smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCc1cc(C)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2O)c1C#N	ZINC000004758018	204074100	/nfs/dbraw/zinc/07/41/00/204074100.db2.gz	KYVGKISOIQMJND-UHFFFAOYSA-N	0	1	388.405	2.753	50	30		GFEAMN
CCOC(=O)C(C=Nc1ccccc1C#N)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005128779	204113274	/nfs/dbraw/zinc/11/32/74/204113274.db2.gz	CYQMTYGRZZHZLX-ATVHPVEESA-N	0	1	380.360	2.713	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000005445223	204131937	/nfs/dbraw/zinc/13/19/37/204131937.db2.gz	SIJFFLQFDFGZFV-GHNGSUTGSA-N	0	1	395.415	2.578	50	30		GFEAMN
N#Cc1nccnc1NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000089779543	136175658	/nfs/dbraw/zinc/17/56/58/136175658.db2.gz	KYOYUBGCVDNAHW-UHFFFAOYSA-N	0	1	390.413	2.991	50	30		GFEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102717071	521265487	/nfs/dbraw/zinc/26/54/87/521265487.db2.gz	UKDCVIWCFKMZDL-GHNGSUTGSA-N	0	1	384.432	2.662	50	30		GFEAMN
COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCOCC3)C2=O)cc1	ZINC000022625759	521937489	/nfs/dbraw/zinc/93/74/89/521937489.db2.gz	ZMGASYMGJSMVHC-UNOMPAQXSA-N	0	1	395.411	2.627	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000006786220	523796880	/nfs/dbraw/zinc/79/68/80/523796880.db2.gz	MPETWXOICJOTCE-LJQANCHMSA-N	0	1	397.427	2.929	50	30		GFEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1	ZINC000102747765	524296828	/nfs/dbraw/zinc/29/68/28/524296828.db2.gz	DADYYVJTAAEIQV-WOOAAIBNSA-N	0	1	398.434	2.818	50	30		GFEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020234091	570249445	/nfs/dbraw/zinc/24/94/45/570249445.db2.gz	FQZPJSHFKOROSU-LJQANCHMSA-N	0	1	396.443	2.984	50	30		GFEAMN
CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1cc2ccccc2o1	ZINC000575621098	570370732	/nfs/dbraw/zinc/37/07/32/570370732.db2.gz	NMDONTUTGBJCRN-KRWDZBQOSA-N	0	1	376.416	2.662	50	30		GFEAMN
CC[C@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(CC)CC1	ZINC000002393950	570482219	/nfs/dbraw/zinc/48/22/19/570482219.db2.gz	FVDICPYKECYOPI-IRXDYDNUSA-N	0	1	395.507	2.968	50	30		GFEAMN
CC[C@@H]1CN(C(=O)c2cc(C#N)c(=O)[nH]c2C)CCC(=O)N1Cc1ccccc1	ZINC000071767792	205295616	/nfs/dbraw/zinc/29/56/16/205295616.db2.gz	RTOUIBWOXPANSD-GOSISDBHSA-N	0	1	392.459	2.621	50	30		GFEAMN
COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C#N)nc2)[C@H]2[C@@H]1N1CCC2CC1	ZINC000072157262	205314156	/nfs/dbraw/zinc/31/41/56/205314156.db2.gz	FAGAQFFOZVSRDV-KSEOMHKRSA-N	0	1	388.471	2.664	50	30		GFEAMN
C=CCN1CCC[C@@H]1C(=O)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1	ZINC000067755319	518860226	/nfs/dbraw/zinc/86/02/26/518860226.db2.gz	UGCYOVSGZPWISE-MRXNPFEDSA-N	0	1	381.432	2.605	50	30		GFEAMN
CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1	ZINC000018032941	520663926	/nfs/dbraw/zinc/66/39/26/520663926.db2.gz	SYKYHMVZDRINRP-OWCLPIDISA-N	0	1	381.480	2.767	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000019788242	521755741	/nfs/dbraw/zinc/75/57/41/521755741.db2.gz	LQVAYIMSIZSHKH-SFHVURJKSA-N	0	1	395.415	2.735	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000006786347	523796918	/nfs/dbraw/zinc/79/69/18/523796918.db2.gz	DSFWTCMODNXPRT-SFHVURJKSA-N	0	1	383.400	2.626	50	30		GFEAMN
COc1ccccc1CC1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)NC1=O	ZINC000018209333	524514188	/nfs/dbraw/zinc/51/41/88/524514188.db2.gz	AVXSDMONBPSFJL-YDDPGSGASA-N	0	1	384.417	2.768	50	30		GFEAMN
N#Cc1ccccc1S(=O)(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1	ZINC000012552406	570856352	/nfs/dbraw/zinc/85/63/52/570856352.db2.gz	WSKXQDCJDPATNA-UHFFFAOYSA-N	0	1	383.351	2.651	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000006786225	204205574	/nfs/dbraw/zinc/20/55/74/204205574.db2.gz	SNBIPXLZTFWKPL-QGZVFWFLSA-N	0	1	382.372	2.820	50	30		GFEAMN
Cc1nn(-c2ccccc2)c2nc3[nH]c(=O)[nH]c(=O)c3c(-c3ccc(C#N)cc3)c12	ZINC000072332772	205325936	/nfs/dbraw/zinc/32/59/36/205325936.db2.gz	NOGYPTWZAOCJQB-UHFFFAOYSA-N	0	1	394.394	2.797	50	30		GFEAMN
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CCN(CC)CC1)C2	ZINC000023214948	519286298	/nfs/dbraw/zinc/28/62/98/519286298.db2.gz	SUXSMAXWYSFQQG-IBGZPJMESA-N	0	1	399.583	2.580	50	30		GFEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCOC)ccc1O	ZINC000102879797	520772671	/nfs/dbraw/zinc/77/26/71/520772671.db2.gz	IZMLMXQJUZBXDT-LFVOPCPISA-N	0	1	397.427	2.859	50	30		GFEAMN
CN(C)c1nc(=NN=Cc2ccc([N+](=O)[O-])cc2)nc(NCc2ccccc2)[nH]1	ZINC000004199593	522331475	/nfs/dbraw/zinc/33/14/75/522331475.db2.gz	UONGFPAZVXPFLR-FYJGNVAPSA-N	0	1	392.423	2.904	50	30		GFEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1	ZINC000013693224	524296883	/nfs/dbraw/zinc/29/68/83/524296883.db2.gz	XEFUBVGBUNRATF-IBGZPJMESA-N	0	1	398.434	2.974	50	30		GFEAMN
