smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(=N\N=C1/NC(=O)C[C@H](C(=O)Nc2ccccc2)S1)c1ccc([O-])cc1	ZINC000004590256	204055697	/nfs/dbraw/zinc/05/56/97/204055697.db2.gz	GQPVDBYXNQQVEL-LTNVFZTJSA-N	-1	3	382.445	2.733	50	30		GFEAHM
C=CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)CC1	ZINC000033274683	518884227	/nfs/dbraw/zinc/88/42/27/518884227.db2.gz	ZXCFXDLGPKNESQ-UHFFFAOYSA-N	-1	3	386.473	2.830	50	30		GFEAHM
COc1cc(/C=C\C(=O)c2ccc([N-]S(C)(=O)=O)cc2)ccc1OCC#N	ZINC000096402507	521982083	/nfs/dbraw/zinc/98/20/83/521982083.db2.gz	DGOLONTUKRGTSM-OQFOIZHKSA-N	-1	3	386.429	2.865	50	30		GFEAHM
O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)c1c(=O)[n-]c(=O)[nH]c1N2	ZINC000018199457	551113937	/nfs/dbraw/zinc/11/39/37/551113937.db2.gz	RVRIHIYYXOHDMV-LBPRGKRZSA-N	-1	3	378.215	2.935	50	30		GFEAHM
CCOc1ccc([C@@H]2c3c(=O)[n-]c(=O)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000001431736	570263099	/nfs/dbraw/zinc/26/30/99/570263099.db2.gz	NYBWTNBRNJLJRU-HNNXBMFYSA-N	-1	3	381.432	2.663	50	30		GFEAHM
C=CCNc1nnc(S[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1	ZINC000007025861	531537186	/nfs/dbraw/zinc/53/71/86/531537186.db2.gz	VPNOOJBRDVSCBI-SNVBAGLBSA-N	-1	3	398.535	2.871	50	30		GFEAHM
CC(C(=O)[N-]S(=O)(=O)C=Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1	ZINC000054426971	526236024	/nfs/dbraw/zinc/23/60/24/526236024.db2.gz	MZBQTWWJFAYMKJ-YLSINNKHSA-N	-1	3	397.449	2.945	50	30		GFEAHM
C[C@@H](NC(=O)CSc1nnc(NN=Cc2ccncc2)[n-]1)c1ccccc1	ZINC000020551343	570267575	/nfs/dbraw/zinc/26/75/75/570267575.db2.gz	LXZVEJPGVIRKSC-AYPRBGQRSA-N	-1	3	381.465	2.615	50	30		GFEAHM
C[C@@H](NC(=O)CSc1nnc([N-][NH+]=Cc2ccncc2)[n-]1)c1ccccc1	ZINC000020551343	570267579	/nfs/dbraw/zinc/26/75/79/570267579.db2.gz	LXZVEJPGVIRKSC-AYPRBGQRSA-N	-1	3	381.465	2.615	50	30		GFEAHM
O=C1[N-]/C(=N/N=C/c2ccc([N+](=O)[O-])cc2)S[C@@H]1Cc1ccccc1[N+](=O)[O-]	ZINC000001776044	570268105	/nfs/dbraw/zinc/26/81/05/570268105.db2.gz	KJKDCEGSGMEFMH-BFERYNQYSA-N	-1	3	399.388	2.667	50	30		GFEAHM
Cc1oc(NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)c(C#N)c1C	ZINC000012925567	570296517	/nfs/dbraw/zinc/29/65/17/570296517.db2.gz	KBZPUIPBISRDAL-UHFFFAOYSA-N	-1	3	396.447	2.763	50	30		GFEAHM
CCCCCCCn1c(=O)[nH]c([O-])c([C@H]2NCCc3c4ccccc4[nH]c32)c1=O	ZINC000070692086	520071804	/nfs/dbraw/zinc/07/18/04/520071804.db2.gz	DKFYTHCNOOWZEK-LJQANCHMSA-N	-1	3	396.491	2.929	50	30		GFEAHM
CCCCCCCn1c([O-])c([C@H]2NCCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O	ZINC000070692086	520071816	/nfs/dbraw/zinc/07/18/16/520071816.db2.gz	DKFYTHCNOOWZEK-LJQANCHMSA-N	-1	3	396.491	2.929	50	30		GFEAHM
Cc1cc(=O)oc2cc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)ccc12	ZINC000007738616	204248635	/nfs/dbraw/zinc/24/86/35/204248635.db2.gz	FYSYHOXDROCQMK-UHFFFAOYSA-N	-1	3	377.400	2.850	50	30		GFEAHM
CN(C)S(=O)(=O)c1ccc(-c2csc(=NN=Cc3ccco3)[n-]2)cc1	ZINC000004951575	521975348	/nfs/dbraw/zinc/97/53/48/521975348.db2.gz	GWCXEFGKGPBFIY-LICLKQGHSA-N	-1	3	376.463	2.521	50	30		GFEAHM
O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000048275262	570229685	/nfs/dbraw/zinc/22/96/85/570229685.db2.gz	VOOPBXLPWDYWAQ-OAHLLOKOSA-N	-1	3	376.420	2.546	50	30		GFEAHM
O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000048275262	570229690	/nfs/dbraw/zinc/22/96/90/570229690.db2.gz	VOOPBXLPWDYWAQ-OAHLLOKOSA-N	-1	3	376.420	2.546	50	30		GFEAHM
O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000048275262	570229694	/nfs/dbraw/zinc/22/96/94/570229694.db2.gz	VOOPBXLPWDYWAQ-OAHLLOKOSA-N	-1	3	376.420	2.546	50	30		GFEAHM
CC(=O)Nc1cc(C)nn1-c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000032833565	570845522	/nfs/dbraw/zinc/84/55/22/570845522.db2.gz	XIMHJNWEUZXWOJ-UHFFFAOYSA-N	-1	3	395.444	2.812	50	30		GFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1	ZINC000012547216	570848235	/nfs/dbraw/zinc/84/82/35/570848235.db2.gz	LFYVXRCOQIMEKP-OAHLLOKOSA-N	-1	3	389.459	2.859	50	30		GFEAHM
CCOc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)cc(Br)c1[O-]	ZINC000008253522	204267562	/nfs/dbraw/zinc/26/75/62/204267562.db2.gz	MOAKNISVIWWOBF-CYBMUJFWSA-N	-1	3	385.283	2.935	50	30		GFEAHM
COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(Br)c1	ZINC000328594073	563460870	/nfs/dbraw/zinc/46/08/70/563460870.db2.gz	NSYUFASBFIXLPK-UHFFFAOYSA-N	-1	3	395.234	2.908	50	30		GFEAHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2OC)ccc1F	ZINC000028999333	570310462	/nfs/dbraw/zinc/31/04/62/570310462.db2.gz	RNGGRYMZZVSRMO-UHFFFAOYSA-N	-1	3	378.425	2.859	50	30		GFEAHM
Cc1ccsc1CN(CCC(=O)N[O-])S(=O)(=O)c1ccc(Cl)cc1	ZINC000020665160	570794929	/nfs/dbraw/zinc/79/49/29/570794929.db2.gz	BZJJDUWKPHCSQR-UHFFFAOYSA-N	-1	3	388.898	2.796	50	30		GFEAHM
NC1=C(c2nc3ccccc3c(=O)[n-]2)C(=O)CN1c1ccc(Cl)cc1Cl	ZINC000018175921	570807531	/nfs/dbraw/zinc/80/75/31/570807531.db2.gz	SQFCELNCLKQYQY-UHFFFAOYSA-N	-1	3	387.226	2.947	50	30		GFEAHM
COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc([N+](=O)[O-])c1[O-]	ZINC000018195935	570808613	/nfs/dbraw/zinc/80/86/13/570808613.db2.gz	CFGHHBQMIYUNIB-OAHLLOKOSA-N	-1	3	385.380	2.559	50	30		GFEAHM
O=c1[n-]c(=O)c2c([nH]1)NC1=C(C(=O)C[C@H](c3ccco3)C1)[C@H]2c1ccc(F)cc1	ZINC000018199537	570809430	/nfs/dbraw/zinc/80/94/30/570809430.db2.gz	DCOSVRILDKMGGI-BDJLRTHQSA-N	-1	3	393.374	2.754	50	30		GFEAHM
CCOc1ccc([C@@H]2C3=C(Nc4[nH]c(=O)[n-]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000018201192	570809561	/nfs/dbraw/zinc/80/95/61/570809561.db2.gz	XZVULQSOIMFNEU-OAHLLOKOSA-N	-1	3	387.395	2.627	50	30		GFEAHM
CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(C)=O)cc(Br)c1[O-]	ZINC000008253524	204268382	/nfs/dbraw/zinc/26/83/82/204268382.db2.gz	MOAKNISVIWWOBF-ZDUSSCGKSA-N	-1	3	385.283	2.935	50	30		GFEAHM
COc1ccc(CN2C(=O)[C@]([O-])(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1	ZINC000009134605	204299701	/nfs/dbraw/zinc/29/97/01/204299701.db2.gz	JCYBEKZPTLWCCP-SFHVURJKSA-N	-1	3	383.366	2.974	50	30		GFEAHM
CCN(Cc1ccc2c(c1)OCO2)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000039978553	205044939	/nfs/dbraw/zinc/04/49/39/205044939.db2.gz	ICHFPCMOFXIPGZ-UHFFFAOYSA-N	-1	3	381.432	2.573	50	30		GFEAHM
O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000048275264	570229736	/nfs/dbraw/zinc/22/97/36/570229736.db2.gz	VOOPBXLPWDYWAQ-HNNXBMFYSA-N	-1	3	376.420	2.546	50	30		GFEAHM
O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000048275264	570229739	/nfs/dbraw/zinc/22/97/39/570229739.db2.gz	VOOPBXLPWDYWAQ-HNNXBMFYSA-N	-1	3	376.420	2.546	50	30		GFEAHM
O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000048275264	570229743	/nfs/dbraw/zinc/22/97/43/570229743.db2.gz	VOOPBXLPWDYWAQ-HNNXBMFYSA-N	-1	3	376.420	2.546	50	30		GFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCSCc1ccsc1	ZINC000023198351	570960089	/nfs/dbraw/zinc/96/00/89/570960089.db2.gz	CUVNDHOYVFARTN-UHFFFAOYSA-N	-1	3	375.519	2.907	50	30		GFEAHM
COc1cc(C=NN2C(=O)c3ccccc3C2=O)cc(Br)c1[O-]	ZINC000254790804	655435875	/nfs/dbraw/zinc/43/58/75/655435875.db2.gz	LGMJNENMRFFINS-UHFFFAOYSA-N	-1	3	375.178	2.793	50	30		GFEAHM
C=CCn1c(C)nnc1S[C@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000007026450	519173862	/nfs/dbraw/zinc/17/38/62/519173862.db2.gz	DVAMEULVNQVYKC-LLVKDONJSA-N	-1	3	380.495	2.508	50	30		GFEAHM
N#CCCN1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1	ZINC000020720037	526461125	/nfs/dbraw/zinc/46/11/25/526461125.db2.gz	XUXIJKMVPFLPOU-INIZCTEOSA-N	-1	3	391.269	2.587	50	30		GFEAHM
