smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C#N)ccc1OCCCC(=O)N1CCN2CCCC[C@H]2C1	ZINC000195056195	548570081	/nfs/dbraw/zinc/57/00/81/548570081.db2.gz	NOJCDFNMEATPDZ-KRWDZBQOSA-N	0	1	357.454	2.423	10	30		FEEEMN
COc1cc(C=Nn2c(C(F)(F)Cl)n[nH]c2=S)cc(OC)c1O	ZINC000254745054	549701124	/nfs/dbraw/zinc/70/11/24/549701124.db2.gz	JKNVBCKDABMGQG-UHFFFAOYSA-N	0	1	364.761	2.460	10	30		FEEEMN
CC[N@H+]1CCC[C@@H](CN(C)C(=O)N=c2cn[n-]s2)[C@@H]1c1cnn(C)c1	ZINC000330261585	673087826	/nfs/dbraw/zinc/08/78/26/673087826.db2.gz	PFMRUUCUZQZAQX-SWLSCSKDSA-N	0	1	363.491	2.222	10	30		FEEEMN
Cc1nc([C@@H]2CN(C(=O)N[C@@H](CCC#N)c3ccccc3)CCO2)n[nH]1	ZINC000160574770	546052161	/nfs/dbraw/zinc/05/21/61/546052161.db2.gz	ZUFCOGTZYYFYDO-HOTGVXAUSA-N	0	1	354.414	2.241	10	30		FEEEMN
C[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(S(C)(=O)=O)cc1	ZINC000163287127	546143704	/nfs/dbraw/zinc/14/37/04/546143704.db2.gz	WWPGVZZYPJFAQU-CQSZACIVSA-N	0	1	363.483	2.083	10	30		FEEEMN
CCOCCN1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1CC	ZINC000177055050	546533186	/nfs/dbraw/zinc/53/31/86/546533186.db2.gz	JWXMWCZIGJBBFK-OALUTQOASA-N	0	1	359.470	2.205	10	30		FEEEMN
CC[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)CCN1CCOC	ZINC000177132074	546551321	/nfs/dbraw/zinc/55/13/21/546551321.db2.gz	GSKDIQSHOFYSNM-HNNXBMFYSA-N	0	1	364.515	2.218	10	30		FEEEMN
C[C@H](O)CN1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H]1C	ZINC000246721092	549195666	/nfs/dbraw/zinc/19/56/66/549195666.db2.gz	LKDUAFQEENATBF-SJORKVTESA-N	0	1	359.470	2.021	10	30		FEEEMN
Cc1cc(C#N)nc(NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)n1	ZINC000284811905	551639709	/nfs/dbraw/zinc/63/97/09/551639709.db2.gz	IWMLSQZUTXHSJF-KBXCAEBGSA-N	0	1	351.458	2.418	10	30		FEEEMN
CCOCCN1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1CC	ZINC000106117951	543202852	/nfs/dbraw/zinc/20/28/52/543202852.db2.gz	DSXKPPVMNHENKF-FUHWJXTLSA-N	0	1	358.486	2.318	10	30		FEEEMN
C=CCOc1ccccc1CNC(=O)N1CCO[C@H](c2n[nH]c(CC)n2)C1	ZINC000139994883	544406130	/nfs/dbraw/zinc/40/61/30/544406130.db2.gz	ITDMWLBMTJUEFK-INIZCTEOSA-N	0	1	371.441	2.215	10	30		FEEEMN
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](Cn2cncn2)C1	ZINC000247555884	549356897	/nfs/dbraw/zinc/35/68/97/549356897.db2.gz	FNVGGMBIQLZETB-QZTJIDSGSA-N	0	1	366.469	2.325	10	30		FEEEMN
Cc1nc([C@@H]2CN(Cc3ccc(C#N)cc3Br)CCO2)n[nH]1	ZINC000181122322	547253974	/nfs/dbraw/zinc/25/39/74/547253974.db2.gz	KGQHUTCFXAVUHY-AWEZNQCLSA-N	0	1	362.231	2.321	10	30		FEEEMN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](N2CCOCC2)C1	ZINC000247246350	549306597	/nfs/dbraw/zinc/30/65/97/549306597.db2.gz	YLMPZBFELIRVGT-IAGOWNOFSA-N	0	1	363.527	2.058	10	30		FEEEMN
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000253549667	549693730	/nfs/dbraw/zinc/69/37/30/549693730.db2.gz	VBUXXHAKCORPNN-CVEARBPZSA-N	0	1	356.470	2.294	10	30		FEEEMN
N#Cc1c(O)cc(I)cc1I	ZINC000307345252	553752315	/nfs/dbraw/zinc/75/23/15/553752315.db2.gz	NVASEWLYYNNMHC-UHFFFAOYSA-N	0	1	370.915	2.473	10	30		FEEEMN
Cc1ncc(S(=O)(=O)N[C@@H](C)CN(C)Cc2ccccc2)cc1C#N	ZINC000386500159	558606944	/nfs/dbraw/zinc/60/69/44/558606944.db2.gz	YXSYNAWUARELBG-AWEZNQCLSA-N	0	1	358.467	2.061	10	30		FEEEMN
CCCS(=O)(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1nc2ccccc2o1	ZINC000250352778	672876038	/nfs/dbraw/zinc/87/60/38/672876038.db2.gz	LPTHUDJIICYZFP-JSGCOSHPSA-N	0	1	361.423	2.208	10	30		FEEEMN
CN(C)C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1	ZINC000102962510	325502715	/nfs/dbraw/zinc/50/27/15/325502715.db2.gz	LAJSNRAZZOORRS-KRWDZBQOSA-N	0	1	354.385	2.055	10	30		FEEEMN
CC[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CCN1CCOC	ZINC000173679902	327275960	/nfs/dbraw/zinc/27/59/60/327275960.db2.gz	YVLJYFKKOGOBIQ-QGZVFWFLSA-N	0	1	355.442	2.151	10	30		FEEEMN
C[C@H]1CN(Cc2ccc(C#N)cc2Br)C[C@@H]1N1CCOCC1	ZINC000181141702	547256211	/nfs/dbraw/zinc/25/62/11/547256211.db2.gz	CRSSXGAJPKVETC-GUYCJALGSA-N	0	1	364.287	2.473	10	30		FEEEMN
CCN1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C1	ZINC000247091725	549281558	/nfs/dbraw/zinc/28/15/58/549281558.db2.gz	JCWBTCQKTVIEOL-CABCVRRESA-N	0	1	374.510	2.477	10	30		FEEEMN
N#Cc1cc(O)c(I)cc1I	ZINC000307639909	553752136	/nfs/dbraw/zinc/75/21/36/553752136.db2.gz	DFBGYQIALWORRI-UHFFFAOYSA-N	0	1	370.915	2.473	10	30		FEEEMN
CC(C)n1cc([C@@]2(O)CCN(CCCOc3cccc(C#N)c3)C2)nn1	ZINC000375343626	558012784	/nfs/dbraw/zinc/01/27/84/558012784.db2.gz	XJXXFBPKVZHLHY-LJQANCHMSA-N	0	1	355.442	2.093	10	30		FEEEMN
CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)NC[C@@H]1CCOC1	ZINC000328636640	553799983	/nfs/dbraw/zinc/79/99/83/553799983.db2.gz	VPRVEHHDUTZYCI-RYUDHWBXSA-N	0	1	360.380	2.347	10	30		FEEEMN
CC(C)n1c(NN=Cc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C	ZINC000012558800	539566103	/nfs/dbraw/zinc/56/61/03/539566103.db2.gz	SQWNVVHTJCSZKF-DJKKODMXSA-N	0	1	374.832	2.114	10	30		FEEEMN
CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000106914226	543255642	/nfs/dbraw/zinc/25/56/42/543255642.db2.gz	NBADWSLAEOKXRD-NRFANRHFSA-N	0	1	362.477	2.380	10	30		FEEEMN
N#CCCN(C(=O)CCC(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccccc1	ZINC000108890126	543306979	/nfs/dbraw/zinc/30/69/79/543306979.db2.gz	VMWMTXGCJWGYPJ-IBGZPJMESA-N	0	1	368.481	2.410	10	30		FEEEMN
N#CCCN(C(=O)CCC(=O)N1CCN2CCCC[C@H]2C1)c1ccccc1	ZINC000108890126	543306983	/nfs/dbraw/zinc/30/69/83/543306983.db2.gz	VMWMTXGCJWGYPJ-IBGZPJMESA-N	0	1	368.481	2.410	10	30		FEEEMN
CCn1cc(CN2CCCN(Cc3ccc(OC)c(C#N)c3)CC2)cn1	ZINC000135053429	544332360	/nfs/dbraw/zinc/33/23/60/544332360.db2.gz	VSDKZVSWGYYVCD-UHFFFAOYSA-N	0	1	353.470	2.491	10	30		FEEEMN
CC(C)(C)OC[C@H](O)CN1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000153899007	544837513	/nfs/dbraw/zinc/83/75/13/544837513.db2.gz	IXQWFWLLCYZDIT-QGZVFWFLSA-N	0	1	368.481	2.404	10	30		FEEEMN
COCCN1CCN(Cc2cc(C#N)ccc2Br)C[C@H]1C	ZINC000191784849	328281560	/nfs/dbraw/zinc/28/15/60/328281560.db2.gz	KSVIHVVYXHRZEN-CYBMUJFWSA-N	0	1	352.276	2.473	10	30		FEEEMN
N#Cc1ccc(N2CC[C@@H](N3CC[C@@H](CNc4ccccn4)C3)C2=O)cc1	ZINC000171643625	327150624	/nfs/dbraw/zinc/15/06/24/327150624.db2.gz	HAKBXXHAAQTQSG-PKOBYXMFSA-N	0	1	361.449	2.493	10	30		FEEEMN
CCOCCN1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1CC	ZINC000247775272	549380316	/nfs/dbraw/zinc/38/03/16/549380316.db2.gz	QKEFCXYKZKCHDH-QUCCMNQESA-N	0	1	370.497	2.096	10	30		FEEEMN
CN(C)c1ccc(N[C@H]2CCCN(C(=O)NCCn3cccn3)CC2)cn1	ZINC000328630509	553799677	/nfs/dbraw/zinc/79/96/77/553799677.db2.gz	JKKIRMXVMFFEIM-INIZCTEOSA-N	0	1	371.489	2.225	10	30		FEEEMN
COc1ccc(C=Nn2c(=O)c(C)n[nH]c2=S)cc1Br	ZINC000038633447	205042114	/nfs/dbraw/zinc/04/21/14/205042114.db2.gz	BEUQWTIUEXQFGI-NSIKDUERSA-N	0	1	355.217	2.263	10	30		FEEEMN
COCCN1CCN(Cc2cc(C#N)ccc2Br)C[C@@H]1C	ZINC000191784863	328281546	/nfs/dbraw/zinc/28/15/46/328281546.db2.gz	KSVIHVVYXHRZEN-ZDUSSCGKSA-N	0	1	352.276	2.473	10	30		FEEEMN
COc1ccccc1OCC(=O)ONC(=N)Cc1ccc(OC)c(OC)c1	ZINC000020275091	524666801	/nfs/dbraw/zinc/66/68/01/524666801.db2.gz	LQZDSNCPZSQNNI-UHFFFAOYSA-N	0	1	374.393	2.149	10	30		FEEEMN
C[C@@H](O)C[N@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C	ZINC000159912501	545991926	/nfs/dbraw/zinc/99/19/26/545991926.db2.gz	MVQJSGMLTIYOLH-HUUCEWRRSA-N	0	1	356.388	2.324	10	30		FEEEMN
CCOCCN1CCN(C(=O)NCc2ccc(OCC#N)cc2)C[C@@H]1CC	ZINC000172132984	546238110	/nfs/dbraw/zinc/23/81/10/546238110.db2.gz	QQBQXNUVLAVNEB-SFHVURJKSA-N	0	1	374.485	2.231	10	30		FEEEMN
C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000246195080	549074557	/nfs/dbraw/zinc/07/45/57/549074557.db2.gz	OIMSMZWRLGSOPI-RISCZKNCSA-N	0	1	373.400	2.434	10	30		FEEEMN
C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000247775165	549378587	/nfs/dbraw/zinc/37/85/87/549378587.db2.gz	QHZVYCNULAMECL-QAPCUYQASA-N	0	1	364.453	2.276	10	30		FEEEMN
CCOCCN1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1CC	ZINC000247775269	549379851	/nfs/dbraw/zinc/37/98/51/549379851.db2.gz	QKEFCXYKZKCHDH-ICSRJNTNSA-N	0	1	370.497	2.096	10	30		FEEEMN
N#Cc1c(O)ccc(I)c1I	ZINC000307346281	553751799	/nfs/dbraw/zinc/75/17/99/553751799.db2.gz	OTDFZVFWZGTNJT-UHFFFAOYSA-N	0	1	370.915	2.473	10	30		FEEEMN
C=CCOc1ccccc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1	ZINC000119892924	543673190	/nfs/dbraw/zinc/67/31/90/543673190.db2.gz	UGMAFBUXWNUUFJ-IBGZPJMESA-N	0	1	366.461	2.400	10	30		FEEEMN
Cc1nc(CN2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)no1	ZINC000127960670	544023832	/nfs/dbraw/zinc/02/38/32/544023832.db2.gz	JJXOTDSZJKAMJZ-HNNXBMFYSA-N	0	1	355.442	2.377	10	30		FEEEMN
COC(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1	ZINC000156970423	326850104	/nfs/dbraw/zinc/85/01/04/326850104.db2.gz	UEBJTQIBEREKAV-OAHLLOKOSA-N	0	1	364.810	2.404	10	30		FEEEMN
CCc1nc([C@@H]2CN(C(=O)CSCc3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000173562116	327266739	/nfs/dbraw/zinc/26/67/39/327266739.db2.gz	YKVFCDMSFMTKCF-HNNXBMFYSA-N	0	1	371.466	2.072	10	30		FEEEMN
CC(C)c1noc([C@H](NC(=O)NCCn2cccn2)C2CCOCC2)n1	ZINC000328637999	519911664	/nfs/dbraw/zinc/91/16/64/519911664.db2.gz	WGUBDQSBTOLCNB-CQSZACIVSA-N	0	1	362.434	2.061	10	30		FEEEMN
CCOCCN1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1CC	ZINC000247548351	549355586	/nfs/dbraw/zinc/35/55/86/549355586.db2.gz	DSXKPPVMNHENKF-SJLPKXTDSA-N	0	1	358.486	2.318	10	30		FEEEMN
Cc1nc([C@@H]2CN(C(=O)N[C@H](CCC#N)c3ccccc3)CCO2)n[nH]1	ZINC000160575050	546053773	/nfs/dbraw/zinc/05/37/73/546053773.db2.gz	ZUFCOGTZYYFYDO-CVEARBPZSA-N	0	1	354.414	2.241	10	30		FEEEMN
COCC[N@H+]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C	ZINC000180100121	547051565	/nfs/dbraw/zinc/05/15/65/547051565.db2.gz	QDQIQTJAXMTEIP-INIZCTEOSA-N	0	1	353.470	2.111	10	30		FEEEMN
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cc(C#N)ccc2OC(C)C)C1	ZINC000263474375	549904288	/nfs/dbraw/zinc/90/42/88/549904288.db2.gz	ISPYNZPRDDUROJ-UHFFFAOYSA-N	0	1	374.441	2.404	10	30		FEEEMN
C=CCn1c(C)cc(C(=O)CN2CCC([N@@H+](CC)CC(=O)[O-])CC2)c1C	ZINC000263575261	549910308	/nfs/dbraw/zinc/91/03/08/549910308.db2.gz	OUCHNMDWMQGOBA-UHFFFAOYSA-N	0	1	361.486	2.345	10	30		FEEEMN
O=S1(=O)C[C@@H]2N=C(NCc3c(Cl)cccc3Cl)S[C@@H]2C1	ZINC000040166249	208241452	/nfs/dbraw/zinc/24/14/52/208241452.db2.gz	ABQCJMVZLIUCLR-WDEREUQCSA-N	0	1	351.280	2.351	10	30		FEEEMN
C=CCSc1ccccc1NC(=O)CN1CCN(C[C@@H](C)O)[C@@H](C)C1	ZINC000106100330	543196070	/nfs/dbraw/zinc/19/60/70/543196070.db2.gz	TUHDYBYLGRYVLZ-JKSUJKDBSA-N	0	1	363.527	2.290	10	30		FEEEMN
CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000174768156	327349639	/nfs/dbraw/zinc/34/96/39/327349639.db2.gz	ZYPPCMFZCJXIAA-ZDUSSCGKSA-N	0	1	368.359	2.116	10	30		FEEEMN
CCc1nc([C@H]2CN(C(=O)N[C@H](CCC#N)c3ccccc3)CCO2)n[nH]1	ZINC000160547809	546051141	/nfs/dbraw/zinc/05/11/41/546051141.db2.gz	PSXVCBREMJTNDU-HZPDHXFCSA-N	0	1	368.441	2.495	10	30		FEEEMN
CN(C)C[C@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CCO1	ZINC000174851392	546304417	/nfs/dbraw/zinc/30/44/17/546304417.db2.gz	YKYZNJZKUWWPEW-INIZCTEOSA-N	0	1	354.454	2.000	10	30		FEEEMN
C=CCn1c(=O)c2ccc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2[n-]c1=S	ZINC000195317072	548620882	/nfs/dbraw/zinc/62/08/82/548620882.db2.gz	YBKZPJIGQQTOIW-CQSZACIVSA-N	0	1	370.478	2.165	10	30		FEEEMN
C[C@H]1CN(Cc2ccc(C#N)cc2Br)C[C@H]1N1CCOCC1	ZINC000245531653	548941118	/nfs/dbraw/zinc/94/11/18/548941118.db2.gz	CRSSXGAJPKVETC-SUMWQHHRSA-N	0	1	364.287	2.473	10	30		FEEEMN
CC[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CCN1C[C@H](C)O	ZINC000247804343	549382124	/nfs/dbraw/zinc/38/21/24/549382124.db2.gz	SFKPBOOVLJGPEE-GBESFXJTSA-N	0	1	372.513	2.099	10	30		FEEEMN
COc1ccc2c(c1)[C@]1(C[C@@H]1C(=O)Nc1c(C)n[nH]c1C(N)=O)CCO2	ZINC000328608561	553795822	/nfs/dbraw/zinc/79/58/22/553795822.db2.gz	ZPUSZBBEXFETMU-KZULUSFZSA-N	0	1	356.382	2.154	10	30		FEEEMN
C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000119709058	671906540	/nfs/dbraw/zinc/90/65/40/671906540.db2.gz	DLZPMMBKLDQZEF-HUUCEWRRSA-N	0	1	350.484	2.330	10	30		FEEEMN
C=CCN(Cc1cccs1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000025230816	539751627	/nfs/dbraw/zinc/75/16/27/539751627.db2.gz	ZOGNRUPYILYHKS-CQSZACIVSA-N	0	1	356.447	2.393	10	30		FEEEMN
CCOCCN1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1CC	ZINC000106117702	543202916	/nfs/dbraw/zinc/20/29/16/543202916.db2.gz	YSVWPYOYKQIEBG-MRXNPFEDSA-N	0	1	362.474	2.139	10	30		FEEEMN
COc1c(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)nn1C	ZINC000122824959	543725919	/nfs/dbraw/zinc/72/59/19/543725919.db2.gz	LHLFJOGSMSEKEP-UHFFFAOYSA-N	0	1	353.470	2.317	10	30		FEEEMN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C[C@@H](O)CC)CC1	ZINC000173454901	546281973	/nfs/dbraw/zinc/28/19/73/546281973.db2.gz	ZRAUQHCILURBGA-IRXDYDNUSA-N	0	1	365.543	2.040	10	30		FEEEMN
N#Cc1ccc(N2CC[C@H](N3CC[C@@H](CNc4ccccn4)C3)C2=O)cc1	ZINC000246095638	549051181	/nfs/dbraw/zinc/05/11/81/549051181.db2.gz	HAKBXXHAAQTQSG-HKUYNNGSSA-N	0	1	361.449	2.493	10	30		FEEEMN
CC(C)n1cc([C@]2(O)CCCN(CCOc3cccc(C#N)c3)C2)nn1	ZINC000284490205	551560685	/nfs/dbraw/zinc/56/06/85/551560685.db2.gz	CKMREFWBJUBMAY-IBGZPJMESA-N	0	1	355.442	2.093	10	30		FEEEMN
Cc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)c(C#N)c1C	ZINC000583618227	570808440	/nfs/dbraw/zinc/80/84/40/570808440.db2.gz	UDVZEFIDIVXRDY-MAUKXSAKSA-N	0	1	353.474	2.218	10	30		FEEEMN
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](Cn2cncn2)C1	ZINC000106173520	543212873	/nfs/dbraw/zinc/21/28/73/543212873.db2.gz	FNVGGMBIQLZETB-MSOLQXFVSA-N	0	1	366.469	2.325	10	30		FEEEMN
Cc1nc([C@H]2CN(Cc3cc(C#N)ccc3Br)CCO2)n[nH]1	ZINC000191799714	328282608	/nfs/dbraw/zinc/28/26/08/328282608.db2.gz	VULPFGSTTXLGNX-CQSZACIVSA-N	0	1	362.231	2.321	10	30		FEEEMN
CN(C)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccccc1	ZINC000178830443	546856649	/nfs/dbraw/zinc/85/66/49/546856649.db2.gz	OKYRYZAADNVWLX-KRWDZBQOSA-N	0	1	354.385	2.055	10	30		FEEEMN
C=CCOc1ccccc1CNC(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1	ZINC000181744767	547373269	/nfs/dbraw/zinc/37/32/69/547373269.db2.gz	TXJFGUPRJIZCKZ-AEFFLSMTSA-N	0	1	361.486	2.238	10	30		FEEEMN
C=CCOc1ccccc1CNC(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1	ZINC000181744749	547373321	/nfs/dbraw/zinc/37/33/21/547373321.db2.gz	TXJFGUPRJIZCKZ-SJLPKXTDSA-N	0	1	361.486	2.238	10	30		FEEEMN
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000185900212	548054164	/nfs/dbraw/zinc/05/41/64/548054164.db2.gz	PNOZFWQLUPDOBV-HNNXBMFYSA-N	0	1	373.478	2.366	10	30		FEEEMN
C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000310958385	553754241	/nfs/dbraw/zinc/75/42/41/553754241.db2.gz	BHHZXFBDULEQPE-INIZCTEOSA-N	0	1	357.479	2.498	10	30		FEEEMN
CN(C)C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1	ZINC000102962512	543086782	/nfs/dbraw/zinc/08/67/82/543086782.db2.gz	LAJSNRAZZOORRS-QGZVFWFLSA-N	0	1	354.385	2.055	10	30		FEEEMN
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](Cn2cncn2)C1	ZINC000106173518	543212717	/nfs/dbraw/zinc/21/27/17/543212717.db2.gz	FNVGGMBIQLZETB-ROUUACIJSA-N	0	1	366.469	2.325	10	30		FEEEMN
CC[C@@H](O)CN1CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1	ZINC000123597146	543770943	/nfs/dbraw/zinc/77/09/43/543770943.db2.gz	BGLNWTQZFBUNSU-GOSISDBHSA-N	0	1	361.486	2.266	10	30		FEEEMN
Cc1n[nH]cc1CNC([O-])=[NH+]C[C@H]1CCc2nc(C(F)(F)F)cn2C1	ZINC000328615360	526547059	/nfs/dbraw/zinc/54/70/59/526547059.db2.gz	AUOGFLGMJNJMCA-SNVBAGLBSA-N	0	1	356.352	2.200	10	30		FEEEMN
CN(C)C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccccc1	ZINC000175944037	546376884	/nfs/dbraw/zinc/37/68/84/546376884.db2.gz	KTSIOVBMMJOOCX-QGZVFWFLSA-N	0	1	354.385	2.055	10	30		FEEEMN
COCCOc1ccc(C#N)cc1NC(=O)N1CCN2CCCC[C@H]2C1	ZINC000184599325	547852051	/nfs/dbraw/zinc/85/20/51/547852051.db2.gz	HFHWMQSPFNXGMF-INIZCTEOSA-N	0	1	358.442	2.285	10	30		FEEEMN
Cc1nc(CN2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)no1	ZINC000246181553	549070847	/nfs/dbraw/zinc/07/08/47/549070847.db2.gz	JJXOTDSZJKAMJZ-OAHLLOKOSA-N	0	1	355.442	2.377	10	30		FEEEMN
COc1ccc(C=Nn2c(C(F)F)n[nH]c2=S)cc1COC(C)=O	ZINC000254349177	549700241	/nfs/dbraw/zinc/70/02/41/549700241.db2.gz	LNFWVGLDFZDPNJ-UHFFFAOYSA-N	0	1	356.354	2.458	10	30		FEEEMN
CN(Cc1nccc(N)n1)[C@H]1CCCN(c2cccc(F)c2C#N)CC1	ZINC000328630300	553798933	/nfs/dbraw/zinc/79/89/33/553798933.db2.gz	JEXDBZGTHBEEKJ-AWEZNQCLSA-N	0	1	354.433	2.560	10	30		FEEEMN
CC[C@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCN1CCOC	ZINC000106114276	543201709	/nfs/dbraw/zinc/20/17/09/543201709.db2.gz	DTJDFVIJBSENTE-HOCLYGCPSA-N	0	1	362.474	2.138	10	30		FEEEMN
CCOCCN1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1CC	ZINC000106117899	543202730	/nfs/dbraw/zinc/20/27/30/543202730.db2.gz	XYKDNNCBICNMFI-ZWKOTPCHSA-N	0	1	364.534	2.150	10	30		FEEEMN
Cc1nc(C)n(C[C@H]2CCCN(CC(=O)Nc3ccc(C#N)cc3)C2)n1	ZINC000106180684	543214331	/nfs/dbraw/zinc/21/43/31/543214331.db2.gz	OPZHUIGEMQBNAJ-KRWDZBQOSA-N	0	1	352.442	2.117	10	30		FEEEMN
N#Cc1ccc(N2CC[C@@H](N3CC[C@H](CNc4ccccn4)C3)C2=O)cc1	ZINC000171643628	327150900	/nfs/dbraw/zinc/15/09/00/327150900.db2.gz	HAKBXXHAAQTQSG-IEBWSBKVSA-N	0	1	361.449	2.493	10	30		FEEEMN
Cc1cccc(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccccc2)c1C#N	ZINC000174601692	327337451	/nfs/dbraw/zinc/33/74/51/327337451.db2.gz	UIEOVEKKANEWPZ-SFHVURJKSA-N	0	1	350.422	2.224	10	30		FEEEMN
COCCN1CCN(Cc2ccc(C#N)cc2Br)C[C@H]1C	ZINC000181094622	547248637	/nfs/dbraw/zinc/24/86/37/547248637.db2.gz	AQDXHTQCIHPMAM-CYBMUJFWSA-N	0	1	352.276	2.473	10	30		FEEEMN
CN(C(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1)C1(C#N)CCCCC1	ZINC000188143307	548272907	/nfs/dbraw/zinc/27/29/07/548272907.db2.gz	ZXRMHQOGTQFYQL-IRXDYDNUSA-N	0	1	361.511	2.441	10	30		FEEEMN
C[C@@H](C#N)Oc1ccc(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1	ZINC000121559412	543696472	/nfs/dbraw/zinc/69/64/72/543696472.db2.gz	CJSGHIUEVYCCTL-KRWDZBQOSA-N	0	1	353.470	2.419	10	30		FEEEMN
CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000125747473	543899322	/nfs/dbraw/zinc/89/93/22/543899322.db2.gz	FWGPEKITVBTASG-QWHCGFSZSA-N	0	1	355.410	2.084	10	30		FEEEMN
COC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1	ZINC000156970576	326850089	/nfs/dbraw/zinc/85/00/89/326850089.db2.gz	UEBJTQIBEREKAV-HNNXBMFYSA-N	0	1	364.810	2.404	10	30		FEEEMN
CC(C)c1noc([C@@H](NC(=O)NCCn2cccn2)C2CCOCC2)n1	ZINC000328637998	519908556	/nfs/dbraw/zinc/90/85/56/519908556.db2.gz	WGUBDQSBTOLCNB-AWEZNQCLSA-N	0	1	362.434	2.061	10	30		FEEEMN
Cc1nc([C@H]2CN(C(=O)N[C@@H](CCC#N)c3ccccc3)CCO2)n[nH]1	ZINC000160574905	546052862	/nfs/dbraw/zinc/05/28/62/546052862.db2.gz	ZUFCOGTZYYFYDO-JKSUJKDBSA-N	0	1	354.414	2.241	10	30		FEEEMN
CCOCCN1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1CC	ZINC000247775283	549380434	/nfs/dbraw/zinc/38/04/34/549380434.db2.gz	QKEXQJLTKVIFSU-APWZRJJASA-N	0	1	358.486	2.318	10	30		FEEEMN
CCOc1cc2c(cc1OC)[C@@H](NC(=O)C(F)(F)F)/C(=C\N(C)C)C2=O	ZINC000035073903	208116288	/nfs/dbraw/zinc/11/62/88/208116288.db2.gz	LCZNRHJSPDWWLG-BMGYJQCNSA-N	0	1	372.343	2.455	10	30		FEEEMN
CCOCCN1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1CC	ZINC000106117904	543202266	/nfs/dbraw/zinc/20/22/66/543202266.db2.gz	XYKDNNCBICNMFI-ROUUACIJSA-N	0	1	364.534	2.150	10	30		FEEEMN
C=CCNC(=O)c1ccc(NC(=O)N2CCN(CCOC)[C@@H](CC)C2)cc1	ZINC000117446863	543632465	/nfs/dbraw/zinc/63/24/65/543632465.db2.gz	TZZOANLBHXJFQE-SFHVURJKSA-N	0	1	374.485	2.177	10	30		FEEEMN
C=CCc1cc(CN2CCO[C@H](c3n[nH]c(CC)n3)C2)cc(OC)c1O	ZINC000129085295	544090293	/nfs/dbraw/zinc/09/02/93/544090293.db2.gz	XUGBNOGIWIWAQG-INIZCTEOSA-N	0	1	358.442	2.383	10	30		FEEEMN
Cc1nc([C@@H]2CN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)n[nH]1	ZINC000173672346	327275546	/nfs/dbraw/zinc/27/55/46/327275546.db2.gz	QYYUHZHQBYQQHI-HNNXBMFYSA-N	0	1	374.832	2.040	10	30		FEEEMN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@@H](C)C1	ZINC000247551059	549355014	/nfs/dbraw/zinc/35/50/14/549355014.db2.gz	DZUCRHIVSKOANZ-ULQDDVLXSA-N	0	1	365.543	2.038	10	30		FEEEMN
CCOCCN1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1CC	ZINC000172134606	546237811	/nfs/dbraw/zinc/23/78/11/546237811.db2.gz	HGKYRGFOHHHZMF-QGZVFWFLSA-N	0	1	362.449	2.340	10	30		FEEEMN
C#CCN1CCC(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)CC1	ZINC000176444868	546447915	/nfs/dbraw/zinc/44/79/15/546447915.db2.gz	IEGMPOSTXBBHBR-QGZVFWFLSA-N	0	1	355.486	2.013	10	30		FEEEMN
COC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1	ZINC000183617480	547690219	/nfs/dbraw/zinc/69/02/19/547690219.db2.gz	SVPNSKCAQDXYRA-HNNXBMFYSA-N	0	1	364.810	2.404	10	30		FEEEMN
C=CCCC[C@@H](C)NC(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000245932661	549024002	/nfs/dbraw/zinc/02/40/02/549024002.db2.gz	SRJPRDKZCIAGOW-RTBURBONSA-N	0	1	366.550	2.168	10	30		FEEEMN
C=CCN(CCc1ccccc1)C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1	ZINC000263502392	549905593	/nfs/dbraw/zinc/90/55/93/549905593.db2.gz	VXGIRCKFTXENGW-UHFFFAOYSA-N	0	1	359.470	2.364	10	30		FEEEMN
