N	-1	1	379.781	2.281	20	30		GEEDMM
N#Cc1ccc(CN2CC[C@H]([N-]S(=O)(=O)c3sccc3Cl)C2=O)cc1	ZINC000574150129	652004078	/nfs/dbraw/zinc/00/40/78/652004078.db2.gz	DRRCUTZVICJROT-AWEZNQCLSA-N	-1	1	395.893	2.353	20	30		GEEDMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1c(Cl)nc2sccn12	ZINC000748248052	652196407	/nfs/dbraw/zinc/19/64/07/652196407.db2.gz	DBLLQDMWMWVBLG-UHFFFAOYSA-N	-1	1	385.814	2.270	20	30		GEEDMM
CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1	ZINC000748254798	652196812	/nfs/dbraw/zinc/19/68/12/652196812.db2.gz	HCJRKBVINRNKHF-XMMPIXPASA-N	-1	1	381.435	2.035	20	30		GEEDMM
CC(C)(C)NS(=O)(=O)c1ccc(NN=Cc2cc(C(=O)[O-])cs2)nc1	ZINC000755635614	652470992	/nfs/dbraw/zinc/47/09/92/652470992.db2.gz	AJSMBJRFXOUAPC-UHFFFAOYSA-N	-1	1	382.467	2.364	20	30		GEEDMM
CO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)c(Br)c1)[C@H]1CCOC1	ZINC000594726476	652677091	/nfs/dbraw/zinc/67/70/91/652677091.db2.gz	MEZFCRIQPROGDP-SMDDNHRTSA-N	-1	1	389.271	2.114	20	30		GEEDMM
O=S1(=O)[N-]/C(=N/CCCc2nc([C@H]3CCCS3)no2)c2ccccc21	ZINC000762230044	652681816	/nfs/dbraw/zinc/68/18/16/652681816.db2.gz	DEVAKCLFBCFWNS-GFCCVEGCSA-N	-1	1	378.479	2.309	20	30		GEEDMM
CC(=NNS(C)(=O)=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000764700883	652809593	/nfs/dbraw/zinc/80/95/93/652809593.db2.gz	SQIUIPCSUOVCQS-UHFFFAOYSA-N	-1	1	381.479	2.069	20	30		GEEDMM
Cc1cc(Br)c([O-])c(NC(=O)CCNC(=O)C2N=CC=CC2=O)c1	ZINC000778447000	653444487	/nfs/dbraw/zinc/44/44/87/653444487.db2.gz	LYGQWEUIQDZULA-JQIJEIRASA-N	-1	1	394.225	2.318	20	30		GEEDMM
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCO[C@H](C(F)(F)F)C2)cc1	ZINC000814821911	653639884	/nfs/dbraw/zinc/63/98/84/653639884.db2.gz	CSXYRZKSTAHYPX-LBPRGKRZSA-N	-1	1	381.332	2.112	20	30		GEEDMM
C#CC[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1	ZINC000862556112	653688478	/nfs/dbraw/zinc/68/84/78/653688478.db2.gz	NKENJTXZBCETJT-NSHDSACASA-N	-1	1	375.277	2.144	20	30		GEEDMM
C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F	ZINC000841525030	653727189	/nfs/dbraw/zinc/72/71/89/653727189.db2.gz	TXSWBIDFKJXMON-SNVBAGLBSA-N	-1	1	379.837	2.261	20	30		GEEDMM
C#CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)C(=O)OC	ZINC000841538999	653729919	/nfs/dbraw/zinc/72/99/19/653729919.db2.gz	HCMVOHYOTPCEMP-SNVBAGLBSA-N	-1	1	398.637	2.085	20	30		GEEDMM
Cn1ncc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c1C(F)(F)F	ZINC000867207220	653894603	/nfs/dbraw/zinc/89/46/03/653894603.db2.gz	PUVBAHZWGRCQDK-UHFFFAOYSA-N	-1	1	391.268	2.474	20	30		GEEDMM
C#C[C@H]([N-]S(=O)(=O)N=S(=O)(CC)CC)c1ccc(Br)cc1	ZINC000867317877	653915324	/nfs/dbraw/zinc/91/53/24/653915324.db2.gz	VWCNSFHIQRIGKN-ZDUSSCGKSA-N	-1	1	393.328	2.466	20	30		GEEDMM
CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](C#N)CC)c(F)cc1Br	ZINC000795563986	653958960	/nfs/dbraw/zinc/95/89/60/653958960.db2.gz	NJFOFRANANXULR-QMMMGPOBSA-N	-1	1	393.234	2.345	20	30		GEEDMM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F	ZINC000832348985	654261427	/nfs/dbraw/zinc/26/14/27/654261427.db2.gz	WSRQQWTXWBXDGA-OLZOCXBDSA-N	-1	1	377.821	2.278	20	30		GEEDMM
Cc1nc(S(=O)(=O)[N-][C@H]2CCc3cc(C#N)ccc32)c(Br)n1C	ZINC000805082354	654347290	/nfs/dbraw/zinc/34/72/90/654347290.db2.gz	MOFCMBOJUFDXIA-ZDUSSCGKSA-N	-1	1	395.282	2.329	20	30		GEEDMM
O=C(NCCc1c(F)cc([O-])cc1F)NC[C@H](O)C(F)(F)C(F)(F)F	ZINC000927788308	654614319	/nfs/dbraw/zinc/61/43/19/654614319.db2.gz	HAQZZDRIYDITQK-JTQLQIEISA-N	-1	1	378.244	2.071	20	30		GEEDMM
C=C(Cl)C[C@H](NC(=O)NC[C@@H](C(CC)CC)N1CCOCC1)C(=O)[O-]	ZINC000908774753	654639538	/nfs/dbraw/zinc/63/95/38/654639538.db2.gz	VOUJFVHCTYMNSO-GJZGRUSLSA-N	-1	1	375.897	2.018	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NCCC(N)=O)cc1Cl	ZINC000174748173	532077323	/nfs/dbraw/zinc/07/73/23/532077323.db2.gz	YBMBIXPIUOGOMZ-UHFFFAOYSA-N	-1	1	378.841	2.300	20	30		GEEDMM
N#Cc1cc([O-])cc(C(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)c1	ZINC000590454291	532374110	/nfs/dbraw/zinc/37/41/10/532374110.db2.gz	XNOYNLHSVHZBHB-HNNXBMFYSA-N	-1	1	386.205	2.172	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CSCCN2Cc2ccccc2)o1	ZINC000516884697	532396120	/nfs/dbraw/zinc/39/61/20/532396120.db2.gz	KXQSTZXMUYLOKZ-OAHLLOKOSA-N	-1	1	377.491	2.047	20	30		GEEDMM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1N(C)S(C)(=O)=O	ZINC000466287086	532425152	/nfs/dbraw/zinc/42/51/52/532425152.db2.gz	JWNNGEXRUHPSHS-UHFFFAOYSA-N	-1	1	379.463	2.063	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccccc2Br)o1	ZINC000561525466	532441907	/nfs/dbraw/zinc/44/19/07/532441907.db2.gz	COJBLQCSCDSPCI-CYBMUJFWSA-N	-1	1	385.239	2.316	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCOCC(F)F)cc1Br	ZINC000296207788	532505868	/nfs/dbraw/zinc/50/58/68/532505868.db2.gz	MIYDXDKBGQKYPN-UHFFFAOYSA-N	-1	1	387.177	2.020	20	30		GEEDMM
