smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000133730600	675031753	/nfs/dbraw/zinc/03/17/53/675031753.db2.gz	ZDZKMNPQPBPJPX-UHFFFAOYSA-N	-2	0	333.325	2.281	10	30		EEEERL
N#Cc1cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])ccc1F	ZINC000071238414	202342156	/nfs/dbraw/zinc/34/21/56/202342156.db2.gz	SHCGNQVUDBCVEQ-UHFFFAOYSA-N	-2	0	326.330	2.258	10	30		EEEERL
CC(C)(CCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000548228724	318366636	/nfs/dbraw/zinc/36/66/36/318366636.db2.gz	JXQWTNCNUMUKHM-UHFFFAOYSA-N	-2	0	346.355	2.006	10	30		EEEERL
CSc1[n-]c(=O)c(C(=O)Nc2nc(Cl)ccc2[O-])cc1C#N	ZINC000790055131	808381766	/nfs/dbraw/zinc/38/17/66/808381766.db2.gz	DBIMRFQROVNXKS-UHFFFAOYSA-N	-2	0	336.760	2.387	10	30		EEEERL
CN(C)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(C(=O)[O-])c1	ZINC000548200811	318364724	/nfs/dbraw/zinc/36/47/24/318364724.db2.gz	YFXKJZSSIKHESL-UHFFFAOYSA-N	-2	0	345.380	2.123	10	30		EEEERL
Cc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)c(C(=O)[O-])cc1C	ZINC000357084598	465757335	/nfs/dbraw/zinc/75/73/35/465757335.db2.gz	RSQPUHLPUUEYBJ-UHFFFAOYSA-N	-2	0	331.353	2.069	10	30		EEEERL
N#Cc1cncc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c1	ZINC000336863797	160561888	/nfs/dbraw/zinc/56/18/88/160561888.db2.gz	DDFWSBXISKZTQL-UHFFFAOYSA-N	-2	0	337.744	2.106	10	30		EEEERL
Cc1cc(C)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(C(=O)[O-])c1	ZINC000326566644	465041262	/nfs/dbraw/zinc/04/12/62/465041262.db2.gz	FKRUZJWDQXJHHY-UHFFFAOYSA-N	-2	0	345.380	2.378	10	30		EEEERL
CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000753524248	577789183	/nfs/dbraw/zinc/78/91/83/577789183.db2.gz	ODIHVZQRLSPRDM-UHFFFAOYSA-N	-2	0	340.401	2.465	10	30		EEEERL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1	ZINC000130729386	462774069	/nfs/dbraw/zinc/77/40/69/462774069.db2.gz	DROIEBZNULBWIY-UHFFFAOYSA-N	-2	0	338.291	2.335	10	30		EEEERL
N#CC1(CS(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)CCCCC1	ZINC000548525289	468439022	/nfs/dbraw/zinc/43/90/22/468439022.db2.gz	WZVXUQSSWIKHKH-UHFFFAOYSA-N	-2	0	338.385	2.306	10	30		EEEERL
CC(C)(C)OC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1CCC(=O)[O-]	ZINC000536954415	692548102	/nfs/dbraw/zinc/54/81/02/692548102.db2.gz	MFQHHVJSSZNWGO-LBPRGKRZSA-N	-2	0	347.371	2.352	10	30		EEEERL
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cn1	ZINC000319390864	311593892	/nfs/dbraw/zinc/59/38/92/311593892.db2.gz	LHEDKYQVERCEDJ-UHFFFAOYSA-N	-2	0	337.744	2.106	10	30		EEEERL
Cc1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc(C(=O)[O-])c1	ZINC000427302154	467149649	/nfs/dbraw/zinc/14/96/49/467149649.db2.gz	NLVSTPNJCFGDBG-UHFFFAOYSA-N	-2	0	331.353	2.069	10	30		EEEERL
N#Cc1cncc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c1	ZINC000573770215	469201390	/nfs/dbraw/zinc/20/13/90/469201390.db2.gz	XHFSENYEBJRVGM-UHFFFAOYSA-N	-2	0	345.380	2.161	10	30		EEEERL