Oc1c(Cl)cc(Cl)cc1CN=Nc1ncc(F)c(N2CCOCC2)n1	ZINC000098087033	526324864	/nfs/dbraw/zinc/32/48/64/526324864.db2.gz	GMLGUPDHGWEOAU-SCDVKCJHSA-N	0	1	386.214	2.911	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1OC	ZINC000009110204	570549319	/nfs/dbraw/zinc/54/93/19/570549319.db2.gz	KLRPNKULBJOGEN-LJQANCHMSA-N	0	1	397.427	2.665	50	30		GFEAMN
Cc1ccc(S(=O)(=O)N=C2C(=O)C([n+]3ccccc3)=C([O-])C(C)=C2C)cc1	ZINC000006814686	204212000	/nfs/dbraw/zinc/21/20/00/204212000.db2.gz	SICOPILFSSELKR-FXBPSFAMSA-O	0	1	383.449	2.758	50	30		GFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ncccn2)c1	ZINC000008744074	204286868	/nfs/dbraw/zinc/28/68/68/204286868.db2.gz	DTSHOGNPRXMURF-MRXNPFEDSA-N	0	1	377.356	2.861	50	30		GFEAMN
CC(C)(O)C#Cc1ccc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)cc1	ZINC000036385667	519330108	/nfs/dbraw/zinc/33/01/08/519330108.db2.gz	UNWQKFBEZBYDFT-XMMPIXPASA-N	0	1	392.543	2.878	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cn(C)c3ccccc23)[C@@H]1c1ccco1	ZINC000102750697	521754980	/nfs/dbraw/zinc/75/49/80/521754980.db2.gz	YXOAWKHUHBATCV-WOOAAIBNSA-N	0	1	393.443	2.755	50	30		GFEAMN
CN(C)S(=O)(=O)c1ccc(-c2csc(N=NCc3ccco3)n2)cc1	ZINC000004951575	521975340	/nfs/dbraw/zinc/97/53/40/521975340.db2.gz	GWCXEFGKGPBFIY-LICLKQGHSA-N	0	1	376.463	2.521	50	30		GFEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccn2)s1	ZINC000102745849	526354432	/nfs/dbraw/zinc/35/44/32/526354432.db2.gz	RGWWIGLMETZZKL-MNWMYKRDSA-N	0	1	384.442	2.929	50	30		GFEAMN
O=C([N-]S(=O)(=O)Oc1ccc(F)cc1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000020528574	527159962	/nfs/dbraw/zinc/15/99/62/527159962.db2.gz	JJQBEQCUZLYYNN-XJKSGUPXSA-N	0	1	386.445	2.644	50	30		GFEAMN
O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000048275262	570229683	/nfs/dbraw/zinc/22/96/83/570229683.db2.gz	VOOPBXLPWDYWAQ-OAHLLOKOSA-N	0	1	376.420	2.546	50	30		GFEAMN
N#CC(c1nc2ccccc2nc1N1CCOCC1)S(=O)(=O)c1ccccc1	ZINC000002265938	570280713	/nfs/dbraw/zinc/28/07/13/570280713.db2.gz	ZSMDFXKJRWWJLO-GOSISDBHSA-N	0	1	394.456	2.505	50	30		GFEAMN
COc1cccc([C@H](CNC(=O)CCc2c(C)nn(CCC#N)c2C)N(C)C)c1	ZINC000029256748	570470846	/nfs/dbraw/zinc/47/08/46/570470846.db2.gz	JWSLUIMDVKQZLL-NRFANRHFSA-N	0	1	397.523	2.774	50	30		GFEAMN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ncccn5)CC4)[C@H]3C[C@H]12	ZINC000061997755	570553792	/nfs/dbraw/zinc/55/37/92/570553792.db2.gz	XYKSVNDXUQWESH-MTSAVCEVSA-N	0	1	396.535	2.913	50	30		GFEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H](C)O)ccc1O	ZINC000005799596	570693053	/nfs/dbraw/zinc/69/30/53/570693053.db2.gz	XHILBEBZTFKDCP-ORAYPTAESA-N	0	1	397.427	2.750	50	30		GFEAMN
CN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2C#N)CC1	ZINC000003553094	204012354	/nfs/dbraw/zinc/01/23/54/204012354.db2.gz	WOKCBWMGELREFI-UHFFFAOYSA-N	0	1	384.867	2.981	50	30		GFEAMN
C=CCc1ccccc1OC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	ZINC000004057451	519147239	/nfs/dbraw/zinc/14/72/39/519147239.db2.gz	KGKOYEOMROTYLZ-NRFANRHFSA-N	0	1	382.504	2.986	50	30		GFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102865291	521234074	/nfs/dbraw/zinc/23/40/74/521234074.db2.gz	JPDKIXVRMPSIBZ-LFVOPCPISA-N	0	1	398.459	2.970	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccncc1	ZINC000005045156	523793004	/nfs/dbraw/zinc/79/30/04/523793004.db2.gz	KOMBQMRNCMGUIA-GOSISDBHSA-N	0	1	382.416	2.623	50	30		GFEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@H](C)O)c1	ZINC000004618578	524171220	/nfs/dbraw/zinc/17/12/20/524171220.db2.gz	LJCVXXOCXMFGMI-LIRRHRJNSA-N	0	1	381.428	2.963	50	30		GFEAMN
O=C(c1ccccc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1	ZINC000102925703	526952717	/nfs/dbraw/zinc/95/27/17/526952717.db2.gz	CMMVRYFMALJWMR-SELCWUDQSA-N	0	1	398.484	2.502	50	30		GFEAMN
Nn1cnnc1[N-][NH+]=CC1=CC(=[NH+][N-]c2nonc2-c2ccccc2)C=CC1=O	ZINC000252606820	570419596	/nfs/dbraw/zinc/41/95/96/570419596.db2.gz	GVTFQARGQBUOGG-UHFFFAOYSA-N	0	1	390.367	2.609	50	30		GFEAMN
Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)o1	ZINC000006813306	570617134	/nfs/dbraw/zinc/61/71/34/570617134.db2.gz	LZKLTZYYBDENPY-IDTYTIONSA-N	0	1	389.477	2.645	50	30		GFEAMN
CCOC(=O)C1C(COc2cccc(C#N)c2)=NC(=O)N[C@H]1c1ccccc1	ZINC000006463346	204180221	/nfs/dbraw/zinc/18/02/21/204180221.db2.gz	WRLYZJLEHDQNAA-IBGZPJMESA-N	0	1	377.400	2.808	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102799513	523788594	/nfs/dbraw/zinc/78/85/94/523788594.db2.gz	LBKNZDMLFDCTLQ-GHNGSUTGSA-N	0	1	396.399	2.971	50	30		GFEAMN