C=CCC[C@H]([N-]S(=O)(=O)c1ncccc1Br)C(=O)OCC	ZINC000594780633	532528072	/nfs/dbraw/zinc/52/80/72/532528072.db2.gz	SUQSHMNICMTOCE-NSHDSACASA-N	-1	1	377.260	2.020	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CCC1	ZINC000528533148	532570549	/nfs/dbraw/zinc/57/05/49/532570549.db2.gz	GGFGDPIFZQLHDW-CYBMUJFWSA-N	-1	1	385.848	2.198	20	30		GEEDMM
C[C@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000331340716	532838406	/nfs/dbraw/zinc/83/84/06/532838406.db2.gz	SIASTYWYYSIPIM-UONOGXRCSA-N	-1	1	391.262	2.289	20	30		GEEDMM
CCc1nnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1	ZINC000289573685	532859388	/nfs/dbraw/zinc/85/93/88/532859388.db2.gz	PUSNSPHLITVANY-UHFFFAOYSA-N	-1	1	376.385	2.469	20	30		GEEDMM
C[C@H](CC#N)OC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1	ZINC000735964398	598857975	/nfs/dbraw/zinc/85/79/75/598857975.db2.gz	ZLVGEBNFFUUYOG-LLVKDONJSA-N	-1	1	397.395	2.176	20	30		GEEDMM
N#CCCCS(=O)(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1	ZINC000737686828	598877011	/nfs/dbraw/zinc/87/70/11/598877011.db2.gz	MDVQJDQCZCKRPT-UHFFFAOYSA-N	-1	1	388.478	2.318	20	30		GEEDMM
Cc1csc(-c2cccc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)c2)n1	ZINC000737449377	598892325	/nfs/dbraw/zinc/89/23/25/598892325.db2.gz	WTESPUWIVIIKAX-UHFFFAOYSA-N	-1	1	377.393	2.146	20	30		GEEDMM
Cc1ccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1Oc1ccncc1	ZINC000737316168	599106747	/nfs/dbraw/zinc/10/67/47/599106747.db2.gz	UWNQWJRHOKKGDP-UHFFFAOYSA-N	-1	1	387.363	2.210	20	30		GEEDMM
C=CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccncc1	ZINC000735409666	599108164	/nfs/dbraw/zinc/10/81/64/599108164.db2.gz	IAOUVMOKUUPYKM-CYBMUJFWSA-N	-1	1	383.437	2.131	20	30		GEEDMM
N#C[C@@H](C(=O)Nc1cccc2ccccc21)C(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737675089	599152231	/nfs/dbraw/zinc/15/22/31/599152231.db2.gz	YMPUIZDNQIDBKL-OAHLLOKOSA-N	-1	1	383.371	2.376	20	30		GEEDMM
CCc1nn(Cc2cc(Cl)ccc2OCC#N)c(=O)c(-c2nn[n-]n2)c1CC	ZINC000736705943	599222497	/nfs/dbraw/zinc/22/24/97/599222497.db2.gz	DJNBBUFOZGJIPZ-UHFFFAOYSA-N	-1	1	399.842	2.152	20	30		GEEDMM
C#Cc1cccc(NC(=S)NNc2oc(CC(C)C)nc2-c2nn[n-]n2)c1	ZINC000735391371	598323499	/nfs/dbraw/zinc/32/34/99/598323499.db2.gz	RDOJZTSFGBSCSQ-UHFFFAOYSA-N	-1	1	382.453	2.348	20	30		GEEDMM
C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1	ZINC000736165183	598423352	/nfs/dbraw/zinc/42/33/52/598423352.db2.gz	SKGHQLFEYZYYQH-LURJTMIESA-N	-1	1	393.194	2.174	20	30		GEEDMM
COc1ccc(CCCCCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1	ZINC000737089670	598471285	/nfs/dbraw/zinc/47/12/85/598471285.db2.gz	TYWNWDNGCXQUCB-UHFFFAOYSA-N	-1	1	380.412	2.212	20	30		GEEDMM
C#CC[C@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1ccccn1	ZINC000735374413	598510485	/nfs/dbraw/zinc/51/04/85/598510485.db2.gz	CMYSULKGDPCEGI-INIZCTEOSA-N	-1	1	392.419	2.220	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2csc(-c3cccc(Cl)c3)n2)nc1-c1nn[nH]n1	ZINC000737706222	598718749	/nfs/dbraw/zinc/71/87/49/598718749.db2.gz	WUBHNKVXZYCFLN-UHFFFAOYSA-N	-1	1	397.811	2.491	20	30		GEEDMM
N#Cc1cnc2ccccc2c1N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1	ZINC000737728701	599422870	/nfs/dbraw/zinc/42/28/70/599422870.db2.gz	UEBMEGVASUQKDL-UHFFFAOYSA-N	-1	1	383.419	2.008	20	30		GEEDMM
N#Cc1cnc2ccccc2c1N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1	ZINC000737728701	599422871	/nfs/dbraw/zinc/42/28/71/599422871.db2.gz	UEBMEGVASUQKDL-UHFFFAOYSA-N	-1	1	383.419	2.008	20	30		GEEDMM
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc(C#N)cc2C)c1OC	ZINC000484957062	600897622	/nfs/dbraw/zinc/89/76/22/600897622.db2.gz	YRXBPPVZUMQNFF-UHFFFAOYSA-N	-1	1	376.390	2.383	20	30		GEEDMM
COC[C@](C)(CC(=O)[O-])NCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000831578676	601133404	/nfs/dbraw/zinc/13/34/04/601133404.db2.gz	PURCWFRJWQYJOX-SFHVURJKSA-N	-1	1	379.482	2.297	20	30		GEEDMM