Cn1c(=O)cc(Oc2ccccc2/N=C/c2cc(Cl)ccc2[O-])n(C)c1=O	ZINC000100261935	527029368	/nfs/dbraw/zinc/02/93/68/527029368.db2.gz	DWLFXRAPXKEDFS-SRZZPIQSSA-N	-1	3	385.807	2.986	50	30		GFEAHM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1I	ZINC000016101395	207073207	/nfs/dbraw/zinc/07/32/07/207073207.db2.gz	XAKRGWVAODBKQD-UHFFFAOYSA-N	-1	3	384.198	2.964	50	30		GFEAHM
C=CCc1c(OCC(=O)Nc2ccccc2[O-])ccc2nc3n(c(=O)c21)CCC3	ZINC000020762838	519122473	/nfs/dbraw/zinc/12/24/73/519122473.db2.gz	VJTQPCORBPRBHA-UHFFFAOYSA-N	-1	3	391.427	2.794	50	30		GFEAHM
O=C1[N-]/C(=N\N=C/c2ccc([N+](=O)[O-])cc2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1	ZINC000006142061	570276792	/nfs/dbraw/zinc/27/67/92/570276792.db2.gz	LELTVBDGYLCUNU-YQYFLZKSSA-N	-1	3	399.388	2.667	50	30		GFEAHM
CNC(=O)N([O-])[C@H]1N(/N=C/c2ccc(N(C)C)cc2)C(=S)SC1(C)C	ZINC000013138742	570749052	/nfs/dbraw/zinc/74/90/52/570749052.db2.gz	NTWIGNCOACPQAH-HVOBPNNYSA-N	-1	3	381.527	2.556	50	30		GFEAHM
COc1cccc(CNN2[C@H]([S-])NN[C@H]2c2cccc(OC(C)C)c2)c1O	ZINC000019170970	570959511	/nfs/dbraw/zinc/95/95/11/570959511.db2.gz	FLAJBMJLQUFRKR-RTBURBONSA-N	-1	3	390.509	2.515	50	30		GFEAHM
C=CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2	ZINC000046074470	571019547	/nfs/dbraw/zinc/01/95/47/571019547.db2.gz	KSKRPFRSRTYZHH-CYBMUJFWSA-N	-1	3	384.461	2.729	50	30		GFEAHM
CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(OCC#N)cc1	ZINC000023228603	519821314	/nfs/dbraw/zinc/82/13/14/519821314.db2.gz	TXGHDMAKPQDOSA-INIZCTEOSA-N	-1	3	393.490	2.592	50	30		GFEAHM
COc1cc(C=NNc2[n-]c(=O)nnc2C)ccc1OCc1cccc(C)c1	ZINC000004422751	521992325	/nfs/dbraw/zinc/99/23/25/521992325.db2.gz	WYOINAGOVQGAGJ-SRZZPIQSSA-N	-1	3	379.420	2.815	50	30		GFEAHM
CS(=O)(=O)[N-]c1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1	ZINC000024508364	570302453	/nfs/dbraw/zinc/30/24/53/570302453.db2.gz	CHQYDFCVTXWVDY-UHFFFAOYSA-N	-1	3	396.390	2.858	50	30		GFEAHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(-n3ncc(C#N)c3N)cc2)cc1	ZINC000032815163	570836546	/nfs/dbraw/zinc/83/65/46/570836546.db2.gz	HWQODTSTXJFYEG-UHFFFAOYSA-N	-1	3	383.433	2.526	50	30		GFEAHM
C=CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1CC)CC(=O)N2	ZINC000046074462	571019841	/nfs/dbraw/zinc/01/98/41/571019841.db2.gz	NNZVHIOHCCWVHP-LBPRGKRZSA-N	-1	3	384.461	2.675	50	30		GFEAHM
O=C1CCCC2=C1[C@H](c1ccc(C(F)(F)F)cc1)c1c(=O)[n-]c(=O)[nH]c1N2	ZINC000000921419	206333696	/nfs/dbraw/zinc/33/36/96/206333696.db2.gz	STKHCUUMZHJHKZ-LBPRGKRZSA-N	-1	3	377.322	2.647	50	30		GFEAHM
NC1=C(c2nc3ccccc3c(=O)[n-]2)C(=O)CN1c1cccc(Cl)c1Cl	ZINC000000939948	206336180	/nfs/dbraw/zinc/33/61/80/206336180.db2.gz	BYQZSBMCVLTOBJ-UHFFFAOYSA-N	-1	3	387.226	2.947	50	30		GFEAHM
[O-]c1ccc(Br)cc1C=NN1C(=S)N=NC1c1cccnc1	ZINC000001307767	206372446	/nfs/dbraw/zinc/37/24/46/206372446.db2.gz	CPXNIVXCOYQNGT-CAOOACKPSA-N	-1	3	376.239	2.979	50	30		GFEAHM
O=C1c2ccccc2C2=C1[C@@H](c1ccccc1Cl)c1c(=O)[n-]c(=O)[nH]c1N2	ZINC000018201172	207095217	/nfs/dbraw/zinc/09/52/17/207095217.db2.gz	TXZIKUNZNRCHNX-CYBMUJFWSA-N	-1	3	377.787	2.882	50	30		GFEAHM
C[C@@H](CCNC(=O)c1cccc(-c2cc(C#N)ccc2[O-])c1)N1CCOCC1	ZINC000426515522	533607275	/nfs/dbraw/zinc/60/72/75/533607275.db2.gz	LMAXBNVKPOHELE-INIZCTEOSA-N	-1	3	379.460	2.771	50	30		GFEAHM
C=CCOc1ccc(C2=NOC3=C([O-])N(c4ccccc4)C(=O)[C@H]23)cc1OC	ZINC000101306603	519029265	/nfs/dbraw/zinc/02/92/65/519029265.db2.gz	RLVJYGUWIIGPPJ-MJGOQNOKSA-N	-1	3	378.384	2.553	50	30		GFEAHM
COc1cccc(C=NNc2[n-]c(=O)nnc2C)c1OCc1ccccc1F	ZINC000004422765	525773801	/nfs/dbraw/zinc/77/38/01/525773801.db2.gz	QZZUVPLREPUPAD-UFFVCSGVSA-N	-1	3	383.383	2.646	50	30		GFEAHM
O=C(CSc1nnc([N-][NH+]=Cc2ccc(O)cc2)[n-]1)c1ccc2c(c1)OCO2	ZINC000036610912	527050381	/nfs/dbraw/zinc/05/03/81/527050381.db2.gz	GFWDBDRNCZTOFJ-UFWORHAWSA-N	-1	3	397.416	2.660	50	30		GFEAHM
O=C(CSc1nnc(NN=Cc2ccc(O)cc2)[n-]1)c1ccc2c(c1)OCO2	ZINC000036610912	527050385	/nfs/dbraw/zinc/05/03/85/527050385.db2.gz	GFWDBDRNCZTOFJ-UFWORHAWSA-N	-1	3	397.416	2.660	50	30		GFEAHM
COc1cc(C=N[O-])cc(Br)c1OCC(=O)NCc1ccccc1	ZINC000252603634	553150498	/nfs/dbraw/zinc/15/04/98/553150498.db2.gz	FSQVHLHHCYBKHC-UHFFFAOYSA-N	-1	3	393.237	2.961	50	30		GFEAHM
C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@@H]1c1ccc(C(C)C)cc1	ZINC000006202476	206228827	/nfs/dbraw/zinc/22/88/27/206228827.db2.gz	DQYVEYUCFQOPPD-MRXNPFEDSA-N	-1	3	381.432	2.747	50	30		GFEAHM
Cc1cccc2c3nnc([N-]N=Cc4cc5c(cc4[N+](=O)[O-])OCO5)nc3[nH]c21	ZINC000036047262	524968633	/nfs/dbraw/zinc/96/86/33/524968633.db2.gz	KCIVOIKILOFOAL-GXHLCREISA-N	-1	3	391.347	2.897	50	30		GFEAHM
CC(C)OC(=O)c1ccc(-n2cc([O-])c(-c3nc4ccccc4[nH]3)c2N)cc1	ZINC000005009285	570395048	/nfs/dbraw/zinc/39/50/48/570395048.db2.gz	WKBLAMGSNIGJML-UHFFFAOYSA-N	-1	3	376.416	2.845	50	30		GFEAHM
COc1cccc(CNN2[C@H]([S-])NN[C@@H]2c2cccc(OC(C)C)c2)c1O	ZINC000019171154	570959384	/nfs/dbraw/zinc/95/93/84/570959384.db2.gz	FLAJBMJLQUFRKR-RBUKOAKNSA-N	-1	3	390.509	2.515	50	30		GFEAHM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2[O-])[C@H]1c1ccccc1F	ZINC000020309249	207187387	/nfs/dbraw/zinc/18/73/87/207187387.db2.gz	PGVHCOAQTBNYGY-GOSISDBHSA-N	-1	3	384.407	2.671	50	30		GFEAHM
COc1ccc(C=[NH+][N-]c2nnc(SCC(=O)NCc3ccccc3)[n-]2)cc1	ZINC000006127631	523450553	/nfs/dbraw/zinc/45/05/53/523450553.db2.gz	LNJPQDLOQTVRMZ-CIAFOILYSA-N	-1	3	396.476	2.668	50	30		GFEAHM
COc1ccc(C=NNc2nnc(SCC(=O)NCc3ccccc3)[n-]2)cc1	ZINC000006127631	523450566	/nfs/dbraw/zinc/45/05/66/523450566.db2.gz	LNJPQDLOQTVRMZ-CIAFOILYSA-N	-1	3	396.476	2.668	50	30		GFEAHM
COc1cccc(C=NNc2[n-]c(=O)nnc2C)c1OCc1cccc(C)c1	ZINC000004422766	525771890	/nfs/dbraw/zinc/77/18/90/525771890.db2.gz	XOAGILMVMVMKMR-SRZZPIQSSA-N	-1	3	379.420	2.815	50	30		GFEAHM
COc1cc(/C=N/[O-])cc(Br)c1OCC(=O)NCc1ccccc1	ZINC000013108817	551108449	/nfs/dbraw/zinc/10/84/49/551108449.db2.gz	FSQVHLHHCYBKHC-KEBDBYFISA-N	-1	3	393.237	2.961	50	30		GFEAHM
COc1ccc(C(C)=NNc2nnc(SCC(=O)OC(C)C)[n-]2)cc1OC	ZINC000020549775	570267629	/nfs/dbraw/zinc/26/76/29/570267629.db2.gz	WGHPQHDFOPGHRA-YBFXNURJSA-N	-1	3	393.469	2.702	50	30		GFEAHM
COc1ccc(C(C)=[NH+][N-]c2nnc(SCC(=O)OC(C)C)[n-]2)cc1OC	ZINC000020549775	570267631	/nfs/dbraw/zinc/26/76/31/570267631.db2.gz	WGHPQHDFOPGHRA-YBFXNURJSA-N	-1	3	393.469	2.702	50	30		GFEAHM
CNC(=O)N([O-])[C@H]1N(/N=C/c2c[nH]c3ccccc23)C(=S)SC1(C)C	ZINC000004795101	570993927	/nfs/dbraw/zinc/99/39/27/570993927.db2.gz	TWFUXWZXEZPVGZ-VDLQQMNMSA-N	-1	3	377.495	2.971	50	30		GFEAHM
C=CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Cl)cc1)CC(=O)N2	ZINC000046074425	571019692	/nfs/dbraw/zinc/01/96/92/571019692.db2.gz	IQRFIEXYQCATSW-LLVKDONJSA-N	-1	3	390.852	2.766	50	30		GFEAHM
O=C1c2ccccc2C2=C1[C@H](c1ccnc3ccccc31)c1c(=O)[n-]c(=O)[nH]c1N2	ZINC000018201107	207095277	/nfs/dbraw/zinc/09/52/77/207095277.db2.gz	MEOKHTVBFJQYEF-INIZCTEOSA-N	-1	3	394.390	2.776	50	30		GFEAHM
O=C1c2ccccc2C2=C1[C@H](c1ccccc1Cl)c1c(=O)[n-]c(=O)[nH]c1N2	ZINC000018201170	207096082	/nfs/dbraw/zinc/09/60/82/207096082.db2.gz	TXZIKUNZNRCHNX-ZDUSSCGKSA-N	-1	3	377.787	2.882	50	30		GFEAHM
CCCCCCCn1c(=O)[nH]c([O-])c([C@@H]2NCCc3c4ccccc4[nH]c32)c1=O	ZINC000070692087	520072766	/nfs/dbraw/zinc/07/27/66/520072766.db2.gz	DKFYTHCNOOWZEK-IBGZPJMESA-N	-1	3	396.491	2.929	50	30		GFEAHM
CCCCCCCn1c([O-])c([C@@H]2NCCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O	ZINC000070692087	520072773	/nfs/dbraw/zinc/07/27/73/520072773.db2.gz	DKFYTHCNOOWZEK-IBGZPJMESA-N	-1	3	396.491	2.929	50	30		GFEAHM
COc1cc(C=NNc2nc([O-])cs2)ccc1OC(=O)c1cccc(C)c1	ZINC000020034868	521990099	/nfs/dbraw/zinc/99/00/99/521990099.db2.gz	NOCIMZQUVVNXCY-KEBDBYFISA-N	-1	3	383.429	2.776	50	30		GFEAHM
