smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCCCC/N=C1/NC(=O)C(CC(=O)Nc2ccccc2F)S1	ZINC000739666064	599901182	/nfs/dbraw/zinc/90/11/82/599901182.db2.gz	DZGDJHWFIYPGJH-ZDUSSCGKSA-N	-1	2	381.429	2.387	20	30		GEEDLM
N#Cc1cc(Br)cc(S(=O)(=O)Nc2csnc2C(=O)[O-])c1	ZINC000833068152	602155491	/nfs/dbraw/zinc/15/54/91/602155491.db2.gz	PENAHOLPSPSISA-UHFFFAOYSA-N	-1	2	388.224	2.276	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H](CC(=O)[O-])C3)cc2[nH]c1=S	ZINC000769528481	597093552	/nfs/dbraw/zinc/09/35/52/597093552.db2.gz	ULFNSSXRRCVATH-GFCCVEGCSA-N	-1	2	387.461	2.198	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)cc2[nH]c1=S	ZINC000736117408	600267930	/nfs/dbraw/zinc/26/79/30/600267930.db2.gz	JBGPPMPCFFVBBY-CQSZACIVSA-N	-1	2	399.472	2.198	20	30		GEEDLM
N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2)cc1	ZINC000833072014	600678661	/nfs/dbraw/zinc/67/86/61/600678661.db2.gz	TWFPWSGEUPQHRX-UHFFFAOYSA-N	-1	2	398.400	2.432	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)NCC3(C(=O)[O-])CCCC3)cc2[nH]c1=S	ZINC000825710840	601707525	/nfs/dbraw/zinc/70/75/25/601707525.db2.gz	DAXKCBDSEVDIJE-UHFFFAOYSA-N	-1	2	387.461	2.246	20	30		GEEDLM
O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000833346837	601769400	/nfs/dbraw/zinc/76/94/00/601769400.db2.gz	VZSSARCWPIQFGW-UHFFFAOYSA-N	-1	2	385.426	2.437	20	30		GEEDLM
N#CCc1ccnc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1	ZINC000833069183	601964956	/nfs/dbraw/zinc/96/49/56/601964956.db2.gz	OEWFETQYQWNYNZ-UHFFFAOYSA-N	-1	2	396.222	2.409	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)NCc3cccc(C(=O)[O-])c3)cc2[nH]c1=S	ZINC000776209125	602057256	/nfs/dbraw/zinc/05/72/56/602057256.db2.gz	NJNFEBISYPXXCO-UHFFFAOYSA-N	-1	2	395.440	2.499	20	30		GEEDLM
COc1cc(S(=O)(=O)Nc2cc(C#N)ccc2O)c(Cl)cc1C(=O)[O-]	ZINC000751215940	652331627	/nfs/dbraw/zinc/33/16/27/652331627.db2.gz	YLJRFCCHXUPWOX-UHFFFAOYSA-N	-1	2	382.781	2.425	20	30		GEEDLM
N#Cc1ccc(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c(=O)c3c2)s1	ZINC000515969581	532373861	/nfs/dbraw/zinc/37/38/61/532373861.db2.gz	NKQZHRJSNXMFDF-UHFFFAOYSA-N	-1	2	375.387	2.373	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)NCc3ccc(C(=O)[O-])o3)cc2[nH]c1=S	ZINC000736116992	600496416	/nfs/dbraw/zinc/49/64/16/600496416.db2.gz	HKRILCILXAMOKM-UHFFFAOYSA-N	-1	2	385.401	2.092	20	30		GEEDLM
O=C([O-])c1ccsc1N1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C1=O	ZINC000833336637	601178127	/nfs/dbraw/zinc/17/81/27/601178127.db2.gz	TUVPAMCYDAAOAO-OYZNXWOWSA-N	-1	2	375.362	2.285	20	30		GEEDLM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1	ZINC000832918190	601338881	/nfs/dbraw/zinc/33/88/81/601338881.db2.gz	HXRQUWIZKNCJPU-UHFFFAOYSA-N	-1	2	397.416	2.006	20	30		GEEDLM
Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)nnn1C1CCN(C(=O)[O-])CC1	ZINC000740030633	602212651	/nfs/dbraw/zinc/21/26/51/602212651.db2.gz	JYYOIFGOVYOPRE-ZDUSSCGKSA-N	-1	2	393.407	2.268	20	30		GEEDLM
Cc1ccc(C#N)cc1S(=O)(=O)Nc1nc2c(s1)CN(C(=O)[O-])CC2	ZINC000740102230	603331575	/nfs/dbraw/zinc/33/15/75/603331575.db2.gz	BDUDJWLTRQSCSE-UHFFFAOYSA-N	-1	2	378.435	2.160	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)NCC(CC)(CC)C(=O)[O-])cc2[nH]c1=S	ZINC000818326141	605102893	/nfs/dbraw/zinc/10/28/93/605102893.db2.gz	RYNYRXLAMQFNNE-UHFFFAOYSA-N	-1	2	389.477	2.492	20	30		GEEDLM
C/C(=C/COC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N)C(=O)[O-]	ZINC000825765491	601408673	/nfs/dbraw/zinc/40/86/73/601408673.db2.gz	QOSVMTNZUKNOFS-UQCOIBPSSA-N	-1	2	376.312	2.344	20	30		GEEDLM