CN(C(=O)[O-])C1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1	ZINC000737938787	602530080	/nfs/dbraw/zinc/53/00/80/602530080.db2.gz	IRINIBSBCMGDET-OAHLLOKOSA-N	-1	1	379.420	2.298	20	30		GEEDMM
C#CCOc1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000823861371	607611324	/nfs/dbraw/zinc/61/13/24/607611324.db2.gz	FYCWVCFPORHMLE-UHFFFAOYSA-N	-1	1	390.808	2.300	20	30		GEEDMM
C#CCOc1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1	ZINC000823861371	607611325	/nfs/dbraw/zinc/61/13/25/607611325.db2.gz	FYCWVCFPORHMLE-UHFFFAOYSA-N	-1	1	390.808	2.300	20	30		GEEDMM
Fc1ccc(C#CCN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cc1	ZINC000826373217	607643674	/nfs/dbraw/zinc/64/36/74/607643674.db2.gz	DPXYPJIBKSHKNY-UHFFFAOYSA-N	-1	1	393.426	2.045	20	30		GEEDMM
N#CC(C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])c1nnc2n1CCCCC2	ZINC000831063988	604227442	/nfs/dbraw/zinc/22/74/42/604227442.db2.gz	ALFZZXWHLGMWDA-CVEARBPZSA-N	-1	1	381.436	2.450	20	30		GEEDMM
N#CCCCOc1cccnc1NS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833760304	605022694	/nfs/dbraw/zinc/02/26/94/605022694.db2.gz	NBNXIYYVJHUVAK-UHFFFAOYSA-N	-1	1	375.406	2.404	20	30		GEEDMM
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1	ZINC000833635862	605052233	/nfs/dbraw/zinc/05/22/33/605052233.db2.gz	BGZBBYMTXOFRSJ-WBVHZDCISA-N	-1	1	388.468	2.058	20	30		GEEDMM
Cc1nn(CCS(C)(=O)=O)c(C)c1C(C)N=Nc1ccccc1C(=O)[O-]	ZINC000763153221	605098278	/nfs/dbraw/zinc/09/82/78/605098278.db2.gz	AIQOWXDTYOJREM-UHFFFAOYSA-N	-1	1	378.454	2.079	20	30		GEEDMM
C=CCOc1ccc(/C=C/C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc1OC	ZINC000833378205	605275561	/nfs/dbraw/zinc/27/55/61/605275561.db2.gz	ZINKQCQJGWYAOH-IQIBNGDESA-N	-1	1	388.464	2.281	20	30		GEEDMM
CC1=C(C(=O)[O-])C[C@@H](CN2CCN(c3c(C#N)cnc4ccccc43)CC2)O1	ZINC000833581517	605322631	/nfs/dbraw/zinc/32/26/31/605322631.db2.gz	XSIXOLASAOPBPF-INIZCTEOSA-N	-1	1	378.432	2.376	20	30		GEEDMM
C[C@]1(CCc2ccccc2)NC(=O)N(N=Cc2ccc(-c3nn[n-]n3)s2)C1=O	ZINC000820613274	606368663	/nfs/dbraw/zinc/36/86/63/606368663.db2.gz	YNOHRWSQOJHYTA-GOSISDBHSA-N	-1	1	395.448	2.205	20	30		GEEDMM
CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000821601471	606443431	/nfs/dbraw/zinc/44/34/31/606443431.db2.gz	JDABSUWVSYPKPD-UHFFFAOYSA-N	-1	1	391.361	2.131	20	30		GEEDMM
CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000821601471	606443433	/nfs/dbraw/zinc/44/34/33/606443433.db2.gz	JDABSUWVSYPKPD-UHFFFAOYSA-N	-1	1	391.361	2.131	20	30		GEEDMM
CSc1[nH]c(=O)c(C(=O)N(CCC#N)CCC(C)C)cc1-c1nn[n-]n1	ZINC000821970992	606585313	/nfs/dbraw/zinc/58/53/13/606585313.db2.gz	VEYMYIQUBPJOCJ-UHFFFAOYSA-N	-1	1	375.458	2.091	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2cc(-c3ccccn3)ccc2Cl)nc1-c1nn[nH]n1	ZINC000826382707	607863240	/nfs/dbraw/zinc/86/32/40/607863240.db2.gz	RIDZUMUAVNNREU-UHFFFAOYSA-N	-1	1	391.782	2.429	20	30		GEEDMM
N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1	ZINC000826385208	607998015	/nfs/dbraw/zinc/99/80/15/607998015.db2.gz	BJADFMSTIBVDTM-MRXNPFEDSA-N	-1	1	375.392	2.051	20	30		GEEDMM
Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC1(C#N)CCCC1	ZINC000826328233	609157644	/nfs/dbraw/zinc/15/76/44/609157644.db2.gz	JYOOALCAMSVBOC-UHFFFAOYSA-N	-1	1	394.439	2.086	20	30		GEEDMM
Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC1(C#N)CCCC1	ZINC000826328233	609157645	/nfs/dbraw/zinc/15/76/45/609157645.db2.gz	JYOOALCAMSVBOC-UHFFFAOYSA-N	-1	1	394.439	2.086	20	30		GEEDMM
C=C(C)CN(CC)C(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1	ZINC000823877812	609278198	/nfs/dbraw/zinc/27/81/98/609278198.db2.gz	GHJMVPVVQHEQKM-UHFFFAOYSA-N	-1	1	384.419	2.028	20	30		GEEDMM
C[C@@H](Nc1ccc(C#N)nn1)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1	ZINC000824656875	609593621	/nfs/dbraw/zinc/59/36/21/609593621.db2.gz	NOBPIAVUPNTOSN-GFCCVEGCSA-N	-1	1	399.422	2.104	20	30		GEEDMM
C[C@@H](Nc1ccc(C#N)nn1)c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1	ZINC000824656875	609593623	/nfs/dbraw/zinc/59/36/23/609593623.db2.gz	NOBPIAVUPNTOSN-GFCCVEGCSA-N	-1	1	399.422	2.104	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](O)C2)cc1Br	ZINC000451242265	650097747	/nfs/dbraw/zinc/09/77/47/650097747.db2.gz	MGJZGDRVXXOSAW-GXSJLCMTSA-N	-1	1	391.262	2.289	20	30		GEEDMM