Cc1cc(N=NCc2ccc(O)cc2)nc(NS(=O)(=O)c2ccccc2)n1	ZINC000004546127	525045140	/nfs/dbraw/zinc/04/51/40/525045140.db2.gz	GHIMYBVOYLWWGQ-XDHOZWIPSA-N	0	1	383.433	2.737	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)cc1OC	ZINC000006728392	525390902	/nfs/dbraw/zinc/39/09/02/525390902.db2.gz	IWSNBTBZIOUKRU-YJYMSZOUSA-N	0	1	397.427	2.663	50	30		GFEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)s1	ZINC000004312586	526690036	/nfs/dbraw/zinc/69/00/36/526690036.db2.gz	ZXGJKTISIAVQPF-CQSZACIVSA-N	0	1	391.518	2.961	50	30		GFEAMN
CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1	ZINC000002285353	570281288	/nfs/dbraw/zinc/28/12/88/570281288.db2.gz	SYKYHMVZDRINRP-BZUAXINKSA-N	0	1	381.480	2.767	50	30		GFEAMN
COc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc([N+](=O)[O-])c1O	ZINC000018195935	570808611	/nfs/dbraw/zinc/80/86/11/570808611.db2.gz	CFGHHBQMIYUNIB-OAHLLOKOSA-N	0	1	385.380	2.559	50	30		GFEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000006812693	204211342	/nfs/dbraw/zinc/21/13/42/204211342.db2.gz	JDBCZLWXKGEKTG-LFVOPCPISA-N	0	1	396.443	2.828	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccn1	ZINC000013725554	521755673	/nfs/dbraw/zinc/75/56/73/521755673.db2.gz	QDFVXMCOOYIMOW-IBGZPJMESA-N	0	1	390.443	2.703	50	30		GFEAMN
COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000020057866	524111213	/nfs/dbraw/zinc/11/12/13/524111213.db2.gz	YFIXPXGTXAMYNI-QGZVFWFLSA-N	0	1	386.473	2.897	50	30		GFEAMN
Cc1cc(N=NCc2ccccc2)nc(NS(=O)(=O)c2ccc(N)cc2)n1	ZINC000004329307	525044660	/nfs/dbraw/zinc/04/46/60/525044660.db2.gz	CUEMRUIYAQIOSB-UDWIEESQSA-N	0	1	382.449	2.614	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)C(=O)C(=O)N2CCO)cc1	ZINC000009329591	525213972	/nfs/dbraw/zinc/21/39/72/525213972.db2.gz	LKIHTAAFZPUJHV-PREONFAQSA-N	0	1	379.412	2.665	50	30		GFEAMN
O=[N+]([O-])c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000059102536	527345474	/nfs/dbraw/zinc/34/54/74/527345474.db2.gz	SQEXAGUPENJCBF-VGOFMYFVSA-N	0	1	376.241	2.765	50	30		GFEAMN
O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000048275264	570229733	/nfs/dbraw/zinc/22/97/33/570229733.db2.gz	VOOPBXLPWDYWAQ-HNNXBMFYSA-N	0	1	376.420	2.546	50	30		GFEAMN
C#CCOC[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1	ZINC000036147250	570549239	/nfs/dbraw/zinc/54/92/39/570549239.db2.gz	XKZRZKTZRYBWCU-YADHBBJMSA-N	0	1	396.462	2.832	50	30		GFEAMN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ncccn5)CC4)[C@H]3C[C@@H]12	ZINC000061997756	570553825	/nfs/dbraw/zinc/55/38/25/570553825.db2.gz	XYKSVNDXUQWESH-WNPAHNIUSA-N	0	1	396.535	2.913	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccnc2)cc1	ZINC000019153200	570879873	/nfs/dbraw/zinc/87/98/73/570879873.db2.gz	CXFKLOWNSOBSCH-PKOBYXMFSA-N	0	1	394.427	2.848	50	30		GFEAMN
COc1ccc(CC2S/C(=N/N=C/c3cccc([N+](=O)[O-])c3)NC2=O)cc1	ZINC000004793856	204076502	/nfs/dbraw/zinc/07/65/02/204076502.db2.gz	DQQUXBUSZKMIPQ-ZVCOJXFSSA-N	0	1	384.417	2.768	50	30		GFEAMN
COc1ccc(CC2S/C(=N\N=C\c3ccc(N(C)C)cc3)NC2=O)cc1	ZINC000005737691	204149124	/nfs/dbraw/zinc/14/91/24/204149124.db2.gz	NRLCGMQRZJDWDC-LANLRWRYSA-N	0	1	382.489	2.925	50	30		GFEAMN
COc1cccc([C@@H]2CN(C(=O)c3ccc(C#N)nc3)[C@H]3[C@@H]2N2CCC3CC2)c1	ZINC000072133520	205308852	/nfs/dbraw/zinc/30/88/52/205308852.db2.gz	ZXVPGWAYJRWOGT-BHDDXSALSA-N	0	1	388.471	2.664	50	30		GFEAMN
C#CCOc1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1OC	ZINC000032099573	518319585	/nfs/dbraw/zinc/31/95/85/518319585.db2.gz	RFMODEOTRNTUBZ-YBEGLDIGSA-N	0	1	382.803	2.822	50	30		GFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000100455362	523274545	/nfs/dbraw/zinc/27/45/45/523274545.db2.gz	FGZOTZRPRXNEHA-LFVOPCPISA-N	0	1	397.427	2.859	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1F	ZINC000102749795	523374670	/nfs/dbraw/zinc/37/46/70/523374670.db2.gz	VQLUWBJTCRVHQL-LFVOPCPISA-N	0	1	398.434	2.818	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccncc1	ZINC000102896759	523789992	/nfs/dbraw/zinc/78/99/92/523789992.db2.gz	QCIMBHASGFAOSY-LFVOPCPISA-N	0	1	396.443	2.937	50	30		GFEAMN
COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000020057865	524173898	/nfs/dbraw/zinc/17/38/98/524173898.db2.gz	YFIXPXGTXAMYNI-KRWDZBQOSA-N	0	1	386.473	2.897	50	30		GFEAMN
Cc1cccc(OS(=O)(=O)[N-]C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1	ZINC000036034660	524769037	/nfs/dbraw/zinc/76/90/37/524769037.db2.gz	RNTSHHDUKIWVND-DOTOQJQBSA-N	0	1	382.482	2.814	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102934836	525214888	/nfs/dbraw/zinc/21/48/88/525214888.db2.gz	GSSMFZGFAAQQHS-YDJIHCHBSA-N	0	1	394.471	2.987	50	30		GFEAMN
CNc1nc(=NN=Cc2ccc(Cl)cc2Cl)nc(N2CCOCC2)[nH]1	ZINC000015134908	551110672	/nfs/dbraw/zinc/11/06/72/551110672.db2.gz	ADIOPUDXOMVEQV-OCKHKDLRSA-N	0	1	382.255	2.503	50	30		GFEAMN