N#Cc1c(Cl)cccc1S(=O)(=O)Nc1cnc2c(c1)CN(C(=O)[O-])CC2	ZINC000833969652	605877167	/nfs/dbraw/zinc/87/71/67/605877167.db2.gz	HTYCDKIHSDLUIC-UHFFFAOYSA-N	-1	2	392.824	2.444	20	30		GEEDLM
N#CC(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000833063921	601236859	/nfs/dbraw/zinc/23/68/59/601236859.db2.gz	NTFPQNRYKVSKPU-OUCADQQQSA-N	-1	2	380.408	2.265	20	30		GEEDLM
N#C[C@H](C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000833063921	601236862	/nfs/dbraw/zinc/23/68/62/601236862.db2.gz	NTFPQNRYKVSKPU-OUCADQQQSA-N	-1	2	380.408	2.265	20	30		GEEDLM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1CCN2C(=O)[O-]	ZINC000831114075	604427662	/nfs/dbraw/zinc/42/76/62/604427662.db2.gz	JHZIGYMENIZMAF-UHFFFAOYSA-N	-1	2	388.361	2.308	20	30		GEEDLM
COc1ccc(-c2nc(SCC3(C#N)CC3)[nH]c(=O)c2-c2nn[n-]n2)cc1	ZINC000826181928	609307277	/nfs/dbraw/zinc/30/72/77/609307277.db2.gz	SMEPFLOGZWISML-UHFFFAOYSA-N	-1	2	381.421	2.434	20	30		GEEDLM
O=C([N-][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)C(F)C(F)(F)F)C1)C(F)(F)F	ZINC000857705169	653333419	/nfs/dbraw/zinc/33/34/19/653333419.db2.gz	ZYGNLZOEHQZKBX-PBXRRBTRSA-N	-1	2	392.193	2.487	20	30		GEEDLM
O=C([N-][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)[C@H](F)C(F)(F)F)C1)C(F)(F)F	ZINC000857705169	653333425	/nfs/dbraw/zinc/33/34/25/653333425.db2.gz	ZYGNLZOEHQZKBX-PBXRRBTRSA-N	-1	2	392.193	2.487	20	30		GEEDLM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F	ZINC000581414006	652412400	/nfs/dbraw/zinc/41/24/00/652412400.db2.gz	SECLFPTVXXFRQO-QMMMGPOBSA-N	-1	2	396.799	2.274	20	30		GEEDLM
C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1	ZINC000923574037	654469751	/nfs/dbraw/zinc/46/97/51/654469751.db2.gz	COZWCQVOTVBNNE-CYBMUJFWSA-N	-1	2	388.265	2.118	20	30		GEEDLM
Cc1cccc(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1C(=O)[O-]	ZINC000832972526	601338873	/nfs/dbraw/zinc/33/88/73/601338873.db2.gz	FABXWVMTCVNVAX-UHFFFAOYSA-N	-1	2	397.416	2.006	20	30		GEEDLM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000833067841	602113294	/nfs/dbraw/zinc/11/32/94/602113294.db2.gz	HTPBYHNJYILNFS-UHFFFAOYSA-N	-1	2	375.362	2.284	20	30		GEEDLM
C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833366453	605325481	/nfs/dbraw/zinc/32/54/81/605325481.db2.gz	XWBAQQGKKQLJSQ-UHFFFAOYSA-N	-1	2	394.336	2.245	20	30		GEEDLM
C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833402479	605329791	/nfs/dbraw/zinc/32/97/91/605329791.db2.gz	NPQINZQQFMBPMV-SNVBAGLBSA-N	-1	2	391.361	2.385	20	30		GEEDLM
COc1cc(Cl)c(S(=O)(=O)Nc2cc(C#N)ccc2O)cc1C(=O)[O-]	ZINC000790393891	653790641	/nfs/dbraw/zinc/79/06/41/653790641.db2.gz	MLDFIWMIIMZVHU-UHFFFAOYSA-N	-1	2	382.781	2.425	20	30		GEEDLM
COc1ccc(-c2cc3[nH]c(CN(CC#N)CC(=O)[O-])nc(=O)c3s2)cc1	ZINC000832116290	601004985	/nfs/dbraw/zinc/00/49/85/601004985.db2.gz	PEICXDLKCUAENH-UHFFFAOYSA-N	-1	2	384.417	2.070	20	30		GEEDLM
O=C([O-])CCCCC/N=C1/NC(=O)C(CC(=O)Nc2ccc(F)cc2)S1	ZINC000739666030	599901147	/nfs/dbraw/zinc/90/11/47/599901147.db2.gz	CEHXQMDKCQLHPQ-CYBMUJFWSA-N	-1	2	381.429	2.387	20	30		GEEDLM
Cc1cc(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)ccc1C(=O)[O-]	ZINC000832904365	601338924	/nfs/dbraw/zinc/33/89/24/601338924.db2.gz	IWMARHNFUNAGJX-UHFFFAOYSA-N	-1	2	397.416	2.006	20	30		GEEDLM
Cc1cc(C#N)ccc1S(=O)(=O)Nc1nc2c(s1)CN(C(=O)[O-])CC2	ZINC000740052623	602971520	/nfs/dbraw/zinc/97/15/20/602971520.db2.gz	ONGZNRJBUQFZGQ-UHFFFAOYSA-N	-1	2	378.435	2.160	20	30		GEEDLM
C=CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2CC)cc1	ZINC000833376725	605417774	/nfs/dbraw/zinc/41/77/74/605417774.db2.gz	QOSSTRSXEYVHRE-UHFFFAOYSA-N	-1	2	378.406	2.257	20	30		GEEDLM
Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1	ZINC000832852998	601339044	/nfs/dbraw/zinc/33/90/44/601339044.db2.gz	PDRKUJPOBZALGI-UHFFFAOYSA-N	-1	2	397.416	2.006	20	30		GEEDLM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000833068458	602115149	/nfs/dbraw/zinc/11/51/49/602115149.db2.gz	XXGBMHJYGVTGLL-UHFFFAOYSA-N	-1	2	376.350	2.035	20	30		GEEDLM
Cc1cccc2[nH]c([C@H](C#N)C(=O)c3cn(C4CCN(C(=O)[O-])CC4)nn3)nc21	ZINC000740174047	603074356	/nfs/dbraw/zinc/07/43/56/603074356.db2.gz	GCRLNJDETRFKDQ-CYBMUJFWSA-N	-1	2	393.407	2.268	20	30		GEEDLM
Cc1cccc2nc([C@H](C#N)C(=O)c3cn(C4CCN(C(=O)[O-])CC4)nn3)[nH]c21	ZINC000740174047	603074358	/nfs/dbraw/zinc/07/43/58/603074358.db2.gz	GCRLNJDETRFKDQ-CYBMUJFWSA-N	-1	2	393.407	2.268	20	30		GEEDLM
N#Cc1cc(F)c(S(=O)(=O)NCC[C@@H](CC(=O)[O-])C(F)(F)F)c(F)c1	ZINC000285281552	532666039	/nfs/dbraw/zinc/66/60/39/532666039.db2.gz	WTIPAMOVLPBGBQ-QMMMGPOBSA-N	-1	2	386.298	2.158	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc2[nH]c1=S	ZINC000794823352	597410821	/nfs/dbraw/zinc/41/08/21/597410821.db2.gz	JZOBOKIJSZOBBU-HZMBPMFUSA-N	-1	2	375.450	2.100	20	30		GEEDLM
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CC#N)cc1	ZINC000737719603	599814908	/nfs/dbraw/zinc/81/49/08/599814908.db2.gz	ZHIOTNUUAGUTIM-UHFFFAOYSA-N	-1	2	380.403	2.100	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)Nc3cc(C(=O)[O-])n(C)c3)cc2[nH]c1=S	ZINC000825711235	601313266	/nfs/dbraw/zinc/31/32/66/601313266.db2.gz	VBYWUXZXKORONL-UHFFFAOYSA-N	-1	2	384.417	2.160	20	30		GEEDLM
C#CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000736089107	599838523	/nfs/dbraw/zinc/83/85/23/599838523.db2.gz	GRCPONRZASJRPM-UHFFFAOYSA-N	-1	2	376.346	2.106	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)cc2[nH]c1=S	ZINC000736117407	600267899	/nfs/dbraw/zinc/26/78/99/600267899.db2.gz	JBGPPMPCFFVBBY-AWEZNQCLSA-N	-1	2	399.472	2.198	20	30		GEEDLM
O=C([O-])Cn1cc(S(=O)(=O)Nc2cccc(C#Cc3ccccc3)c2)cn1	ZINC000739911595	600674679	/nfs/dbraw/zinc/67/46/79/600674679.db2.gz	DSSNWJKODVFWOF-UHFFFAOYSA-N	-1	2	381.413	2.168	20	30		GEEDLM
CN(Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1)C(=O)[O-]	ZINC000830840621	602114716	/nfs/dbraw/zinc/11/47/16/602114716.db2.gz	PHQXQCSFHVCIFA-UHFFFAOYSA-N	-1	2	390.377	2.377	20	30		GEEDLM
N#Cc1cc(F)c(S(=O)(=O)NCC[C@H](CC(=O)[O-])C(F)(F)F)c(F)c1	ZINC000285281549	532665965	/nfs/dbraw/zinc/66/59/65/532665965.db2.gz	WTIPAMOVLPBGBQ-MRVPVSSYSA-N	-1	2	386.298	2.158	20	30		GEEDLM
C[N-]C(=S)C(=C(O)C1=CCC(=NC(N)=O)C=C1)[n+]1cccc([O-])c1Cl	ZINC000735665315	651790315	/nfs/dbraw/zinc/79/03/15/651790315.db2.gz	AVZABOGEYWCITF-UHFFFAOYSA-O	-1	2	379.849	2.066	20	30		GEEDLM
CC(C)n1ccc(=O)nc1SC=C(O)C(C(=O)[O-])c1nc2ccccc2[nH]1	ZINC000736532749	599883912	/nfs/dbraw/zinc/88/39/12/599883912.db2.gz	MSMRZVGATTUNCT-UHFFFAOYSA-N	-1	2	386.433	2.319	20	30		GEEDLM
C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000825626030	601484682	/nfs/dbraw/zinc/48/46/82/601484682.db2.gz	SQQXWRJZQMTCGH-UHFFFAOYSA-N	-1	2	384.772	2.385	20	30		GEEDLM
CSCC[C@@H](CNC(=O)C(F)(F)C(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000863377143	653708384	/nfs/dbraw/zinc/70/83/84/653708384.db2.gz	PAFFTHWROYQYTE-YFKPBYRVSA-N	-1	2	390.296	2.141	20	30		GEEDLM
C#CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)cc1	ZINC000736089408	599838519	/nfs/dbraw/zinc/83/85/19/599838519.db2.gz	KNZUVQBEDZQXAZ-UHFFFAOYSA-N	-1	2	395.414	2.046	20	30		GEEDLM
COc1cc(NS(=O)(=O)c2ccc(C#N)cc2F)c(C(=O)[O-])cc1OC	ZINC000610056322	600541960	/nfs/dbraw/zinc/54/19/60/600541960.db2.gz	HMKXOADCIMDOCH-UHFFFAOYSA-N	-1	2	380.353	2.214	20	30		GEEDLM