CC(C)n1cc([C@@]2(O)CCCN(CCOc3ccccc3C#N)C2)nn1	ZINC000284758149	551625917	/nfs/dbraw/zinc/62/59/17/551625917.db2.gz	YCSWMRAASRWXDY-LJQANCHMSA-N	0	1	355.442	2.093	10	30		FEEEMN
C#C[C@@H](NC(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1)c1ccc(Cl)cc1	ZINC000263512911	672935383	/nfs/dbraw/zinc/93/53/83/672935383.db2.gz	ZLEFAMWSPKSSOZ-UYSNPLJNSA-N	0	1	363.845	2.251	10	30		FEEEMN
CCOCCN1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1CC	ZINC000106117706	543202416	/nfs/dbraw/zinc/20/24/16/543202416.db2.gz	YSVWPYOYKQIEBG-INIZCTEOSA-N	0	1	362.474	2.139	10	30		FEEEMN
CCc1nc([C@H]2CN(c3nc(C(F)(F)F)ccc3C#N)CCO2)n[nH]1	ZINC000131576178	544196343	/nfs/dbraw/zinc/19/63/43/544196343.db2.gz	BQIHORCQDXOZHS-SNVBAGLBSA-N	0	1	352.320	2.230	10	30		FEEEMN
CC[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CCN1CCOC	ZINC000246946058	549248288	/nfs/dbraw/zinc/24/82/88/549248288.db2.gz	BEESZBJYQIHXLI-RTBURBONSA-N	0	1	372.513	2.364	10	30		FEEEMN
N#Cc1nc(NCCN2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-]	ZINC000302726139	553728998	/nfs/dbraw/zinc/72/89/98/553728998.db2.gz	NTAUGOQFTFVIOF-UHFFFAOYSA-N	0	1	366.425	2.091	10	30		FEEEMN
Cc1n[nH]cc1CNC([O-])=[NH+]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1	ZINC000328615355	526547070	/nfs/dbraw/zinc/54/70/70/526547070.db2.gz	AUOGFLGMJNJMCA-JTQLQIEISA-N	0	1	356.352	2.200	10	30		FEEEMN
CC(C)C[N@H+]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000160277550	546025707	/nfs/dbraw/zinc/02/57/07/546025707.db2.gz	ZCRFNFDQBCLQHG-CYBMUJFWSA-N	0	1	357.426	2.235	10	30		FEEEMN
C[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(S(C)(=O)=O)cc1	ZINC000163287021	546144196	/nfs/dbraw/zinc/14/41/96/546144196.db2.gz	WWPGVZZYPJFAQU-AWEZNQCLSA-N	0	1	363.483	2.083	10	30		FEEEMN
CCOCCN1CCN(C(=O)NCCOc2ccc(C#N)cc2)C[C@@H]1CC	ZINC000175979440	546384686	/nfs/dbraw/zinc/38/46/86/546384686.db2.gz	CHZSBFJADFIVEG-SFHVURJKSA-N	0	1	374.485	2.079	10	30		FEEEMN
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](CCC#N)c2ccccc2)C1	ZINC000263253363	549889635	/nfs/dbraw/zinc/88/96/35/549889635.db2.gz	PFYCQEHSLSCZKQ-OFLPRAFFSA-N	0	1	358.442	2.268	10	30		FEEEMN
CNC(=O)CN1CCC(CN(C)c2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000301333320	553643039	/nfs/dbraw/zinc/64/30/39/553643039.db2.gz	BCIXOAPSDHBJKY-UHFFFAOYSA-N	0	1	368.403	2.471	10	30		FEEEMN
CN(Cc1nccc(N)n1)[C@H]1CCCN(c2ncc(C#N)cc2Cl)CC1	ZINC000328625436	553798407	/nfs/dbraw/zinc/79/84/07/553798407.db2.gz	DDNSWCFVEBKJQQ-AWEZNQCLSA-N	0	1	371.876	2.470	10	30		FEEEMN
CN(C)c1ccc(N[C@H]2CCCN(C([O-])=[NH+]CCn3ccnc3)CC2)cn1	ZINC000328630145	553798867	/nfs/dbraw/zinc/79/88/67/553798867.db2.gz	JBNPCGPLQXDMDV-INIZCTEOSA-N	0	1	371.489	2.225	10	30		FEEEMN
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)[C@@H](C#N)c1nc2ccccc2o1	ZINC000066516840	670442335	/nfs/dbraw/zinc/44/23/35/670442335.db2.gz	LPTHUDJIICYZFP-TZMCWYRMSA-N	0	1	361.423	2.208	10	30		FEEEMN
C=CCn1c(C2CC2)nn(CN2CCN(CCOC)[C@H](C)C2)c1=S	ZINC000117321744	670914252	/nfs/dbraw/zinc/91/42/52/670914252.db2.gz	FVSUIMZAKBLSMX-CQSZACIVSA-N	0	1	351.520	2.087	10	30		FEEEMN
CC(=O)NCc1cc(O[C@H]2CCN(Cc3ccc(C#N)s3)C2)ccn1	ZINC000886072092	688199564	/nfs/dbraw/zinc/19/95/64/688199564.db2.gz	PACHGOIDZNEZBO-INIZCTEOSA-N	0	1	356.451	2.304	10	30		FEEEMN
C[C@@H](C(=O)Nc1ccccc1C#N)N(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000106077237	543190813	/nfs/dbraw/zinc/19/08/13/543190813.db2.gz	FRMCDLJLHLQPDE-DOTOQJQBSA-N	0	1	364.453	2.276	10	30		FEEEMN
C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2	ZINC000128393495	544050263	/nfs/dbraw/zinc/05/02/63/544050263.db2.gz	QSHHEEZBLITMLM-AWEZNQCLSA-N	0	1	372.446	2.454	10	30		FEEEMN
COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1	ZINC000156970260	326850080	/nfs/dbraw/zinc/85/00/80/326850080.db2.gz	AWIPBYZMFUHZPY-HNNXBMFYSA-N	0	1	364.810	2.404	10	30		FEEEMN
CC[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCN1CCOC	ZINC000247548451	549355096	/nfs/dbraw/zinc/35/50/96/549355096.db2.gz	DTJDFVIJBSENTE-GDBMZVCRSA-N	0	1	362.474	2.138	10	30		FEEEMN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C[C@H](O)CC)CC1	ZINC000173454919	546282024	/nfs/dbraw/zinc/28/20/24/546282024.db2.gz	ZRAUQHCILURBGA-DLBZAZTESA-N	0	1	365.543	2.040	10	30		FEEEMN
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](CN(C)C)c1ccccc1	ZINC000178412847	546789286	/nfs/dbraw/zinc/78/92/86/546789286.db2.gz	HGIRORSCUXVUOC-SFHVURJKSA-N	0	1	350.422	2.224	10	30		FEEEMN
Cc1ccc(C#N)cc1NC(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1	ZINC000263451064	549902271	/nfs/dbraw/zinc/90/22/71/549902271.db2.gz	AOTRSSQTXJGQMF-UHFFFAOYSA-N	0	1	356.426	2.316	10	30		FEEEMN
CC[N@@H+](CC(=O)[O-])C1CC(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1	ZINC000263564459	549909155	/nfs/dbraw/zinc/90/91/55/549909155.db2.gz	UXCPUWAZBFGLQS-UHFFFAOYSA-N	0	1	369.381	2.364	10	30		FEEEMN
CC1(C)OC2=C(c3cc(CO)c(O)cc31)C(=O)c1cc(O)cc(O)c1C2=O	ZINC000005765899	560203075	/nfs/dbraw/zinc/20/30/75/560203075.db2.gz	ICTWTPJJRPUOMP-UHFFFAOYSA-N	0	1	368.341	2.351	10	30	in-vitro	FEEEMN
CCc1nn(C)c(Cl)c1CN1CCN(CCCSCC#N)CC1	ZINC000173886558	546288461	/nfs/dbraw/zinc/28/84/61/546288461.db2.gz	ZOCIPJPAQHNHNO-UHFFFAOYSA-N	0	1	355.939	2.400	10	30		FEEEMN
CN(C)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccccc1	ZINC000178830453	546856875	/nfs/dbraw/zinc/85/68/75/546856875.db2.gz	OKYRYZAADNVWLX-QGZVFWFLSA-N	0	1	354.385	2.055	10	30		FEEEMN
COCC[N@H+]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C	ZINC000180100103	547051412	/nfs/dbraw/zinc/05/14/12/547051412.db2.gz	QDQIQTJAXMTEIP-MRXNPFEDSA-N	0	1	353.470	2.111	10	30		FEEEMN
Cc1nc([C@H]2CN(Cc3ccc(C#N)cc3Br)CCO2)n[nH]1	ZINC000181122336	547254280	/nfs/dbraw/zinc/25/42/80/547254280.db2.gz	KGQHUTCFXAVUHY-CQSZACIVSA-N	0	1	362.231	2.321	10	30		FEEEMN
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000263459124	549902841	/nfs/dbraw/zinc/90/28/41/549902841.db2.gz	DBAMKWSNUBLMGF-UHFFFAOYSA-N	0	1	350.806	2.271	10	30		FEEEMN
CN(C)c1ccc(N[C@@H]2CCCN(C(=O)NCCn3cccn3)CC2)cn1	ZINC000328630510	553799818	/nfs/dbraw/zinc/79/98/18/553799818.db2.gz	JKKIRMXVMFFEIM-MRXNPFEDSA-N	0	1	371.489	2.225	10	30		FEEEMN
CN(C)[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000106914228	543255441	/nfs/dbraw/zinc/25/54/41/543255441.db2.gz	NBADWSLAEOKXRD-OAQYLSRUSA-N	0	1	362.477	2.380	10	30		FEEEMN
C=CCc1cc(CN2CCO[C@@H](c3n[nH]c(CC)n3)C2)cc(OC)c1O	ZINC000129085503	544090168	/nfs/dbraw/zinc/09/01/68/544090168.db2.gz	XUGBNOGIWIWAQG-MRXNPFEDSA-N	0	1	358.442	2.383	10	30		FEEEMN
Cc1nc([C@@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)CCO2)n[nH]1	ZINC000154020310	544854319	/nfs/dbraw/zinc/85/43/19/544854319.db2.gz	NJTQZKRSGBPVSS-HNNXBMFYSA-N	0	1	366.343	2.437	10	30		FEEEMN
CCc1nc([C@H]2CN(C(=O)N[C@@H](CCC#N)c3ccccc3)CCO2)n[nH]1	ZINC000160547545	546050911	/nfs/dbraw/zinc/05/09/11/546050911.db2.gz	PSXVCBREMJTNDU-JKSUJKDBSA-N	0	1	368.441	2.495	10	30		FEEEMN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](N2CCOCC2)C1	ZINC000173984021	546289072	/nfs/dbraw/zinc/28/90/72/546289072.db2.gz	YLMPZBFELIRVGT-IRXDYDNUSA-N	0	1	363.527	2.058	10	30		FEEEMN
C[C@@H]1CN(Cc2ccc(C#N)cc2Br)C[C@H]1N1CCOCC1	ZINC000245531648	548940664	/nfs/dbraw/zinc/94/06/64/548940664.db2.gz	CRSSXGAJPKVETC-CXAGYDPISA-N	0	1	364.287	2.473	10	30		FEEEMN
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000263029373	672926368	/nfs/dbraw/zinc/92/63/68/672926368.db2.gz	KIOYLJWKJSSCPA-UHFFFAOYSA-N	0	1	350.806	2.271	10	30		FEEEMN
C[C@@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1	ZINC000046973249	540281227	/nfs/dbraw/zinc/28/12/27/540281227.db2.gz	XMCIYNDYFNFVBE-APWZRJJASA-N	0	1	356.470	2.343	10	30		FEEEMN
CCOCCN1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1CC	ZINC000106117955	543202911	/nfs/dbraw/zinc/20/29/11/543202911.db2.gz	DSXKPPVMNHENKF-WMZOPIPTSA-N	0	1	358.486	2.318	10	30		FEEEMN
Cc1nc(C)n(C[C@H]2CCCN(CC(=O)N(C)C3(C#N)CCCCC3)C2)n1	ZINC000106181804	543214845	/nfs/dbraw/zinc/21/48/45/543214845.db2.gz	JJWBUCCJDCMEFE-SFHVURJKSA-N	0	1	372.517	2.292	10	30		FEEEMN
C[C@H](C#N)Oc1ccc(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1	ZINC000121559552	543696403	/nfs/dbraw/zinc/69/64/03/543696403.db2.gz	CJSGHIUEVYCCTL-QGZVFWFLSA-N	0	1	353.470	2.419	10	30		FEEEMN
CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)NC1CCOCC1	ZINC000328624466	553797801	/nfs/dbraw/zinc/79/78/01/553797801.db2.gz	JYFRUVXAWQMZLP-NSHDSACASA-N	0	1	360.380	2.489	10	30		FEEEMN
C#CCOC[C@@H](O)C[N@H+](CCOC)Cc1cccn1Cc1ccc(F)cc1	ZINC000035840543	210171202	/nfs/dbraw/zinc/17/12/02/210171202.db2.gz	FENHZCVIIIYKCY-NRFANRHFSA-N	0	1	374.456	2.135	10	30		FEEEMN
C#CCOC[C@@H](O)CN(CCOC)Cc1cccn1Cc1ccc(F)cc1	ZINC000035840543	210171204	/nfs/dbraw/zinc/17/12/04/210171204.db2.gz	FENHZCVIIIYKCY-NRFANRHFSA-N	0	1	374.456	2.135	10	30		FEEEMN
N#CCCN(CCC#N)C(=O)CN1CCC[C@@H]1C[C@@H](O)c1ccccc1	ZINC000072866994	541885471	/nfs/dbraw/zinc/88/54/71/541885471.db2.gz	FIIBWFJXTJTTKM-RTBURBONSA-N	0	1	354.454	2.230	10	30		FEEEMN
COc1cc(/C=N\NC(=S)NCc2ccccc2)cc([N+](=O)[O-])c1O	ZINC000034881591	522005040	/nfs/dbraw/zinc/00/50/40/522005040.db2.gz	LYFFDHOUTBTNIH-ZDLGFXPLSA-N	0	1	360.395	2.307	10	30		FEEEMN
C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000163094368	546142262	/nfs/dbraw/zinc/14/22/62/546142262.db2.gz	DLZANLLQWRXGRP-ZDUSSCGKSA-N	0	1	357.435	2.251	10	30		FEEEMN
C=CCSc1ccccc1NC(=O)CN1CCN(C[C@H](C)O)[C@H](C)C1	ZINC000247807416	549383571	/nfs/dbraw/zinc/38/35/71/549383571.db2.gz	TUHDYBYLGRYVLZ-CVEARBPZSA-N	0	1	363.527	2.290	10	30		FEEEMN
C=CCOc1cc(OC)ccc1C(=O)N1CCN(C[C@H](C)O)[C@H](CC)C1	ZINC000248621702	549469349	/nfs/dbraw/zinc/46/93/49/549469349.db2.gz	CXJSBOZVAOYFNS-JKSUJKDBSA-N	0	1	362.470	2.177	10	30		FEEEMN
CCCS(=O)(=O)N1CCC[C@H]1C(=O)[C@@H](C#N)c1nc2ccccc2o1	ZINC000066516841	670442384	/nfs/dbraw/zinc/44/23/84/670442384.db2.gz	LPTHUDJIICYZFP-OCCSQVGLSA-N	0	1	361.423	2.208	10	30		FEEEMN
CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cc(C#N)n(C)c2C)C1	ZINC000886068784	688199311	/nfs/dbraw/zinc/19/93/11/688199311.db2.gz	RFLAUEPLEJZSEG-GOSISDBHSA-N	0	1	357.483	2.207	10	30		FEEEMN
N#CCCN(CCC#N)C(=O)CN1CCC[C@@H]1C[C@H](O)c1ccccc1	ZINC000072866998	541884500	/nfs/dbraw/zinc/88/45/00/541884500.db2.gz	FIIBWFJXTJTTKM-MOPGFXCFSA-N	0	1	354.454	2.230	10	30		FEEEMN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(C[C@@H](O)CC)CC1	ZINC000173454934	546282212	/nfs/dbraw/zinc/28/22/12/546282212.db2.gz	ZRAUQHCILURBGA-SJORKVTESA-N	0	1	365.543	2.040	10	30		FEEEMN
COCCOc1ccc(C#N)cc1NC(=O)N1CCN2CCCC[C@@H]2C1	ZINC000184599306	547852110	/nfs/dbraw/zinc/85/21/10/547852110.db2.gz	HFHWMQSPFNXGMF-MRXNPFEDSA-N	0	1	358.442	2.285	10	30		FEEEMN