COc1ccccc1CC1S/C(=N\N=C/c2cccc([N+](=O)[O-])c2)NC1=O	ZINC000005201744	570504598	/nfs/dbraw/zinc/50/45/98/570504598.db2.gz	AVXSDMONBPSFJL-YLRSXTQRSA-N	0	1	384.417	2.768	50	30		GFEAMN
C#CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1	ZINC000004746528	571042734	/nfs/dbraw/zinc/04/27/34/571042734.db2.gz	IPDPYVHRCOQCMC-QINSGFPZSA-N	0	1	380.400	2.669	50	30		GFEAMN
C=CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3cccc(C(=O)OCC)c3)o2)C1=O	ZINC000006463948	206229915	/nfs/dbraw/zinc/22/99/15/206229915.db2.gz	YDEWTJVHUPDCKQ-VBKFSLOCSA-N	0	1	394.383	2.771	50	30		GFEAMN
Cc1ccccc1CNC(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000039935293	207334365	/nfs/dbraw/zinc/33/43/65/207334365.db2.gz	AIWMYLZJCVRAIO-UHFFFAOYSA-N	0	1	376.504	2.691	50	30		GFEAMN
C[S@](=O)c1cccc(NS(=O)(=O)c2cccc(Br)c2C#N)c1	ZINC000241126110	209020102	/nfs/dbraw/zinc/02/01/02/209020102.db2.gz	JJOUKKZJZCZBFP-NRFANRHFSA-N	0	1	399.291	2.859	50	30		GFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccncc2)cc1	ZINC000009374568	519022965	/nfs/dbraw/zinc/02/29/65/519022965.db2.gz	BEBYKRMKSNNECQ-IBGZPJMESA-N	0	1	394.427	2.871	50	30		GFEAMN
COCc1cc(C)nc(NN=Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1C#N	ZINC000005128095	522916200	/nfs/dbraw/zinc/91/62/00/522916200.db2.gz	KISCDLFHIXEKEA-AWQFTUOYSA-N	0	1	385.380	2.780	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1C	ZINC000017057362	523558079	/nfs/dbraw/zinc/55/80/79/523558079.db2.gz	ACHAWQBFPICZPO-LJQANCHMSA-N	0	1	395.459	2.539	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccnc1	ZINC000017748463	523793513	/nfs/dbraw/zinc/79/35/13/523793513.db2.gz	SYDHYLBZTDXEHJ-SFHVURJKSA-N	0	1	382.416	2.623	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000018063120	525390963	/nfs/dbraw/zinc/39/09/63/525390963.db2.gz	XDORZHMSUPGPDO-IBGZPJMESA-N	0	1	380.444	2.835	50	30		GFEAMN
O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=NNc1cccc(C(F)(F)F)c1	ZINC000100681809	527048063	/nfs/dbraw/zinc/04/80/63/527048063.db2.gz	WTWVPSDZEQZBTP-OYKKKHCWSA-N	0	1	390.321	2.752	50	30		GFEAMN
Cc1nc[nH]c1-c1cc(-c2cc(CN3CCOCC3)cs2)nc(N)c1C#N	ZINC000071748307	570282729	/nfs/dbraw/zinc/28/27/29/570282729.db2.gz	SZMQVJDSTZMGOS-UHFFFAOYSA-N	0	1	380.477	2.795	50	30		GFEAMN
O=[N+]([O-])c1ccc(-c2ccc(CN=Nc3nn[nH]n3)o2)c(Br)c1	ZINC000008377589	654483734	/nfs/dbraw/zinc/48/37/34/654483734.db2.gz	AOXXCTVOTJPEQW-MKMNVTDBSA-N	0	1	378.146	2.576	50	30		GFEAMN
COc1ccc(N2CCN(C(=O)c3cc(C#N)c(=O)[nH]c3C)CC2(C)C)cc1	ZINC000077487629	136172171	/nfs/dbraw/zinc/17/21/71/136172171.db2.gz	RRSXVYCZVUBCCA-UHFFFAOYSA-N	0	1	380.448	2.717	50	30		GFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020057568	521237909	/nfs/dbraw/zinc/23/79/09/521237909.db2.gz	GWSUPQPGPWUMFC-GOSISDBHSA-N	0	1	384.432	2.818	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1C	ZINC000000922295	523560996	/nfs/dbraw/zinc/56/09/96/523560996.db2.gz	OXRWIEYRVGFINH-IBGZPJMESA-N	0	1	395.459	2.539	50	30		GFEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1	ZINC000013693223	524296567	/nfs/dbraw/zinc/29/65/67/524296567.db2.gz	XEFUBVGBUNRATF-LJQANCHMSA-N	0	1	398.434	2.974	50	30		GFEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1	ZINC000102747761	524296984	/nfs/dbraw/zinc/29/69/84/524296984.db2.gz	DADYYVJTAAEIQV-LFVOPCPISA-N	0	1	398.434	2.818	50	30		GFEAMN
Cc1cccc(OS(=O)(=O)[N-]C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1	ZINC000013140361	524769718	/nfs/dbraw/zinc/76/97/18/524769718.db2.gz	RNTSHHDUKIWVND-RDJZCZTQSA-N	0	1	382.482	2.814	50	30		GFEAMN
Cc1cc(C)c(C(=O)C2C(=O)C(=O)OC23C(=O)c2ccccc2C3=O)c(C)c1	ZINC000004009804	570354264	/nfs/dbraw/zinc/35/42/64/570354264.db2.gz	BUFNBBYKZXPHBI-UHFFFAOYSA-N	0	1	376.364	2.981	50	30		GFEAMN
CCOC(=O)C1C(COc2cccc(C#N)c2)=NC(=O)N[C@@H]1c1ccccc1	ZINC000006463340	570441353	/nfs/dbraw/zinc/44/13/53/570441353.db2.gz	WRLYZJLEHDQNAA-LJQANCHMSA-N	0	1	377.400	2.808	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000006786362	570493226	/nfs/dbraw/zinc/49/32/26/570493226.db2.gz	NIIFOGSNGDGZHJ-KRWDZBQOSA-N	0	1	382.372	2.820	50	30		GFEAMN
CCOC(=O)C1C(COc2ccc(C#N)cc2)=NC(=O)N[C@H]1c1ccccc1	ZINC000005183575	570496488	/nfs/dbraw/zinc/49/64/88/570496488.db2.gz	ZDKZRITWRXAOHU-IBGZPJMESA-N	0	1	377.400	2.808	50	30		GFEAMN
COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@H](C)O)ccc1O	ZINC000005408983	570586383	/nfs/dbraw/zinc/58/63/83/570586383.db2.gz	MFKOQFHTRXFXQD-DJJJIMSYSA-N	0	1	397.427	2.668	50	30		GFEAMN
CN(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1cccs1	ZINC000023106609	570905176	/nfs/dbraw/zinc/90/51/76/570905176.db2.gz	MHCXTKDDXNAFLF-CQSZACIVSA-N	0	1	376.869	2.631	50	30		GFEAMN
CCOC(=O)c1csc(C(C#N)C(=O)c2ccnc(Br)c2)n1	ZINC000084800529	571038806	/nfs/dbraw/zinc/03/88/06/571038806.db2.gz	JIYHRDUANRPBPK-SECBINFHSA-N	0	1	380.223	2.967	50	30		GFEAMN
CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccnc(Br)c2)n1	ZINC000084800529	571038808	/nfs/dbraw/zinc/03/88/08/571038808.db2.gz	JIYHRDUANRPBPK-SECBINFHSA-N	0	1	380.223	2.967	50	30		GFEAMN
Cc1cc(C)cc(N2CCC(N3CCN(c4nccnc4C#N)CC3)CC2)c1	ZINC000065397114	136163874	/nfs/dbraw/zinc/16/38/74/136163874.db2.gz	SMNBZQSOIDNKDL-UHFFFAOYSA-N	0	1	376.508	2.756	50	30		GFEAMN
CN(CC#CCNC(=O)C1(c2ccccc2)CCOCC1)Cc1ccccc1	ZINC000085470635	222324243	/nfs/dbraw/zinc/32/42/43/222324243.db2.gz	SHPAAWMTTOSYDT-UHFFFAOYSA-N	0	1	376.500	2.986	50	30		GFEAMN
C=CCOc1ccc(C2=NO[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1OC	ZINC000101306603	519029257	/nfs/dbraw/zinc/02/92/57/519029257.db2.gz	RLVJYGUWIIGPPJ-MJGOQNOKSA-N	0	1	378.384	2.553	50	30		GFEAMN
CCOc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCOC)ccc1O	ZINC000102879799	520780610	/nfs/dbraw/zinc/78/06/10/520780610.db2.gz	IZMLMXQJUZBXDT-WOOAAIBNSA-N	0	1	397.427	2.859	50	30		GFEAMN
CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1	ZINC000006379060	522243647	/nfs/dbraw/zinc/24/36/47/522243647.db2.gz	HKXNNRAHIYDFSV-LJQANCHMSA-N	0	1	380.444	2.713	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@H]2c2ccc(OC)cc2)cc1	ZINC000103867267	523375355	/nfs/dbraw/zinc/37/53/55/523375355.db2.gz	VLNLDEAGBFXZKQ-WOOAAIBNSA-N	0	1	397.427	2.508	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccnc1	ZINC000017139061	523792398	/nfs/dbraw/zinc/79/23/98/523792398.db2.gz	MHWRVPPBAFAJNB-GOSISDBHSA-N	0	1	382.416	2.623	50	30		GFEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102733418	524169050	/nfs/dbraw/zinc/16/90/50/524169050.db2.gz	XEYOYIRIPSHBMS-NHFXJNLRSA-N	0	1	394.471	2.987	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1	ZINC000006238975	570346865	/nfs/dbraw/zinc/34/68/65/570346865.db2.gz	FKZWUXUVBHKKEQ-LJQANCHMSA-N	0	1	397.427	2.929	50	30		GFEAMN
C#CCOC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1	ZINC000036147099	570548991	/nfs/dbraw/zinc/54/89/91/570548991.db2.gz	YHPMCVKCNGDSPW-YADHBBJMSA-N	0	1	396.462	2.832	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)o2)c1	ZINC000005409141	570586487	/nfs/dbraw/zinc/58/64/87/570586487.db2.gz	OJRHFMQCRIWYRG-GHNGSUTGSA-N	0	1	384.432	2.580	50	30		GFEAMN
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N2CCN(C)CC2)nc1	ZINC000014520890	207022225	/nfs/dbraw/zinc/02/22/25/207022225.db2.gz	NRYDHVFZBFVTKE-UHFFFAOYSA-N	0	1	390.447	2.650	50	30		GFEAMN
CC[C@H](C)NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1	ZINC000028616567	207344846	/nfs/dbraw/zinc/34/48/46/207344846.db2.gz	OKTUMCZPTONGNG-JTQLQIEISA-N	0	1	376.869	2.969	50	30		GFEAMN
C=CCOc1ccccc1CN1CCC[C@@H](n2cc(C(=O)NC(C)C)nn2)C1	ZINC000014993475	519071277	/nfs/dbraw/zinc/07/12/77/519071277.db2.gz	NVEZXYOUVXFJKM-GOSISDBHSA-N	0	1	383.496	2.818	50	30		GFEAMN
CC(C)(O)C#Cc1ccc(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)cc1	ZINC000019770654	519330019	/nfs/dbraw/zinc/33/00/19/519330019.db2.gz	BIEUQUIBKMKDGQ-NRFANRHFSA-N	0	1	398.572	2.939	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)cc1	ZINC000005445212	523375413	/nfs/dbraw/zinc/37/54/13/523375413.db2.gz	QQTRTHCRPWLWBU-WOOAAIBNSA-N	0	1	398.434	2.818	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000018086729	525221069	/nfs/dbraw/zinc/22/10/69/525221069.db2.gz	XVGQQHGKOOXVFC-LJQANCHMSA-N	0	1	398.434	2.974	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H](C)O)c(OC)c1	ZINC000006498278	525224945	/nfs/dbraw/zinc/22/49/45/525224945.db2.gz	XPHPDCDWKNWBIS-ORAYPTAESA-N	0	1	397.427	2.663	50	30		GFEAMN
CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000006263427	570352841	/nfs/dbraw/zinc/35/28/41/570352841.db2.gz	UEWPUWJQYSWZEL-MRXNPFEDSA-N	0	1	383.364	2.573	50	30		GFEAMN
N=C(Cc1ccc(Cl)cc1)NOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000004899369	570358799	/nfs/dbraw/zinc/35/87/99/570358799.db2.gz	PTLYCCHHSMEBFB-UHFFFAOYSA-N	0	1	378.728	2.828	50	30		GFEAMN
N#CC1(NC(=O)CN2CCN(Cc3cccc4ccccc43)CC2)CCCC1	ZINC000022803504	570549991	/nfs/dbraw/zinc/54/99/91/570549991.db2.gz	RHMLUKOTEDZTOI-UHFFFAOYSA-N	0	1	376.504	2.910	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccncc1	ZINC000006812688	570617116	/nfs/dbraw/zinc/61/71/16/570617116.db2.gz	DYEFGEWSZWVNCV-LFVOPCPISA-N	0	1	391.427	2.811	50	30		GFEAMN
C=CCn1ncc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2c(C)noc2C)c1C	ZINC000095517102	570996063	/nfs/dbraw/zinc/99/60/63/570996063.db2.gz	GQKFDFWNTWVOMI-PKOBYXMFSA-N	0	1	383.496	2.605	50	30		GFEAMN