N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1	ZINC000833065137	600674972	/nfs/dbraw/zinc/67/49/72/600674972.db2.gz	SSDFUBMHRCERLS-GOSISDBHSA-N	-1	2	396.428	2.424	20	30		GEEDLM
Cc1nc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)sc1SCC#N	ZINC000738865541	600244332	/nfs/dbraw/zinc/24/43/32/600244332.db2.gz	SACJHXGEZBRYBO-UHFFFAOYSA-N	-1	2	383.476	2.495	20	30		GEEDLM
N#CC(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000833063920	601237033	/nfs/dbraw/zinc/23/70/33/601237033.db2.gz	NTFPQNRYKVSKPU-MBNYWOFBSA-N	-1	2	380.408	2.265	20	30		GEEDLM
N#C[C@H](C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000833063920	601237035	/nfs/dbraw/zinc/23/70/35/601237035.db2.gz	NTFPQNRYKVSKPU-MBNYWOFBSA-N	-1	2	380.408	2.265	20	30		GEEDLM
Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3cn(C4CCN(C(=O)[O-])CC4)nn3)nc21	ZINC000740174051	603074170	/nfs/dbraw/zinc/07/41/70/603074170.db2.gz	GCRLNJDETRFKDQ-ZDUSSCGKSA-N	-1	2	393.407	2.268	20	30		GEEDLM
Cc1cccc2nc([C@@H](C#N)C(=O)c3cn(C4CCN(C(=O)[O-])CC4)nn3)[nH]c21	ZINC000740174051	603074178	/nfs/dbraw/zinc/07/41/78/603074178.db2.gz	GCRLNJDETRFKDQ-ZDUSSCGKSA-N	-1	2	393.407	2.268	20	30		GEEDLM
N#Cc1ccccc1Oc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1	ZINC000833076381	600678470	/nfs/dbraw/zinc/67/84/70/600678470.db2.gz	CQIUKAHVCODDQJ-UHFFFAOYSA-N	-1	2	398.400	2.432	20	30		GEEDLM
Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)nnn1C1CCN(C(=O)[O-])CC1	ZINC000740030630	602212637	/nfs/dbraw/zinc/21/26/37/602212637.db2.gz	JYYOIFGOVYOPRE-CYBMUJFWSA-N	-1	2	393.407	2.268	20	30		GEEDLM
COCCOc1ccc(C#N)cc1NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000541306856	650873820	/nfs/dbraw/zinc/87/38/20/650873820.db2.gz	GOIKDCRLFVDTDT-UHFFFAOYSA-N	-1	2	382.419	2.144	20	30		GEEDLM
C=CCC[C@@H](NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)C(=O)[O-]	ZINC000776589086	653362289	/nfs/dbraw/zinc/36/22/89/653362289.db2.gz	UAFVGNQZXWNKLN-SECBINFHSA-N	-1	2	396.799	2.274	20	30		GEEDLM
N#Cc1ccc(NC(=O)CC2S/C(=N/CCCCCC(=O)[O-])NC2=O)cc1	ZINC000739122579	599880441	/nfs/dbraw/zinc/88/04/41/599880441.db2.gz	IDUWQTBTJOIVHG-CQSZACIVSA-N	-1	2	388.449	2.119	20	30		GEEDLM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1	ZINC000832868406	601339115	/nfs/dbraw/zinc/33/91/15/601339115.db2.gz	LHUDNFGMBSHJIV-UHFFFAOYSA-N	-1	2	397.416	2.006	20	30		GEEDLM
N#Cc1cc(Br)cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccn2)c1	ZINC000833067895	601576528	/nfs/dbraw/zinc/57/65/28/601576528.db2.gz	IQDMXYMGMJHYEH-UHFFFAOYSA-N	-1	2	382.195	2.215	20	30		GEEDLM
Cc1nc(NS(=O)(=O)c2csnc2C(=O)[O-])sc1SCC#N	ZINC000833003161	601767790	/nfs/dbraw/zinc/76/77/90/601767790.db2.gz	LYGFWWYYXJTEIE-UHFFFAOYSA-N	-1	2	376.466	2.023	20	30		GEEDLM
C=CCNC(=O)c1cccc(S(=O)(=O)Nc2nc(CC)c(C(=O)[O-])s2)c1	ZINC000833376542	604991029	/nfs/dbraw/zinc/99/10/29/604991029.db2.gz	GMNQMMDEDLABDT-UHFFFAOYSA-N	-1	2	395.462	2.120	20	30		GEEDLM
C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833402478	605330373	/nfs/dbraw/zinc/33/03/73/605330373.db2.gz	NPQINZQQFMBPMV-JTQLQIEISA-N	-1	2	391.361	2.385	20	30		GEEDLM
C=CCC[C@H](NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)C(=O)[O-]	ZINC000776589088	653362268	/nfs/dbraw/zinc/36/22/68/653362268.db2.gz	UAFVGNQZXWNKLN-VIFPVBQESA-N	-1	2	396.799	2.274	20	30		GEEDLM
Cn1nccc1S(=O)(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1	ZINC000739062711	600095033	/nfs/dbraw/zinc/09/50/33/600095033.db2.gz	ZHKAOVATRSWRNB-UHFFFAOYSA-N	-1	2	381.413	2.319	20	30		GEEDLM
C=CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1	ZINC000736106292	600233271	/nfs/dbraw/zinc/23/32/71/600233271.db2.gz	XHMUVWLHOMTPJS-UHFFFAOYSA-N	-1	2	396.371	2.380	20	30		GEEDLM