CCCCOc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c([O-])c1	ZINC001650697902	1354027352	/nfs/dbraw/zinc/02/73/52/1354027352.db2.gz	XVPUIHMTSGNQGU-UHFFFAOYSA-N	-2	0	325.328	2.290	10	30		EEEERL
CSc1[n-]c(=O)c(C(=O)Nc2cc(C#N)ccc2[O-])cc1C#N	ZINC000748411254	577961309	/nfs/dbraw/zinc/96/13/09/577961309.db2.gz	ZZIRDSJGJPOOOV-UHFFFAOYSA-N	-2	0	326.337	2.210	10	30		EEEERL
N#Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])o1	ZINC000554533236	318561271	/nfs/dbraw/zinc/56/12/71/318561271.db2.gz	QULOHTZSFMEZDZ-UHFFFAOYSA-N	-2	0	326.717	2.304	10	30		EEEERL
Cc1nc(C)c(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1C(=O)[O-]	ZINC000776726967	577466493	/nfs/dbraw/zinc/46/64/93/577466493.db2.gz	XFBATHBBMMYEHB-UHFFFAOYSA-N	-2	0	328.328	2.326	10	30		EEEERL
CC(C)(C)OC(=O)c1cc(C(=O)Nc2cc(C#N)ccc2[O-])n[n-]1	ZINC001546334605	1118575999	/nfs/dbraw/zinc/57/59/99/1118575999.db2.gz	SYYMEWJKNWSCCR-UHFFFAOYSA-N	-2	0	328.328	2.195	10	30		EEEERL
O=c1[n-]c(NN=Cc2ccc(O)cc2O)nnc1Cc1ccccc1	ZINC000253531375	465017082	/nfs/dbraw/zinc/01/70/82/465017082.db2.gz	HIVNMBRRBSFDLD-UHFFFAOYSA-N	-2	0	337.339	2.025	10	30		EEEERL
COc1cc(C)c([N-]S(=O)(=O)c2ccccc2C#N)c(C(=O)[O-])c1	ZINC000548264135	318369040	/nfs/dbraw/zinc/36/90/40/318369040.db2.gz	OSLTVGXOGNHDBV-UHFFFAOYSA-N	-2	0	346.364	2.374	10	30		EEEERL
CSc1[n-]c(=O)c(C(=O)[N-]OCCOc2ccccc2)cc1C#N	ZINC001180639816	800506268	/nfs/dbraw/zinc/50/62/68/800506268.db2.gz	OWXGSTONYXYOJY-UHFFFAOYSA-N	-2	0	345.380	2.121	10	30		EEEERL
N#Cc1cccc(O[N-]C(=O)c2nn(-c3ccccc3F)cc2[O-])c1	ZINC001454682919	1107503857	/nfs/dbraw/zinc/50/38/57/1107503857.db2.gz	NHBNFMVOWHVLQI-UHFFFAOYSA-N	-2	0	338.298	2.312	10	30		EEEERL
Cc1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(C(=O)[O-])cc1C	ZINC000427288917	467148912	/nfs/dbraw/zinc/14/89/12/467148912.db2.gz	OANRHYUIWWBIBU-UHFFFAOYSA-N	-2	0	345.380	2.378	10	30		EEEERL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1	ZINC000132665538	462871776	/nfs/dbraw/zinc/87/17/76/462871776.db2.gz	VPBUKMSCGLOZEZ-UHFFFAOYSA-N	-2	0	334.328	2.125	10	30		EEEERL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000548198595	468432424	/nfs/dbraw/zinc/43/24/24/468432424.db2.gz	SRFQHBWASWECDV-UHFFFAOYSA-N	-2	0	338.385	2.219	10	30		EEEERL
Cc1cccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1C(=O)[O-]	ZINC000324271043	466644998	/nfs/dbraw/zinc/64/49/98/466644998.db2.gz	NRFCNGVSHVFRIA-UHFFFAOYSA-N	-2	0	331.353	2.069	10	30		EEEERL
Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1	ZINC000427256741	241399956	/nfs/dbraw/zinc/39/99/56/241399956.db2.gz	LNJULVWPRNNVHI-UHFFFAOYSA-N	-2	0	345.380	2.378	10	30		EEEERL
Cc1nnc([S-])n(N=Cc2cc(Cl)c([O-])cc2Cl)c1=O	ZINC000758095108	577615901	/nfs/dbraw/zinc/61/59/01/577615901.db2.gz	IKRYUGNKLZIWBR-UHFFFAOYSA-N	-2	0	331.184	2.130	10	30		EEEERL
CSc1[n-]c(=O)c(C(=O)[N-]OCc2ccc(F)cc2)cc1C#N	ZINC000757602852	577861064	/nfs/dbraw/zinc/86/10/64/577861064.db2.gz	FBTPPJMMKOZFHB-UHFFFAOYSA-N	-2	0	333.344	2.381	10	30		EEEERL