C=CCSc1nnc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1	ZINC000012917264	551107733	/nfs/dbraw/zinc/10/77/33/551107733.db2.gz	IFDYPBTXKREQDJ-UHFFFAOYSA-N	-1	3	375.479	2.564	50	30		GFEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccccc2)NCCc2c[nH]cn2)n1	ZINC000014729857	570856998	/nfs/dbraw/zinc/85/69/98/570856998.db2.gz	DFSFQNQMKZOAMJ-UHFFFAOYSA-N	-1	3	378.440	2.649	50	30		GFEAHM
COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1[O-]	ZINC000001215966	206367515	/nfs/dbraw/zinc/36/75/15/206367515.db2.gz	QOHUJNAJUYPKQA-RQZCQDPDSA-N	-1	3	399.266	2.784	50	30		GFEAHM
Cc1ccc(-c2nnco2)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000032933490	207420844	/nfs/dbraw/zinc/42/08/44/207420844.db2.gz	VYBYOVPZGVUMOF-UHFFFAOYSA-N	-1	3	377.404	2.793	50	30		GFEAHM
CCOC(=O)C1=C(C)N[C@@]([N-]c2nc3ccccc3s2)(C(F)(F)F)C1=O	ZINC000100999827	208385067	/nfs/dbraw/zinc/38/50/67/208385067.db2.gz	AOZZGOHITMSTFR-HNNXBMFYSA-N	-1	3	385.367	2.976	50	30		GFEAHM
COc1ccc(CN2C(=O)[C@@]([O-])(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1	ZINC000012402189	524020348	/nfs/dbraw/zinc/02/03/48/524020348.db2.gz	JCYBEKZPTLWCCP-GOSISDBHSA-N	-1	3	383.366	2.974	50	30		GFEAHM
Cc1cc(NN=Cc2cc(Br)ccc2[O-])nc(N2CCOCC2)n1	ZINC000004837593	525044959	/nfs/dbraw/zinc/04/49/59/525044959.db2.gz	HULGLDWHJAXGOC-VCHYOVAHSA-N	-1	3	392.257	2.536	50	30		GFEAHM
COc1ccc(C(C)=[NH+][N-]c2nnc(SCC(=O)OC(C)C)[n-]2)c(OC)c1	ZINC000020549777	570267458	/nfs/dbraw/zinc/26/74/58/570267458.db2.gz	WFFJFBOHUIEOJD-YBFXNURJSA-N	-1	3	393.469	2.702	50	30		GFEAHM
COc1cccc(CNN2[C@@H]([S-])NN[C@@H]2c2cccc(OC(C)C)c2)c1O	ZINC000019171148	570959483	/nfs/dbraw/zinc/95/94/83/570959483.db2.gz	FLAJBMJLQUFRKR-OALUTQOASA-N	-1	3	390.509	2.515	50	30		GFEAHM
C=CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2	ZINC000046075650	571019782	/nfs/dbraw/zinc/01/97/82/571019782.db2.gz	UOSMWIJHBNNGPI-ZDUSSCGKSA-N	-1	3	384.461	2.729	50	30		GFEAHM
COc1cc(C=NNC(=S)Nc2cccnc2)cc(Br)c1[O-]	ZINC000006475982	654455872	/nfs/dbraw/zinc/45/58/72/654455872.db2.gz	BJWPDOUAQLXNBB-UHFFFAOYSA-N	-1	3	381.255	2.879	50	30		GFEAHM
[O-]c1cc(O)ccc1C=NN1C(=S)N=NC1c1cc(-c2ccccc2)n[nH]1	ZINC000005596016	526339922	/nfs/dbraw/zinc/33/99/22/526339922.db2.gz	GYAKXPDJPFWKCM-VXLYETTFSA-N	-1	3	378.417	2.917	50	30		GFEAHM
CSc1ccc([C@@H]2c3c(=O)[n-]c(=O)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004384701	570372496	/nfs/dbraw/zinc/37/24/96/570372496.db2.gz	NJXSGHJBKLPELN-AWEZNQCLSA-N	-1	3	383.473	2.986	50	30		GFEAHM
CCCOc1ccc(N2CC(=O)C(c3nc4ccc(C)cc4c(=O)[n-]3)=C2N)cc1	ZINC000001792386	209340214	/nfs/dbraw/zinc/34/02/14/209340214.db2.gz	VZCSQTGPFNFJOV-UHFFFAOYSA-N	-1	3	390.443	2.737	50	30		GFEAHM
COc1ccc(/C=N/N=C2\SC(CC(=O)[O-])C(=O)N2c2ccc(O)cc2)cc1	ZINC000004159201	570965682	/nfs/dbraw/zinc/96/56/82/570965682.db2.gz	TUXQJGHLHDZSOD-ZWHRXLKRSA-N	-1	3	399.428	2.714	50	30		GFEAHM
C=CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1CC)CC(=O)N2	ZINC000046074459	571019670	/nfs/dbraw/zinc/01/96/70/571019670.db2.gz	NNZVHIOHCCWVHP-GFCCVEGCSA-N	-1	3	384.461	2.675	50	30		GFEAHM
[O-]c1ccc(Br)cc1C=NN1C(=S)N=NC1c1ccccn1	ZINC000005024997	209559723	/nfs/dbraw/zinc/55/97/23/209559723.db2.gz	RGUOIZCGTDDETA-CAOOACKPSA-N	-1	3	376.239	2.979	50	30		GFEAHM
Cc1c(C#N)c([N-]C(=O)c2cc(C(F)(F)F)n(C)n2)sc1C(=O)N(C)C	ZINC000002782251	209384986	/nfs/dbraw/zinc/38/49/86/209384986.db2.gz	AXDVLNQOFWJLMG-UHFFFAOYSA-N	-1	3	385.371	2.635	50	30		GFEAHM
N#Cc1c(N)n(-c2cccc([O-])c2)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3nc12	ZINC000009427743	209279019	/nfs/dbraw/zinc/27/90/19/209279019.db2.gz	YEXORNHCBXKSCJ-UHFFFAOYSA-N	-1	3	391.303	2.550	50	30		GFEAHM
C#CCOc1c(Cl)cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc1OCC	ZINC000016213746	209167170	/nfs/dbraw/zinc/16/71/70/209167170.db2.gz	ZLELXFWIDYGVFB-ZROIWOOFSA-N	-1	3	378.837	2.857	50	30		GFEAHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]/N=C(\c2ccccc2)c2ccccn2)cc1	ZINC000017078063	527374021	/nfs/dbraw/zinc/37/40/21/527374021.db2.gz	BXCTVIUFYZIWOY-CZIZESTLSA-N	-1	3	382.401	2.721	50	30		GFEAHM
CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)Cn2nc(C(F)F)cc2C(F)F)N1	ZINC000004652284	570389703	/nfs/dbraw/zinc/38/97/03/570389703.db2.gz	QRUWYUNGKPVHDH-LLVKDONJSA-N	-1	3	376.232	2.617	50	30		GFEAHM
COC(=O)c1ccc2c(=O)[nH]c3c(-c4nc5ccccc5s4)c([O-])cn3c2c1	ZINC000101095060	570811977	/nfs/dbraw/zinc/81/19/77/570811977.db2.gz	ZKAHSORNBZWCQQ-UHFFFAOYSA-N	-1	3	391.408	2.584	50	30		GFEAHM
O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)c1c(=O)[n-]c(=O)[nH]c1N2	ZINC000018199453	210217186	/nfs/dbraw/zinc/21/71/86/210217186.db2.gz	UWBMZTGBZNUIAN-NSHDSACASA-N	-1	3	378.215	2.935	50	30		GFEAHM
CN(/N=C/c1cc(Br)ccc1[O-])C1=NS(=O)(=O)c2ccccc21	ZINC000001059682	209295735	/nfs/dbraw/zinc/29/57/35/209295735.db2.gz	HCBCRYWKMLWIBG-RQZCQDPDSA-N	-1	3	394.250	2.570	50	30		GFEAHM
COc1cc([C@@H]2C3C(=O)CCCC3=Nc3ncnn32)cc(Br)c1[O-]	ZINC000000955860	209283870	/nfs/dbraw/zinc/28/38/70/209283870.db2.gz	UZVNXGLIYHEOHF-CQSZACIVSA-N	-1	3	391.225	2.777	50	30		GFEAHM
COc1cccc(C=NNc2[n-]c(=O)nnc2C)c1OCc1ccc(F)cc1	ZINC000004422761	525773836	/nfs/dbraw/zinc/77/38/36/525773836.db2.gz	PDACNJOCUQAXMO-UFFVCSGVSA-N	-1	3	383.383	2.646	50	30		GFEAHM
Cn1c(=O)cc(Oc2ccccc2/N=C\c2cc(Cl)ccc2[O-])n(C)c1=O	ZINC000017299616	527028369	/nfs/dbraw/zinc/02/83/69/527028369.db2.gz	DWLFXRAPXKEDFS-NHDPSOOVSA-N	-1	3	385.807	2.986	50	30		GFEAHM
COc1cc(C=NNc2[n-]c(=O)nnc2C)ccc1OCc1ccc(C)cc1	ZINC000003947129	521993608	/nfs/dbraw/zinc/99/36/08/521993608.db2.gz	SSJYBNLIBZHCHE-SRZZPIQSSA-N	-1	3	379.420	2.815	50	30		GFEAHM
C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@H]1c1ccc(C(C)C)cc1	ZINC000006202405	209143403	/nfs/dbraw/zinc/14/34/03/209143403.db2.gz	DQYVEYUCFQOPPD-INIZCTEOSA-N	-1	3	381.432	2.747	50	30		GFEAHM
N#CCCN1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1	ZINC000020720042	526460936	/nfs/dbraw/zinc/46/09/36/526460936.db2.gz	XUXIJKMVPFLPOU-MRXNPFEDSA-N	-1	3	391.269	2.587	50	30		GFEAHM
Cc1noc(C)c1S(=O)(=O)[N-]CC#CCOc1cccc(C(F)(F)F)c1	ZINC000090610484	570385975	/nfs/dbraw/zinc/38/59/75/570385975.db2.gz	HQEMLGVNMXCYDO-UHFFFAOYSA-N	-1	3	388.367	2.671	50	30		GFEAHM
C=CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Cl)cc1)CC(=O)N2	ZINC000046074422	571019655	/nfs/dbraw/zinc/01/96/55/571019655.db2.gz	IQRFIEXYQCATSW-NSHDSACASA-N	-1	3	390.852	2.766	50	30		GFEAHM
CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(OCC#N)cc1	ZINC000023228601	519799446	/nfs/dbraw/zinc/79/94/46/519799446.db2.gz	TXGHDMAKPQDOSA-MRXNPFEDSA-N	-1	3	393.490	2.592	50	30		GFEAHM
COC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)ON=C(C)Cl)cc1)C(F)(F)F	ZINC000239038386	553087213	/nfs/dbraw/zinc/08/72/13/553087213.db2.gz	DBWBCXKDTBZQQT-ZDUSSCGKSA-N	-1	3	382.722	2.755	50	30		GFEAHM
CCOc1ccc([C@H]2c3c(=O)[n-]c(=O)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000001431735	570263129	/nfs/dbraw/zinc/26/31/29/570263129.db2.gz	NYBWTNBRNJLJRU-OAHLLOKOSA-N	-1	3	381.432	2.663	50	30		GFEAHM
COc1cc2c(=O)[nH]c3c(-c4nc5ccccc5s4)c([O-])cn3c2cc1OC	ZINC000101240115	570817452	/nfs/dbraw/zinc/81/74/52/570817452.db2.gz	BOUVVAPHQHABBM-UHFFFAOYSA-N	-1	3	393.424	2.815	50	30		GFEAHM
O=C1CCCC2=C1[C@@H](c1ccc(C(F)(F)F)cc1)c1c(=O)[n-]c(=O)[nH]c1N2	ZINC000000921416	209279754	/nfs/dbraw/zinc/27/97/54/209279754.db2.gz	STKHCUUMZHJHKZ-GFCCVEGCSA-N	-1	3	377.322	2.647	50	30		GFEAHM