C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000825967665	600682796	/nfs/dbraw/zinc/68/27/96/600682796.db2.gz	YBQMKWZHJKTAKC-NSHDSACASA-N	-1	2	380.451	2.020	20	30		GEEDLM
N=C1NC(=O)C(CC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)S1	ZINC000833087742	600854573	/nfs/dbraw/zinc/85/45/73/600854573.db2.gz	CSTVRVPDPVJZOD-INIZCTEOSA-N	-1	2	393.424	2.280	20	30		GEEDLM
N=C1NC(=O)C(CC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)S1	ZINC000833087746	600854674	/nfs/dbraw/zinc/85/46/74/600854674.db2.gz	CSTVRVPDPVJZOD-MRXNPFEDSA-N	-1	2	393.424	2.280	20	30		GEEDLM
O=C([N-][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)C(F)C(F)(F)F)C1)C(F)(F)F	ZINC000857705168	653333645	/nfs/dbraw/zinc/33/36/45/653333645.db2.gz	ZYGNLZOEHQZKBX-HSUXUTPPSA-N	-1	2	392.193	2.487	20	30		GEEDLM
O=C([N-][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)[C@@H](F)C(F)(F)F)C1)C(F)(F)F	ZINC000857705168	653333646	/nfs/dbraw/zinc/33/36/46/653333646.db2.gz	ZYGNLZOEHQZKBX-HSUXUTPPSA-N	-1	2	392.193	2.487	20	30		GEEDLM
COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000427201216	532416492	/nfs/dbraw/zinc/41/64/92/532416492.db2.gz	YGADTTNMNSYFFP-UHFFFAOYSA-N	-1	2	381.797	2.423	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc2[nH]c1=S	ZINC000736118154	600920094	/nfs/dbraw/zinc/92/00/94/600920094.db2.gz	QUYIKWVYMZXDRV-CYBMUJFWSA-N	-1	2	389.477	2.348	20	30		GEEDLM
O=C([O-])c1ccsc1N1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1=O	ZINC000833336636	601178122	/nfs/dbraw/zinc/17/81/22/601178122.db2.gz	TUVPAMCYDAAOAO-OPFCKLNOSA-N	-1	2	375.362	2.285	20	30		GEEDLM
N#CC(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000833063922	601237099	/nfs/dbraw/zinc/23/70/99/601237099.db2.gz	NTFPQNRYKVSKPU-SGMGOOAPSA-N	-1	2	380.408	2.265	20	30		GEEDLM
N#C[C@H](C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000833063922	601237100	/nfs/dbraw/zinc/23/71/00/601237100.db2.gz	NTFPQNRYKVSKPU-SGMGOOAPSA-N	-1	2	380.408	2.265	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc2[nH]c1=S	ZINC000825710989	601592262	/nfs/dbraw/zinc/59/22/62/601592262.db2.gz	KDYIZIRYYGYGFD-ZDUSSCGKSA-N	-1	2	375.450	2.100	20	30		GEEDLM
N#Cc1cc(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)ccc1Cl	ZINC000833070449	602105740	/nfs/dbraw/zinc/10/57/40/602105740.db2.gz	GXFZQBIYQUSFOB-UHFFFAOYSA-N	-1	2	386.842	2.271	20	30		GEEDLM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OCC#N	ZINC000760361054	602118930	/nfs/dbraw/zinc/11/89/30/602118930.db2.gz	JLMRJZJQTZKOSH-UHFFFAOYSA-N	-1	2	380.353	2.236	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc2[nH]c1=S	ZINC000794821463	598195236	/nfs/dbraw/zinc/19/52/36/598195236.db2.gz	UYCOLICJWXMOAI-AWEZNQCLSA-N	-1	2	375.450	2.100	20	30		GEEDLM
N#Cc1ccc(NC(=O)CC2S/C(=N/CCCCCC(=O)[O-])NC2=O)cc1	ZINC000739122576	599880125	/nfs/dbraw/zinc/88/01/25/599880125.db2.gz	IDUWQTBTJOIVHG-AWEZNQCLSA-N	-1	2	388.449	2.119	20	30		GEEDLM
C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000825967663	600682698	/nfs/dbraw/zinc/68/26/98/600682698.db2.gz	YBQMKWZHJKTAKC-LLVKDONJSA-N	-1	2	380.451	2.020	20	30		GEEDLM
C#CCOc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000741656649	601332935	/nfs/dbraw/zinc/33/29/35/601332935.db2.gz	DPVYORNCRJLRGL-UHFFFAOYSA-N	-1	2	379.365	2.345	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)Nc3cncc(C(=O)[O-])c3)cc2[nH]c1=S	ZINC000833380587	604597916	/nfs/dbraw/zinc/59/79/16/604597916.db2.gz	KKCVVLHMNQYYQN-UHFFFAOYSA-N	-1	2	382.401	2.217	20	30		GEEDLM
C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833367314	605325920	/nfs/dbraw/zinc/32/59/20/605325920.db2.gz	UNJXMBTZUJRJAG-UHFFFAOYSA-N	-1	2	394.336	2.245	20	30		GEEDLM