CCc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(C(=O)[O-])c1	ZINC000336878400	465073485	/nfs/dbraw/zinc/07/34/85/465073485.db2.gz	DZRXKZDQIFSKKO-UHFFFAOYSA-N	-2	0	345.380	2.323	10	30		EEEERL
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cn1	ZINC000542858235	318146235	/nfs/dbraw/zinc/14/62/35/318146235.db2.gz	DEQHJHDFMWPSSA-UHFFFAOYSA-N	-2	0	345.380	2.161	10	30		EEEERL
C=CCCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000517957970	468103184	/nfs/dbraw/zinc/10/31/84/468103184.db2.gz	WURRFQSUNPAJHT-UHFFFAOYSA-N	-2	0	342.373	2.318	10	30		EEEERL
O=C([O-])c1cc(NN=C2C(=O)C=Cc3ccccc32)cc(C(=O)[O-])c1	ZINC000100891899	304225382	/nfs/dbraw/zinc/22/53/82/304225382.db2.gz	YGUKOOHTQYSNIL-SILNSSARSA-N	-2	0	336.303	2.495	10	30		EEEERL
CC(C)(C)OC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1CCC(=O)[O-]	ZINC000536954398	692547998	/nfs/dbraw/zinc/54/79/98/692547998.db2.gz	MFQHHVJSSZNWGO-GFCCVEGCSA-N	-2	0	347.371	2.352	10	30		EEEERL
N#Cc1cccc(O[N-]C(=O)c2ncc(Br)cc2[O-])c1	ZINC001631987455	1352592398	/nfs/dbraw/zinc/59/23/98/1352592398.db2.gz	VMKPYCPKNPQNBG-UHFFFAOYSA-N	-2	0	334.129	2.145	10	30		EEEERL
Cc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(C(=O)[O-])c1	ZINC000324518514	466647638	/nfs/dbraw/zinc/64/76/38/466647638.db2.gz	JZDUMZKFMGYAFI-UHFFFAOYSA-N	-2	0	331.353	2.069	10	30		EEEERL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)o1	ZINC000557460761	468631129	/nfs/dbraw/zinc/63/11/29/468631129.db2.gz	GMKFNIBFAVYWAE-UHFFFAOYSA-N	-2	0	326.717	2.304	10	30		EEEERL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)s1	ZINC000797818005	1304844317	/nfs/dbraw/zinc/84/43/17/1304844317.db2.gz	KZBGIKDZWIJGIJ-UHFFFAOYSA-N	-2	0	325.327	2.034	10	30		EEEERL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1	ZINC000185570033	160041178	/nfs/dbraw/zinc/04/11/78/160041178.db2.gz	VYFXVPJDDRIPMV-UHFFFAOYSA-N	-2	0	334.328	2.125	10	30		EEEERL
COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)CCCCC#N	ZINC000274990501	464760423	/nfs/dbraw/zinc/76/04/23/464760423.db2.gz	KPBJGSORAUCRIQ-UHFFFAOYSA-N	-2	0	340.401	2.148	10	30		EEEERL
Cc1cccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1C#N	ZINC000133764100	675415761	/nfs/dbraw/zinc/41/57/61/675415761.db2.gz	JIINDIMRTIZTPE-UHFFFAOYSA-N	-2	0	333.325	2.281	10	30		EEEERL
CSc1[n-]c(=O)c(C(=O)[N-]OCCCC(F)(F)F)cc1C#N	ZINC000871212214	1201101344	/nfs/dbraw/zinc/10/13/44/1201101344.db2.gz	KYKQARIMAAPVNZ-UHFFFAOYSA-N	-2	0	335.307	2.385	10	30		EEEERL
CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000572643520	319864941	/nfs/dbraw/zinc/86/49/41/319864941.db2.gz	ZJSCJXAJUJQBFC-LBPRGKRZSA-N	-2	0	346.355	2.004	10	30		EEEERL
O=C([O-])CS[C@@H](CC(=O)[O-])C(F)(F)C(F)(F)C(F)(F)F	ZINC000001728715	304072944	/nfs/dbraw/zinc/07/29/44/304072944.db2.gz	FRXPVVIRFRGXMQ-VKHMYHEASA-N	-2	0	332.193	2.480	10	30		EEEERL
Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc1F	ZINC000582039118	324364022	/nfs/dbraw/zinc/36/40/22/324364022.db2.gz	MKSZEVGCSYNDEO-UHFFFAOYSA-N	-2	0	349.343	2.208	10	30		EEEERL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-]	ZINC000131017891	462788529	/nfs/dbraw/zinc/78/85/29/462788529.db2.gz	ONTSQLVRMPKIFQ-UHFFFAOYSA-N	-2	0	338.291	2.335	10	30		EEEERL
Cc1ncc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1C#N	ZINC000324432452	466647224	/nfs/dbraw/zinc/64/72/24/466647224.db2.gz	UNBGPZAPFYCRGF-UHFFFAOYSA-N	-2	0	331.353	2.069	10	30		EEEERL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(=O)[O-])c(O)c1	ZINC000100147599	219092377	/nfs/dbraw/zinc/09/23/77/219092377.db2.gz	SIAIQIYHXHDQKM-XDJHFCHBSA-N	-2	0	338.323	2.281	10	30		EEEERL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-]	ZINC000131932017	462834457	/nfs/dbraw/zinc/83/44/57/462834457.db2.gz	YCOHXDKWZFUFQX-UHFFFAOYSA-N	-2	0	338.291	2.335	10	30		EEEERL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(=O)[O-])c(O)c1	ZINC000252462448	464956028	/nfs/dbraw/zinc/95/60/28/464956028.db2.gz	SIAIQIYHXHDQKM-UHFFFAOYSA-N	-2	0	338.323	2.281	10	30		EEEERL
O=C([O-])CS[C@H](CC(=O)[O-])C(F)(F)C(F)(F)C(F)(F)F	ZINC000005411471	304072949	/nfs/dbraw/zinc/07/29/49/304072949.db2.gz	FRXPVVIRFRGXMQ-GSVOUGTGSA-N	-2	0	332.193	2.480	10	30		EEEERL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000324498898	466647783	/nfs/dbraw/zinc/64/77/83/466647783.db2.gz	GDGDRLLXRCYVAS-UHFFFAOYSA-N	-2	0	331.353	2.069	10	30		EEEERL
CCC(C)(C)[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000572643519	319864912	/nfs/dbraw/zinc/86/49/12/319864912.db2.gz	ZJSCJXAJUJQBFC-GFCCVEGCSA-N	-2	0	346.355	2.004	10	30		EEEERL
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F	ZINC000563224409	469204789	/nfs/dbraw/zinc/20/47/89/469204789.db2.gz	CLOJTSQYAAMZDO-SSDOTTSWSA-N	-2	0	339.747	2.316	10	30		EEEERL
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])o1	ZINC000554430788	468402417	/nfs/dbraw/zinc/40/24/17/468402417.db2.gz	PVCXZIPOAQRGDN-UHFFFAOYSA-N	-2	0	334.353	2.359	10	30		EEEERL
N#CC1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)CCCCC1	ZINC000562319344	468935998	/nfs/dbraw/zinc/93/59/98/468935998.db2.gz	SADRMRDCAWOOFA-UHFFFAOYSA-N	-2	0	338.385	2.306	10	30		EEEERL
CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)CCCCC#N	ZINC000548593862	468439939	/nfs/dbraw/zinc/43/99/39/468439939.db2.gz	UYWAKLRZURYRST-UHFFFAOYSA-N	-2	0	344.364	2.358	10	30		EEEERL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c(F)c1	ZINC000133735506	675118234	/nfs/dbraw/zinc/11/82/34/675118234.db2.gz	XYHLGIJYVYKZEW-UHFFFAOYSA-N	-2	0	337.288	2.112	10	30		EEEERL
O=[N+]([O-])c1ccc([O-])c(C=NN=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000242687534	258000609	/nfs/dbraw/zinc/00/06/09/258000609.db2.gz	ULNJZDPQMMBRNH-UHFFFAOYSA-N	-2	0	330.256	2.367	10	30		EEEERL
N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1	ZINC000339075680	465068159	/nfs/dbraw/zinc/06/81/59/465068159.db2.gz	PKABMMJRCMKSHH-UHFFFAOYSA-N	-2	0	338.291	2.335	10	30		EEEERL