COC(=O)[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccc(OC)c(Cl)c1	ZINC000451416892	650112340	/nfs/dbraw/zinc/11/23/40/650112340.db2.gz	KDLGBADPQVIPJE-AWEZNQCLSA-N	-1	1	386.857	2.176	20	30		GEEDMM
CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451559094	650124857	/nfs/dbraw/zinc/12/48/57/650124857.db2.gz	GVANCGWCDNZNSA-SNVBAGLBSA-N	-1	1	379.251	2.003	20	30		GEEDMM
N#Cc1ccnc(N2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)c1	ZINC000481969465	650657232	/nfs/dbraw/zinc/65/72/32/650657232.db2.gz	UUIDTJUCVDUDOB-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
N#CC1(CS(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3)C2=O)CCCC1	ZINC000545356766	650970978	/nfs/dbraw/zinc/97/09/78/650970978.db2.gz	JLPPUNSADRXTHQ-HNNXBMFYSA-N	-1	1	381.885	2.449	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@H]23)cc1Br	ZINC000408457408	647954332	/nfs/dbraw/zinc/95/43/32/647954332.db2.gz	BDNYGXZBGWLHNK-OASPWFOLSA-N	-1	1	389.246	2.306	20	30		GEEDMM
COCC[C@H](C)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000416580757	648176558	/nfs/dbraw/zinc/17/65/58/648176558.db2.gz	JPXFBUXUBXEIQU-VIFPVBQESA-N	-1	1	379.251	2.411	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Br)c3c(c2)OCCO3)o1	ZINC000553462791	651176558	/nfs/dbraw/zinc/17/65/58/651176558.db2.gz	IWLISYMJEGIHCX-UHFFFAOYSA-N	-1	1	399.222	2.163	20	30		GEEDMM
CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)no1	ZINC000553874498	651191886	/nfs/dbraw/zinc/19/18/86/651191886.db2.gz	HQBZTKZXKHAODT-UHFFFAOYSA-N	-1	1	399.270	2.480	20	30		GEEDMM
CN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1	ZINC000603970043	651505782	/nfs/dbraw/zinc/50/57/82/651505782.db2.gz	WRVVTYONJOHRMZ-UHFFFAOYSA-N	-1	1	399.881	2.263	20	30		GEEDMM
CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1F	ZINC000619463292	652059762	/nfs/dbraw/zinc/05/97/62/652059762.db2.gz	DWUGVUFWTQZIII-UHFFFAOYSA-N	-1	1	382.438	2.237	20	30		GEEDMM
CCN(C[C@@H](C)C#N)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000584380916	652518929	/nfs/dbraw/zinc/51/89/29/652518929.db2.gz	YNRFWBMXLQDZHK-JTQLQIEISA-N	-1	1	378.281	2.280	20	30		GEEDMM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F	ZINC000762556815	652703265	/nfs/dbraw/zinc/70/32/65/652703265.db2.gz	WLZFUGQNNLVTSB-QMMMGPOBSA-N	-1	1	393.234	2.345	20	30		GEEDMM
C[C@@H](C#N)CN(C)S(=O)(=O)[N-]CC(F)(F)c1ccc(Br)cc1	ZINC000598625445	652825212	/nfs/dbraw/zinc/82/52/12/652825212.db2.gz	QLNOMSYLCPJMNW-JTQLQIEISA-N	-1	1	396.257	2.467	20	30		GEEDMM
CN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCC[C@@H]1C#N	ZINC000601825596	653128992	/nfs/dbraw/zinc/12/89/92/653128992.db2.gz	IZQIUCQYTQWJGS-MFKMUULPSA-N	-1	1	390.292	2.422	20	30		GEEDMM
CCS(=O)(=O)c1c(Cl)cccc1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000774122893	653225564	/nfs/dbraw/zinc/22/55/64/653225564.db2.gz	YXMIVHWRUVFGDB-MVGZEHJDSA-N	-1	1	382.821	2.362	20	30		GEEDMM
C#CCCN1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1	ZINC000810202518	653330972	/nfs/dbraw/zinc/33/09/72/653330972.db2.gz	DGBQBWRDQJGMQI-UHFFFAOYSA-N	-1	1	388.265	2.484	20	30		GEEDMM
O=c1nc(NN=Cc2cccc(Br)c2OC(F)F)nc2[nH][n-]cc1-2	ZINC000776769782	653376065	/nfs/dbraw/zinc/37/60/65/653376065.db2.gz	XTMDRSLVKPWJEF-UHFFFAOYSA-N	-1	1	399.155	2.242	20	30		GEEDMM
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2COc3ccc(Cl)cc32)cc1	ZINC000814822576	653639924	/nfs/dbraw/zinc/63/99/24/653639924.db2.gz	TUIVJNHBSGHMFP-UHFFFAOYSA-N	-1	1	381.797	2.464	20	30		GEEDMM
C[N-]S(=O)(=O)c1ccc(C(=O)OCC#Cc2cc(Cl)ccc2OC)o1	ZINC000815190505	653654504	/nfs/dbraw/zinc/65/45/04/653654504.db2.gz	WCMSOFAWKPWRHA-UHFFFAOYSA-N	-1	1	383.809	2.058	20	30		GEEDMM
N#CC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCC1	ZINC000841573346	653736750	/nfs/dbraw/zinc/73/67/50/653736750.db2.gz	WJRIPCNLGYQKLM-UHFFFAOYSA-N	-1	1	392.206	2.469	20	30		GEEDMM
O=C(OCCOCC(F)(F)C(F)(F)F)[C@@H]1CC[C@@H](C(F)(F)F)[N-]C1=O	ZINC000787631605	653741284	/nfs/dbraw/zinc/74/12/84/653741284.db2.gz	CQLUFZMNFYLHTL-RQJHMYQMSA-N	-1	1	387.223	2.201	20	30		GEEDMM
C#CCCCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(I)c1	ZINC000820802640	653784337	/nfs/dbraw/zinc/78/43/37/653784337.db2.gz	QAUSXEUKDRJRDY-UHFFFAOYSA-N	-1	1	394.190	2.355	20	30		GEEDMM
C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(Br)cc(C#N)c2)co1	ZINC000790859686	653799373	/nfs/dbraw/zinc/79/93/73/653799373.db2.gz	DJIQZJGMOFIFGG-UHFFFAOYSA-N	-1	1	399.222	2.179	20	30		GEEDMM