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000263140325	549880873	/nfs/dbraw/zinc/88/08/73/549880873.db2.gz	ZMRCIVASWDZHMC-UHFFFAOYSA-N	0	1	361.446	2.174	10	30		FEEEMN
CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)c1cccc(C#N)c1	ZINC000284565519	551578693	/nfs/dbraw/zinc/57/86/93/551578693.db2.gz	JPRWTNIWMDOCAC-PKOBYXMFSA-N	0	1	351.454	2.447	10	30		FEEEMN
Cc1cc(N2CCC[C@@H](N(C)Cc3nccc(N)n3)CC2)c(C#N)c(C)n1	ZINC000328651467	553802480	/nfs/dbraw/zinc/80/24/80/553802480.db2.gz	VXRKVAJOBBIXCK-MRXNPFEDSA-N	0	1	365.485	2.433	10	30		FEEEMN
C=CCOc1cc(C(=O)N2CCNCC2)cc(OCC=C)c1OCC=C	ZINC000005157864	210228680	/nfs/dbraw/zinc/22/86/80/210228680.db2.gz	VVUCKONKPHXDCQ-UHFFFAOYSA-N	0	1	358.438	2.426	10	30		FEEEMN
CC[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CCN1CCOC	ZINC000106114420	543201404	/nfs/dbraw/zinc/20/14/04/543201404.db2.gz	BEESZBJYQIHXLI-RBUKOAKNSA-N	0	1	372.513	2.364	10	30		FEEEMN
C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1	ZINC000189245933	328137170	/nfs/dbraw/zinc/13/71/70/328137170.db2.gz	AHBUTDLADQLYHV-MRXNPFEDSA-N	0	1	350.422	2.253	10	30		FEEEMN
C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1	ZINC000189245933	328137171	/nfs/dbraw/zinc/13/71/71/328137171.db2.gz	AHBUTDLADQLYHV-MRXNPFEDSA-N	0	1	350.422	2.253	10	30		FEEEMN
C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000157550683	545752774	/nfs/dbraw/zinc/75/27/74/545752774.db2.gz	OIMSMZWRLGSOPI-BXUZGUMPSA-N	0	1	373.400	2.434	10	30		FEEEMN
CCc1nc([C@@H]2CN(C(=O)N[C@H](CCC#N)c3ccccc3)CCO2)n[nH]1	ZINC000160547669	546050923	/nfs/dbraw/zinc/05/09/23/546050923.db2.gz	PSXVCBREMJTNDU-CVEARBPZSA-N	0	1	368.441	2.495	10	30		FEEEMN
C=CCCC[C@H](C)NC(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000181095923	547249960	/nfs/dbraw/zinc/24/99/60/547249960.db2.gz	SRJPRDKZCIAGOW-RBUKOAKNSA-N	0	1	366.550	2.168	10	30		FEEEMN
C=CCn1c(C)cc(C(=O)CN2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)c1C	ZINC000263582790	549910598	/nfs/dbraw/zinc/91/05/98/549910598.db2.gz	ZBGVVXZJTHMBOI-KRWDZBQOSA-N	0	1	361.486	2.345	10	30		FEEEMN
COc1cc(CN2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)ccc1C#N	ZINC000285617076	551783802	/nfs/dbraw/zinc/78/38/02/551783802.db2.gz	VSHGFHOVTKCZRT-IBGZPJMESA-N	0	1	355.442	2.223	10	30		FEEEMN
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H](Cn2cncn2)C1	ZINC000106172902	543212089	/nfs/dbraw/zinc/21/20/89/543212089.db2.gz	ZVDCZJVLMKZZHZ-NNVNDSJASA-N	0	1	372.517	2.309	10	30		FEEEMN
C/C(=N\O)c1cccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)c1	ZINC000111370361	543399766	/nfs/dbraw/zinc/39/97/66/543399766.db2.gz	YBRZKPVTDONBOC-RWVGPTSPSA-N	0	1	369.465	2.447	10	30		FEEEMN
CC[C@@H](O)CN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000153988557	544848460	/nfs/dbraw/zinc/84/84/60/544848460.db2.gz	BZZBYKIYRGEEGJ-MRXNPFEDSA-N	0	1	356.388	2.325	10	30		FEEEMN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](N2CCOCC2)C1	ZINC000173984035	546289279	/nfs/dbraw/zinc/28/92/79/546289279.db2.gz	YLMPZBFELIRVGT-SJORKVTESA-N	0	1	363.527	2.058	10	30		FEEEMN
C=CCCC[C@H](C)NC(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1	ZINC000181095940	547249704	/nfs/dbraw/zinc/24/97/04/547249704.db2.gz	SRJPRDKZCIAGOW-OALUTQOASA-N	0	1	366.550	2.168	10	30		FEEEMN
CC[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CCN1C[C@H](C)O	ZINC000246716919	549194954	/nfs/dbraw/zinc/19/49/54/549194954.db2.gz	DFFRYIWVDNQXHQ-PKOBYXMFSA-N	0	1	373.497	2.411	10	30		FEEEMN
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000247067790	549276155	/nfs/dbraw/zinc/27/61/55/549276155.db2.gz	OLCOIZWUIWVFGM-GJZGRUSLSA-N	0	1	372.494	2.326	10	30		FEEEMN
N#CCc1cccc(NC(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c1	ZINC000263182221	549884040	/nfs/dbraw/zinc/88/40/40/549884040.db2.gz	UJJWXOFAZNVDGL-UHFFFAOYSA-N	0	1	356.426	2.202	10	30		FEEEMN
CCOCCN1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1CC	ZINC000106117728	543202814	/nfs/dbraw/zinc/20/28/14/543202814.db2.gz	QKEFCXYKZKCHDH-UYAOXDASSA-N	0	1	370.497	2.096	10	30		FEEEMN
CCOCCN1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1CC	ZINC000106119855	543203983	/nfs/dbraw/zinc/20/39/83/543203983.db2.gz	JBPLXFPZGPUYFP-GOSISDBHSA-N	0	1	364.534	2.104	10	30		FEEEMN
Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)Nc3ccc(C#N)cc3)C2)n1	ZINC000106180682	543214734	/nfs/dbraw/zinc/21/47/34/543214734.db2.gz	OPZHUIGEMQBNAJ-QGZVFWFLSA-N	0	1	352.442	2.117	10	30		FEEEMN
COc1cc(C#N)ccc1OCCCC(=O)N1CCN2CCCC[C@@H]2C1	ZINC000195056178	548570382	/nfs/dbraw/zinc/57/03/82/548570382.db2.gz	NOJCDFNMEATPDZ-QGZVFWFLSA-N	0	1	357.454	2.423	10	30		FEEEMN
C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000246195065	549075248	/nfs/dbraw/zinc/07/52/48/549075248.db2.gz	OIMSMZWRLGSOPI-FZMZJTMJSA-N	0	1	373.400	2.434	10	30		FEEEMN
CC(C)(C)OC[C@@H](O)CN1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000153899103	544837762	/nfs/dbraw/zinc/83/77/62/544837762.db2.gz	IXQWFWLLCYZDIT-KRWDZBQOSA-N	0	1	368.481	2.404	10	30		FEEEMN
CCCCOC[C@H](O)CN1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000193375615	328371517	/nfs/dbraw/zinc/37/15/17/328371517.db2.gz	YHMACFDFVNASME-GOSISDBHSA-N	0	1	368.481	2.406	10	30		FEEEMN
CC(C)n1cc([C@]2(O)CCCN(CCOc3ccc(C#N)cc3)C2)nn1	ZINC000284528233	551570131	/nfs/dbraw/zinc/57/01/31/551570131.db2.gz	FYVQQCVTJUVESB-IBGZPJMESA-N	0	1	355.442	2.093	10	30		FEEEMN
CC[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CCN1CCOC	ZINC000106114769	543201380	/nfs/dbraw/zinc/20/13/80/543201380.db2.gz	YQPVAUCKWWACND-INIZCTEOSA-N	0	1	364.877	2.193	10	30		FEEEMN
CC[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCN1CCOC	ZINC000106114274	543202014	/nfs/dbraw/zinc/20/20/14/543202014.db2.gz	DTJDFVIJBSENTE-GOEBONIOSA-N	0	1	362.474	2.138	10	30		FEEEMN
CCOCCN1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1CC	ZINC000247548331	549355644	/nfs/dbraw/zinc/35/56/44/549355644.db2.gz	DSXKPPVMNHENKF-AEFFLSMTSA-N	0	1	358.486	2.318	10	30		FEEEMN
C[C@H](C(=O)Nc1ccccc1C#N)N(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000247557448	549356090	/nfs/dbraw/zinc/35/60/90/549356090.db2.gz	FRMCDLJLHLQPDE-WBVHZDCISA-N	0	1	364.453	2.276	10	30		FEEEMN
CCOCCN1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1CC	ZINC000246410038	549126995	/nfs/dbraw/zinc/12/69/95/549126995.db2.gz	JWXMWCZIGJBBFK-RTBURBONSA-N	0	1	359.470	2.205	10	30		FEEEMN
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000247067773	549276094	/nfs/dbraw/zinc/27/60/94/549276094.db2.gz	OLCOIZWUIWVFGM-CABCVRRESA-N	0	1	372.494	2.326	10	30		FEEEMN
N#Cc1ccc(N2CC[C@H](N3C[C@@H](c4ccsc4)[C@H](CO)C3)C2=O)cc1	ZINC000249544724	549602339	/nfs/dbraw/zinc/60/23/39/549602339.db2.gz	FXXILOMEKVWONP-WDSOQIARSA-N	0	1	367.474	2.433	10	30		FEEEMN
C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1	ZINC000263493025	549905385	/nfs/dbraw/zinc/90/53/85/549905385.db2.gz	RVSWVBUGJHHRMC-UHFFFAOYSA-N	0	1	370.453	2.193	10	30		FEEEMN
C#C[C@H](NC(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1)c1ccc(Cl)cc1	ZINC000263512910	672935205	/nfs/dbraw/zinc/93/52/05/672935205.db2.gz	ZLEFAMWSPKSSOZ-GPANFISMSA-N	0	1	363.845	2.251	10	30		FEEEMN
C#CC(C)(C)NC(=O)C(Br)(Br)Br	ZINC000103284697	222332152	/nfs/dbraw/zinc/33/21/52/222332152.db2.gz	KOVYPEWBMQDWLL-UHFFFAOYSA-N	0	1	361.859	2.353	10	30		FEEEMN
COc1cc(C#N)ccc1OCCN1CCC(N(C)c2cccnn2)CC1	ZINC000157929542	545801836	/nfs/dbraw/zinc/80/18/36/545801836.db2.gz	ODDOERJZQFNMNY-UHFFFAOYSA-N	0	1	367.453	2.336	10	30		FEEEMN
C=CCSc1ccccc1NC(=O)CN1CCO[C@H](c2n[nH]c(C)n2)C1	ZINC000173661212	546284333	/nfs/dbraw/zinc/28/43/33/546284333.db2.gz	BMPVHMHKPZZLMB-HNNXBMFYSA-N	0	1	373.482	2.403	10	30		FEEEMN
C=CCn1c(=O)c2ccc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2[n-]c1=S	ZINC000195317080	548620551	/nfs/dbraw/zinc/62/05/51/548620551.db2.gz	YBKZPJIGQQTOIW-AWEZNQCLSA-N	0	1	370.478	2.165	10	30		FEEEMN
CC[C@@H]1CN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CCN1C[C@H](C)O	ZINC000246720434	549195483	/nfs/dbraw/zinc/19/54/83/549195483.db2.gz	DOTSPLWZKIGEEJ-ILZDJORESA-N	0	1	373.497	2.265	10	30		FEEEMN
CCc1nnc(NC[C@H](O)CN2CCc3ccccc3C2)c(C#N)c1CC	ZINC000301625125	553666747	/nfs/dbraw/zinc/66/67/47/553666747.db2.gz	POWWMNGGSUTJAQ-KRWDZBQOSA-N	0	1	365.481	2.304	10	30		FEEEMN
CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cc(C#N)n(C)c2C)C1	ZINC000886068787	688199327	/nfs/dbraw/zinc/19/93/27/688199327.db2.gz	RFLAUEPLEJZSEG-SFHVURJKSA-N	0	1	357.483	2.207	10	30		FEEEMN
C=CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCN(C)CC1	ZINC000226278110	132374830	/nfs/dbraw/zinc/37/48/30/132374830.db2.gz	BKMCJYIFVQIBER-UHFFFAOYSA-N	0	1	371.359	2.282	10	30		FEEEMN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@H](C)C1	ZINC000106098677	543195291	/nfs/dbraw/zinc/19/52/91/543195291.db2.gz	DZUCRHIVSKOANZ-ZACQAIPSSA-N	0	1	365.543	2.038	10	30		FEEEMN
CC[C@H](O)CN1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1	ZINC000174091992	546291529	/nfs/dbraw/zinc/29/15/29/546291529.db2.gz	POVBFIJTQCXPAP-ICSRJNTNSA-N	0	1	372.513	2.019	10	30		FEEEMN
Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1	ZINC000106098618	543195719	/nfs/dbraw/zinc/19/57/19/543195719.db2.gz	QMYCVCHYIWFGFU-QRVBRYPASA-N	0	1	372.513	2.017	10	30		FEEEMN
Cc1nc([C@H]2CN(C(=O)CCCCOc3cccc(C#N)c3)CCO2)n[nH]1	ZINC000173525231	327263798	/nfs/dbraw/zinc/26/37/98/327263798.db2.gz	IKQOIZKZFQCNID-QGZVFWFLSA-N	0	1	369.425	2.134	10	30		FEEEMN
C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000247775166	549378396	/nfs/dbraw/zinc/37/83/96/549378396.db2.gz	QHZVYCNULAMECL-YJBOKZPZSA-N	0	1	364.453	2.276	10	30		FEEEMN
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H](Cn2cncn2)C1	ZINC000247926387	549391882	/nfs/dbraw/zinc/39/18/82/549391882.db2.gz	ZVDCZJVLMKZZHZ-AGYKMIKPSA-N	0	1	372.517	2.309	10	30		FEEEMN
CC(=O)NCc1cc(O[C@@H]2CCN(Cc3ccc(C#N)s3)C2)ccn1	ZINC000886072093	688199403	/nfs/dbraw/zinc/19/94/03/688199403.db2.gz	PACHGOIDZNEZBO-MRXNPFEDSA-N	0	1	356.451	2.304	10	30		FEEEMN
COc1cc(C=Nn2c(=S)[nH]nc2C(F)(F)F)cc(OC)c1OC	ZINC000034863953	263397748	/nfs/dbraw/zinc/39/77/48/263397748.db2.gz	BVXJUZARXFRZHU-FMQZQXMHSA-N	0	1	362.333	2.494	10	30		FEEEMN
C[C@@H](C(=O)Nc1ccccc1C#N)N(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000247557439	549356891	/nfs/dbraw/zinc/35/68/91/549356891.db2.gz	FRMCDLJLHLQPDE-RDJZCZTQSA-N	0	1	364.453	2.276	10	30		FEEEMN