CCOc1cc(C=NNc2[n-]c(=O)nnc2C)ccc1OCc1ccccc1	ZINC000003947323	520642637	/nfs/dbraw/zinc/64/26/37/520642637.db2.gz	HUAMDKXFGZVKIS-CIAFOILYSA-N	-1	3	379.420	2.897	50	30		GFEAHM
O=C1CCCC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)c1c(=O)[n-]c(=O)[nH]c1N2	ZINC000004948936	551095572	/nfs/dbraw/zinc/09/55/72/551095572.db2.gz	LBUROOZUZDUCLS-GFCCVEGCSA-N	-1	3	378.215	2.935	50	30		GFEAHM
CCN(CC)S(=O)(=O)c1ccc([N-]N=C2c3cc(C)ccc3NC2=O)nc1	ZINC000006408242	570790996	/nfs/dbraw/zinc/79/09/96/570790996.db2.gz	QDZCNRFEFHLCLU-UHFFFAOYSA-N	-1	3	387.465	2.838	50	30		GFEAHM
O=C1c2ccccc2C2=C1[C@@H](c1ccnc3ccccc31)c1c(=O)[n-]c(=O)[nH]c1N2	ZINC000018201105	210217022	/nfs/dbraw/zinc/21/70/22/210217022.db2.gz	MEOKHTVBFJQYEF-MRXNPFEDSA-N	-1	3	394.390	2.776	50	30		GFEAHM
CSc1ccc([C@@H]2C3=C(Nc4[nH]c(=O)[n-]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000018201248	210216056	/nfs/dbraw/zinc/21/60/56/210216056.db2.gz	WIUJBIYBNNKNJC-CQSZACIVSA-N	-1	3	389.436	2.950	50	30		GFEAHM
Cc1c(C#N)c(=O)[n-]cc1C(=O)N(CCc1ccccc1)C1CCN(C)CC1	ZINC000072481163	211124060	/nfs/dbraw/zinc/12/40/60/211124060.db2.gz	SFVAEGRWDLATRL-UHFFFAOYSA-N	-1	3	378.476	2.746	50	30		GFEAHM
CCCOC(=O)c1ccc(-n2cc([O-])c(-c3nc4ccccc4[nH]3)c2N)cc1	ZINC000005009284	570394934	/nfs/dbraw/zinc/39/49/34/570394934.db2.gz	WDJALSCFWHAFLU-UHFFFAOYSA-N	-1	3	376.416	2.846	50	30		GFEAHM
CNC(=O)N([O-])[C@@H]1N(/N=C/c2c[nH]c3ccccc23)C(=S)SC1(C)C	ZINC000004795098	570993835	/nfs/dbraw/zinc/99/38/35/570993835.db2.gz	TWFUXWZXEZPVGZ-PFHXIJNMSA-N	-1	3	377.495	2.971	50	30		GFEAHM
C=CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2	ZINC000046075647	571019735	/nfs/dbraw/zinc/01/97/35/571019735.db2.gz	UOSMWIJHBNNGPI-CYBMUJFWSA-N	-1	3	384.461	2.729	50	30		GFEAHM
CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2c([O-])ccc3ccccc32)cc1	ZINC000001072512	212213520	/nfs/dbraw/zinc/21/35/20/212213520.db2.gz	VORXYMOQTYOBOX-UDWIEESQSA-N	-1	3	383.429	2.816	50	30		GFEAHM
COc1cc(/C=C2\CS(=O)(=O)c3c(F)cccc3C2=O)cc(OC)c1[O-]	ZINC000009690758	221090422	/nfs/dbraw/zinc/09/04/22/221090422.db2.gz	RHRVJODASFAXOJ-IZZDOVSWSA-N	-1	3	378.377	2.602	50	30		GFEAHM
COCc1cc(=O)[n-]c(NC(=N)Nc2cc(C(F)(F)F)ccc2Cl)n1	ZINC000018163111	221388365	/nfs/dbraw/zinc/38/83/65/221388365.db2.gz	YNECHJRCOBJWJY-UHFFFAOYSA-N	-1	3	375.738	2.647	50	30		GFEAHM
COc1cc(C=NNc2[n-]c(=O)nnc2C)ccc1OCc1ccc(F)cc1	ZINC000004422754	521993001	/nfs/dbraw/zinc/99/30/01/521993001.db2.gz	KPLUUSVKQUAGJE-UFFVCSGVSA-N	-1	3	383.383	2.646	50	30		GFEAHM
CCOc1cc(C=NNS(=O)(=O)c2ccccc2)cc(Br)c1[O-]	ZINC000252612893	553150080	/nfs/dbraw/zinc/15/00/80/553150080.db2.gz	IWMOUPMVFPUCRZ-UHFFFAOYSA-N	-1	3	399.266	2.866	50	30		GFEAHM
C=CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(Cl)c1)CC(=O)N2	ZINC000046074419	571019606	/nfs/dbraw/zinc/01/96/06/571019606.db2.gz	PILATRXFEAFGPD-LLVKDONJSA-N	-1	3	390.852	2.766	50	30		GFEAHM
COc1ccccc1-c1nc(NC(=O)Cn2cnc3sccc3c2=O)n[n-]1	ZINC000064490195	222072686	/nfs/dbraw/zinc/07/26/86/222072686.db2.gz	SAXFRMWBUHLBEK-UHFFFAOYSA-N	-1	3	382.405	2.540	50	30		GFEAHM
O=c1[nH]c2cc3c(cc2cc1C=N[N-]c1nnc2c4ccccc4[nH]c2n1)OCO3	ZINC000008742999	221054440	/nfs/dbraw/zinc/05/44/40/221054440.db2.gz	ZBPLXRPEAXUOCK-ODCIPOBUSA-N	-1	3	399.370	2.522	50	30		GFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](Cc1ncc[nH]1)c1ccccc1	ZINC000012507532	221200355	/nfs/dbraw/zinc/20/03/55/221200355.db2.gz	JDOLAZWJQGYRMG-IBGZPJMESA-N	-1	3	389.459	2.619	50	30		GFEAHM
Cc1cc(C)cc(OCCN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000014015088	221296107	/nfs/dbraw/zinc/29/61/07/221296107.db2.gz	NISQKGOHPIPNTF-UHFFFAOYSA-N	-1	3	381.476	2.950	50	30		GFEAHM
CC(C(=O)[N-]S(=O)(=O)C=Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1	ZINC000054426969	526235577	/nfs/dbraw/zinc/23/55/77/526235577.db2.gz	MZBQTWWJFAYMKJ-HHQWOOOKSA-N	-1	3	397.449	2.945	50	30		GFEAHM
COC(=O)[C@]([O-])(c1ccc(N(C)C(=O)ON=C(C)Cl)cc1)C(F)(F)F	ZINC000239038385	553087423	/nfs/dbraw/zinc/08/74/23/553087423.db2.gz	DBWBCXKDTBZQQT-CYBMUJFWSA-N	-1	3	382.722	2.755	50	30		GFEAHM
C#CCOc1ccc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc1Br	ZINC000002815467	570390787	/nfs/dbraw/zinc/39/07/87/570390787.db2.gz	DCSDPKBKWKZQNX-JYRVWZFOSA-N	-1	3	379.235	2.568	50	30		GFEAHM
NC1=C(c2nc3ccccc3c(=O)[n-]2)C(=O)CN1c1cccc(C(F)(F)F)c1	ZINC000011904235	570445622	/nfs/dbraw/zinc/44/56/22/570445622.db2.gz	NEVPLHFTPRULOT-UHFFFAOYSA-N	-1	3	386.333	2.659	50	30		GFEAHM
O=c1[n-]c(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(-c2ccccc2)o1	ZINC000004537852	570849632	/nfs/dbraw/zinc/84/96/32/570849632.db2.gz	DHKJEKYJIACYIK-QGZVFWFLSA-N	-1	3	375.384	2.888	50	30		GFEAHM
C=CCN1CCN(Cc2ccc(-c3nc(-c4ccncc4)cc(=O)[n-]3)cc2)CC1	ZINC000048501578	570964415	/nfs/dbraw/zinc/96/44/15/570964415.db2.gz	HEUGZROVYOQVBT-UHFFFAOYSA-N	-1	3	387.487	2.803	50	30		GFEAHM
C=CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(CC)cc1)CC(=O)N2	ZINC000046074468	571019621	/nfs/dbraw/zinc/01/96/21/571019621.db2.gz	NQJBUCJPPNDVPT-ZDUSSCGKSA-N	-1	3	384.461	2.675	50	30		GFEAHM
CCCOc1ccc(CCn2ccc3[n-]c(=O)c(C#N)cc3c2=O)cc1OC	ZINC000067756040	222157526	/nfs/dbraw/zinc/15/75/26/222157526.db2.gz	OGJYDQIRHBOPGP-UHFFFAOYSA-N	-1	3	379.416	2.602	50	30		GFEAHM
C/C(=N\N=C1/NC(=O)C[C@@H](C(=O)Nc2ccccc2)S1)c1ccc([O-])cc1	ZINC000004590259	570897459	/nfs/dbraw/zinc/89/74/59/570897459.db2.gz	GQPVDBYXNQQVEL-BFTVFPACSA-N	-1	3	382.445	2.733	50	30		GFEAHM
C=CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1C)CC(=O)N2	ZINC000046075562	571019774	/nfs/dbraw/zinc/01/97/74/571019774.db2.gz	DQPXEMBTVLXLKH-LBPRGKRZSA-N	-1	3	384.461	2.729	50	30		GFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](Cc1ncc[nH]1)c1ccccc1	ZINC000012507534	221199741	/nfs/dbraw/zinc/19/97/41/221199741.db2.gz	JDOLAZWJQGYRMG-LJQANCHMSA-N	-1	3	389.459	2.619	50	30		GFEAHM
COc1ccc(/C=N\N=C2/SC(CC(=O)[O-])C(=O)N2c2ccc(O)cc2)cc1	ZINC000013658809	221279769	/nfs/dbraw/zinc/27/97/69/221279769.db2.gz	TUXQJGHLHDZSOD-VPKNRAINSA-N	-1	3	399.428	2.714	50	30		GFEAHM
Cc1nnc(SCc2cc(=O)[n-]c(NC(=N)Nc3ccccc3C)n2)s1	ZINC000002436340	570286944	/nfs/dbraw/zinc/28/69/44/570286944.db2.gz	MTQBQWGDCJNHSO-UHFFFAOYSA-N	-1	3	387.494	2.589	50	30		GFEAHM
CCOC(=O)CSc1nnc(NN=Cc2cccc(Br)c2)[n-]1	ZINC000006046819	570464982	/nfs/dbraw/zinc/46/49/82/570464982.db2.gz	MFSULQUGKXPXBB-VIZOYTHASA-N	-1	3	384.259	2.668	50	30		GFEAHM
CCOC(=O)CSc1nnc([N-][NH+]=Cc2cccc(Br)c2)[n-]1	ZINC000006046819	570464985	/nfs/dbraw/zinc/46/49/85/570464985.db2.gz	MFSULQUGKXPXBB-VIZOYTHASA-N	-1	3	384.259	2.668	50	30		GFEAHM
C=CCNc1nnc(S[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1	ZINC000007025860	531535636	/nfs/dbraw/zinc/53/56/36/531535636.db2.gz	VPNOOJBRDVSCBI-JTQLQIEISA-N	-1	3	398.535	2.871	50	30		GFEAHM
COc1cc(C=NNc2[n-]c(=O)nnc2C)ccc1OCc1ccccc1F	ZINC000004749620	570961700	/nfs/dbraw/zinc/96/17/00/570961700.db2.gz	NXDXFUSVJHISEH-UFFVCSGVSA-N	-1	3	383.383	2.646	50	30		GFEAHM
COc1ccc(S(=O)(=O)N/N=C\c2c([O-])ccc3ccccc32)c(OC)c1	ZINC000017078812	525018052	/nfs/dbraw/zinc/01/80/52/525018052.db2.gz	UWDCMTAOUIVDJT-NDENLUEZSA-N	-1	3	386.429	2.875	50	30		GFEAHM
O=C1[N-]/C(=N\N=C/c2ccc([N+](=O)[O-])cc2)S[C@H]1Cc1ccccc1[N+](=O)[O-]	ZINC000016771348	527041910	/nfs/dbraw/zinc/04/19/10/527041910.db2.gz	KJKDCEGSGMEFMH-PACYTGELSA-N	-1	3	399.388	2.667	50	30		GFEAHM
CCOC(=O)CC/C(C)=N\N=C1\SC(CC(=O)[O-])C(=O)N1c1ccccc1	ZINC000005091642	570415434	/nfs/dbraw/zinc/41/54/34/570415434.db2.gz	GDMUZFFAUVTNPU-CAEPROQDSA-N	-1	3	391.449	2.685	50	30		GFEAHM