N#Cc1ccc([O-])c([N-]S(=O)(=O)CC2Cc3ccccc3C2)c1	ZINC000753014364	577780122	/nfs/dbraw/zinc/78/01/22/577780122.db2.gz	GSUVKBLHBJSPHS-UHFFFAOYSA-N	-2	0	328.393	2.421	10	30		EEEERL
N#Cc1ccc(CS(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1	ZINC000319980658	466601248	/nfs/dbraw/zinc/60/12/48/466601248.db2.gz	JNUQPXALYUOOGC-UHFFFAOYSA-N	-2	0	334.328	2.337	10	30		EEEERL
CC(=O)c1cc(F)c([O-])c(NC(=O)c2[n-]c(=O)c(C#N)cc2C)c1	ZINC001303886525	1331368910	/nfs/dbraw/zinc/36/89/10/1331368910.db2.gz	XOPRVRMMZYKXAY-UHFFFAOYSA-N	-2	0	329.287	2.267	10	30		EEEERL
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1nc(Br)ccc1[O-]	ZINC001296614051	1329904108	/nfs/dbraw/zinc/90/41/08/1329904108.db2.gz	UZWPGTVHORRUJO-UHFFFAOYSA-N	-2	0	349.144	2.083	10	30		EEEERL
Cc1cccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1C#N	ZINC000185569485	160041368	/nfs/dbraw/zinc/04/13/68/160041368.db2.gz	YLHWEABBUQYTBP-UHFFFAOYSA-N	-2	0	330.365	2.295	10	30		EEEERL
O=C([O-])CCC(N=Nc1ncc(C(F)(F)F)cc1Cl)C(=O)[O-]	ZINC000254799225	465019177	/nfs/dbraw/zinc/01/91/77/465019177.db2.gz	CWMOLBNXRMPNTF-UHFFFAOYSA-N	-2	0	339.657	2.471	10	30		EEEERL
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000324576334	466648171	/nfs/dbraw/zinc/64/81/71/466648171.db2.gz	WIRDHRQULAZKLX-UHFFFAOYSA-N	-2	0	331.353	2.069	10	30		EEEERL
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F	ZINC000563224414	469204537	/nfs/dbraw/zinc/20/45/37/469204537.db2.gz	CLOJTSQYAAMZDO-ZETCQYMHSA-N	-2	0	339.747	2.316	10	30		EEEERL
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)c(C(=O)[O-])cc1C	ZINC000358491991	465156770	/nfs/dbraw/zinc/15/67/70/465156770.db2.gz	FMSJQHDFKPTQEF-UHFFFAOYSA-N	-2	0	331.353	2.069	10	30		EEEERL
CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000753523591	577789149	/nfs/dbraw/zinc/78/91/49/577789149.db2.gz	KIASIAPPFDRTFE-UHFFFAOYSA-N	-2	0	340.401	2.463	10	30		EEEERL
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1c(-c2ccccc2)[n-][nH]c1=O	ZINC001159367149	1319762632	/nfs/dbraw/zinc/76/26/32/1319762632.db2.gz	XBDQJGHARJXOSX-UHFFFAOYSA-N	-2	0	335.323	2.315	10	30		EEEERL
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cn1	ZINC000389708028	323543013	/nfs/dbraw/zinc/54/30/13/323543013.db2.gz	DMXVNBCIMFLANN-UHFFFAOYSA-N	-2	0	337.744	2.106	10	30		EEEERL
N#Cc1cncc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1	ZINC000319841144	466600220	/nfs/dbraw/zinc/60/02/20/466600220.db2.gz	DUGCZHUENLFFQV-UHFFFAOYSA-N	-2	0	337.744	2.106	10	30		EEEERL
N#Cc1ccc([O-])c(NC(=O)c2ncc(Br)cc2[O-])c1	ZINC001567072694	1342410104	/nfs/dbraw/zinc/41/01/04/1342410104.db2.gz	HXBACSYGNHRVID-UHFFFAOYSA-N	-2	0	334.129	2.379	10	30		EEEERL
CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)NCCCC(=O)[O-]	ZINC000139423622	463323527	/nfs/dbraw/zinc/32/35/27/463323527.db2.gz	RXVHNZVHLYSEEX-UHFFFAOYSA-N	-2	0	345.396	2.257	10	30		EEEERL
Cc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc1C(=O)[O-]	ZINC000324230697	466644409	/nfs/dbraw/zinc/64/44/09/466644409.db2.gz	HBXFLXXIJKNNIP-UHFFFAOYSA-N	-2	0	331.353	2.069	10	30		EEEERL