CC[C@H](O)CN1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1	ZINC000174092017	546291902	/nfs/dbraw/zinc/29/19/02/546291902.db2.gz	POVBFIJTQCXPAP-QUCCMNQESA-N	0	1	372.513	2.019	10	30		FEEEMN
C[C@@H]1CN(Cc2ccc(C#N)cc2Br)C[C@@H]1N1CCOCC1	ZINC000181141686	547256858	/nfs/dbraw/zinc/25/68/58/547256858.db2.gz	CRSSXGAJPKVETC-DYVFJYSZSA-N	0	1	364.287	2.473	10	30		FEEEMN
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H](Cn2cncn2)C1	ZINC000247926392	549391532	/nfs/dbraw/zinc/39/15/32/549391532.db2.gz	ZVDCZJVLMKZZHZ-SFANZJOMSA-N	0	1	372.517	2.309	10	30		FEEEMN
Cc1ccc(Nc2ncnc(N(CCC#N)CCC#N)c2[N+](=O)[O-])nc1	ZINC000040618185	205074408	/nfs/dbraw/zinc/07/44/08/205074408.db2.gz	NWWGAIQDCKENNW-UHFFFAOYSA-N	0	1	352.358	2.466	10	30		FEEEMN
CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000125747221	543899365	/nfs/dbraw/zinc/89/93/65/543899365.db2.gz	FWGPEKITVBTASG-CHWSQXEVSA-N	0	1	355.410	2.084	10	30		FEEEMN
CCc1nc([C@H]2CN(C(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)n[nH]1	ZINC000153097043	544732612	/nfs/dbraw/zinc/73/26/12/544732612.db2.gz	VSGJLSAFEWFXEF-CYBMUJFWSA-N	0	1	360.805	2.498	10	30		FEEEMN
Cc1nc([C@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)CCO2)n[nH]1	ZINC000154020404	544854841	/nfs/dbraw/zinc/85/48/41/544854841.db2.gz	NJTQZKRSGBPVSS-OAHLLOKOSA-N	0	1	366.343	2.437	10	30		FEEEMN
CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000246460365	549137438	/nfs/dbraw/zinc/13/74/38/549137438.db2.gz	FWGPEKITVBTASG-STQMWFEESA-N	0	1	355.410	2.084	10	30		FEEEMN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000249566773	549605908	/nfs/dbraw/zinc/60/59/08/549605908.db2.gz	NFEQLTGNCVLQDK-PVAVHDDUSA-N	0	1	361.511	2.487	10	30		FEEEMN
CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(CCOc2ccccc2C#N)C1	ZINC000284887263	551659033	/nfs/dbraw/zinc/65/90/33/551659033.db2.gz	RAUOINAPTQMQEU-CVEARBPZSA-N	0	1	353.426	2.395	10	30		FEEEMN
C=CCNC(=O)c1ccc(NC(=O)N2CCN(CCOC)[C@H](CC)C2)cc1	ZINC000117446860	543631994	/nfs/dbraw/zinc/63/19/94/543631994.db2.gz	TZZOANLBHXJFQE-GOSISDBHSA-N	0	1	374.485	2.177	10	30		FEEEMN
CC[C@H](O)CN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000153988482	544848203	/nfs/dbraw/zinc/84/82/03/544848203.db2.gz	BZZBYKIYRGEEGJ-INIZCTEOSA-N	0	1	356.388	2.325	10	30		FEEEMN
CC[C@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCN1CCOC	ZINC000247548458	549355519	/nfs/dbraw/zinc/35/55/19/549355519.db2.gz	DTJDFVIJBSENTE-ZBFHGGJFSA-N	0	1	362.474	2.138	10	30		FEEEMN
C=CCn1c(C)cc(C(=O)CN2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)c1C	ZINC000263582791	549910239	/nfs/dbraw/zinc/91/02/39/549910239.db2.gz	ZBGVVXZJTHMBOI-QGZVFWFLSA-N	0	1	361.486	2.345	10	30		FEEEMN
CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)NC[C@H]1CCCO1	ZINC000328621195	553797428	/nfs/dbraw/zinc/79/74/28/553797428.db2.gz	HNVAMJXOCCCKED-NWDGAFQWSA-N	0	1	360.380	2.489	10	30		FEEEMN
CC[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CCN1CCOC	ZINC000173679917	327276000	/nfs/dbraw/zinc/27/60/00/327276000.db2.gz	YVLJYFKKOGOBIQ-KRWDZBQOSA-N	0	1	355.442	2.151	10	30		FEEEMN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@H](C)C1	ZINC000247551056	549355221	/nfs/dbraw/zinc/35/52/21/549355221.db2.gz	DZUCRHIVSKOANZ-IKGGRYGDSA-N	0	1	365.543	2.038	10	30		FEEEMN
COc1ccc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1OCCCC#N	ZINC000180117215	547054802	/nfs/dbraw/zinc/05/48/02/547054802.db2.gz	FLHPLAVINQZTFI-GOSISDBHSA-N	0	1	371.441	2.378	10	30		FEEEMN
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000253549670	549694427	/nfs/dbraw/zinc/69/44/27/549694427.db2.gz	VBUXXHAKCORPNN-HOTGVXAUSA-N	0	1	356.470	2.294	10	30		FEEEMN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000119708775	671906477	/nfs/dbraw/zinc/90/64/77/671906477.db2.gz	DLZPMMBKLDQZEF-CABCVRRESA-N	0	1	350.484	2.330	10	30		FEEEMN
CN(CC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CCCN(c2cccnn2)C1	ZINC000106079468	543191557	/nfs/dbraw/zinc/19/15/57/543191557.db2.gz	KAKMQFWAEQLZRQ-KRWDZBQOSA-N	0	1	370.501	2.062	10	30		FEEEMN
CC(C)(O)CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1	ZINC000120984490	543687349	/nfs/dbraw/zinc/68/73/49/543687349.db2.gz	VCQYXWRRUCQALA-HNNXBMFYSA-N	0	1	352.276	2.402	10	30		FEEEMN
C[C@H](O)CN1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H]1C	ZINC000246721072	549194985	/nfs/dbraw/zinc/19/49/85/549194985.db2.gz	LKDUAFQEENATBF-IRXDYDNUSA-N	0	1	359.470	2.021	10	30		FEEEMN
C=CCOc1ccc(C(=O)N2CCN(C[C@H](C)O)[C@@H](CC)C2)cc1OC	ZINC000247031333	549269276	/nfs/dbraw/zinc/26/92/76/549269276.db2.gz	XHWQEDOOXDFMJJ-RDJZCZTQSA-N	0	1	362.470	2.177	10	30		FEEEMN
CCOCCN1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1CC	ZINC000247775287	549380040	/nfs/dbraw/zinc/38/00/40/549380040.db2.gz	QKEXQJLTKVIFSU-VQIMIIECSA-N	0	1	358.486	2.318	10	30		FEEEMN
C=CCOc1ccccc1CNC(=O)N1CCN(C[C@H](C)O)[C@@H](CC)C1	ZINC000248501440	549451921	/nfs/dbraw/zinc/45/19/21/549451921.db2.gz	TXJFGUPRJIZCKZ-WMZOPIPTSA-N	0	1	361.486	2.238	10	30		FEEEMN
CN1C(=C(O)Nc2ccccn2)C(=O)c2sc(Cl)cc2S1(=O)=O	ZINC000005318420	204202257	/nfs/dbraw/zinc/20/22/57/204202257.db2.gz	OXROWJKCGCOJDO-RAXLEYEMSA-N	0	1	371.827	2.453	10	30		FEEEMN
C=CCSc1ccccc1NC(=O)CN1CCN(C[C@H](O)CC)CC1	ZINC000118856792	543660211	/nfs/dbraw/zinc/66/02/11/543660211.db2.gz	RHQJSXNJILYDDX-MRXNPFEDSA-N	0	1	363.527	2.292	10	30		FEEEMN
CC[C@@H](O)CN1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1	ZINC000174092030	546291656	/nfs/dbraw/zinc/29/16/56/546291656.db2.gz	POVBFIJTQCXPAP-UYAOXDASSA-N	0	1	372.513	2.019	10	30		FEEEMN
C[C@@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1	ZINC000046973253	540281283	/nfs/dbraw/zinc/28/12/83/540281283.db2.gz	XMCIYNDYFNFVBE-VQIMIIECSA-N	0	1	356.470	2.343	10	30		FEEEMN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@@H](C)C1	ZINC000106098680	543195306	/nfs/dbraw/zinc/19/53/06/543195306.db2.gz	DZUCRHIVSKOANZ-BBWFWOEESA-N	0	1	365.543	2.038	10	30		FEEEMN
CC[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CCN1CCOC	ZINC000106114766	543201317	/nfs/dbraw/zinc/20/13/17/543201317.db2.gz	YQPVAUCKWWACND-MRXNPFEDSA-N	0	1	364.877	2.193	10	30		FEEEMN
CC[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C#N)CCN1CCOC	ZINC000177132062	546550646	/nfs/dbraw/zinc/55/06/46/546550646.db2.gz	GSKDIQSHOFYSNM-OAHLLOKOSA-N	0	1	364.515	2.218	10	30		FEEEMN
CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1	ZINC000263466783	549903313	/nfs/dbraw/zinc/90/33/13/549903313.db2.gz	KGQHBSOATFIDOJ-UHFFFAOYSA-N	0	1	372.469	2.417	10	30		FEEEMN
CC(C)n1cc([C@@]2(O)CCCN(CCOc3ccc(C#N)cc3)C2)nn1	ZINC000284528239	551570285	/nfs/dbraw/zinc/57/02/85/551570285.db2.gz	FYVQQCVTJUVESB-LJQANCHMSA-N	0	1	355.442	2.093	10	30		FEEEMN
CCOCCN1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1CC	ZINC000106119857	543203622	/nfs/dbraw/zinc/20/36/22/543203622.db2.gz	JBPLXFPZGPUYFP-SFHVURJKSA-N	0	1	364.534	2.104	10	30		FEEEMN
C=CCSc1ccccc1NC(=O)CN1CCN(C[C@@H](O)CC)CC1	ZINC000118856790	543659945	/nfs/dbraw/zinc/65/99/45/543659945.db2.gz	RHQJSXNJILYDDX-INIZCTEOSA-N	0	1	363.527	2.292	10	30		FEEEMN
C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1	ZINC000189245900	328137180	/nfs/dbraw/zinc/13/71/80/328137180.db2.gz	AHBUTDLADQLYHV-INIZCTEOSA-N	0	1	350.422	2.253	10	30		FEEEMN
C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1	ZINC000189245900	328137181	/nfs/dbraw/zinc/13/71/81/328137181.db2.gz	AHBUTDLADQLYHV-INIZCTEOSA-N	0	1	350.422	2.253	10	30		FEEEMN
C=CCCC[C@@H](C)NC(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1	ZINC000245932652	549023829	/nfs/dbraw/zinc/02/38/29/549023829.db2.gz	SRJPRDKZCIAGOW-MOPGFXCFSA-N	0	1	366.550	2.168	10	30		FEEEMN
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1	ZINC000263003292	549870425	/nfs/dbraw/zinc/87/04/25/549870425.db2.gz	GKHJJEKSKICFTJ-UHFFFAOYSA-N	0	1	374.441	2.404	10	30		FEEEMN
N#Cc1cc(I)c(I)cc1O	ZINC000307450502	553751940	/nfs/dbraw/zinc/75/19/40/553751940.db2.gz	PHZXTGKCOWIYNK-UHFFFAOYSA-N	0	1	370.915	2.473	10	30		FEEEMN
C=CCn1c(C2CC2)nn(CN2CCN(CCOC)[C@@H](C)C2)c1=S	ZINC000117321748	670913965	/nfs/dbraw/zinc/91/39/65/670913965.db2.gz	FVSUIMZAKBLSMX-AWEZNQCLSA-N	0	1	351.520	2.087	10	30		FEEEMN
CC(=O)NCc1cc(O[C@@H]2CCN(Cc3cc(C#N)cs3)C2)ccn1	ZINC000886072146	688199419	/nfs/dbraw/zinc/19/94/19/688199419.db2.gz	WJPWLUCHLWHUGX-QGZVFWFLSA-N	0	1	356.451	2.304	10	30		FEEEMN
C[C@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1	ZINC000046973247	540281138	/nfs/dbraw/zinc/28/11/38/540281138.db2.gz	XMCIYNDYFNFVBE-LPHOPBHVSA-N	0	1	356.470	2.343	10	30		FEEEMN
C=CCSc1ccccc1NC(=O)CN1CCN(C[C@@H](C)O)[C@H](C)C1	ZINC000106100328	543196077	/nfs/dbraw/zinc/19/60/77/543196077.db2.gz	TUHDYBYLGRYVLZ-HZPDHXFCSA-N	0	1	363.527	2.290	10	30		FEEEMN
Cc1nc(C)n(C[C@H]2CCCN(CC(=O)Nc3cccc(C#N)c3)C2)n1	ZINC000106181174	543214225	/nfs/dbraw/zinc/21/42/25/543214225.db2.gz	QTVQPXJIPAVVJY-KRWDZBQOSA-N	0	1	352.442	2.117	10	30		FEEEMN
C#CCOc1ccc(F)cc1NC(=O)N1CCO[C@H](c2n[nH]c(CC)n2)C1	ZINC000132432991	544231241	/nfs/dbraw/zinc/23/12/41/544231241.db2.gz	RSDRUEIKMLHIES-HNNXBMFYSA-N	0	1	373.388	2.124	10	30		FEEEMN
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](CN(C)C)c1ccccc1	ZINC000178412854	327583299	/nfs/dbraw/zinc/58/32/99/327583299.db2.gz	HGIRORSCUXVUOC-GOSISDBHSA-N	0	1	350.422	2.224	10	30		FEEEMN
CCOCCN1CCN(C(=O)NCCOc2ccc(C#N)cc2)C[C@H]1CC	ZINC000175979425	546384569	/nfs/dbraw/zinc/38/45/69/546384569.db2.gz	CHZSBFJADFIVEG-GOSISDBHSA-N	0	1	374.485	2.079	10	30		FEEEMN
COc1ccc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)cc1OCCCC#N	ZINC000180117197	547054862	/nfs/dbraw/zinc/05/48/62/547054862.db2.gz	FLHPLAVINQZTFI-SFHVURJKSA-N	0	1	371.441	2.378	10	30		FEEEMN
CC[C@@H]1CN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CCN1C[C@H](C)O	ZINC000246720426	549195903	/nfs/dbraw/zinc/19/59/03/549195903.db2.gz	DOTSPLWZKIGEEJ-HQRMLTQVSA-N	0	1	373.497	2.265	10	30		FEEEMN
C=CCN(Cc1cccs1)C(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1	ZINC000263456125	549902339	/nfs/dbraw/zinc/90/23/39/549902339.db2.gz	HKMLPHBGJYPHDO-UHFFFAOYSA-N	0	1	351.472	2.383	10	30		FEEEMN
CNC(=O)[C@H](NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C(C)C	ZINC000183685764	672476951	/nfs/dbraw/zinc/47/69/51/672476951.db2.gz	PMPBGSOGJMHGQF-QGZVFWFLSA-N	0	1	364.877	2.255	10	30		FEEEMN
N#Cc1ccccc1N1CCN(C[C@@H](O)COCc2ccccc2)CC1	ZINC000101587237	543035451	/nfs/dbraw/zinc/03/54/51/543035451.db2.gz	XBUNBKPQZFNOCQ-HXUWFJFHSA-N	0	1	351.450	2.258	10	30		FEEEMN
CC[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1CCOC	ZINC000106116287	543202806	/nfs/dbraw/zinc/20/28/06/543202806.db2.gz	PHCCKIRIGAZWFV-MRXNPFEDSA-N	0	1	364.877	2.193	10	30		FEEEMN
CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1	ZINC000108611176	543297056	/nfs/dbraw/zinc/29/70/56/543297056.db2.gz	JCWBTCQKTVIEOL-LSDHHAIUSA-N	0	1	374.510	2.477	10	30		FEEEMN
C[C@@H](O)C[N@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H]1C	ZINC000174314526	327318673	/nfs/dbraw/zinc/31/86/73/327318673.db2.gz	LKDUAFQEENATBF-DLBZAZTESA-N	0	1	359.470	2.021	10	30		FEEEMN
C[C@@H](O)CN1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H]1C	ZINC000174314526	327318674	/nfs/dbraw/zinc/31/86/74/327318674.db2.gz	LKDUAFQEENATBF-DLBZAZTESA-N	0	1	359.470	2.021	10	30		FEEEMN
C[C@@H](O)C[N@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C	ZINC000159912632	545991576	/nfs/dbraw/zinc/99/15/76/545991576.db2.gz	MVQJSGMLTIYOLH-LSDHHAIUSA-N	0	1	356.388	2.324	10	30		FEEEMN
CC[C@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CCN1CCOC	ZINC000246946043	549248105	/nfs/dbraw/zinc/24/81/05/549248105.db2.gz	BEESZBJYQIHXLI-MOPGFXCFSA-N	0	1	372.513	2.364	10	30		FEEEMN
CCc1nnc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c(C#N)c1CC	ZINC000263548225	549908617	/nfs/dbraw/zinc/90/86/17/549908617.db2.gz	ISIKMSKPZQKADY-UHFFFAOYSA-N	0	1	357.458	2.213	10	30		FEEEMN
N#Cc1c(I)ccc(O)c1I	ZINC000307621600	553751760	/nfs/dbraw/zinc/75/17/60/553751760.db2.gz	JYLMRGUOJNITPV-UHFFFAOYSA-N	0	1	370.915	2.473	10	30		FEEEMN
Cc1cc(N2CCC[C@H](N(C)Cc3nccc(N)n3)CC2)c(C#N)c(C)n1	ZINC000328651466	553802512	/nfs/dbraw/zinc/80/25/12/553802512.db2.gz	VXRKVAJOBBIXCK-INIZCTEOSA-N	0	1	365.485	2.433	10	30		FEEEMN
CNC(=O)[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C	ZINC000183660525	672476406	/nfs/dbraw/zinc/47/64/06/672476406.db2.gz	AQNKZEGFUCHCLB-CXAGYDPISA-N	0	1	362.499	2.237	10	30		FEEEMN
N#CCCN(CCC#N)C(=O)CN1CCC[C@H]1C[C@@H](O)c1ccccc1	ZINC000072866987	541884950	/nfs/dbraw/zinc/88/49/50/541884950.db2.gz	FIIBWFJXTJTTKM-RBUKOAKNSA-N	0	1	354.454	2.230	10	30		FEEEMN
N#Cc1cc(O)cc(I)c1I	ZINC000139578431	544403357	/nfs/dbraw/zinc/40/33/57/544403357.db2.gz	WHPYKSBNJVOMAN-UHFFFAOYSA-N	0	1	370.915	2.473	10	30		FEEEMN
C=CCOc1ccccc1CNC(=O)N1CCO[C@@H](c2n[nH]c(CC)n2)C1	ZINC000139995010	544406157	/nfs/dbraw/zinc/40/61/57/544406157.db2.gz	ITDMWLBMTJUEFK-MRXNPFEDSA-N	0	1	371.441	2.215	10	30		FEEEMN
C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000157550837	545752462	/nfs/dbraw/zinc/75/24/62/545752462.db2.gz	OIMSMZWRLGSOPI-SMDDNHRTSA-N	0	1	373.400	2.434	10	30		FEEEMN
CN(C)C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CCO1	ZINC000174851381	546304511	/nfs/dbraw/zinc/30/45/11/546304511.db2.gz	YKYZNJZKUWWPEW-MRXNPFEDSA-N	0	1	354.454	2.000	10	30		FEEEMN
C#CCN1CCC(C(=O)N2CCN(c3nc4cc(C)ccc4o3)CC2)CC1	ZINC000112264714	543436959	/nfs/dbraw/zinc/43/69/59/543436959.db2.gz	RGABXYLJMKMBRV-UHFFFAOYSA-N	0	1	366.465	2.130	10	30		FEEEMN
CCCCOC[C@@H](O)CN1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000193375626	328371546	/nfs/dbraw/zinc/37/15/46/328371546.db2.gz	YHMACFDFVNASME-SFHVURJKSA-N	0	1	368.481	2.406	10	30		FEEEMN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(C[C@H](O)CC)CC1	ZINC000173454947	546282018	/nfs/dbraw/zinc/28/20/18/546282018.db2.gz	ZRAUQHCILURBGA-IAGOWNOFSA-N	0	1	365.543	2.040	10	30		FEEEMN
CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)NC[C@H]1CCOC1	ZINC000328636637	553800275	/nfs/dbraw/zinc/80/02/75/553800275.db2.gz	VPRVEHHDUTZYCI-NEPJUHHUSA-N	0	1	360.380	2.347	10	30		FEEEMN
CCN1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000108611186	543297988	/nfs/dbraw/zinc/29/79/88/543297988.db2.gz	CDESZXZNOPNRAK-AWEZNQCLSA-N	0	1	360.483	2.231	10	30		FEEEMN
C=CCOc1ccc(C(=O)N2CCN(C[C@H](C)O)[C@H](CC)C2)cc1OC	ZINC000247031311	549269051	/nfs/dbraw/zinc/26/90/51/549269051.db2.gz	XHWQEDOOXDFMJJ-DOTOQJQBSA-N	0	1	362.470	2.177	10	30		FEEEMN
C=CCSc1ccccc1NC(=O)CN1CCN(C[C@H](C)O)[C@@H](C)C1	ZINC000247807419	549383701	/nfs/dbraw/zinc/38/37/01/549383701.db2.gz	TUHDYBYLGRYVLZ-HOTGVXAUSA-N	0	1	363.527	2.290	10	30		FEEEMN
CCOc1ccc(C#N)cc1NC(=O)NC1CC([N@@H+](CC)CC(=O)[O-])C1	ZINC000263492767	549905400	/nfs/dbraw/zinc/90/54/00/549905400.db2.gz	POOMXCJEAFVNJA-UHFFFAOYSA-N	0	1	360.414	2.016	10	30		FEEEMN
CC(C)n1cc([C@@]2(O)CCCN(CCOc3cccc(C#N)c3)C2)nn1	ZINC000284490209	551560884	/nfs/dbraw/zinc/56/08/84/551560884.db2.gz	CKMREFWBJUBMAY-LJQANCHMSA-N	0	1	355.442	2.093	10	30		FEEEMN
CNC(=O)[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C	ZINC000183660489	672475520	/nfs/dbraw/zinc/47/55/20/672475520.db2.gz	AQNKZEGFUCHCLB-SUMWQHHRSA-N	0	1	362.499	2.237	10	30		FEEEMN
C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2	ZINC000128393748	544049846	/nfs/dbraw/zinc/04/98/46/544049846.db2.gz	QSHHEEZBLITMLM-CQSZACIVSA-N	0	1	372.446	2.454	10	30		FEEEMN
C=CCOc1cc(OC)ccc1C(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1	ZINC000130642864	544159076	/nfs/dbraw/zinc/15/90/76/544159076.db2.gz	CXJSBOZVAOYFNS-CVEARBPZSA-N	0	1	362.470	2.177	10	30		FEEEMN
Cc1nc([C@@H]2CN(Cc3cc(C#N)ccc3Br)CCO2)n[nH]1	ZINC000191799696	328282482	/nfs/dbraw/zinc/28/24/82/328282482.db2.gz	VULPFGSTTXLGNX-AWEZNQCLSA-N	0	1	362.231	2.321	10	30		FEEEMN
C[C@@H](O)C[N@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H]1C	ZINC000174314514	327319051	/nfs/dbraw/zinc/31/90/51/327319051.db2.gz	LKDUAFQEENATBF-IAGOWNOFSA-N	0	1	359.470	2.021	10	30		FEEEMN
C[C@@H](O)CN1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H]1C	ZINC000174314514	327319052	/nfs/dbraw/zinc/31/90/52/327319052.db2.gz	LKDUAFQEENATBF-IAGOWNOFSA-N	0	1	359.470	2.021	10	30		FEEEMN
CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000174768169	327349621	/nfs/dbraw/zinc/34/96/21/327349621.db2.gz	ZYPPCMFZCJXIAA-CYBMUJFWSA-N	0	1	368.359	2.116	10	30		FEEEMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(O)cc2)cc1	ZINC000015919899	526025524	/nfs/dbraw/zinc/02/55/24/526025524.db2.gz	YCKRXWYUJKLKEX-QGZVFWFLSA-N	0	1	353.374	2.271	10	30		FEEEMN
C=CCSc1ccccc1NC(=O)CN1CCO[C@@H](c2n[nH]c(C)n2)C1	ZINC000173661227	546284890	/nfs/dbraw/zinc/28/48/90/546284890.db2.gz	BMPVHMHKPZZLMB-OAHLLOKOSA-N	0	1	373.482	2.403	10	30		FEEEMN
C=CCOc1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@H](CC)C2)cc1OC	ZINC000174642385	546300875	/nfs/dbraw/zinc/30/08/75/546300875.db2.gz	XHWQEDOOXDFMJJ-NVXWUHKLSA-N	0	1	362.470	2.177	10	30		FEEEMN
N#Cc1ccc2ncc(CNCc3n[nH]c(COc4ccccc4)n3)n2c1	ZINC000185759244	548031935	/nfs/dbraw/zinc/03/19/35/548031935.db2.gz	MFRBIXWGGXZDMS-UHFFFAOYSA-N	0	1	359.393	2.193	10	30		FEEEMN
COc1ccc(C#N)cc1NC(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1	ZINC000263489580	549904400	/nfs/dbraw/zinc/90/44/00/549904400.db2.gz	ODUAHHJYGPYCSN-UHFFFAOYSA-N	0	1	372.425	2.016	10	30		FEEEMN
N#Cc1cccc(N2CCN(CCCn3ncc4ccccc4c3=O)CC2)c1	ZINC000035080186	132378099	/nfs/dbraw/zinc/37/80/99/132378099.db2.gz	QLNDWJKLOPAQIN-UHFFFAOYSA-N	0	1	373.460	2.480	10	30		FEEEMN
CCN(CC)S(=O)(=O)c1ccc(NN=Cc2ccc([N+](=O)[O-])o2)nc1	ZINC000009661883	263362181	/nfs/dbraw/zinc/36/21/81/263362181.db2.gz	HPHXRNXZVAGZPA-CXUHLZMHSA-N	0	1	367.387	2.059	10	30		FEEEMN
Cc1c(C#N)cccc1NC(=O)NC[C@H](O)CN1CCc2ccccc2C1	ZINC000178577284	546814378	/nfs/dbraw/zinc/81/43/78/546814378.db2.gz	IBCWWMUIXGSORL-IBGZPJMESA-N	0	1	364.449	2.407	10	30		FEEEMN
COCCN1CCN(Cc2ccc(C#N)cc2Br)C[C@@H]1C	ZINC000181094642	547248779	/nfs/dbraw/zinc/24/87/79/547248779.db2.gz	AQDXHTQCIHPMAM-ZDUSSCGKSA-N	0	1	352.276	2.473	10	30		FEEEMN
CC[C@@H]1CN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CCN1C[C@@H](C)O	ZINC000246720441	549195853	/nfs/dbraw/zinc/19/58/53/549195853.db2.gz	DOTSPLWZKIGEEJ-POAQFYNOSA-N	0	1	373.497	2.265	10	30		FEEEMN
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H](CCC#N)c2ccccc2)C1	ZINC000263253361	549889671	/nfs/dbraw/zinc/88/96/71/549889671.db2.gz	PFYCQEHSLSCZKQ-JCYILVPMSA-N	0	1	358.442	2.268	10	30		FEEEMN
Cc1ccc(C#N)cc1NC(=O)NC[C@H](O)CN1CCc2ccccc2C1	ZINC000069607023	541699040	/nfs/dbraw/zinc/69/90/40/541699040.db2.gz	YLYUPKLQZPXYHZ-IBGZPJMESA-N	0	1	364.449	2.407	10	30		FEEEMN
Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)N(C)C3(C#N)CCCCC3)C2)n1	ZINC000106181800	543214694	/nfs/dbraw/zinc/21/46/94/543214694.db2.gz	JJWBUCCJDCMEFE-GOSISDBHSA-N	0	1	372.517	2.292	10	30		FEEEMN
COCc1cc(C)nc(N=NCc2cc(OC)c(O)c([N+](=O)[O-])c2)c1C#N	ZINC000059640623	522917403	/nfs/dbraw/zinc/91/74/03/522917403.db2.gz	NKTSUJGSHFWNNL-UFWORHAWSA-N	0	1	371.353	2.477	10	30		FEEEMN
CCOCCN1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@@H]1CC	ZINC000172134613	546238397	/nfs/dbraw/zinc/23/83/97/546238397.db2.gz	HGKYRGFOHHHZMF-KRWDZBQOSA-N	0	1	362.449	2.340	10	30		FEEEMN
CC[N@@H+](CC(=O)[O-])C1CC(Nc2ncc(Br)cc2C#N)C1	ZINC000263553795	549908357	/nfs/dbraw/zinc/90/83/57/549908357.db2.gz	MUKUDJYZXYCFEB-UHFFFAOYSA-N	0	1	353.220	2.065	10	30		FEEEMN
CN(C)c1ccc(N[C@@H]2CCCN(C([O-])=[NH+]CCn3ccnc3)CC2)cn1	ZINC000328630146	553798945	/nfs/dbraw/zinc/79/89/45/553798945.db2.gz	JBNPCGPLQXDMDV-MRXNPFEDSA-N	0	1	371.489	2.225	10	30		FEEEMN
CC(=O)NCc1cc(O[C@H]2CCN(Cc3cc(C#N)cs3)C2)ccn1	ZINC000886072145	688199594	/nfs/dbraw/zinc/19/95/94/688199594.db2.gz	WJPWLUCHLWHUGX-KRWDZBQOSA-N	0	1	356.451	2.304	10	30		FEEEMN
CC[C@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CCN1CCOC	ZINC000106114423	543201533	/nfs/dbraw/zinc/20/15/33/543201533.db2.gz	BEESZBJYQIHXLI-OALUTQOASA-N	0	1	372.513	2.364	10	30		FEEEMN
CCOCCN1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1CC	ZINC000106119795	543203771	/nfs/dbraw/zinc/20/37/71/543203771.db2.gz	QKEXQJLTKVIFSU-LPHOPBHVSA-N	0	1	358.486	2.318	10	30		FEEEMN
C/C(=N\O)c1cccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)c1	ZINC000111370358	543399816	/nfs/dbraw/zinc/39/98/16/543399816.db2.gz	YBRZKPVTDONBOC-LCMCWVSWSA-N	0	1	369.465	2.447	10	30		FEEEMN
CC[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CCN1C[C@@H](C)O	ZINC000174610724	327338615	/nfs/dbraw/zinc/33/86/15/327338615.db2.gz	DFFRYIWVDNQXHQ-MJGOQNOKSA-N	0	1	373.497	2.411	10	30		FEEEMN
CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000246460344	549138171	/nfs/dbraw/zinc/13/81/71/549138171.db2.gz	FWGPEKITVBTASG-OLZOCXBDSA-N	0	1	355.410	2.084	10	30		FEEEMN
Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)Nc3cccc(C#N)c3)C2)n1	ZINC000106181171	543214526	/nfs/dbraw/zinc/21/45/26/543214526.db2.gz	QTVQPXJIPAVVJY-QGZVFWFLSA-N	0	1	352.442	2.117	10	30		FEEEMN
Cc1cnc(NC(O)=C2C(=O)c3ccccc3S(=O)(=O)N2C)s1	ZINC000103620661	222339870	/nfs/dbraw/zinc/33/98/70/222339870.db2.gz	DWMREKMVXIFPFM-ACCUITESSA-N	0	1	351.409	2.108	10	30	in-vitro	FEEEMN
FC(F)(F)Oc1ccc(C#CCN2CC[C@H](N3CCOCC3)C2)cc1	ZINC000153563292	544791759	/nfs/dbraw/zinc/79/17/59/544791759.db2.gz	MBXPYJWHNGATSS-INIZCTEOSA-N	0	1	354.372	2.343	10	30		FEEEMN