Cn1ncc(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)c1C(F)(F)F	ZINC000866933334	653851697	/nfs/dbraw/zinc/85/16/97/653851697.db2.gz	FLNQMBPZQAVYHK-UHFFFAOYSA-N	-1	1	391.268	2.474	20	30		GEEDMM
CC[C@@H](NN=Cc1ccc(Cl)c(I)c1O)C(=O)[O-]	ZINC000793056384	653864696	/nfs/dbraw/zinc/86/46/96/653864696.db2.gz	GTKVFNIQEMXJPD-MRVPVSSYSA-N	-1	1	382.585	2.437	20	30		GEEDMM
C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)OCC	ZINC000867588409	653957405	/nfs/dbraw/zinc/95/74/05/653957405.db2.gz	BMQBTLQZSAIDRO-SECBINFHSA-N	-1	1	386.779	2.453	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC=CO2)cc1Br	ZINC000831195469	654170322	/nfs/dbraw/zinc/17/03/22/654170322.db2.gz	FYLIAKQLTFLFEV-JTQLQIEISA-N	-1	1	375.219	2.431	20	30		GEEDMM
C=CCn1c(C)nn(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1=S	ZINC000853622333	654311042	/nfs/dbraw/zinc/31/10/42/654311042.db2.gz	WVPLXOKCVKEIPU-PWSUYJOCSA-N	-1	1	377.436	2.255	20	30		GEEDMM
C=C(C)COCC[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F	ZINC000914253639	654839152	/nfs/dbraw/zinc/83/91/52/654839152.db2.gz	KDVZTWIVJCYTTR-UHFFFAOYSA-N	-1	1	382.251	2.468	20	30		GEEDMM
N#CCCn1ccc(NC(=O)c2cc(I)ccc2[O-])n1	ZINC000173699135	532028231	/nfs/dbraw/zinc/02/82/31/532028231.db2.gz	IIPQGUDYESPVFR-UHFFFAOYSA-N	-1	1	382.161	2.359	20	30		GEEDMM
N#Cc1ccc(C(=O)NCCNC(=O)c2ccc(Br)cc2)cc1[O-]	ZINC000190944300	532358805	/nfs/dbraw/zinc/35/88/05/532358805.db2.gz	XWKLKXZZKVWMCL-UHFFFAOYSA-N	-1	1	388.221	2.186	20	30		GEEDMM
N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000560057661	532411342	/nfs/dbraw/zinc/41/13/42/532411342.db2.gz	OBUFSBHSYZRFPB-UHFFFAOYSA-N	-1	1	379.781	2.281	20	30		GEEDMM
C[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@H]1CCOC1	ZINC000295247900	532426372	/nfs/dbraw/zinc/42/63/72/532426372.db2.gz	QCWGGZQHHBRYCB-IUCAKERBSA-N	-1	1	377.235	2.163	20	30		GEEDMM
CCOC(=O)CSc1nnc([N-]C(=O)c2ncc(C#N)cc2Cl)s1	ZINC000427917825	532436722	/nfs/dbraw/zinc/43/67/22/532436722.db2.gz	QIGDJGBVPJGCCL-UHFFFAOYSA-N	-1	1	383.842	2.366	20	30		GEEDMM
C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000295830484	532481079	/nfs/dbraw/zinc/48/10/79/532481079.db2.gz	CKAVWQAFLVFLSX-PRHODGIISA-N	-1	1	377.235	2.163	20	30		GEEDMM
C=C(C)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(Cl)cc1C	ZINC000656375790	532618745	/nfs/dbraw/zinc/61/87/45/532618745.db2.gz	VJRJHJNBTTYYCG-UHFFFAOYSA-N	-1	1	395.934	2.013	20	30		GEEDMM
COCCNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1	ZINC000435504629	532620279	/nfs/dbraw/zinc/62/02/79/532620279.db2.gz	JBVLNJGEZUKEAN-UHFFFAOYSA-N	-1	1	399.881	2.450	20	30		GEEDMM
N#Cc1ccnc(N2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)c1	ZINC000436759070	532643366	/nfs/dbraw/zinc/64/33/66/532643366.db2.gz	RLLWJZNWHIPDLC-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
N#Cc1cccc(N2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)n1	ZINC000436983987	532647781	/nfs/dbraw/zinc/64/77/81/532647781.db2.gz	XZORWFFYLJFHCU-UHFFFAOYSA-N	-1	1	387.237	2.384	20	30		GEEDMM
N#CCN1CCC([N-]S(=O)(=O)c2cc(Br)sc2Cl)CC1	ZINC000610915213	532719844	/nfs/dbraw/zinc/71/98/44/532719844.db2.gz	KKJOMBQMUOMWLB-UHFFFAOYSA-N	-1	1	398.735	2.430	20	30		GEEDMM
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1	ZINC000540899284	532748089	/nfs/dbraw/zinc/74/80/89/532748089.db2.gz	YIUJUAMIRYYPGZ-UHFFFAOYSA-N	-1	1	399.881	2.263	20	30		GEEDMM
CCc1nnc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)s1	ZINC000289552815	532858686	/nfs/dbraw/zinc/85/86/86/532858686.db2.gz	OIWJBJVMMPAFLP-UHFFFAOYSA-N	-1	1	387.284	2.213	20	30		GEEDMM
Cc1cc(C)n(N=Cc2ccccc2OCC(F)(F)F)c(=O)c1-c1nn[n-]n1	ZINC000737255865	599127744	/nfs/dbraw/zinc/12/77/44/599127744.db2.gz	FMGYEJGUJJLOIB-UHFFFAOYSA-N	-1	1	392.341	2.469	20	30		GEEDMM
C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735418301	598260099	/nfs/dbraw/zinc/26/00/99/598260099.db2.gz	AMEDRKRBKCGDJO-UHFFFAOYSA-N	-1	1	396.885	2.354	20	30		GEEDMM
C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735418301	598260098	/nfs/dbraw/zinc/26/00/98/598260098.db2.gz	AMEDRKRBKCGDJO-UHFFFAOYSA-N	-1	1	396.885	2.354	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC#Cc1ccc(F)cc1	ZINC000822010257	607351291	/nfs/dbraw/zinc/35/12/91/607351291.db2.gz	VJZHSIXSNDKHEP-UHFFFAOYSA-N	-1	1	395.394	2.251	20	30		GEEDMM