COc1cc(C=NNc2[n-]c(=O)nnc2C)ccc1OCc1ccccc1C	ZINC000004749825	570961598	/nfs/dbraw/zinc/96/15/98/570961598.db2.gz	XRTXIHUICXXDDE-SRZZPIQSSA-N	-1	3	379.420	2.815	50	30		GFEAHM
CCCn1c2ccccc2[nH]c1=NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000010652778	204336700	/nfs/dbraw/zinc/33/67/00/204336700.db2.gz	NIPISUHKQAUNJG-UHFFFAOYSA-N	-1	3	377.448	2.616	50	30		GFEAHM
COc1ccc(NC(=O)CSc2nc(N=NC3CCCC3)n[n-]2)c(OC)c1	ZINC000020247471	524507320	/nfs/dbraw/zinc/50/73/20/524507320.db2.gz	BTABQAFYZYBUEF-UHFFFAOYSA-N	-1	3	390.469	2.895	50	30		GFEAHM
COc1ccc(NC(=O)CSc2nnc(N=NC3CCCC3)[n-]2)c(OC)c1	ZINC000020247471	524507331	/nfs/dbraw/zinc/50/73/31/524507331.db2.gz	BTABQAFYZYBUEF-UHFFFAOYSA-N	-1	3	390.469	2.895	50	30		GFEAHM
COc1ccc(NC(=O)CSc2n[n-]c(N=NC3CCCC3)n2)c(OC)c1	ZINC000020247471	524507335	/nfs/dbraw/zinc/50/73/35/524507335.db2.gz	BTABQAFYZYBUEF-UHFFFAOYSA-N	-1	3	390.469	2.895	50	30		GFEAHM
COC(=O)c1sc([N-]C(=S)NC(=O)c2ccccc2F)c(C#N)c1C	ZINC000007039485	570758014	/nfs/dbraw/zinc/75/80/14/570758014.db2.gz	QNIQUQGTOJAQHO-UHFFFAOYSA-N	-1	3	377.422	2.981	50	30		GFEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[nH][n-]c(=O)c1[C@H]2c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000018195846	570808395	/nfs/dbraw/zinc/80/83/95/570808395.db2.gz	SIBITSPELDUQOB-AWEZNQCLSA-N	-1	3	398.375	2.953	50	30		GFEAHM
COc1ccc(/C=N\N=C2/SC(CC(=O)[O-])C(=O)N2c2ccc(O)cc2)cc1	ZINC000013154233	570749356	/nfs/dbraw/zinc/74/93/56/570749356.db2.gz	TUXQJGHLHDZSOD-MCYOPLRSSA-N	-1	3	399.428	2.714	50	30		GFEAHM
COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc([N+](=O)[O-])c1[O-]	ZINC000018195937	570808600	/nfs/dbraw/zinc/80/86/00/570808600.db2.gz	CFGHHBQMIYUNIB-HNNXBMFYSA-N	-1	3	385.380	2.559	50	30		GFEAHM
Cc1ccc([N-]/N=C(\C(=O)N2CCCC2)S(=O)(=O)c2ccccc2F)cc1	ZINC000096511627	524915447	/nfs/dbraw/zinc/91/54/47/524915447.db2.gz	ODPUPSGVOVGOAQ-RELWKKBWSA-N	-1	3	389.452	2.956	50	30		GFEAHM
C[C@H](NC(=O)CSc1nnc(NN=Cc2ccncc2)[n-]1)c1ccccc1	ZINC000020551345	570267675	/nfs/dbraw/zinc/26/76/75/570267675.db2.gz	LXZVEJPGVIRKSC-HSWQHBDASA-N	-1	3	381.465	2.615	50	30		GFEAHM
C[C@H](NC(=O)CSc1nnc([N-][NH+]=Cc2ccncc2)[n-]1)c1ccccc1	ZINC000020551345	570267677	/nfs/dbraw/zinc/26/76/77/570267677.db2.gz	LXZVEJPGVIRKSC-HSWQHBDASA-N	-1	3	381.465	2.615	50	30		GFEAHM
C=CCNC(=O)[C@H](C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1	ZINC000024976074	570304050	/nfs/dbraw/zinc/30/40/50/570304050.db2.gz	DVMRKICRROBYDA-JTQLQIEISA-N	-1	3	389.868	2.957	50	30		GFEAHM
Cc1cc(C)n(-c2nnc(C)n2/N=C/c2cc(Br)ccc2[O-])n1	ZINC000002965491	570320697	/nfs/dbraw/zinc/32/06/97/570320697.db2.gz	LKAHQMGPDKIEEJ-CAOOACKPSA-N	-1	3	375.230	2.739	50	30		GFEAHM
O=C1[N-]/C(=N\N=C/c2ccc([N+](=O)[O-])cc2)S[C@H]1Cc1cccc([N+](=O)[O-])c1	ZINC000006142062	204167626	/nfs/dbraw/zinc/16/76/26/204167626.db2.gz	LELTVBDGYLCUNU-PACYTGELSA-N	-1	3	399.388	2.667	50	30		GFEAHM
N#Cc1c2c(sc1NC(=O)c1n[n-]c([N+](=O)[O-])c1Br)CCC2	ZINC000005631113	204143426	/nfs/dbraw/zinc/14/34/26/204143426.db2.gz	XZBVNIKCIJQXDT-UHFFFAOYSA-N	-1	3	382.199	2.755	50	30		GFEAHM
N#Cc1c2c(sc1NC(=O)c1[n-]nc([N+](=O)[O-])c1Br)CCC2	ZINC000005631113	204143429	/nfs/dbraw/zinc/14/34/29/204143429.db2.gz	XZBVNIKCIJQXDT-UHFFFAOYSA-N	-1	3	382.199	2.755	50	30		GFEAHM
O=C1[N-]/C(=N/N=C/c2cccc([N+](=O)[O-])c2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1	ZINC000013476739	527041142	/nfs/dbraw/zinc/04/11/42/527041142.db2.gz	GQALVAWEMSMVOW-BFERYNQYSA-N	-1	3	399.388	2.667	50	30		GFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccnn1Cc1ccccc1	ZINC000014247482	570304358	/nfs/dbraw/zinc/30/43/58/570304358.db2.gz	RGSDLIZLXNRDCP-UHFFFAOYSA-N	-1	3	375.432	2.680	50	30		GFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCCOc1ccc(F)cc1	ZINC000012392821	570644425	/nfs/dbraw/zinc/64/44/25/570644425.db2.gz	FSTLXCIBBXKHLL-UHFFFAOYSA-N	-1	3	385.439	2.911	50	30		GFEAHM
O=C1[N-]/C(=N/N=C/c2ccc([N+](=O)[O-])cc2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1	ZINC000012843829	570724049	/nfs/dbraw/zinc/72/40/49/570724049.db2.gz	LELTVBDGYLCUNU-BFERYNQYSA-N	-1	3	399.388	2.667	50	30		GFEAHM
NC1=C(c2nc3ccccc3c(=O)[n-]2)C(=O)CN1c1ccc(Cl)c(Cl)c1	ZINC000000939950	570731088	/nfs/dbraw/zinc/73/10/88/570731088.db2.gz	MJZIYJKSEJOEJF-UHFFFAOYSA-N	-1	3	387.226	2.947	50	30		GFEAHM
O=c1[n-]c(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(-c2ccccc2)o1	ZINC000004537850	570849568	/nfs/dbraw/zinc/84/95/68/570849568.db2.gz	DHKJEKYJIACYIK-KRWDZBQOSA-N	-1	3	375.384	2.888	50	30		GFEAHM
COc1cccc(CNN2[C@H](c3cccc(OC(C)C)c3)NN[C@@H]2[S-])c1O	ZINC000019170968	570959443	/nfs/dbraw/zinc/95/94/43/570959443.db2.gz	FLAJBMJLQUFRKR-MOPGFXCFSA-N	-1	3	390.509	2.515	50	30		GFEAHM
Cc1nn(C)c(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CCC3)c1Cl	ZINC000002797206	654438539	/nfs/dbraw/zinc/43/85/39/654438539.db2.gz	ZRDKJSXFXXLSFH-UHFFFAOYSA-N	-1	3	379.898	2.931	50	30		GFEAHM
COc1ccc(/C=N/N=C2/SC(CC(=O)[O-])C(=O)N2c2ccc(O)cc2)cc1	ZINC000005101373	204111398	/nfs/dbraw/zinc/11/13/98/204111398.db2.gz	TUXQJGHLHDZSOD-TVQRBVHCSA-N	-1	3	399.428	2.714	50	30		GFEAHM
CCOc1cc(/C=N\NS(=O)(=O)c2ccccc2)cc(Br)c1[O-]	ZINC000032573591	520646206	/nfs/dbraw/zinc/64/62/06/520646206.db2.gz	IWMOUPMVFPUCRZ-YVLHZVERSA-N	-1	3	399.266	2.866	50	30		GFEAHM
CCOC(=O)C1=C(C)N[C@]([N-]c2nc3ccccc3s2)(C(F)(F)F)C1=O	ZINC000100999825	570785635	/nfs/dbraw/zinc/78/56/35/570785635.db2.gz	AOZZGOHITMSTFR-OAHLLOKOSA-N	-1	3	385.367	2.976	50	30		GFEAHM
[O-]c1ccc(Cl)cc1C=NN=c1nc(N2CCCC2)[nH]c(N2CCCC2)n1	ZINC000004477997	204046982	/nfs/dbraw/zinc/04/69/82/204046982.db2.gz	IIYCJICZIDGCOM-UDWIEESQSA-N	-1	3	387.875	2.877	50	30		GFEAHM
[O-]c1ccc(Cl)cc1CN=Nc1nc(N2CCCC2)nc(N2CCCC2)n1	ZINC000004477997	204046990	/nfs/dbraw/zinc/04/69/90/204046990.db2.gz	IIYCJICZIDGCOM-UDWIEESQSA-N	-1	3	387.875	2.877	50	30		GFEAHM
O=c1[nH]c2ccccc2c(=O)n1N=Cc1c2c(ccc1[O-])oc1c2CCCC1	ZINC000013551309	527445277	/nfs/dbraw/zinc/44/52/77/527445277.db2.gz	ARJZBUAUVZFYQP-SSDVNMTOSA-N	-1	3	375.384	2.903	50	30		GFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1noc(-c2ccsc2)n1	ZINC000025607166	570794054	/nfs/dbraw/zinc/79/40/54/570794054.db2.gz	ZWTRWMLEMNPWDF-UHFFFAOYSA-N	-1	3	384.417	2.651	50	30		GFEAHM
C#CCOc1ccc(Br)cc1/C=C1\SC([N-]C(C)=O)=NC1=O	ZINC000004548904	570859841	/nfs/dbraw/zinc/85/98/41/570859841.db2.gz	WKHUZBNZQJTVLA-JYRVWZFOSA-N	-1	3	379.235	2.568	50	30		GFEAHM
COC(=O)[C@]([O-])(c1ccc(N(C)C(=O)O/N=C(\C)Cl)cc1)C(F)(F)F	ZINC000100274280	524007118	/nfs/dbraw/zinc/00/71/18/524007118.db2.gz	DBWBCXKDTBZQQT-KMDAILJESA-N	-1	3	382.722	2.755	50	30		GFEAHM
O=C1CCCC2=C1[C@H](c1ccccc1C(F)(F)F)c1c(=O)[n-]c(=O)[nH]c1N2	ZINC000000921408	570726003	/nfs/dbraw/zinc/72/60/03/570726003.db2.gz	NBLSGZBSOOILHO-LBPRGKRZSA-N	-1	3	377.322	2.647	50	30		GFEAHM
COc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc(OC)c1OC	ZINC000012544778	570846272	/nfs/dbraw/zinc/84/62/72/570846272.db2.gz	HWQIFBLDRUMUPA-UHFFFAOYSA-N	-1	3	380.422	2.720	50	30		GFEAHM
O=C1CCCC2=C1[C@H](c1ccc(Cl)c(Cl)c1)c1c(=O)[n-]c(=O)[nH]c1N2	ZINC000004948934	204096031	/nfs/dbraw/zinc/09/60/31/204096031.db2.gz	LBUROOZUZDUCLS-LBPRGKRZSA-N	-1	3	378.215	2.935	50	30		GFEAHM
Cc1c(NC(=S)NN=Cc2ccccc2[O-])c(=O)n(-c2ccccc2)n1C	ZINC000008684011	204283412	/nfs/dbraw/zinc/28/34/12/204283412.db2.gz	OAGNFKCWXVXZJD-UDWIEESQSA-N	-1	3	381.461	2.511	50	30		GFEAHM
C#C[C@@](C)(CC)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl	ZINC000004751422	206185043	/nfs/dbraw/zinc/18/50/43/206185043.db2.gz	RTWQXGGJRYSRML-INIZCTEOSA-N	-1	3	389.304	2.966	50	30		GFEAHM