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CCSCC1)C2	ZINC000014749312	206246983	/nfs/dbraw/zinc/24/69/83/206246983.db2.gz	HUNWGCOEBLWOSP-QGZVFWFLSA-N	0	1	388.581	2.991	50	30		GFEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020057566	521268995	/nfs/dbraw/zinc/26/89/95/521268995.db2.gz	GWSUPQPGPWUMFC-SFHVURJKSA-N	0	1	384.432	2.818	50	30		GFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(O)cc1	ZINC000103959896	523275409	/nfs/dbraw/zinc/27/54/09/523275409.db2.gz	WQVVVSPCUNTLOW-LFVOPCPISA-N	0	1	397.427	2.859	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000004312190	523549255	/nfs/dbraw/zinc/54/92/55/523549255.db2.gz	YUEAVIYEKBMTHO-GOSISDBHSA-N	0	1	383.400	2.921	50	30		GFEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)s1	ZINC000102495798	526688566	/nfs/dbraw/zinc/68/85/66/526688566.db2.gz	OITVDNSCBAKKHC-SXWSKBOKSA-N	0	1	391.518	2.805	50	30		GFEAMN
O=C(c1ccccc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1	ZINC000102925699	526952004	/nfs/dbraw/zinc/95/20/04/526952004.db2.gz	CMMVRYFMALJWMR-GHNGSUTGSA-N	0	1	398.484	2.502	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000006786242	570493173	/nfs/dbraw/zinc/49/31/73/570493173.db2.gz	NIIFOGSNGDGZHJ-QGZVFWFLSA-N	0	1	382.372	2.820	50	30		GFEAMN
C#CCOC[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1	ZINC000036096041	570535603	/nfs/dbraw/zinc/53/56/03/570535603.db2.gz	FCVUBGQDMGMNEM-HXUWFJFHSA-N	0	1	387.451	2.856	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCO)cc1OC	ZINC000009088859	570548654	/nfs/dbraw/zinc/54/86/54/570548654.db2.gz	DFLXQHVZXXEBAQ-LJQANCHMSA-N	0	1	397.427	2.583	50	30		GFEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H](C)O)ccc1O	ZINC000005409038	570586344	/nfs/dbraw/zinc/58/63/44/570586344.db2.gz	MFKOQFHTRXFXQD-BFUOFWGJSA-N	0	1	397.427	2.668	50	30		GFEAMN
COc1ccc(CC2S/C(=N/N=C\c3ccc([N+](=O)[O-])cc3)NC2=O)cc1	ZINC000016916823	570917363	/nfs/dbraw/zinc/91/73/63/570917363.db2.gz	ULIFOLQMDDUESN-YLRSXTQRSA-N	0	1	384.417	2.768	50	30		GFEAMN
N#Cc1ccccc1CN1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1	ZINC000082146499	208083722	/nfs/dbraw/zinc/08/37/22/208083722.db2.gz	GWSSHLGDLAIIAH-QFIPXVFZSA-N	0	1	377.492	2.729	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000019789092	521755232	/nfs/dbraw/zinc/75/52/32/521755232.db2.gz	FLGMCHMUMMPENU-SFHVURJKSA-N	0	1	395.415	2.735	50	30		GFEAMN
COc1cc(C=NNC2=NC(=O)CS2)ccc1OC(=O)c1cccc(C)c1	ZINC000020034868	521990093	/nfs/dbraw/zinc/99/00/93/521990093.db2.gz	NOCIMZQUVVNXCY-KEBDBYFISA-N	0	1	383.429	2.776	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1C	ZINC000000922302	523556551	/nfs/dbraw/zinc/55/65/51/523556551.db2.gz	OXRWIEYRVGFINH-LJQANCHMSA-N	0	1	395.459	2.539	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102862856	523790710	/nfs/dbraw/zinc/79/07/10/523790710.db2.gz	OQJVVILUKCEQHX-GROYHEBESA-N	0	1	382.372	2.663	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(O)c1	ZINC000004427292	523792855	/nfs/dbraw/zinc/79/28/55/523792855.db2.gz	JVIUCWQOZSXCFY-GOSISDBHSA-N	0	1	383.400	2.626	50	30		GFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000008914273	524108156	/nfs/dbraw/zinc/10/81/56/524108156.db2.gz	UXRVEIZOMJYQFR-GOSISDBHSA-N	0	1	384.432	2.737	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)c1	ZINC000020219609	525782573	/nfs/dbraw/zinc/78/25/73/525782573.db2.gz	GJQBCINFKDRJJZ-IBGZPJMESA-N	0	1	398.434	2.974	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ncccn2)cc1	ZINC000001480925	570242909	/nfs/dbraw/zinc/24/29/09/570242909.db2.gz	ZXFMOMORCJXBPO-MRXNPFEDSA-N	0	1	377.356	2.861	50	30		GFEAMN
COc1ccc(CN2CCN(CC#Cc3ccccc3)C[C@H]2CCO)cc1C	ZINC000104394442	570257799	/nfs/dbraw/zinc/25/77/99/570257799.db2.gz	NMIRJINEXSUNDP-HSZRJFAPSA-N	0	1	378.516	2.924	50	30		GFEAMN
CC[C@H]1CN(C(=O)c2cc(C#N)c(=O)[nH]c2C)CCC(=O)N1Cc1ccccc1	ZINC000071767793	570283507	/nfs/dbraw/zinc/28/35/07/570283507.db2.gz	RTOUIBWOXPANSD-SFHVURJKSA-N	0	1	392.459	2.621	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1cc(OC)ccc1OC	ZINC000006238983	570473414	/nfs/dbraw/zinc/47/34/14/570473414.db2.gz	QRUCQDJDFMNIMB-LJQANCHMSA-N	0	1	397.427	2.929	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1OC	ZINC000009110205	570549214	/nfs/dbraw/zinc/54/92/14/570549214.db2.gz	KLRPNKULBJOGEN-IBGZPJMESA-N	0	1	397.427	2.665	50	30		GFEAMN
C#CCOC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1	ZINC000036147255	570549604	/nfs/dbraw/zinc/54/96/04/570549604.db2.gz	XKZRZKTZRYBWCU-VXKWHMMOSA-N	0	1	396.462	2.832	50	30		GFEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000006812714	570617145	/nfs/dbraw/zinc/61/71/45/570617145.db2.gz	SZOYUCNMSUCPFF-WOOAAIBNSA-N	0	1	396.443	2.828	50	30		GFEAMN
CC(C)Cc1nc(NC(=O)CCN2C(=O)C[C@@](C)(c3ccccc3)C2=O)n[nH]1	ZINC000072404182	570758288	/nfs/dbraw/zinc/75/82/88/570758288.db2.gz	LBZVXANMQYECEG-FQEVSTJZSA-N	0	1	383.452	2.698	50	30		GFEAMN