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C#N)c1	ZINC000737716512	599850428	/nfs/dbraw/zinc/85/04/28/599850428.db2.gz	AUUCPDVMHMGLPU-UHFFFAOYSA-N	-1	2	384.366	2.044	20	30		GEEDLM
CSc1[nH]c(=O)c(C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1C#N	ZINC000832770678	601802157	/nfs/dbraw/zinc/80/21/57/601802157.db2.gz	ABRUUZJOLNEGKU-UHFFFAOYSA-N	-1	2	378.435	2.497	20	30		GEEDLM
N#Cc1ccc(S(=O)(=O)Nc2cccc(OCCNC(=O)[O-])c2)c(F)c1	ZINC000740321378	603186336	/nfs/dbraw/zinc/18/63/36/603186336.db2.gz	IYIXOAMRORLKGX-UHFFFAOYSA-N	-1	2	379.369	2.145	20	30		GEEDLM
Cc1cc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])n(CCC#N)n1	ZINC000833746983	605152303	/nfs/dbraw/zinc/15/23/03/605152303.db2.gz	NCNNMDZKGMCHCH-UHFFFAOYSA-N	-1	2	385.405	2.152	20	30		GEEDLM
N#Cc1ccc(S(=O)(=O)Nc2ccc(OCCNC(=O)[O-])cc2)c(F)c1	ZINC000833977753	606079927	/nfs/dbraw/zinc/07/99/27/606079927.db2.gz	XOAXYPKIJULHAQ-UHFFFAOYSA-N	-1	2	379.369	2.145	20	30		GEEDLM
C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1	ZINC000923574038	654469833	/nfs/dbraw/zinc/46/98/33/654469833.db2.gz	COZWCQVOTVBNNE-ZDUSSCGKSA-N	-1	2	388.265	2.118	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)NC3CCC(C(=O)[O-])CC3)cc2[nH]c1=S	ZINC000271275363	600074551	/nfs/dbraw/zinc/07/45/51/600074551.db2.gz	PGLGSRQXADMDMG-UHFFFAOYSA-N	-1	2	387.461	2.244	20	30		GEEDLM
Cc1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1C(=O)[O-]	ZINC000832956704	601339084	/nfs/dbraw/zinc/33/90/84/601339084.db2.gz	VRBUVVHMHDPWBP-UHFFFAOYSA-N	-1	2	397.416	2.006	20	30		GEEDLM
C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000825631781	601484743	/nfs/dbraw/zinc/48/47/43/601484743.db2.gz	MFGQKTAIBBTIBC-UHFFFAOYSA-N	-1	2	384.772	2.385	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)N(CC(=O)[O-])C3CCCC3)cc2[nH]c1=S	ZINC000825711158	601881011	/nfs/dbraw/zinc/88/10/11/601881011.db2.gz	RGWWLQSBHXLHHW-UHFFFAOYSA-N	-1	2	387.461	2.341	20	30		GEEDLM
N#CCc1ccnc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)c1	ZINC000833069347	601965013	/nfs/dbraw/zinc/96/50/13/601965013.db2.gz	TWVGWAQJEUGLRD-UHFFFAOYSA-N	-1	2	396.222	2.409	20	30		GEEDLM
C/C(=C\COC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N)C(=O)[O-]	ZINC000825765490	601408682	/nfs/dbraw/zinc/40/86/82/601408682.db2.gz	QOSVMTNZUKNOFS-FARCUNLSSA-N	-1	2	376.312	2.344	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc2[nH]c1=S	ZINC000736117444	601592590	/nfs/dbraw/zinc/59/25/90/601592590.db2.gz	KDYIZIRYYGYGFD-CYBMUJFWSA-N	-1	2	375.450	2.100	20	30		GEEDLM
N#CCc1ccnc(NS(=O)(=O)c2ccc(Br)cc2C(=O)[O-])c1	ZINC000833069132	601965236	/nfs/dbraw/zinc/96/52/36/601965236.db2.gz	NLLVBAVUBXLYGW-UHFFFAOYSA-N	-1	2	396.222	2.409	20	30		GEEDLM
O=S(=O)(Nc1nccs1)c1ccc(N=NC2C[N@@H+]3C[C@@H]2CCC3)cc1	ZINC000863099964	653702186	/nfs/dbraw/zinc/70/21/86/653702186.db2.gz	MBEOPTUTMXEPML-LBPRGKRZSA-N	-1	2	377.495	2.437	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)cc2[nH]c1=S	ZINC000769528483	597093550	/nfs/dbraw/zinc/09/35/50/597093550.db2.gz	ULFNSSXRRCVATH-LBPRGKRZSA-N	-1	2	387.461	2.198	20	30		GEEDLM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F	ZINC000581414005	652412463	/nfs/dbraw/zinc/41/24/63/652412463.db2.gz	SECLFPTVXXFRQO-MRVPVSSYSA-N	-1	2	396.799	2.274	20	30		GEEDLM
O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)C(F)C(F)(F)F)C1)C(F)(F)F	ZINC000857631683	653328858	/nfs/dbraw/zinc/32/88/58/653328858.db2.gz	ZYGNLZOEHQZKBX-NGJCXOISSA-N	-1	2	392.193	2.487	20	30		GEEDLM