COc1ccc(C(=O)[N-]c2sc(C(=O)N(C)C)c(C)c2C#N)cc1[N+](=O)[O-]	ZINC000002102372	570834244	/nfs/dbraw/zinc/83/42/44/570834244.db2.gz	RXYWSDSGYSDMPQ-UHFFFAOYSA-N	-1	3	388.405	2.799	50	30		GFEAHM
N#Cc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(F)c1	ZINC000025067133	207300413	/nfs/dbraw/zinc/30/04/13/207300413.db2.gz	WHCKQZWWCSZOCY-UHFFFAOYSA-N	-1	3	379.482	2.702	50	30		GFEAHM
C[C@H](CCNC(=O)c1cccc(-c2cc(C#N)ccc2[O-])c1)N1CCOCC1	ZINC000426515523	533938357	/nfs/dbraw/zinc/93/83/57/533938357.db2.gz	LMAXBNVKPOHELE-MRXNPFEDSA-N	-1	3	379.460	2.771	50	30		GFEAHM
CN(Cc1nc(-c2ccncc2)no1)C(=O)Nc1n[n-]c(-c2ccccc2F)n1	ZINC000023430439	570362459	/nfs/dbraw/zinc/36/24/59/570362459.db2.gz	JNFNBTGHJVPPIL-UHFFFAOYSA-N	-1	3	394.370	2.733	50	30		GFEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[nH][n-]c(=O)c1[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000018195845	207095486	/nfs/dbraw/zinc/09/54/86/207095486.db2.gz	SIBITSPELDUQOB-CQSZACIVSA-N	-1	3	398.375	2.953	50	30		GFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](c1ccco1)N1CCCCC1	ZINC000032819064	207410262	/nfs/dbraw/zinc/41/02/62/207410262.db2.gz	QBRNVEKKJUPSOT-IBGZPJMESA-N	-1	3	396.491	2.732	50	30		GFEAHM
N#Cc1ccc(F)c(CS(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCC2)c1	ZINC000089794437	208109465	/nfs/dbraw/zinc/10/94/65/208109465.db2.gz	FALXLIRUDYLEGE-QGZVFWFLSA-N	-1	3	377.441	2.547	50	30		GFEAHM
C#C[C@](C)(CC)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl	ZINC000004751421	209081652	/nfs/dbraw/zinc/08/16/52/209081652.db2.gz	RTWQXGGJRYSRML-MRXNPFEDSA-N	-1	3	389.304	2.966	50	30		GFEAHM
COc1ccc(/C=N/N=C2\SC(CC(=O)[O-])C(=O)N2c2ccc(O)cc2)cc1	ZINC000001191237	570792411	/nfs/dbraw/zinc/79/24/11/570792411.db2.gz	TUXQJGHLHDZSOD-TUDXGXLOSA-N	-1	3	399.428	2.714	50	30		GFEAHM
C=CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(Cl)c1)CC(=O)N2	ZINC000046074416	571019825	/nfs/dbraw/zinc/01/98/25/571019825.db2.gz	PILATRXFEAFGPD-NSHDSACASA-N	-1	3	390.852	2.766	50	30		GFEAHM
CCOc1cc(C(=O)CCC(=O)OCC(=O)Nc2ccc(C#N)cc2)ccc1[O-]	ZINC000006547741	520653579	/nfs/dbraw/zinc/65/35/79/520653579.db2.gz	FEJXOAICBKCSHW-UHFFFAOYSA-N	-1	3	396.399	2.807	50	30		GFEAHM
Cc1nnc(-c2ccccc2)c(=O)n1/N=C/c1cc(Br)ccc1[O-]	ZINC000028114246	526320349	/nfs/dbraw/zinc/32/03/49/526320349.db2.gz	FUBCYQKCTYQHMK-VXLYETTFSA-N	-1	3	385.221	2.964	50	30		GFEAHM
O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1nnc(C(F)(F)F)[n-]1	ZINC000095478280	518203324	/nfs/dbraw/zinc/20/33/24/518203324.db2.gz	JOWRGMKNWXHVPZ-UHFFFAOYSA-N	-1	3	398.732	2.989	50	30		GFEAHM
O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1nc(C(F)(F)F)n[n-]1	ZINC000095478280	518203325	/nfs/dbraw/zinc/20/33/25/518203325.db2.gz	JOWRGMKNWXHVPZ-UHFFFAOYSA-N	-1	3	398.732	2.989	50	30		GFEAHM
O=C1[N-]/C(=N\N=C\c2ccc([N+](=O)[O-])cc2)S[C@H]1Cc1ccccc1[N+](=O)[O-]	ZINC000009034285	570546976	/nfs/dbraw/zinc/54/69/76/570546976.db2.gz	KJKDCEGSGMEFMH-ZNBBLSJYSA-N	-1	3	399.388	2.667	50	30		GFEAHM
O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)c1c(=O)[n-]c(=O)[nH]c1N2	ZINC000001306420	206371229	/nfs/dbraw/zinc/37/12/29/206371229.db2.gz	HHKMKWVHHTUBRM-CYBMUJFWSA-N	-1	3	377.787	2.882	50	30		GFEAHM
O=c1[n-]c(=O)c2c([nH]1)NC1=C(C(=O)C[C@H](c3ccco3)C1)[C@@H]2c1ccc(F)cc1	ZINC000018199539	207095194	/nfs/dbraw/zinc/09/51/94/207095194.db2.gz	DCOSVRILDKMGGI-BZNIZROVSA-N	-1	3	393.374	2.754	50	30		GFEAHM
CCOc1ccc([C@H]2C3=C(Nc4[nH]c(=O)[n-]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000018201190	207095776	/nfs/dbraw/zinc/09/57/76/207095776.db2.gz	XZVULQSOIMFNEU-HNNXBMFYSA-N	-1	3	387.395	2.627	50	30		GFEAHM
O=C1[N-]/C(=N/N=C/c2ccc([N+](=O)[O-])cc2)S[C@H]1Cc1cccc([N+](=O)[O-])c1	ZINC000012843833	570723914	/nfs/dbraw/zinc/72/39/14/570723914.db2.gz	LELTVBDGYLCUNU-ZNBBLSJYSA-N	-1	3	399.388	2.667	50	30		GFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](c1ccco1)N1CCCCC1	ZINC000032819063	570841120	/nfs/dbraw/zinc/84/11/20/570841120.db2.gz	QBRNVEKKJUPSOT-LJQANCHMSA-N	-1	3	396.491	2.732	50	30		GFEAHM
Cn1c(=O)cc(Oc2ccccc2N=Cc2cc(Cl)ccc2[O-])n(C)c1=O	ZINC000252600968	571005055	/nfs/dbraw/zinc/00/50/55/571005055.db2.gz	DWLFXRAPXKEDFS-UHFFFAOYSA-N	-1	3	385.807	2.986	50	30		GFEAHM
Cc1c(C#N)c(=O)[n-]cc1C(=O)N(C)CC1CCN(Cc2ccccc2)CC1	ZINC000077287835	208037422	/nfs/dbraw/zinc/03/74/22/208037422.db2.gz	GEGNKRGZPBABPL-UHFFFAOYSA-N	-1	3	378.476	2.952	50	30		GFEAHM
COc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc(OC)c1[O-]	ZINC000096792398	533480794	/nfs/dbraw/zinc/48/07/94/533480794.db2.gz	WCLKOWUQSFEZBQ-YHYXMXQVSA-N	-1	3	391.445	2.556	50	30		GFEAHM
C=CCNC(=S)NN=c1nc(N2CCCCC2)nc(Nc2ccccc2)[n-]1	ZINC000004477841	518950359	/nfs/dbraw/zinc/95/03/59/518950359.db2.gz	PQIRGFDPVWGRRH-UHFFFAOYSA-N	-1	3	384.513	2.583	50	30		GFEAHM
Cc1c(NC(=S)NN=Cc2ccccc2[O-])c(=O)n(-c2ccccc2)n1C	ZINC000252622678	570479372	/nfs/dbraw/zinc/47/93/72/570479372.db2.gz	OAGNFKCWXVXZJD-UHFFFAOYSA-N	-1	3	381.461	2.511	50	30		GFEAHM
Cc1ccc(NC(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C	ZINC000006650482	570517043	/nfs/dbraw/zinc/51/70/43/570517043.db2.gz	SIEYGETXNIVTRL-UHFFFAOYSA-N	-1	3	381.432	2.595	50	30		GFEAHM
Cc1nc(C)c(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c(=O)[n-]1	ZINC000012749142	570995183	/nfs/dbraw/zinc/99/51/83/570995183.db2.gz	ZNRSPLCUZAXIJM-UHFFFAOYSA-N	-1	3	393.472	2.877	50	30		GFEAHM
C=CCn1c(C)nnc1S[C@@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000007026449	519174139	/nfs/dbraw/zinc/17/41/39/519174139.db2.gz	DVAMEULVNQVYKC-NSHDSACASA-N	-1	3	380.495	2.508	50	30		GFEAHM
COc1cc(C=NNc2cnnc(=O)[n-]2)ccc1OCc1cccc(Cl)c1	ZINC000004749621	570961695	/nfs/dbraw/zinc/96/16/95/570961695.db2.gz	NTIQHCIMJKCNCC-AWQFTUOYSA-N	-1	3	385.811	2.852	50	30		GFEAHM
C=CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1Cl)CC(=O)N2	ZINC000046074411	571019576	/nfs/dbraw/zinc/01/95/76/571019576.db2.gz	YFAWZWUFGWYJJS-VIFPVBQESA-N	-1	3	390.852	2.766	50	30		GFEAHM
CC(C(=O)[N-]S(=O)(=O)C=Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1	ZINC000054426975	525918307	/nfs/dbraw/zinc/91/83/07/525918307.db2.gz	MZBQTWWJFAYMKJ-XZHRJIJLSA-N	-1	3	397.449	2.945	50	30		GFEAHM
O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)c1c(=O)[n-]c(=O)[nH]c1N2	ZINC000018106788	527132831	/nfs/dbraw/zinc/13/28/31/527132831.db2.gz	HHKMKWVHHTUBRM-ZDUSSCGKSA-N	-1	3	377.787	2.882	50	30		GFEAHM
COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc2nc3ccccc3n2cc1C#N	ZINC000005318713	570551919	/nfs/dbraw/zinc/55/19/19/570551919.db2.gz	DNVOUTWKNAUUKG-UHFFFAOYSA-N	-1	3	388.343	2.923	50	30		GFEAHM
COc1cc(C=NNc2nc([O-])cs2)ccc1OC(=O)c1ccccc1C	ZINC000020034880	521989310	/nfs/dbraw/zinc/98/93/10/521989310.db2.gz	KRTZWYFEPMKHPZ-KEBDBYFISA-N	-1	3	383.429	2.776	50	30		GFEAHM
Cc1cc(C)n(C[N-]c2nonc2/C(N)=N/OCc2c(F)cccc2Cl)n1	ZINC000004580202	524530652	/nfs/dbraw/zinc/53/06/52/524530652.db2.gz	FUKHQVIHJFZTKN-UHFFFAOYSA-N	-1	3	393.810	2.582	50	30		GFEAHM
Cc1c(C=N[N-]c2nnc3c4ccccc4[nH]c3n2)c(=O)n(-c2ccccc2)n1C	ZINC000015015369	525519118	/nfs/dbraw/zinc/51/91/18/525519118.db2.gz	LYFYQJKFQLIOJR-WSDLNYQXSA-N	-1	3	398.430	2.750	50	30		GFEAHM
COc1ccc(S(=O)(=O)N/N=C(\C)c2cc(Cl)ccc2[O-])c(OC)c1	ZINC000017078623	525016125	/nfs/dbraw/zinc/01/61/25/525016125.db2.gz	CUYCIHPHYSFYRB-VCHYOVAHSA-N	-1	3	384.841	2.765	50	30		GFEAHM
CSc1ccc([C@H]2c3c(=O)[n-]c(=O)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004384702	570372529	/nfs/dbraw/zinc/37/25/29/570372529.db2.gz	NJXSGHJBKLPELN-CQSZACIVSA-N	-1	3	383.473	2.986	50	30		GFEAHM
Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])N1CCN(c2ncccc2C#N)CC1	ZINC000032103206	570960214	/nfs/dbraw/zinc/96/02/14/570960214.db2.gz	ZJFWWEYTUMPZSS-LJQANCHMSA-N	-1	3	375.432	2.691	50	30		GFEAHM
C=CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(CC)cc1)CC(=O)N2	ZINC000046074465	571019813	/nfs/dbraw/zinc/01/98/13/571019813.db2.gz	NQJBUCJPPNDVPT-CYBMUJFWSA-N	-1	3	384.461	2.675	50	30		GFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnc2c(cnn2C(C)C)c1	ZINC000014239895	210111608	/nfs/dbraw/zinc/11/16/08/210111608.db2.gz	FKEMQRFDQOIWGH-UHFFFAOYSA-N	-1	3	378.436	2.760	50	30		GFEAHM
C=CCOc1ccc(C2=NOC3=C([O-])N(c4ccccc4)C(=O)[C@@H]23)cc1OC	ZINC000101306605	519030541	/nfs/dbraw/zinc/03/05/41/519030541.db2.gz	RLVJYGUWIIGPPJ-PKOBYXMFSA-N	-1	3	378.384	2.553	50	30		GFEAHM
CSc1ccc([C@H]2C3=C(Nc4[nH]c(=O)[n-]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000018201246	210217138	/nfs/dbraw/zinc/21/71/38/210217138.db2.gz	WIUJBIYBNNKNJC-AWEZNQCLSA-N	-1	3	389.436	2.950	50	30		GFEAHM
O=c1[n-]c(=O)c2c([nH]1)NC1=C(C(=O)C[C@@H](c3ccco3)C1)[C@H]2c1ccc(F)cc1	ZINC000018199541	210216856	/nfs/dbraw/zinc/21/68/56/210216856.db2.gz	DCOSVRILDKMGGI-MEDUHNTESA-N	-1	3	393.374	2.754	50	30		GFEAHM
CN(C)c1ccc(/N=C2\C=C(N3CCOCC3)C(=O)c3cccc([O-])c32)cc1	ZINC000002218681	209351733	/nfs/dbraw/zinc/35/17/33/209351733.db2.gz	CHHKSYHMWZGNHI-PTGBLXJZSA-N	-1	3	377.444	2.991	50	30		GFEAHM
O=C1[N-]/C(=N\N=C/c2ccc([N+](=O)[O-])cc2)S[C@@H]1Cc1ccccc1[N+](=O)[O-]	ZINC000016771346	527041951	/nfs/dbraw/zinc/04/19/51/527041951.db2.gz	KJKDCEGSGMEFMH-YQYFLZKSSA-N	-1	3	399.388	2.667	50	30		GFEAHM
CCSc1nnc([N-]C(=O)c2sc3nc(N)c(C#N)cc3c2N)s1	ZINC000215762680	553052956	/nfs/dbraw/zinc/05/29/56/553052956.db2.gz	DZDPYSMPNFSJDX-UHFFFAOYSA-N	-1	3	377.480	2.548	50	30		GFEAHM
[O-]c1ccc(Br)cc1C=NN1C(=S)N=NC1c1ccncc1	ZINC000001303459	570260465	/nfs/dbraw/zinc/26/04/65/570260465.db2.gz	SILCHRQNFWBRQQ-CAOOACKPSA-N	-1	3	376.239	2.979	50	30		GFEAHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1F	ZINC000029052483	570310379	/nfs/dbraw/zinc/31/03/79/570310379.db2.gz	IRRAQBVQWXZAIX-UHFFFAOYSA-N	-1	3	376.409	2.745	50	30		GFEAHM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2[O-])[C@@H]1c1ccccc1F	ZINC000020309246	210326881	/nfs/dbraw/zinc/32/68/81/210326881.db2.gz	PGVHCOAQTBNYGY-SFHVURJKSA-N	-1	3	384.407	2.671	50	30		GFEAHM
N#Cc1cc(F)c(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(F)c1	ZINC000084442248	136174818	/nfs/dbraw/zinc/17/48/18/136174818.db2.gz	ZDMVDOXCUKMAGM-UHFFFAOYSA-N	-1	3	383.445	2.845	50	30		GFEAHM
C=CCOCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1	ZINC000095468422	518982177	/nfs/dbraw/zinc/98/21/77/518982177.db2.gz	WFLWTXYZAUMAPO-UHFFFAOYSA-N	-1	3	378.425	2.559	50	30		GFEAHM
CC(C(=O)[N-]S(=O)(=O)C=Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1	ZINC000054426972	525917940	/nfs/dbraw/zinc/91/79/40/525917940.db2.gz	MZBQTWWJFAYMKJ-YLGBQOPLSA-N	-1	3	397.449	2.945	50	30		GFEAHM
COc1ccc(/C=N/N=C2/SC(CC(=O)[O-])C(=O)N2c2ccc(O)cc2)cc1	ZINC000005101371	570429270	/nfs/dbraw/zinc/42/92/70/570429270.db2.gz	TUXQJGHLHDZSOD-SYQVOFSZSA-N	-1	3	399.428	2.714	50	30		GFEAHM
O=c1[n-]c(=O)c2c([nH]1)NC1=C(C(=O)C[C@@H](c3ccco3)C1)[C@@H]2c1ccc(F)cc1	ZINC000018199543	210216559	/nfs/dbraw/zinc/21/65/59/210216559.db2.gz	DCOSVRILDKMGGI-ZBEGNZNMSA-N	-1	3	393.374	2.754	50	30		GFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCOc1ccc(Cl)cc1	ZINC000007986119	209756411	/nfs/dbraw/zinc/75/64/11/209756411.db2.gz	RDDSDNLWAWLGLT-UHFFFAOYSA-N	-1	3	387.867	2.987	50	30		GFEAHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1Cl	ZINC000024926322	518954656	/nfs/dbraw/zinc/95/46/56/518954656.db2.gz	HDCZONSLMJCHKY-UHFFFAOYSA-N	-1	3	390.852	2.933	50	30		GFEAHM
C=CCn1cc(-c2c(-c3ccccc3)ncn2CCc2nc(N)cc(=O)[n-]2)cn1	ZINC000065530446	519274127	/nfs/dbraw/zinc/27/41/27/519274127.db2.gz	BUGQLUMHOSRLHQ-UHFFFAOYSA-N	-1	3	387.447	2.508	50	30		GFEAHM
CCN(CCNS(C)(=O)=O)c1ccc(/N=C/c2ccccc2[O-])c(C)c1	ZINC000003082533	521079399	/nfs/dbraw/zinc/07/93/99/521079399.db2.gz	NZPHVGYBVHDXQQ-XSFVSMFZSA-N	-1	3	375.494	2.827	50	30		GFEAHM
O=C(CSc1nnc(NN=Cc2ccc(Cl)cc2)[n-]1)NCc1ccco1	ZINC000020479683	527049521	/nfs/dbraw/zinc/04/95/21/527049521.db2.gz	DRDNDWSPSJZGHG-UFWORHAWSA-N	-1	3	390.856	2.906	50	30		GFEAHM
O=C(CSc1nnc([N-][NH+]=Cc2ccc(Cl)cc2)[n-]1)NCc1ccco1	ZINC000020479683	527049527	/nfs/dbraw/zinc/04/95/27/527049527.db2.gz	DRDNDWSPSJZGHG-UFWORHAWSA-N	-1	3	390.856	2.906	50	30		GFEAHM
C=CCNC(=O)[C@@H](C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1	ZINC000024976064	570303743	/nfs/dbraw/zinc/30/37/43/570303743.db2.gz	DVMRKICRROBYDA-SNVBAGLBSA-N	-1	3	389.868	2.957	50	30		GFEAHM
COc1ccccc1-c1nc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n[n-]1	ZINC000042370161	570466597	/nfs/dbraw/zinc/46/65/97/570466597.db2.gz	ORBVMXAJNDERIS-GFCCVEGCSA-N	-1	3	381.392	2.710	50	30		GFEAHM
COC(=O)c1cccc2nc(NC(=O)C=Cc3ccc(OCC#N)cc3)[n-]c21	ZINC000098053058	522250248	/nfs/dbraw/zinc/25/02/48/522250248.db2.gz	GODIPROGUUJLLH-YFHOEESVSA-N	-1	3	376.372	2.904	50	30		GFEAHM
COC(=O)c1cccc2[n-]c(NC(=O)C=Cc3ccc(OCC#N)cc3)nc21	ZINC000098053058	522250255	/nfs/dbraw/zinc/25/02/55/522250255.db2.gz	GODIPROGUUJLLH-YFHOEESVSA-N	-1	3	376.372	2.904	50	30		GFEAHM
Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])N1CCN(c2ncccc2C#N)CC1	ZINC000032103208	570960132	/nfs/dbraw/zinc/96/01/32/570960132.db2.gz	ZJFWWEYTUMPZSS-IBGZPJMESA-N	-1	3	375.432	2.691	50	30		GFEAHM
O=C1[N-]/C(=N/N=C/c2cccc([N+](=O)[O-])c2)S[C@H]1Cc1cccc([N+](=O)[O-])c1	ZINC000013476741	527040823	/nfs/dbraw/zinc/04/08/23/527040823.db2.gz	GQALVAWEMSMVOW-ZNBBLSJYSA-N	-1	3	399.388	2.667	50	30		GFEAHM
C=CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1C)CC(=O)N2	ZINC000046075559	571019727	/nfs/dbraw/zinc/01/97/27/571019727.db2.gz	DQPXEMBTVLXLKH-GFCCVEGCSA-N	-1	3	384.461	2.729	50	30		GFEAHM
O=S(=O)([N-]CC#CCN1CCc2ccccc2C1)c1ccc(Cl)s1	ZINC000077197670	655004349	/nfs/dbraw/zinc/00/43/49/655004349.db2.gz	ANCJSOCJVHGPFM-UHFFFAOYSA-N	-1	3	380.922	2.742	50	30		GFEAHM
C=CCNC(=O)c1c(N)n(/N=C/c2cccc([O-])c2)c2nc3ccccc3nc21	ZINC000001884956	212259073	/nfs/dbraw/zinc/25/90/73/212259073.db2.gz	KCVWYKXZWONKLH-WYMPLXKRSA-N	-1	3	386.415	2.670	50	30		GFEAHM
CCOc1cc(C(=O)CCC(=O)OCC(=O)Nc2cccc(C#N)c2)ccc1[O-]	ZINC000006547737	520652823	/nfs/dbraw/zinc/65/28/23/520652823.db2.gz	BIHQDWVONQGYAL-UHFFFAOYSA-N	-1	3	396.399	2.807	50	30		GFEAHM
COC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)O/N=C(\C)Cl)cc1)C(F)(F)F	ZINC000100274276	523827275	/nfs/dbraw/zinc/82/72/75/523827275.db2.gz	DBWBCXKDTBZQQT-UJHWAJGWSA-N	-1	3	382.722	2.755	50	30		GFEAHM
CC(=O)Nc1cc(C)nn1-c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000032833562	570845529	/nfs/dbraw/zinc/84/55/29/570845529.db2.gz	RKCWSVTWCQECER-UHFFFAOYSA-N	-1	3	395.444	2.812	50	30		GFEAHM
N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Br)OCCO3)cc1	ZINC000016120852	221357679	/nfs/dbraw/zinc/35/76/79/221357679.db2.gz	WGZGDNVHVPOIPK-UHFFFAOYSA-N	-1	3	395.234	2.893	50	30		GFEAHM
O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)c1c(=O)[n-]c(=O)[nH]c1N2	ZINC000018199451	221389795	/nfs/dbraw/zinc/38/97/95/221389795.db2.gz	UWBMZTGBZNUIAN-LLVKDONJSA-N	-1	3	378.215	2.935	50	30		GFEAHM
C=CCOc1ccc(C2=NOC3=C([O-])N(c4ccccc4)C(=O)[C@@H]23)cc1OC	ZINC000101306609	519030354	/nfs/dbraw/zinc/03/03/54/519030354.db2.gz	RLVJYGUWIIGPPJ-HKUYNNGSSA-N	-1	3	378.384	2.553	50	30		GFEAHM