C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O	ZINC000735977432	598503273	/nfs/dbraw/zinc/50/32/73/598503273.db2.gz	VRWPYWYDTGOTQM-LBPRGKRZSA-N	-1	1	395.448	2.061	20	30		GEEDMM
Cc1nc(-c2nn[n-]n2)c(N=NCc2csc(-c3ccc4c(c3)OCO4)n2)o1	ZINC000737467722	598641981	/nfs/dbraw/zinc/64/19/81/598641981.db2.gz	RJSLJYVNQCMPHP-UHFFFAOYSA-N	-1	1	396.392	2.461	20	30		GEEDMM
C[C@@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccccc1C(F)(F)F	ZINC000819876061	599313075	/nfs/dbraw/zinc/31/30/75/599313075.db2.gz	FDRIHSOCSMTYGE-SSDOTTSWSA-N	-1	1	376.302	2.222	20	30		GEEDMM
S=C(NCCc1ccc(Cl)cc1)NN=Cc1ccc(-c2nnn[n-]2)o1	ZINC000823732659	599336704	/nfs/dbraw/zinc/33/67/04/599336704.db2.gz	NNPLILLTUHYQOW-UHFFFAOYSA-N	-1	1	375.845	2.154	20	30		GEEDMM
S=C(NCCc1ccc(Cl)cc1)NN=Cc1ccc(-c2nn[n-]n2)o1	ZINC000823732659	599336707	/nfs/dbraw/zinc/33/67/07/599336707.db2.gz	NNPLILLTUHYQOW-UHFFFAOYSA-N	-1	1	375.845	2.154	20	30		GEEDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000822006206	599542691	/nfs/dbraw/zinc/54/26/91/599542691.db2.gz	YYRAFEBEORGNFK-GFCCVEGCSA-N	-1	1	391.435	2.266	20	30		GEEDMM
C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000827368965	601132573	/nfs/dbraw/zinc/13/25/73/601132573.db2.gz	KYFVWIMGPIPNLP-QGZVFWFLSA-N	-1	1	392.459	2.494	20	30		GEEDMM
CS(=O)(=O)Nc1ccc(F)cc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000832699305	601348453	/nfs/dbraw/zinc/34/84/53/601348453.db2.gz	DKIIRYCFLQZYIA-OAHLLOKOSA-N	-1	1	392.364	2.052	20	30		GEEDMM
N#Cc1cc(Br)cc(S(=O)(=O)Nc2cnccc2C(=O)[O-])c1	ZINC000833067720	601576756	/nfs/dbraw/zinc/57/67/56/601576756.db2.gz	HAKBXPNZPICPHR-UHFFFAOYSA-N	-1	1	382.195	2.215	20	30		GEEDMM
N#Cc1ccc(CN2CCCN(C(=O)NC[C@H]3CCCN(C(=O)[O-])C3)CC2)cc1	ZINC000740312210	602170890	/nfs/dbraw/zinc/17/08/90/602170890.db2.gz	CYWPNDDYXVZNMO-LJQANCHMSA-N	-1	1	399.495	2.166	20	30		GEEDMM
N#Cc1ccc(NCC(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cc1	ZINC000831136698	603735542	/nfs/dbraw/zinc/73/55/42/603735542.db2.gz	IEYUIOKLXPWTLV-UHFFFAOYSA-N	-1	1	391.391	2.162	20	30		GEEDMM
N#Cc1ccc(NCC(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cc1	ZINC000831136698	603735544	/nfs/dbraw/zinc/73/55/44/603735544.db2.gz	IEYUIOKLXPWTLV-UHFFFAOYSA-N	-1	1	391.391	2.162	20	30		GEEDMM
Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc2c(cc1NC(=O)[O-])OCO2	ZINC000829904895	603888258	/nfs/dbraw/zinc/88/82/58/603888258.db2.gz	VEVBXGBMFPYMAR-UHFFFAOYSA-N	-1	1	375.362	2.486	20	30		GEEDMM
Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1	ZINC000826281271	607670525	/nfs/dbraw/zinc/67/05/25/607670525.db2.gz	LHGKYFFCCFRSBV-UHFFFAOYSA-N	-1	1	375.797	2.468	20	30		GEEDMM
N#Cc1ccc(Cl)cc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000826385492	607672557	/nfs/dbraw/zinc/67/25/57/607672557.db2.gz	OMUGSBBNYOGYCQ-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
N#Cc1ccc(Cl)cc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000826385492	607672558	/nfs/dbraw/zinc/67/25/58/607672558.db2.gz	OMUGSBBNYOGYCQ-UHFFFAOYSA-N	-1	1	379.760	2.299	20	30		GEEDMM
C=CCNC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1	ZINC000467776687	604500885	/nfs/dbraw/zinc/50/08/85/604500885.db2.gz	JZWWDVGKKZLYPM-UHFFFAOYSA-N	-1	1	379.394	2.395	20	30		GEEDMM
C=CCOc1ccc(/C=C/C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1OC	ZINC000833377948	605110243	/nfs/dbraw/zinc/11/02/43/605110243.db2.gz	RSQPCQSZTVIKMJ-IQIBNGDESA-N	-1	1	388.464	2.281	20	30		GEEDMM
C=CCOc1ccc(/C=C/C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc1OC	ZINC000833378199	605276086	/nfs/dbraw/zinc/27/60/86/605276086.db2.gz	ZINKQCQJGWYAOH-BVBGJJFLSA-N	-1	1	388.464	2.281	20	30		GEEDMM
O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1	ZINC000834025580	605518749	/nfs/dbraw/zinc/51/87/49/605518749.db2.gz	FLKICIMSOOBTHW-MJGOQNOKSA-N	-1	1	387.455	2.148	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)Nc2cnc3c(c2)CN(C(=O)[O-])CC3)cc1Cl	ZINC000833976330	605877193	/nfs/dbraw/zinc/87/71/93/605877193.db2.gz	DTYIKNDRGQJRDQ-UHFFFAOYSA-N	-1	1	392.824	2.444	20	30		GEEDMM
N#Cc1cccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c1F	ZINC000833978547	605952315	/nfs/dbraw/zinc/95/23/15/605952315.db2.gz	ONOABEGKKFQADD-PBHICJAKSA-N	-1	1	388.443	2.168	20	30		GEEDMM
O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2nn[n-]n2)s1)CCCC3	ZINC000823665986	606369611	/nfs/dbraw/zinc/36/96/11/606369611.db2.gz	ZDRYFHGHKAYBHQ-UHFFFAOYSA-N	-1	1	383.462	2.461	20	30		GEEDMM