O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@@H](F)C(F)(F)F)C1)C(F)(F)F	ZINC000857631683	653328861	/nfs/dbraw/zinc/32/88/61/653328861.db2.gz	ZYGNLZOEHQZKBX-NGJCXOISSA-N	-1	2	392.193	2.487	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc2[nH]c1=S	ZINC000769546079	598195243	/nfs/dbraw/zinc/19/52/43/598195243.db2.gz	UYCOLICJWXMOAI-CQSZACIVSA-N	-1	2	375.450	2.100	20	30		GEEDLM
O=C([O-])CCCCC/N=C1/NC(=O)C(CC(=O)Nc2ccc(F)cc2)S1	ZINC000739666031	599901161	/nfs/dbraw/zinc/90/11/61/599901161.db2.gz	CEHXQMDKCQLHPQ-ZDUSSCGKSA-N	-1	2	381.429	2.387	20	30		GEEDLM
O=C([O-])CCCCC/N=C1/NC(=O)C(CC(=O)Nc2ccccc2F)S1	ZINC000739666063	599901211	/nfs/dbraw/zinc/90/12/11/599901211.db2.gz	DZGDJHWFIYPGJH-CYBMUJFWSA-N	-1	2	381.429	2.387	20	30		GEEDLM
O=C([O-])Cn1cc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)cn1	ZINC000833273674	600673682	/nfs/dbraw/zinc/67/36/82/600673682.db2.gz	BTYVGWMEAVFKSG-UHFFFAOYSA-N	-1	2	387.442	2.230	20	30		GEEDLM
N#Cc1cccc(Oc2ccc(NS(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2)c1	ZINC000833075175	600682729	/nfs/dbraw/zinc/68/27/29/600682729.db2.gz	NFBPJLPTVHHUAQ-UHFFFAOYSA-N	-1	2	398.400	2.432	20	30		GEEDLM
O=S(=O)(NN=c1c(F)c(F)[n-]c(F)c1F)c1cc(F)c(F)c(F)c1	ZINC000157566863	644135560	/nfs/dbraw/zinc/13/55/60/644135560.db2.gz	NBAHCJFLZPQJIU-UHFFFAOYSA-N	-1	2	375.225	2.361	20	30		GEEDLM
N#Cc1cc(F)c(S(=O)(=O)NC[C@@H](CCC(=O)[O-])C(F)(F)F)c(F)c1	ZINC000596039129	532582323	/nfs/dbraw/zinc/58/23/23/532582323.db2.gz	NGGQLFPEOBIMKE-MRVPVSSYSA-N	-1	2	386.298	2.158	20	30		GEEDLM
C#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)c1	ZINC000736088825	599838388	/nfs/dbraw/zinc/83/83/88/599838388.db2.gz	DVZMDIPSEDDWLI-UHFFFAOYSA-N	-1	2	395.414	2.046	20	30		GEEDLM
N#Cc1ccc(S(=O)(=O)Nc2cc3c(cc2NC(=O)[O-])OCO3)c(F)c1	ZINC000831142302	603888492	/nfs/dbraw/zinc/88/84/92/603888492.db2.gz	VUALCRAYGNIIDC-UHFFFAOYSA-N	-1	2	379.325	2.317	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C(=O)[O-])nc3)cc2[nH]c1=S	ZINC000833380525	605250065	/nfs/dbraw/zinc/25/00/65/605250065.db2.gz	IVZQPTPLDAGFMG-UHFFFAOYSA-N	-1	2	382.401	2.217	20	30		GEEDLM
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C#N)c1C	ZINC000831469968	604399466	/nfs/dbraw/zinc/39/94/66/604399466.db2.gz	AHYBPKKXMODWOH-UHFFFAOYSA-N	-1	2	380.403	2.214	20	30		GEEDLM
C[NH+]1CCC(n2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)n2)CC1	ZINC000369683798	532940355	/nfs/dbraw/zinc/94/03/55/532940355.db2.gz	PDZIKXHTEVMWQD-UHFFFAOYSA-N	-1	2	379.873	2.476	20	30		GEEDLM
N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1	ZINC000833065138	600675119	/nfs/dbraw/zinc/67/51/19/600675119.db2.gz	SSDFUBMHRCERLS-SFHVURJKSA-N	-1	2	396.428	2.424	20	30		GEEDLM
C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000827217779	600682866	/nfs/dbraw/zinc/68/28/66/600682866.db2.gz	JQPZEIIJPPWQMJ-LLVKDONJSA-N	-1	2	380.451	2.163	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc2[nH]c1=S	ZINC000736118155	600920200	/nfs/dbraw/zinc/92/02/00/600920200.db2.gz	QUYIKWVYMZXDRV-ZDUSSCGKSA-N	-1	2	389.477	2.348	20	30		GEEDLM
O=C([O-])c1ccsc1N1CC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1=O	ZINC000833336638	601177963	/nfs/dbraw/zinc/17/79/63/601177963.db2.gz	TUVPAMCYDAAOAO-VQGSWFTOSA-N	-1	2	375.362	2.285	20	30		GEEDLM
N#CC(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000833063923	601236901	/nfs/dbraw/zinc/23/69/01/601236901.db2.gz	NTFPQNRYKVSKPU-YRGRVCCFSA-N	-1	2	380.408	2.265	20	30		GEEDLM
N#C[C@H](C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000833063923	601236903	/nfs/dbraw/zinc/23/69/03/601236903.db2.gz	NTFPQNRYKVSKPU-YRGRVCCFSA-N	-1	2	380.408	2.265	20	30		GEEDLM