N#Cc1ccccc1S(=O)(=O)NN=c1[n-]cc(C(F)(F)F)cc1Cl	ZINC000012818419	221235950	/nfs/dbraw/zinc/23/59/50/221235950.db2.gz	MBMLWUVMJSVVCI-UHFFFAOYSA-N	-1	3	376.747	2.931	50	30		GFEAHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)OCc1ccccc1C#N	ZINC000015342205	221334834	/nfs/dbraw/zinc/33/48/34/221334834.db2.gz	CTCVCTWBYKTRSY-SFHVURJKSA-N	-1	3	390.436	2.744	50	30		GFEAHM
COc1cccc(C=NNc2[n-]c(=O)nnc2C)c1OCCc1ccccc1	ZINC000004422768	525772421	/nfs/dbraw/zinc/77/24/21/525772421.db2.gz	VGVFWDPLIOWRKF-FYJGNVAPSA-N	-1	3	379.420	2.549	50	30		GFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1	ZINC000012547217	570848371	/nfs/dbraw/zinc/84/83/71/570848371.db2.gz	LFYVXRCOQIMEKP-HNNXBMFYSA-N	-1	3	389.459	2.859	50	30		GFEAHM
N#Cc1ccc(F)c(CS(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCC2)c1	ZINC000089794438	570914237	/nfs/dbraw/zinc/91/42/37/570914237.db2.gz	FALXLIRUDYLEGE-KRWDZBQOSA-N	-1	3	377.441	2.547	50	30		GFEAHM
C=CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2	ZINC000046074473	571019836	/nfs/dbraw/zinc/01/98/36/571019836.db2.gz	KSKRPFRSRTYZHH-ZDUSSCGKSA-N	-1	3	384.461	2.729	50	30		GFEAHM
C=CCSc1nnc([N-]C(=O)c2sc3nc(N)c(C#N)cc3c2N)s1	ZINC000104556341	571046330	/nfs/dbraw/zinc/04/63/30/571046330.db2.gz	GRSCGOMDCNAIAL-UHFFFAOYSA-N	-1	3	389.491	2.714	50	30		GFEAHM
N#Cc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1	ZINC000013011911	221258081	/nfs/dbraw/zinc/25/80/81/221258081.db2.gz	MEPYXWBLCPSECU-UHFFFAOYSA-N	-1	3	379.416	2.520	50	30		GFEAHM
C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccccc1[O-]	ZINC000009295404	519226856	/nfs/dbraw/zinc/22/68/56/519226856.db2.gz	MFEHXWTUQAGQPE-UHFFFAOYSA-N	-1	3	388.478	2.727	50	30		GFEAHM
O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC000048288717	570228335	/nfs/dbraw/zinc/22/83/35/570228335.db2.gz	MQGICCABCXGWTP-OAHLLOKOSA-N	-1	3	378.392	2.621	50	30		GFEAHM
O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC000048288717	570228340	/nfs/dbraw/zinc/22/83/40/570228340.db2.gz	MQGICCABCXGWTP-OAHLLOKOSA-N	-1	3	378.392	2.621	50	30		GFEAHM
O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC000048288717	570228343	/nfs/dbraw/zinc/22/83/43/570228343.db2.gz	MQGICCABCXGWTP-OAHLLOKOSA-N	-1	3	378.392	2.621	50	30		GFEAHM
O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC000048288715	570228568	/nfs/dbraw/zinc/22/85/68/570228568.db2.gz	MQGICCABCXGWTP-HNNXBMFYSA-N	-1	3	378.392	2.621	50	30		GFEAHM
O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC000048288715	570228570	/nfs/dbraw/zinc/22/85/70/570228570.db2.gz	MQGICCABCXGWTP-HNNXBMFYSA-N	-1	3	378.392	2.621	50	30		GFEAHM
O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC000048288715	570228572	/nfs/dbraw/zinc/22/85/72/570228572.db2.gz	MQGICCABCXGWTP-HNNXBMFYSA-N	-1	3	378.392	2.621	50	30		GFEAHM
C#CCN1C(=O)S/C(=C/c2ccc([O-])c(I)c2)C1=O	ZINC000012342661	570236703	/nfs/dbraw/zinc/23/67/03/570236703.db2.gz	LIQKJGAQGGXXOI-YRNVUSSQSA-N	-1	3	385.182	2.666	50	30		GFEAHM
C=CCNC(=O)c1c(N)n(/N=C/c2ccccc2[O-])c2nc3ccccc3nc21	ZINC000002394779	570285887	/nfs/dbraw/zinc/28/58/87/570285887.db2.gz	YQVNVALPNPMBFI-WYMPLXKRSA-N	-1	3	386.415	2.670	50	30		GFEAHM
C=CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1	ZINC000002869164	570401579	/nfs/dbraw/zinc/40/15/79/570401579.db2.gz	CRZMYNJXRJKOSZ-UHFFFAOYSA-N	-1	3	390.461	2.567	50	30		GFEAHM
Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N[O-])Cc2ccccc2F)c(C)c1	ZINC000020665166	570794953	/nfs/dbraw/zinc/79/49/53/570794953.db2.gz	FNLNMDDOAFAOFU-UHFFFAOYSA-N	-1	3	394.468	2.837	50	30		GFEAHM
C=CCOc1ccc(C2=NOC3=C([O-])N(c4ccccc4)C(=O)[C@H]23)cc1OC	ZINC000101306600	519029544	/nfs/dbraw/zinc/02/95/44/519029544.db2.gz	RLVJYGUWIIGPPJ-IEBWSBKVSA-N	-1	3	378.384	2.553	50	30		GFEAHM
Cc1cc(C)c(C#N)c(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)n1	ZINC000030676416	551128572	/nfs/dbraw/zinc/12/85/72/551128572.db2.gz	JXSXLYRSASKLLV-UHFFFAOYSA-N	-1	3	376.507	2.579	50	30		GFEAHM
CCOC(=O)c1c2c(sc1NC(=O)CN1CCCCC1)/C(=N\[O-])CCC2	ZINC000004866116	570351358	/nfs/dbraw/zinc/35/13/58/570351358.db2.gz	OJDYZPFJDKLRFZ-MOSHPQCFSA-N	-1	3	379.482	2.864	50	30		GFEAHM
COc1ccc(CCN2C=C([O-])C(c3nc4ccc(C)cc4[nH]3)C2=N)cc1OC	ZINC000036077514	570528577	/nfs/dbraw/zinc/52/85/77/570528577.db2.gz	JZGHXWKWEBWVDC-UHFFFAOYSA-N	-1	3	392.459	2.643	50	30		GFEAHM
N#Cc1ccc(F)c(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1	ZINC000032865331	570862533	/nfs/dbraw/zinc/86/25/33/570862533.db2.gz	WRGQUOXPEISXMB-UHFFFAOYSA-N	-1	3	379.482	2.702	50	30		GFEAHM
C=CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1Cl)CC(=O)N2	ZINC000046074414	571019868	/nfs/dbraw/zinc/01/98/68/571019868.db2.gz	YFAWZWUFGWYJJS-SECBINFHSA-N	-1	3	390.852	2.766	50	30		GFEAHM
O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)c1c(=O)[n-]c(=O)[nH]c1N2	ZINC000018199455	221389850	/nfs/dbraw/zinc/38/98/50/221389850.db2.gz	RVRIHIYYXOHDMV-GFCCVEGCSA-N	-1	3	378.215	2.935	50	30		GFEAHM
CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)Cn2nc(C(F)F)cc2C(F)F)N1	ZINC000004652285	570389773	/nfs/dbraw/zinc/38/97/73/570389773.db2.gz	QRUWYUNGKPVHDH-NSHDSACASA-N	-1	3	376.232	2.617	50	30		GFEAHM
O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1nnc(-c2ccccn2)[n-]1	ZINC000058193064	570717884	/nfs/dbraw/zinc/71/78/84/570717884.db2.gz	RIQGMHDABSAULC-UHFFFAOYSA-N	-1	3	379.376	2.889	50	30		GFEAHM
O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1nc(-c2ccccn2)n[n-]1	ZINC000058193064	570717886	/nfs/dbraw/zinc/71/78/86/570717886.db2.gz	RIQGMHDABSAULC-UHFFFAOYSA-N	-1	3	379.376	2.889	50	30		GFEAHM
O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1n[n-]c(-c2ccccn2)n1	ZINC000058193064	570717888	/nfs/dbraw/zinc/71/78/88/570717888.db2.gz	RIQGMHDABSAULC-UHFFFAOYSA-N	-1	3	379.376	2.889	50	30		GFEAHM
COc1cc([C@H]2C3C(=O)CCCC3=Nc3ncnn32)cc(Br)c1[O-]	ZINC000000955859	212199313	/nfs/dbraw/zinc/19/93/13/212199313.db2.gz	UZVNXGLIYHEOHF-AWEZNQCLSA-N	-1	3	391.225	2.777	50	30		GFEAHM
CNC(=O)N([O-])[C@@H]1N(/N=C/c2ccc(N(C)C)cc2)C(=S)SC1(C)C	ZINC000013138740	221262865	/nfs/dbraw/zinc/26/28/65/221262865.db2.gz	NTWIGNCOACPQAH-SGPNVBEDSA-N	-1	3	381.527	2.556	50	30		GFEAHM
Cc1c(C#N)c(=O)[n-]cc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1	ZINC000072475557	222265549	/nfs/dbraw/zinc/26/55/49/222265549.db2.gz	KFGMJNGWHAELLJ-UHFFFAOYSA-N	-1	3	376.460	2.630	50	30		GFEAHM
CCOc1cc(C=NNc2[n-]c(=O)nnc2C)ccc1OCCc1ccccc1	ZINC000004422750	520642767	/nfs/dbraw/zinc/64/27/67/520642767.db2.gz	ZMYSRHJXYZSJKS-HYARGMPZSA-N	-1	3	393.447	2.940	50	30		GFEAHM
C=CCn1c(=O)[nH]nc1SCc1cc(=O)[n-]c(C23CC4CC(CC(C4)C2)C3)n1	ZINC000011330455	570233523	/nfs/dbraw/zinc/23/35/23/570233523.db2.gz	NMRBBAFBGLDQDR-UHFFFAOYSA-N	-1	3	399.520	2.601	50	30		GFEAHM
CCOC(=O)CC/C(C)=N\N=C1\SC(CC(=O)[O-])C(=O)N1c1ccccc1	ZINC000005091640	570415572	/nfs/dbraw/zinc/41/55/72/570415572.db2.gz	GDMUZFFAUVTNPU-ZWKWWKBSSA-N	-1	3	391.449	2.685	50	30		GFEAHM
Cc1ncc(CO)c(C=NN2C(=S)N=NC2c2ccccc2Cl)c1[O-]	ZINC000254814113	655435860	/nfs/dbraw/zinc/43/58/60/655435860.db2.gz	YSLJORYKMBIXAQ-UHFFFAOYSA-N	-1	3	375.841	2.671	50	30		GFEAHM
O=C1CCCC2=C1[C@@H](c1ccccc1C(F)(F)F)c1c(=O)[n-]c(=O)[nH]c1N2	ZINC000000921406	212194984	/nfs/dbraw/zinc/19/49/84/212194984.db2.gz	NBLSGZBSOOILHO-GFCCVEGCSA-N	-1	3	377.322	2.647	50	30		GFEAHM
N#Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Br)OCCO3)c1	ZINC000016120850	221357168	/nfs/dbraw/zinc/35/71/68/221357168.db2.gz	CDLFBWQMZIHESZ-UHFFFAOYSA-N	-1	3	395.234	2.893	50	30		GFEAHM
COc1cc(C=NNc2[n-]c(=O)nnc2C)ccc1OCCc1ccccc1	ZINC000004749826	570961693	/nfs/dbraw/zinc/96/16/93/570961693.db2.gz	BDLPNBDQQCXKIP-FYJGNVAPSA-N	-1	3	379.420	2.549	50	30		GFEAHM