CCOCCN1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1CC	ZINC000177055037	546533623	/nfs/dbraw/zinc/53/36/23/546533623.db2.gz	JWXMWCZIGJBBFK-MOPGFXCFSA-N	0	1	359.470	2.205	10	30		FEEEMN
C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)Cc1cccc(C#N)c1	ZINC000180826807	547188277	/nfs/dbraw/zinc/18/82/77/547188277.db2.gz	HCXVOOQZEFWCLX-INIZCTEOSA-N	0	1	357.479	2.498	10	30		FEEEMN
CC[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CCN1C[C@@H](C)O	ZINC000247804345	549381637	/nfs/dbraw/zinc/38/16/37/549381637.db2.gz	SFKPBOOVLJGPEE-GUDVDZBRSA-N	0	1	372.513	2.099	10	30		FEEEMN
COc1c(O)cc2c(c1OC)[C@]13C=C(OC)C(=O)C=C1[C@H](CC2)N(C)CC3	ZINC000013359558	560214984	/nfs/dbraw/zinc/21/49/84/560214984.db2.gz	IJGDMFUAWANQSX-LHSJRXKWSA-N	0	1	371.433	2.337	10	30	in-vitro	FEEEMN
C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000180830637	672418850	/nfs/dbraw/zinc/41/88/50/672418850.db2.gz	DTVNKTUHUCLASA-AWEZNQCLSA-N	0	1	361.442	2.496	10	30		FEEEMN
N=C(N)NN=C1c2cc(Br)ccc2N(Cc2ccccc2)C1=O	ZINC000005736776	539416358	/nfs/dbraw/zinc/41/63/58/539416358.db2.gz	YMAYBRVHJWFONH-ZHZULCJRSA-N	0	1	372.226	2.183	10	30		FEEEMN
N#Cc1cc(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccc1F	ZINC000077497908	542389049	/nfs/dbraw/zinc/38/90/49/542389049.db2.gz	NYLIUDVAOMHBKI-SFHVURJKSA-N	0	1	368.412	2.238	10	30		FEEEMN
Cc1nn(C)c(C)c1CN1CCN(CCCOc2cccc(C#N)c2)CC1	ZINC000156188692	545605612	/nfs/dbraw/zinc/60/56/12/545605612.db2.gz	KPQGFTSEIMRISZ-UHFFFAOYSA-N	0	1	367.497	2.495	10	30		FEEEMN
CCc1nc([C@@H]2CN(C(=O)N[C@@H](CCC#N)c3ccccc3)CCO2)n[nH]1	ZINC000160547418	546051342	/nfs/dbraw/zinc/05/13/42/546051342.db2.gz	PSXVCBREMJTNDU-HOTGVXAUSA-N	0	1	368.441	2.495	10	30		FEEEMN
C#CCN1CCC(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)CC1	ZINC000176444882	546447894	/nfs/dbraw/zinc/44/78/94/546447894.db2.gz	IEGMPOSTXBBHBR-KRWDZBQOSA-N	0	1	355.486	2.013	10	30		FEEEMN
C=CCOc1ccccc1CNC(=O)N1CCN(C[C@H](C)O)[C@H](CC)C1	ZINC000248501438	549451160	/nfs/dbraw/zinc/45/11/60/549451160.db2.gz	TXJFGUPRJIZCKZ-FUHWJXTLSA-N	0	1	361.486	2.238	10	30		FEEEMN
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1	ZINC000263466669	549903496	/nfs/dbraw/zinc/90/34/96/549903496.db2.gz	KDFAMYPZNZRLFI-UHFFFAOYSA-N	0	1	370.453	2.170	10	30		FEEEMN
CCN1CCC[C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1	ZINC000108611173	543297182	/nfs/dbraw/zinc/29/71/82/543297182.db2.gz	JCWBTCQKTVIEOL-GJZGRUSLSA-N	0	1	374.510	2.477	10	30		FEEEMN
CC[C@@H]1CN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CCN1C[C@@H](C)O	ZINC000174615968	327338780	/nfs/dbraw/zinc/33/87/80/327338780.db2.gz	DOTSPLWZKIGEEJ-YVWKXTFCSA-N	0	1	373.497	2.265	10	30		FEEEMN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(O)cc2)cc1	ZINC000015919900	526025734	/nfs/dbraw/zinc/02/57/34/526025734.db2.gz	YCKRXWYUJKLKEX-KRWDZBQOSA-N	0	1	353.374	2.271	10	30		FEEEMN
CCOCCN1CCN(C(=O)NCc2ccc(OCC#N)cc2)C[C@H]1CC	ZINC000172132978	546238424	/nfs/dbraw/zinc/23/84/24/546238424.db2.gz	QQBQXNUVLAVNEB-GOSISDBHSA-N	0	1	374.485	2.231	10	30		FEEEMN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](N2CCOCC2)C1	ZINC000247246339	549306497	/nfs/dbraw/zinc/30/64/97/549306497.db2.gz	YLMPZBFELIRVGT-DLBZAZTESA-N	0	1	363.527	2.058	10	30		FEEEMN
COc1cc(CN2CCC[C@](O)(c3cn(C(C)C)nn3)C2)ccc1C#N	ZINC000285617082	551783699	/nfs/dbraw/zinc/78/36/99/551783699.db2.gz	VSHGFHOVTKCZRT-LJQANCHMSA-N	0	1	355.442	2.223	10	30		FEEEMN
C#CCOC[C@H](O)CN(CCOC)Cc1cccn1Cc1ccc(F)cc1	ZINC000035840545	210169772	/nfs/dbraw/zinc/16/97/72/210169772.db2.gz	FENHZCVIIIYKCY-OAQYLSRUSA-N	0	1	374.456	2.135	10	30		FEEEMN
C#CCOC[C@H](O)C[N@H+](CCOC)Cc1cccn1Cc1ccc(F)cc1	ZINC000035840545	210169768	/nfs/dbraw/zinc/16/97/68/210169768.db2.gz	FENHZCVIIIYKCY-OAQYLSRUSA-N	0	1	374.456	2.135	10	30		FEEEMN
C=CCOc1cc(OC)ccc1C(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1	ZINC000130642614	544159288	/nfs/dbraw/zinc/15/92/88/544159288.db2.gz	CXJSBOZVAOYFNS-HZPDHXFCSA-N	0	1	362.470	2.177	10	30		FEEEMN
COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1	ZINC000156970109	326850028	/nfs/dbraw/zinc/85/00/28/326850028.db2.gz	AWIPBYZMFUHZPY-OAHLLOKOSA-N	0	1	364.810	2.404	10	30		FEEEMN
Cc1cccc(NC(=O)C(=O)N[C@H](CN(C)C)c2ccccc2)c1C#N	ZINC000174601703	327337536	/nfs/dbraw/zinc/33/75/36/327337536.db2.gz	UIEOVEKKANEWPZ-GOSISDBHSA-N	0	1	350.422	2.224	10	30		FEEEMN
C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000172892922	546269989	/nfs/dbraw/zinc/26/99/89/546269989.db2.gz	QWLJEJUQZLRCRK-CYBMUJFWSA-N	0	1	357.435	2.251	10	30		FEEEMN
C#Cc1cccc(NC(=O)CN(C)CC2(O)CCC(C(=O)OCC)CC2)c1	ZINC000190822115	548334996	/nfs/dbraw/zinc/33/49/96/548334996.db2.gz	DMTNCICLNKLLGX-UHFFFAOYSA-N	0	1	372.465	2.023	10	30		FEEEMN
CC[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CCN1C[C@H](C)O	ZINC000246716913	549195718	/nfs/dbraw/zinc/19/57/18/549195718.db2.gz	DFFRYIWVDNQXHQ-HKUYNNGSSA-N	0	1	373.497	2.411	10	30		FEEEMN
CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)NC1CCOCC1	ZINC000328624465	553797649	/nfs/dbraw/zinc/79/76/49/553797649.db2.gz	JYFRUVXAWQMZLP-LLVKDONJSA-N	0	1	360.380	2.489	10	30		FEEEMN
CN(CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000106079466	543191528	/nfs/dbraw/zinc/19/15/28/543191528.db2.gz	KAKMQFWAEQLZRQ-QGZVFWFLSA-N	0	1	370.501	2.062	10	30		FEEEMN
CC[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CCN1C[C@@H](C)O	ZINC000174610712	327338426	/nfs/dbraw/zinc/33/84/26/327338426.db2.gz	DFFRYIWVDNQXHQ-IEBWSBKVSA-N	0	1	373.497	2.411	10	30		FEEEMN
COc1cc(C#N)ccc1OCCN1CCCN(c2ccc(C)nn2)CC1	ZINC000157922816	545799949	/nfs/dbraw/zinc/79/99/49/545799949.db2.gz	GEEOBKVVKDOKNS-UHFFFAOYSA-N	0	1	367.453	2.256	10	30		FEEEMN
C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000172892915	546269927	/nfs/dbraw/zinc/26/99/27/546269927.db2.gz	QWLJEJUQZLRCRK-ZDUSSCGKSA-N	0	1	357.435	2.251	10	30		FEEEMN
Cc1nc([C@H]2CN(c3c(C#N)cnc4c(F)cc(F)cc43)CCO2)n[nH]1	ZINC000175777835	546348553	/nfs/dbraw/zinc/34/85/53/546348553.db2.gz	POPPXCFSMITGTL-CQSZACIVSA-N	0	1	356.336	2.389	10	30		FEEEMN
CCOCCN1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1CC	ZINC000246410020	549127369	/nfs/dbraw/zinc/12/73/69/549127369.db2.gz	JWXMWCZIGJBBFK-RBUKOAKNSA-N	0	1	359.470	2.205	10	30		FEEEMN
CC[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CCN1C[C@H](C)O	ZINC000247804347	549382093	/nfs/dbraw/zinc/38/20/93/549382093.db2.gz	SFKPBOOVLJGPEE-IPMKNSEASA-N	0	1	372.513	2.099	10	30		FEEEMN
CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)c1ccc(C#N)cc1	ZINC000284633934	551595189	/nfs/dbraw/zinc/59/51/89/551595189.db2.gz	QPKPKLWZJLCPEC-PKOBYXMFSA-N	0	1	351.454	2.447	10	30		FEEEMN
CNC(=O)[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C	ZINC000183645424	672475091	/nfs/dbraw/zinc/47/50/91/672475091.db2.gz	QPPABTKRKFOPRA-CXAGYDPISA-N	0	1	362.499	2.380	10	30		FEEEMN
C=CCN(Cc1cccs1)C[C@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000025230811	539751504	/nfs/dbraw/zinc/75/15/04/539751504.db2.gz	ZOGNRUPYILYHKS-AWEZNQCLSA-N	0	1	356.447	2.393	10	30		FEEEMN
CC[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CCN1C[C@@H](C)O	ZINC000106102661	543197073	/nfs/dbraw/zinc/19/70/73/543197073.db2.gz	SFKPBOOVLJGPEE-CEXWTWQISA-N	0	1	372.513	2.099	10	30		FEEEMN
FC(F)(F)Oc1ccc(C#CCN2CC[C@@H](N3CCOCC3)C2)cc1	ZINC000153563410	544792060	/nfs/dbraw/zinc/79/20/60/544792060.db2.gz	MBXPYJWHNGATSS-MRXNPFEDSA-N	0	1	354.372	2.343	10	30		FEEEMN
CCc1nc([C@H]2CN(C(=O)c3ccc(C4(C#N)CC4)cc3)CCO2)n[nH]1	ZINC000180483656	547116514	/nfs/dbraw/zinc/11/65/14/547116514.db2.gz	WGFKTLQAABOKJT-OAHLLOKOSA-N	0	1	351.410	2.136	10	30		FEEEMN
N#Cc1cc(Br)cnc1N1CCc2sc(CN)nc2C1	ZINC000710146188	673067863	/nfs/dbraw/zinc/06/78/63/673067863.db2.gz	FVEKLKDYGCAYCE-UHFFFAOYSA-N	0	1	350.245	2.194	10	30		FEEEMN
N#CCCN(CCC#N)C(=O)CN1CCC[C@H]1C[C@H](O)c1ccccc1	ZINC000072866991	541884965	/nfs/dbraw/zinc/88/49/65/541884965.db2.gz	FIIBWFJXTJTTKM-OALUTQOASA-N	0	1	354.454	2.230	10	30		FEEEMN
C[C@H](C(=O)Nc1ccccc1C#N)N(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000106077239	543191070	/nfs/dbraw/zinc/19/10/70/543191070.db2.gz	FRMCDLJLHLQPDE-NVXWUHKLSA-N	0	1	364.453	2.276	10	30		FEEEMN
CCOCCN1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1CC	ZINC000106119793	543203876	/nfs/dbraw/zinc/20/38/76/543203876.db2.gz	QKEXQJLTKVIFSU-QFBILLFUSA-N	0	1	358.486	2.318	10	30		FEEEMN
N#CCCN(C(=O)CCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccccc1	ZINC000108890124	543307251	/nfs/dbraw/zinc/30/72/51/543307251.db2.gz	VMWMTXGCJWGYPJ-LJQANCHMSA-N	0	1	368.481	2.410	10	30		FEEEMN
N#CCCN(C(=O)CCC(=O)N1CCN2CCCC[C@@H]2C1)c1ccccc1	ZINC000108890124	543307253	/nfs/dbraw/zinc/30/72/53/543307253.db2.gz	VMWMTXGCJWGYPJ-LJQANCHMSA-N	0	1	368.481	2.410	10	30		FEEEMN
Cc1nc([C@H]2CN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)n[nH]1	ZINC000173672360	327275387	/nfs/dbraw/zinc/27/53/87/327275387.db2.gz	QYYUHZHQBYQQHI-OAHLLOKOSA-N	0	1	374.832	2.040	10	30		FEEEMN
Cc1nc([C@H]2CN(C(=O)N[C@H](CCC#N)c3ccccc3)CCO2)n[nH]1	ZINC000160575166	546053483	/nfs/dbraw/zinc/05/34/83/546053483.db2.gz	ZUFCOGTZYYFYDO-HZPDHXFCSA-N	0	1	354.414	2.241	10	30		FEEEMN
CCC(CC)CN(CCC#N)C[C@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000173554481	546283108	/nfs/dbraw/zinc/28/31/08/546283108.db2.gz	RTGDTPKRBXTEDM-INIZCTEOSA-N	0	1	357.454	2.295	10	30		FEEEMN
CC[C@@H](O)CN1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1	ZINC000174092002	546291846	/nfs/dbraw/zinc/29/18/46/546291846.db2.gz	POVBFIJTQCXPAP-AZUAARDMSA-N	0	1	372.513	2.019	10	30		FEEEMN
Cc1nc([C@@H]2CN(c3c(C#N)cnc4c(F)cc(F)cc43)CCO2)n[nH]1	ZINC000175777819	546348787	/nfs/dbraw/zinc/34/87/87/546348787.db2.gz	POPPXCFSMITGTL-AWEZNQCLSA-N	0	1	356.336	2.389	10	30		FEEEMN
CCc1nc([C@@H]2CN(C(=O)c3ccc(C4(C#N)CC4)cc3)CCO2)n[nH]1	ZINC000180483640	547115716	/nfs/dbraw/zinc/11/57/16/547115716.db2.gz	WGFKTLQAABOKJT-HNNXBMFYSA-N	0	1	351.410	2.136	10	30		FEEEMN
CCOc1ccc(C#N)cc1NC(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1	ZINC000181183538	547265291	/nfs/dbraw/zinc/26/52/91/547265291.db2.gz	YXZUQZQRQSGHCK-GDBMZVCRSA-N	0	1	360.458	2.266	10	30		FEEEMN
Cc1ccc2oc(N3CCN(CCC(=O)N(C)CCC#N)CC3)nc2c1	ZINC000181561782	547335944	/nfs/dbraw/zinc/33/59/44/547335944.db2.gz	MQANGIMIMISKPP-UHFFFAOYSA-N	0	1	355.442	2.020	10	30		FEEEMN
CCOCCN1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H]1CC	ZINC000247873179	549388241	/nfs/dbraw/zinc/38/82/41/549388241.db2.gz	XYKDNNCBICNMFI-QZTJIDSGSA-N	0	1	364.534	2.150	10	30		FEEEMN