CC(C)Cc1n[nH]c(NC(=O)CCN2C(=O)C[C@@](C)(c3ccccc3)C2=O)n1	ZINC000072404182	570758291	/nfs/dbraw/zinc/75/82/91/570758291.db2.gz	LBZVXANMQYECEG-FQEVSTJZSA-N	0	1	383.452	2.698	50	30		GFEAMN
Cc1cc(C)nc(NC(=NC(=O)Nc2ccccc2)NCCc2c[nH]cn2)n1	ZINC000014729857	570856989	/nfs/dbraw/zinc/85/69/89/570856989.db2.gz	DFSFQNQMKZOAMJ-UHFFFAOYSA-N	0	1	378.440	2.649	50	30		GFEAMN
COc1ccc(CC2S/C(=N\N=C/c3ccc(N(C)C)cc3)NC2=O)cc1	ZINC000016901278	570917027	/nfs/dbraw/zinc/91/70/27/570917027.db2.gz	NRLCGMQRZJDWDC-PKIWBCANSA-N	0	1	382.489	2.925	50	30		GFEAMN
COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccc(C#N)cc1	ZINC000013135473	654503005	/nfs/dbraw/zinc/50/30/05/654503005.db2.gz	HMONOFNZKYWCCG-UHFFFAOYSA-N	0	1	395.234	2.908	50	30		GFEAMN
CC(=NN1CCOCC1)c1cc(Br)cc(Br)c1O	ZINC000254400373	655435381	/nfs/dbraw/zinc/43/53/81/655435381.db2.gz	LEYHXDNMTORQCI-UHFFFAOYSA-N	0	1	378.064	2.973	50	30		GFEAMN
Cc1cccc(N2CCN(C(=O)CSc3[nH]c(=O)cc(C)c3C#N)CC2)c1C	ZINC000009593162	206793767	/nfs/dbraw/zinc/79/37/67/206793767.db2.gz	ZAGNTBYQOYGHFF-UHFFFAOYSA-N	0	1	396.516	2.613	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccncc1	ZINC000020150189	207180636	/nfs/dbraw/zinc/18/06/36/207180636.db2.gz	LJEKJWMUBDPIMI-LJQANCHMSA-N	0	1	391.427	2.968	50	30		GFEAMN
N#Cc1ccc(NC(=O)CCN2CCN(c3ncnc4sccc43)CC2)cc1	ZINC000123893543	136192469	/nfs/dbraw/zinc/19/24/69/136192469.db2.gz	BWMQLGJFDPYDQS-UHFFFAOYSA-N	0	1	392.488	2.714	50	30		GFEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccncc2)cc1	ZINC000102869335	520317557	/nfs/dbraw/zinc/31/75/57/520317557.db2.gz	DPVQYZDQQPCCSW-LFVOPCPISA-N	0	1	396.443	2.939	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cn(C)c3ccccc23)[C@H]1c1ccco1	ZINC000102750700	521755394	/nfs/dbraw/zinc/75/53/94/521755394.db2.gz	YXOAWKHUHBATCV-LFVOPCPISA-N	0	1	393.443	2.755	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1	ZINC000102930480	521755460	/nfs/dbraw/zinc/75/54/60/521755460.db2.gz	XREGWRJQRNLUAU-GROYHEBESA-N	0	1	385.851	2.718	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)c(C)c1	ZINC000018142367	523556362	/nfs/dbraw/zinc/55/63/62/523556362.db2.gz	FQLOTYDAKXOXLS-LJQANCHMSA-N	0	1	395.459	2.539	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000004311210	523557140	/nfs/dbraw/zinc/55/71/40/523557140.db2.gz	QWMVLUHWELSTNC-LJQANCHMSA-N	0	1	397.427	2.665	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000102804830	523790011	/nfs/dbraw/zinc/79/00/11/523790011.db2.gz	WYRRIDRSFDQMDJ-LFVOPCPISA-N	0	1	397.427	2.777	50	30		GFEAMN
Cc1cc(NN=Cc2cc(Br)ccc2O)nc(N2CCOCC2)n1	ZINC000004837593	525044940	/nfs/dbraw/zinc/04/49/40/525044940.db2.gz	HULGLDWHJAXGOC-VCHYOVAHSA-N	0	1	392.257	2.536	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102929424	525382359	/nfs/dbraw/zinc/38/23/59/525382359.db2.gz	DVMLYHAPRGDUKK-WOOAAIBNSA-N	0	1	380.444	2.679	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H](C)O)cc1OC	ZINC000006728388	525392063	/nfs/dbraw/zinc/39/20/63/525392063.db2.gz	IWSNBTBZIOUKRU-DJJJIMSYSA-N	0	1	397.427	2.663	50	30		GFEAMN
O=[N+]([O-])c1cc2c(cc1C=NNc1nnc3c4ccccc4[nH]c3n1)OCO2	ZINC000015016962	527341691	/nfs/dbraw/zinc/34/16/91/527341691.db2.gz	RIXLIGCUBCRBMW-CNHKJKLMSA-N	0	1	377.320	2.589	50	30		GFEAMN
COc1cc(C=Nn2c(C(F)(F)F)n[nH]c2=S)cc(Br)c1O	ZINC000005543950	551098200	/nfs/dbraw/zinc/09/82/00/551098200.db2.gz	QGCJOGZZTICXPQ-AYSLTRBKSA-N	0	1	397.176	2.945	50	30		GFEAMN
CN(C)c1ccc(/C=N\N=C2\NC(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S2)cc1	ZINC000005009008	570393928	/nfs/dbraw/zinc/39/39/28/570393928.db2.gz	ZGPMMUYFZNAFIM-SYERDGIWSA-N	0	1	397.460	2.825	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccnc1	ZINC000013686154	570667970	/nfs/dbraw/zinc/66/79/70/570667970.db2.gz	OWYQVDIWYFGDMY-LJQANCHMSA-N	0	1	390.443	2.703	50	30		GFEAMN
N=c1[nH]n(C(=O)c2ccccc2)c(N)c1N=Nc1ccc(Br)cc1	ZINC000006060853	209126220	/nfs/dbraw/zinc/12/62/20/209126220.db2.gz	ZZSMBTOEOSOUSS-XVMMMKGPSA-N	0	1	385.225	2.832	50	30		GFEAMN
N#Cc1c(F)cccc1N1CCN(CCC(=O)N2CCc3ccccc32)CC1	ZINC000029859016	207367245	/nfs/dbraw/zinc/36/72/45/207367245.db2.gz	USUQYSUUOLHXNO-UHFFFAOYSA-N	0	1	378.451	2.799	50	30		GFEAMN
N#Cc1c(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)sc2c1CCCC2	ZINC000100479395	208376435	/nfs/dbraw/zinc/37/64/35/208376435.db2.gz	WRALYSMFIKFFEE-NTEUORMPSA-N	0	1	396.428	2.666	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccco1	ZINC000102752165	521754933	/nfs/dbraw/zinc/75/49/33/521754933.db2.gz	NRDIABWCMVPARF-GHNGSUTGSA-N	0	1	379.416	2.744	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000103628337	523370061	/nfs/dbraw/zinc/37/00/61/523370061.db2.gz	KTBVJSKULKHSCC-SELCWUDQSA-N	0	1	383.400	2.764	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccnc1	ZINC000018033780	523792674	/nfs/dbraw/zinc/79/26/74/523792674.db2.gz	SYDHYLBZTDXEHJ-GOSISDBHSA-N	0	1	382.416	2.623	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H](C)O)c(OC)c1	ZINC000013123756	525392115	/nfs/dbraw/zinc/39/21/15/525392115.db2.gz	XPHPDCDWKNWBIS-DJJJIMSYSA-N	0	1	397.427	2.663	50	30		GFEAMN