N#CCn1cc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1	ZINC000747406291	652163340	/nfs/dbraw/zinc/16/33/40/652163340.db2.gz	BVAAYJTVGZQMHD-UHFFFAOYSA-N	-1	2	375.193	2.212	20	30		GEEDLM
CNC(=O)CC1SC(=Nc2ccccc2)N(C2CCC(C(=O)[O-])CC2)C1=O	ZINC000820630761	598133248	/nfs/dbraw/zinc/13/32/48/598133248.db2.gz	JMCBHBWTMDYPIE-ZALBZXLWSA-N	-1	2	389.477	2.398	20	30		GEEDLM
CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C2CCC(C(=O)[O-])CC2)C1=O	ZINC000820630761	598133249	/nfs/dbraw/zinc/13/32/49/598133249.db2.gz	JMCBHBWTMDYPIE-ZALBZXLWSA-N	-1	2	389.477	2.398	20	30		GEEDLM
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C#N)ccc1C	ZINC000737717038	599816123	/nfs/dbraw/zinc/81/61/23/599816123.db2.gz	GJBBUBJCQNAGKB-UHFFFAOYSA-N	-1	2	380.403	2.214	20	30		GEEDLM
C=CCn1c(=O)c2ccc(C(=O)Nc3cc(C(=O)[O-])ccn3)cc2[nH]c1=S	ZINC000736118119	600428634	/nfs/dbraw/zinc/42/86/34/600428634.db2.gz	QLUNQOHVBBRBOS-UHFFFAOYSA-N	-1	2	382.401	2.217	20	30		GEEDLM
C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000827217781	600682753	/nfs/dbraw/zinc/68/27/53/600682753.db2.gz	JQPZEIIJPPWQMJ-NSHDSACASA-N	-1	2	380.451	2.163	20	30		GEEDLM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000833068438	602113128	/nfs/dbraw/zinc/11/31/28/602113128.db2.gz	XMMUJFOVDDDZIH-UHFFFAOYSA-N	-1	2	380.313	2.496	20	30		GEEDLM
CSc1[nH]c(=O)c(C(=O)Nc2cccc(OCCNC(=O)[O-])c2)cc1C#N	ZINC000740019913	602283339	/nfs/dbraw/zinc/28/33/39/602283339.db2.gz	AHSFMPXGVLRINL-UHFFFAOYSA-N	-1	2	388.405	2.279	20	30		GEEDLM
O=S1(=O)NC(=NN=Cc2cccc(Br)c2[O-])c2ccccc21	ZINC000915962444	654883618	/nfs/dbraw/zinc/88/36/18/654883618.db2.gz	QKTHJCTYXRFYCO-UHFFFAOYSA-N	-1	2	380.223	2.227	20	30		GEEDLM
N#Cc1cc(F)c(S(=O)(=O)NC[C@H](CCC(=O)[O-])C(F)(F)F)c(F)c1	ZINC000596039130	532582401	/nfs/dbraw/zinc/58/24/01/532582401.db2.gz	NGGQLFPEOBIMKE-QMMMGPOBSA-N	-1	2	386.298	2.158	20	30		GEEDLM
CNC(=O)CC1SC(=Nc2ccccc2)N(C2CCC(C(=O)[O-])CC2)C1=O	ZINC000820630756	598133193	/nfs/dbraw/zinc/13/31/93/598133193.db2.gz	JMCBHBWTMDYPIE-PESDSKBTSA-N	-1	2	389.477	2.398	20	30		GEEDLM
CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(C2CCC(C(=O)[O-])CC2)C1=O	ZINC000820630756	598133195	/nfs/dbraw/zinc/13/31/95/598133195.db2.gz	JMCBHBWTMDYPIE-PESDSKBTSA-N	-1	2	389.477	2.398	20	30		GEEDLM
O=C([O-])c1ccsc1N1CC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C1=O	ZINC000833336635	601177917	/nfs/dbraw/zinc/17/79/17/601177917.db2.gz	TUVPAMCYDAAOAO-DTOZUZIGSA-N	-1	2	375.362	2.285	20	30		GEEDLM
O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)C(F)C(F)(F)F)C1)C(F)(F)F	ZINC000857631685	653328713	/nfs/dbraw/zinc/32/87/13/653328713.db2.gz	ZYGNLZOEHQZKBX-SRQIZXRXSA-N	-1	2	392.193	2.487	20	30		GEEDLM
O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@H](F)C(F)(F)F)C1)C(F)(F)F	ZINC000857631685	653328719	/nfs/dbraw/zinc/32/87/19/653328719.db2.gz	ZYGNLZOEHQZKBX-SRQIZXRXSA-N	-1	2	392.193	2.487	20	30		GEEDLM
N#Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)s1	ZINC000435477851	532620232	/nfs/dbraw/zinc/62/02/32/532620232.db2.gz	QZDRQKNECRKSSY-UHFFFAOYSA-N	-1	2	380.403	2.280	20	30		GEEDLM
O=C([O-])C(C(O)=CSc1nc(=O)ccn1C1CC1)c1nc2ccccc2[nH]1	ZINC000739499614	599884287	/nfs/dbraw/zinc/88/42/87/599884287.db2.gz	SYLVUKFLOGPXOQ-UHFFFAOYSA-N	-1	2	384.417	2.073	20	30		GEEDLM
O=C([O-])Cn1cc(S(=O)(=O)Nc2ccccc2C#Cc2ccccc2)cn1	ZINC000833274318	601334656	/nfs/dbraw/zinc/33/46/56/601334656.db2.gz	ZAZRUZZMHBTSFP-UHFFFAOYSA-N	-1	2	381.413	2.168	20	30		GEEDLM
N#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000833067368	602119669	/nfs/dbraw/zinc/11/96/69/602119669.db2.gz	CYMKDTYBKARFHM-UHFFFAOYSA-N	-1	2	385.760	2.275	20	30		GEEDLM