C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000106079407	543191570	/nfs/dbraw/zinc/19/15/70/543191570.db2.gz	QHZVYCNULAMECL-MAUKXSAKSA-N	0	1	364.453	2.276	10	30		FEEEMN
C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000106079409	543191751	/nfs/dbraw/zinc/19/17/51/543191751.db2.gz	QHZVYCNULAMECL-CRAIPNDOSA-N	0	1	364.453	2.276	10	30		FEEEMN
CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000108611190	543297679	/nfs/dbraw/zinc/29/76/79/543297679.db2.gz	CDESZXZNOPNRAK-CQSZACIVSA-N	0	1	360.483	2.231	10	30		FEEEMN
CCc1nc([C@@H]2CN(C(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)n[nH]1	ZINC000153096942	544732324	/nfs/dbraw/zinc/73/23/24/544732324.db2.gz	VSGJLSAFEWFXEF-ZDUSSCGKSA-N	0	1	360.805	2.498	10	30		FEEEMN
C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000163094480	546143030	/nfs/dbraw/zinc/14/30/30/546143030.db2.gz	DLZANLLQWRXGRP-CYBMUJFWSA-N	0	1	357.435	2.251	10	30		FEEEMN
C[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2	ZINC000176883821	546500007	/nfs/dbraw/zinc/50/00/07/546500007.db2.gz	ZGEXBWLNLIXYFX-AWEZNQCLSA-N	0	1	372.446	2.454	10	30		FEEEMN
Cn1c(CN2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1C1CC1	ZINC000195047118	548569089	/nfs/dbraw/zinc/56/90/89/548569089.db2.gz	AUKWHJYBMSZHRQ-UHFFFAOYSA-N	0	1	350.470	2.272	10	30		FEEEMN
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)[C@H](C#N)c1nc2ccccc2o1	ZINC000250352770	672875990	/nfs/dbraw/zinc/87/59/90/672875990.db2.gz	LPTHUDJIICYZFP-GXTWGEPZSA-N	0	1	361.423	2.208	10	30		FEEEMN
C[C@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1	ZINC000046973251	540281124	/nfs/dbraw/zinc/28/11/24/540281124.db2.gz	XMCIYNDYFNFVBE-QFBILLFUSA-N	0	1	356.470	2.343	10	30		FEEEMN
CCOCCN1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1CC	ZINC000106117731	543202244	/nfs/dbraw/zinc/20/22/44/543202244.db2.gz	QKEFCXYKZKCHDH-AZUAARDMSA-N	0	1	370.497	2.096	10	30		FEEEMN
Cc1nc(CN2CCC[N@H+](Cc3ccc(N(C)CCC#N)cc3)CC2)no1	ZINC000127953721	544024168	/nfs/dbraw/zinc/02/41/68/544024168.db2.gz	QTUXJBPUKJPNQJ-UHFFFAOYSA-N	0	1	368.485	2.436	10	30		FEEEMN
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](Cn2cncn2)C1	ZINC000247555893	549356876	/nfs/dbraw/zinc/35/68/76/549356876.db2.gz	FNVGGMBIQLZETB-ZWKOTPCHSA-N	0	1	366.469	2.325	10	30		FEEEMN
C=CCOc1ccccc1C(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1	ZINC000262723747	549843357	/nfs/dbraw/zinc/84/33/57/549843357.db2.gz	REVTUIVFYCJJPG-UHFFFAOYSA-N	0	1	358.438	2.309	10	30		FEEEMN
Cn1nccc1[C@H]1[C@H](NCc2ccc(F)c(C#N)c2)CC(=O)N1C1CC1	ZINC000284659816	551601151	/nfs/dbraw/zinc/60/11/51/551601151.db2.gz	FYVUPPZBXMEWRP-VQIMIIECSA-N	0	1	353.401	2.025	10	30		FEEEMN
CC(C)n1cc([C@]2(O)CCN(CCCOc3cccc(C#N)c3)C2)nn1	ZINC000375343624	558012179	/nfs/dbraw/zinc/01/21/79/558012179.db2.gz	XJXXFBPKVZHLHY-IBGZPJMESA-N	0	1	355.442	2.093	10	30		FEEEMN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000119708641	671906271	/nfs/dbraw/zinc/90/62/71/671906271.db2.gz	DLZPMMBKLDQZEF-GJZGRUSLSA-N	0	1	350.484	2.330	10	30		FEEEMN
CC[C@H](O)CN1CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1	ZINC000123596961	543771507	/nfs/dbraw/zinc/77/15/07/543771507.db2.gz	BGLNWTQZFBUNSU-SFHVURJKSA-N	0	1	361.486	2.266	10	30		FEEEMN
CCn1cc(CN2CCCN(Cc3cnc4ccc(C#N)cn34)CC2)cn1	ZINC000121621179	326352644	/nfs/dbraw/zinc/35/26/44/326352644.db2.gz	YUNGIQCMTLQEME-UHFFFAOYSA-N	0	1	363.469	2.130	10	30		FEEEMN
COc1cc(C#N)ccc1OCCN1CCC(Nc2cccnn2)CC1	ZINC000157928037	545802365	/nfs/dbraw/zinc/80/23/65/545802365.db2.gz	YFOFHRMTGGAXLZ-UHFFFAOYSA-N	0	1	353.426	2.312	10	30		FEEEMN
CC[C@@H]1CN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CCN1C[C@@H](C)O	ZINC000180087905	547050212	/nfs/dbraw/zinc/05/02/12/547050212.db2.gz	HIPTTXOSFPNABP-OWCLPIDISA-N	0	1	360.458	2.286	10	30		FEEEMN
C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000180831787	547188839	/nfs/dbraw/zinc/18/88/39/547188839.db2.gz	RYDHEPOAHHRROS-AWEZNQCLSA-N	0	1	361.442	2.496	10	30		FEEEMN
CCOc1ccc(C#N)cc1NC(=O)N1CCN(C[C@H](C)O)[C@@H](CC)C1	ZINC000245627470	548960396	/nfs/dbraw/zinc/96/03/96/548960396.db2.gz	YXZUQZQRQSGHCK-HOCLYGCPSA-N	0	1	360.458	2.266	10	30		FEEEMN
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN2CCC[C@H]2C1	ZINC000246329886	549107889	/nfs/dbraw/zinc/10/78/89/549107889.db2.gz	ZZEKJXWUJLLIKD-ZDUSSCGKSA-N	0	1	359.373	2.046	10	30		FEEEMN
CCOCCN1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H]1CC	ZINC000247873176	549388686	/nfs/dbraw/zinc/38/86/86/549388686.db2.gz	XYKDNNCBICNMFI-MSOLQXFVSA-N	0	1	364.534	2.150	10	30		FEEEMN
CN(Cc1nccc(N)n1)[C@@H]1CCCN(c2ncc(C#N)cc2Cl)CC1	ZINC000328625442	553798178	/nfs/dbraw/zinc/79/81/78/553798178.db2.gz	DDNSWCFVEBKJQQ-CQSZACIVSA-N	0	1	371.876	2.470	10	30		FEEEMN
CC[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1CCOC	ZINC000106116290	543202674	/nfs/dbraw/zinc/20/26/74/543202674.db2.gz	PHCCKIRIGAZWFV-INIZCTEOSA-N	0	1	364.877	2.193	10	30		FEEEMN
CCc1nc([C@H]2CN(C(=O)CSCc3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000173562128	327266946	/nfs/dbraw/zinc/26/69/46/327266946.db2.gz	YKVFCDMSFMTKCF-OAHLLOKOSA-N	0	1	371.466	2.072	10	30		FEEEMN
N#Cc1cc(F)ccc1NC(=O)NC[C@H](O)CN1CCc2ccccc2C1	ZINC000177898519	546704350	/nfs/dbraw/zinc/70/43/50/546704350.db2.gz	MXQJXJBSVQUOBB-SFHVURJKSA-N	0	1	368.412	2.238	10	30		FEEEMN
C#CCCOc1ccc(CN2CCCN(Cc3noc(C)n3)CC2)cc1	ZINC000179212764	546915214	/nfs/dbraw/zinc/91/52/14/546915214.db2.gz	NNYZDNPDSDZMFS-UHFFFAOYSA-N	0	1	354.454	2.488	10	30		FEEEMN
CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)NC[C@@H]1CCCO1	ZINC000328621196	553797287	/nfs/dbraw/zinc/79/72/87/553797287.db2.gz	HNVAMJXOCCCKED-RYUDHWBXSA-N	0	1	360.380	2.489	10	30		FEEEMN
CCOCCN1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1CC	ZINC000116766955	543615355	/nfs/dbraw/zinc/61/53/55/543615355.db2.gz	KWIDDOCHBTWQFY-GOSISDBHSA-N	0	1	359.470	2.091	10	30		FEEEMN
Cc1oc(C#N)cc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C	ZINC000284690462	551609104	/nfs/dbraw/zinc/60/91/04/551609104.db2.gz	XPLJDTFXOKTZQU-KBXCAEBGSA-N	0	1	355.442	2.348	10	30		FEEEMN
CC(C)n1cc([C@]2(O)CCCN(CCOc3ccccc3C#N)C2)nn1	ZINC000284758145	551626034	/nfs/dbraw/zinc/62/60/34/551626034.db2.gz	YCSWMRAASRWXDY-IBGZPJMESA-N	0	1	355.442	2.093	10	30		FEEEMN
CN(C)C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccccc1	ZINC000175944019	546376720	/nfs/dbraw/zinc/37/67/20/546376720.db2.gz	KTSIOVBMMJOOCX-KRWDZBQOSA-N	0	1	354.385	2.055	10	30		FEEEMN
CCOc1ccc(C#N)cc1NC(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1	ZINC000181183561	547266284	/nfs/dbraw/zinc/26/62/84/547266284.db2.gz	YXZUQZQRQSGHCK-ZBFHGGJFSA-N	0	1	360.458	2.266	10	30		FEEEMN
CC[C@@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@H]42	ZINC000056871355	221081948	/nfs/dbraw/zinc/08/19/48/221081948.db2.gz	AUVZFRDLRJQTQF-KXEYLTKFSA-N	0	1	352.434	2.432	10	30	in-vitro	FEEEMN
CCOc1ccc(C#N)cc1NC(=O)N1CCN(C[C@H](C)O)[C@H](CC)C1	ZINC000245627466	548960902	/nfs/dbraw/zinc/96/09/02/548960902.db2.gz	YXZUQZQRQSGHCK-GOEBONIOSA-N	0	1	360.458	2.266	10	30		FEEEMN
CN(Cc1nccc(N)n1)[C@@H]1CCCN(c2cccc(F)c2C#N)CC1	ZINC000328630301	553799303	/nfs/dbraw/zinc/79/93/03/553799303.db2.gz	JEXDBZGTHBEEKJ-CQSZACIVSA-N	0	1	354.433	2.560	10	30		FEEEMN
C=CCOc1ccc(CN2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)cc1Cl	ZINC000263488109	672934392	/nfs/dbraw/zinc/93/43/92/672934392.db2.gz	HVMRKZGUGPFHRQ-OAHLLOKOSA-N	0	1	368.861	2.122	10	30		FEEEMN
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H](Cn2cncn2)C1	ZINC000106172905	543211856	/nfs/dbraw/zinc/21/18/56/543211856.db2.gz	ZVDCZJVLMKZZHZ-NRGCRIOASA-N	0	1	372.517	2.309	10	30		FEEEMN
CCc1nc([C@@H]2CN(c3nc(C(F)(F)F)ccc3C#N)CCO2)n[nH]1	ZINC000131575972	544196293	/nfs/dbraw/zinc/19/62/93/544196293.db2.gz	BQIHORCQDXOZHS-JTQLQIEISA-N	0	1	352.320	2.230	10	30		FEEEMN
Cc1nc([C@@H]2CN(C(=O)CCCCOc3cccc(C#N)c3)CCO2)n[nH]1	ZINC000173525210	327263572	/nfs/dbraw/zinc/26/35/72/327263572.db2.gz	IKQOIZKZFQCNID-KRWDZBQOSA-N	0	1	369.425	2.134	10	30		FEEEMN
C=CCOc1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](CC)C2)cc1OC	ZINC000174642396	546301318	/nfs/dbraw/zinc/30/13/18/546301318.db2.gz	XHWQEDOOXDFMJJ-WBVHZDCISA-N	0	1	362.470	2.177	10	30		FEEEMN
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN2CCC[C@@H]2C1	ZINC000178541025	546809322	/nfs/dbraw/zinc/80/93/22/546809322.db2.gz	ZZEKJXWUJLLIKD-CYBMUJFWSA-N	0	1	359.373	2.046	10	30		FEEEMN
N#Cc1ccc(N2CC[C@H](N3CC[C@H](CNc4ccccn4)C3)C2=O)cc1	ZINC000246095644	549051413	/nfs/dbraw/zinc/05/14/13/549051413.db2.gz	HAKBXXHAAQTQSG-MJGOQNOKSA-N	0	1	361.449	2.493	10	30		FEEEMN
C=CCOc1cc(OC)ccc1C(=O)N1CCN(C[C@H](C)O)[C@@H](CC)C1	ZINC000248621699	549469211	/nfs/dbraw/zinc/46/92/11/549469211.db2.gz	CXJSBOZVAOYFNS-HOTGVXAUSA-N	0	1	362.470	2.177	10	30		FEEEMN
C=CCOc1ccc(CN2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)cc1Cl	ZINC000263488105	672934346	/nfs/dbraw/zinc/93/43/46/672934346.db2.gz	HVMRKZGUGPFHRQ-HNNXBMFYSA-N	0	1	368.861	2.122	10	30		FEEEMN
NS(=O)(=O)c1ccc(NN=Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1	ZINC000004948221	539397841	/nfs/dbraw/zinc/39/78/41/539397841.db2.gz	BOHARAGZXKNXLR-REZTVBANSA-N	0	1	372.765	2.481	10	30		FEEEMN
CCOCCN1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1CC	ZINC000116766957	543614894	/nfs/dbraw/zinc/61/48/94/543614894.db2.gz	KWIDDOCHBTWQFY-SFHVURJKSA-N	0	1	359.470	2.091	10	30		FEEEMN
CC(C)(O)CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1	ZINC000120984635	543686979	/nfs/dbraw/zinc/68/69/79/543686979.db2.gz	VCQYXWRRUCQALA-OAHLLOKOSA-N	0	1	352.276	2.402	10	30		FEEEMN
C#CCOc1ccc(F)cc1NC(=O)N1CCO[C@@H](c2n[nH]c(CC)n2)C1	ZINC000132433201	544231138	/nfs/dbraw/zinc/23/11/38/544231138.db2.gz	RSDRUEIKMLHIES-OAHLLOKOSA-N	0	1	373.388	2.124	10	30		FEEEMN
C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2	ZINC000176883838	546499881	/nfs/dbraw/zinc/49/98/81/546499881.db2.gz	ZGEXBWLNLIXYFX-CQSZACIVSA-N	0	1	372.446	2.454	10	30		FEEEMN
CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C1	ZINC000247091735	549281839	/nfs/dbraw/zinc/28/18/39/549281839.db2.gz	JCWBTCQKTVIEOL-HUUCEWRRSA-N	0	1	374.510	2.477	10	30		FEEEMN
C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000119708907	671906617	/nfs/dbraw/zinc/90/66/17/671906617.db2.gz	DLZPMMBKLDQZEF-LSDHHAIUSA-N	0	1	350.484	2.330	10	30		FEEEMN
CNC(=O)[C@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C	ZINC000183645384	672475189	/nfs/dbraw/zinc/47/51/89/672475189.db2.gz	QPPABTKRKFOPRA-SUMWQHHRSA-N	0	1	362.499	2.380	10	30		FEEEMN