N#Cc1cc(NCc2ccc(-c3nn[n-]n3)s2)ccc1N1CCC(O)CC1	ZINC000822823166	606424202	/nfs/dbraw/zinc/42/42/02/606424202.db2.gz	MAQVIWWXYHCCFH-UHFFFAOYSA-N	-1	1	381.465	2.373	20	30		GEEDMM
N#Cc1ccc(OC2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1	ZINC000822833801	606708781	/nfs/dbraw/zinc/70/87/81/606708781.db2.gz	VRJJQKCCBHMJDI-UHFFFAOYSA-N	-1	1	392.379	2.089	20	30		GEEDMM
N#Cc1ccc(OC2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1	ZINC000822833801	606708783	/nfs/dbraw/zinc/70/87/83/606708783.db2.gz	VRJJQKCCBHMJDI-UHFFFAOYSA-N	-1	1	392.379	2.089	20	30		GEEDMM
CC[C@@H](C#N)Oc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1	ZINC000820843220	606710773	/nfs/dbraw/zinc/71/07/73/606710773.db2.gz	VOSREVFXBMDZOG-LBPRGKRZSA-N	-1	1	380.368	2.463	20	30		GEEDMM
CC[C@@H](C#N)Oc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1	ZINC000820843220	606710774	/nfs/dbraw/zinc/71/07/74/606710774.db2.gz	VOSREVFXBMDZOG-LBPRGKRZSA-N	-1	1	380.368	2.463	20	30		GEEDMM
N#Cc1[n-]c(NC(=O)c2ccc(Cl)cc2Br)nc1-c1nn[nH]n1	ZINC000822814225	606760423	/nfs/dbraw/zinc/76/04/23/606760423.db2.gz	CIULYOGBHQIJPV-UHFFFAOYSA-N	-1	1	393.592	2.130	20	30		GEEDMM
COC[C@H](C#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1	ZINC000826147676	608146902	/nfs/dbraw/zinc/14/69/02/608146902.db2.gz	HPPXLBDWNNCIMC-ZDUSSCGKSA-N	-1	1	383.339	2.493	20	30		GEEDMM
COC[C@H](C#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1	ZINC000826147676	608146903	/nfs/dbraw/zinc/14/69/03/608146903.db2.gz	HPPXLBDWNNCIMC-ZDUSSCGKSA-N	-1	1	383.339	2.493	20	30		GEEDMM
C=CCn1c(Cc2ccccc2)nnc1Sc1ccc(-c2nnn[n-]2)nn1	ZINC000823937286	608396076	/nfs/dbraw/zinc/39/60/76/608396076.db2.gz	QAFLENXRPDDJFS-UHFFFAOYSA-N	-1	1	377.437	2.176	20	30		GEEDMM
C=CCn1c(Cc2ccccc2)nnc1Sc1ccc(-c2nn[n-]n2)nn1	ZINC000823937286	608396078	/nfs/dbraw/zinc/39/60/78/608396078.db2.gz	QAFLENXRPDDJFS-UHFFFAOYSA-N	-1	1	377.437	2.176	20	30		GEEDMM
N#Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)s1	ZINC000826385124	609287672	/nfs/dbraw/zinc/28/76/72/609287672.db2.gz	YEVPFGAGXRHBAM-UHFFFAOYSA-N	-1	1	380.368	2.377	20	30		GEEDMM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CC(C)(C)C#N)c(F)c1	ZINC000451577449	650127334	/nfs/dbraw/zinc/12/73/34/650127334.db2.gz	AUSZZAFTSYYMFP-UHFFFAOYSA-N	-1	1	391.490	2.148	20	30		GEEDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)co1	ZINC000534420155	650775037	/nfs/dbraw/zinc/77/50/37/650775037.db2.gz	DJUFNWDZTRUDGX-LLVKDONJSA-N	-1	1	388.232	2.489	20	30		GEEDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)co1	ZINC000132724338	643885060	/nfs/dbraw/zinc/88/50/60/643885060.db2.gz	YLKQSUBNLXLTNA-NSHDSACASA-N	-1	1	388.232	2.489	20	30		GEEDMM
C#CCSCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000151722395	643951969	/nfs/dbraw/zinc/95/19/69/643951969.db2.gz	HQMMGTBVUVZSHD-UHFFFAOYSA-N	-1	1	379.257	2.002	20	30		GEEDMM
C=CCNc1ncc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1	ZINC000282008137	646810015	/nfs/dbraw/zinc/81/00/15/646810015.db2.gz	OEWOIMOZGLWJQU-UHFFFAOYSA-N	-1	1	376.404	2.272	20	30		GEEDMM
CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000331309828	647379495	/nfs/dbraw/zinc/37/94/95/647379495.db2.gz	HETONYYJRKXVOC-UHFFFAOYSA-N	-1	1	379.251	2.288	20	30		GEEDMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CC2(O)CCCCC2)cc1Br	ZINC000331315084	647379923	/nfs/dbraw/zinc/37/99/23/647379923.db2.gz	IWHISSLGBBMUJM-UHFFFAOYSA-N	-1	1	391.262	2.433	20	30		GEEDMM
N#Cc1ccc(S(=O)(=O)Nc2cc(Br)cc(C(=O)[O-])c2)cn1	ZINC000389720154	647891034	/nfs/dbraw/zinc/89/10/34/647891034.db2.gz	HMCOHQNHBWGLFJ-UHFFFAOYSA-N	-1	1	382.195	2.215	20	30		GEEDMM
N#CC1(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1	ZINC000420220015	648410469	/nfs/dbraw/zinc/41/04/69/648410469.db2.gz	TVVBIRBDOIYBMN-UHFFFAOYSA-N	-1	1	376.265	2.082	20	30		GEEDMM
CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1	ZINC000432755729	648779780	/nfs/dbraw/zinc/77/97/80/648779780.db2.gz	AXUGJOLMNVMQRA-UHFFFAOYSA-N	-1	1	394.250	2.481	20	30		GEEDMM
N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)cc1	ZINC000442351588	648841953	/nfs/dbraw/zinc/84/19/53/648841953.db2.gz	PVJAULHYGKQNGU-UHFFFAOYSA-N	-1	1	380.223	2.220	20	30		GEEDMM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(F)c(Br)cc1F	ZINC000569904946	651732333	/nfs/dbraw/zinc/73/23/33/651732333.db2.gz	JMIPUJZSECRCLY-SSDOTTSWSA-N	-1	1	384.198	2.425	20	30		GEEDMM
O=S(=O)(CCc1ccccc1)NN=Cc1cc(O)c([O-])c(Br)c1	ZINC000757584991	652518802	/nfs/dbraw/zinc/51/88/02/652518802.db2.gz	VUMZKLJTIOBTIP-UHFFFAOYSA-N	-1	1	399.266	2.356	20	30		GEEDMM
O=c1nc(NN=C2CCc3c2c(Br)ccc3F)nc2[nH][n-]cc1-2	ZINC000758111728	652530832	/nfs/dbraw/zinc/53/08/32/652530832.db2.gz	YTWDNRGMROZMOW-UHFFFAOYSA-N	-1	1	377.177	2.096	20	30		GEEDMM
C#CCOc1cccc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)c1	ZINC000761782959	652657374	/nfs/dbraw/zinc/65/73/74/652657374.db2.gz	IQQWCCZLFZPBMM-UHFFFAOYSA-N	-1	1	375.431	2.289	20	30		GEEDMM
COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@](C)(C#N)CSC)c1F	ZINC000594576588	652669630	/nfs/dbraw/zinc/66/96/30/652669630.db2.gz	UKXQLRQVCURHLK-CYBMUJFWSA-N	-1	1	380.850	2.189	20	30		GEEDMM
N#Cc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])ccc1F	ZINC000765924936	652857452	/nfs/dbraw/zinc/85/74/52/652857452.db2.gz	BLYFBZCXOSNBCX-UHFFFAOYSA-N	-1	1	392.184	2.420	20	30		GEEDMM
CC(=NNc1nc(C)cc(=O)[n-]1)c1cc2c(cc1Br)NC(=O)CO2	ZINC000767352250	652921328	/nfs/dbraw/zinc/92/13/28/652921328.db2.gz	PPXNSBGMBFVBOZ-UHFFFAOYSA-N	-1	1	392.213	2.420	20	30		GEEDMM
CC#CCC[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br	ZINC000772939695	653172270	/nfs/dbraw/zinc/17/22/70/653172270.db2.gz	UPKHQVRNDHFXBY-UHFFFAOYSA-N	-1	1	378.219	2.067	20	30		GEEDMM
O=S(=O)(NN=c1c(F)c(F)[n-]c(F)c1F)c1cccnc1C(F)(F)F	ZINC000808070151	653216905	/nfs/dbraw/zinc/21/69/05/653216905.db2.gz	OQIGONHPWFPJDT-UHFFFAOYSA-N	-1	1	390.240	2.357	20	30		GEEDMM
N#Cc1ccc([C@@H](OC(=O)c2ccc(Br)c([O-])c2)C(N)=O)cc1	ZINC000778826494	653458442	/nfs/dbraw/zinc/45/84/42/653458442.db2.gz	AERIFWLXNCAUJW-CQSZACIVSA-N	-1	1	375.178	2.410	20	30		GEEDMM
N#Cc1ccc(CNC(=O)c2cc(I)ccc2[O-])nc1	ZINC000782020125	653653824	/nfs/dbraw/zinc/65/38/24/653653824.db2.gz	OJTFKLCHPPFXDD-UHFFFAOYSA-N	-1	1	379.157	2.193	20	30		GEEDMM
CSc1[n-]c(=O)c(C(=O)Nc2nc(Br)ccc2O)cc1C#N	ZINC000783901764	653686280	/nfs/dbraw/zinc/68/62/80/653686280.db2.gz	VLHFPVRQOGHBQY-UHFFFAOYSA-N	-1	1	381.211	2.496	20	30		GEEDMM
Cc1nc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c(Br)n1C	ZINC000840945810	653702889	/nfs/dbraw/zinc/70/28/89/653702889.db2.gz	YFAJICYNJOLEMD-ZANVPECISA-N	-1	1	375.292	2.242	20	30		GEEDMM
C#CCSCC[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F	ZINC000841492721	653720861	/nfs/dbraw/zinc/72/08/61/653720861.db2.gz	BAKNHNAJQHHFOM-UHFFFAOYSA-N	-1	1	379.862	2.301	20	30		GEEDMM
C#CCn1ccc(CN(CCOC)C(=O)c2ccc(Br)cc2[O-])n1	ZINC000790105576	653786875	/nfs/dbraw/zinc/78/68/75/653786875.db2.gz	QMTCYKRZUAGNSC-UHFFFAOYSA-N	-1	1	392.253	2.273	20	30		GEEDMM
C#CCn1ccc(CN(CCOC)C(=O)c2ccc(Br)c([O-])c2)n1	ZINC000790108745	653786920	/nfs/dbraw/zinc/78/69/20/653786920.db2.gz	DKDXOMVLUDBRRG-UHFFFAOYSA-N	-1	1	392.253	2.273	20	30		GEEDMM
C=CCc1cc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)cc(OC)c1OC	ZINC000866677700	653810182	/nfs/dbraw/zinc/81/01/82/653810182.db2.gz	BCEXHYUCRRUEDP-UHFFFAOYSA-N	-1	1	388.511	2.029	20	30		GEEDMM
C=C(Cl)C[C@@H]([N-]S(=O)(=O)Cc1ccccc1COC)C(=O)OCC	ZINC000867588424	653957338	/nfs/dbraw/zinc/95/73/38/653957338.db2.gz	CAMWYMLOSKVFFY-OAHLLOKOSA-N	-1	1	375.874	2.327	20	30		GEEDMM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br)C(C)C	ZINC000798471793	654065364	/nfs/dbraw/zinc/06/53/64/654065364.db2.gz	CZECXBNJLIKZKX-LLVKDONJSA-N	-1	1	392.246	2.311	20	30		GEEDMM
Cc1cc([O-])c(C(=O)C=Cc2cc(Br)c3c(c2)OCCO3)c(=O)o1	ZINC000917516986	654127175	/nfs/dbraw/zinc/12/71/75/654127175.db2.gz	GVHNTQFNBOYIPB-MPNWYJEXSA-N	-1	1	393.189	2.449	20	30		GEEDMM
N#CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F	ZINC000901772095	654148199	/nfs/dbraw/zinc/14/81/99/654148199.db2.gz	PTIMKMDYFOIOPB-SNVBAGLBSA-N	-1	1	382.161	2.444	20	30		GEEDMM
COCC[C@](C)(C#N)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F	ZINC000903122659	654218011	/nfs/dbraw/zinc/21/80/11/654218011.db2.gz	CHHWXPXZQFPIPB-CYBMUJFWSA-N	-1	1	395.250	2.194	20	30		GEEDMM
CC(C)(C)OC(=O)N=c1[n-]c(C=NNC(=S)NC[C@H]2CCCO2)cs1	ZINC000872330762	654322940	/nfs/dbraw/zinc/32/29/40/654322940.db2.gz	UBDVMSRSJMJJJO-LLVKDONJSA-N	-1	1	385.515	2.467	20	30		GEEDMM
O=S1(=O)[N-]C(=NN=Cc2ccc(O)c(Br)c2)c2ccccc21	ZINC000914599510	654855527	/nfs/dbraw/zinc/85/55/27/654855527.db2.gz	FEAWMVGUZLSGEP-UHFFFAOYSA-N	-1	1	380.223	2.227	20	30		GEEDMM