O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1)c1ccccc1	ZINC000019996899	527671806	/nfs/dbraw/zinc/67/18/06/527671806.db2.gz	DWYOEGXJDISCSO-HXUWFJFHSA-N	0	1	392.455	2.597	50	30		GFEAMN
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCCC#N	ZINC000006441293	570423669	/nfs/dbraw/zinc/42/36/69/570423669.db2.gz	MVTDPXWCAGXPGO-GHRIWEEISA-N	0	1	377.400	2.839	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1F	ZINC000005576864	570659484	/nfs/dbraw/zinc/65/94/84/570659484.db2.gz	SFDLJUURWIAPHX-SELCWUDQSA-N	0	1	386.398	2.948	50	30		GFEAMN
N#Cc1cccnc1-c1cccc(C(=O)NCCCCCN2CCOCC2)c1	ZINC000426421146	231219198	/nfs/dbraw/zinc/21/91/98/231219198.db2.gz	LSABSRSUBGIGDA-UHFFFAOYSA-N	0	1	378.476	2.853	50	30		GFEAMN
C=CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)cc1	ZINC000014010975	209166444	/nfs/dbraw/zinc/16/64/44/209166444.db2.gz	DMUSEUJBMHHKNT-PDGQHHTCSA-N	0	1	379.416	2.751	50	30		GFEAMN
C=CCN1C(=O)NC(=O)C(=C(C)N[C@H](CC)Cc2c[nH]c3ccccc23)C1=O	ZINC000020329028	518838471	/nfs/dbraw/zinc/83/84/71/518838471.db2.gz	WEPCVCHPUPVLIE-QLENYVDCSA-N	0	1	380.448	2.617	50	30		GFEAMN
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)ccc1O	ZINC000017859007	522919033	/nfs/dbraw/zinc/91/90/33/522919033.db2.gz	UQHBTPDLUOCCAY-LJQANCHMSA-N	0	1	396.443	2.541	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102799531	523789759	/nfs/dbraw/zinc/78/97/59/523789759.db2.gz	BESZYDUBNGAFMM-SELCWUDQSA-N	0	1	396.399	2.971	50	30		GFEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000013131012	524171721	/nfs/dbraw/zinc/17/17/21/524171721.db2.gz	ZJYFSBKCUXHACP-IBGZPJMESA-N	0	1	398.434	2.974	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102934833	525383052	/nfs/dbraw/zinc/38/30/52/525383052.db2.gz	GSSMFZGFAAQQHS-NHFXJNLRSA-N	0	1	394.471	2.987	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)C(=O)C(=O)N2CCO)cc1	ZINC000009329592	525383182	/nfs/dbraw/zinc/38/31/82/525383182.db2.gz	LKIHTAAFZPUJHV-YQTMQXCNSA-N	0	1	379.412	2.665	50	30		GFEAMN
CCOC(=O)c1ccc(CC2S/C(=N/N=C/c3ccccc3O)NC2=O)cc1	ZINC000004754472	570403164	/nfs/dbraw/zinc/40/31/64/570403164.db2.gz	NUKVDJJBMZXIDG-KKJJZKEWSA-N	0	1	397.456	2.733	50	30		GFEAMN
COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1C[C@H](C)O	ZINC000005408998	570438227	/nfs/dbraw/zinc/43/82/27/570438227.db2.gz	WWRUGKDYUVYWEH-LIRRHRJNSA-N	0	1	381.428	2.963	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000005408740	570585878	/nfs/dbraw/zinc/58/58/78/570585878.db2.gz	CXTXELSGEOLRRW-SFHVURJKSA-N	0	1	383.400	2.921	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1	ZINC000005799868	570693004	/nfs/dbraw/zinc/69/30/04/570693004.db2.gz	QMDSOEZOGWYQAE-GROYHEBESA-N	0	1	385.851	2.718	50	30		GFEAMN
O=C([N-]S(=O)(=O)Oc1ccccc1F)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000019848904	210302477	/nfs/dbraw/zinc/30/24/77/210302477.db2.gz	SPYYQGYGLQYWQX-DZGCQCFKSA-N	0	1	386.445	2.644	50	30		GFEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000019999638	521424929	/nfs/dbraw/zinc/42/49/29/521424929.db2.gz	IEGJDVJHLZBUKB-SFHVURJKSA-N	0	1	384.432	2.818	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2	ZINC000019880472	521759325	/nfs/dbraw/zinc/75/93/25/521759325.db2.gz	NMWLYUOVLGLMKL-LJQANCHMSA-N	0	1	394.427	2.555	50	30		GFEAMN
CN(CC#CCNS(=O)(=O)c1ccc(F)c(Cl)c1)Cc1ccccc1	ZINC000090590669	522417140	/nfs/dbraw/zinc/41/71/40/522417140.db2.gz	XVIVGCZHYOTWFT-UHFFFAOYSA-N	0	1	380.872	2.893	50	30		GFEAMN
COc1ccc(-c2n[nH]c(NC(=O)[C@@H]3COc4ccccc4O3)n2)c(OC)c1	ZINC000058157651	523173548	/nfs/dbraw/zinc/17/35/48/523173548.db2.gz	PIOCMBQVORJKBO-INIZCTEOSA-N	0	1	382.376	2.917	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1C	ZINC000102925350	523373050	/nfs/dbraw/zinc/37/30/50/523373050.db2.gz	IHMGBYHNXDCTFZ-NHFXJNLRSA-N	0	1	394.471	2.987	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000017778204	523560658	/nfs/dbraw/zinc/56/06/58/523560658.db2.gz	IVOKMRWSEARREH-QGZVFWFLSA-N	0	1	387.819	2.919	50	30		GFEAMN
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000019582792	524171902	/nfs/dbraw/zinc/17/19/02/524171902.db2.gz	RECOENDLZRKGEN-IBGZPJMESA-N	0	1	380.444	2.835	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)c(OC)c1	ZINC000006498279	525223712	/nfs/dbraw/zinc/22/37/12/525223712.db2.gz	XPHPDCDWKNWBIS-BFUOFWGJSA-N	0	1	397.427	2.663	50	30		GFEAMN
C=CCN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O	ZINC000013615996	570661838	/nfs/dbraw/zinc/66/18/38/570661838.db2.gz	CYKPVHTVEHRXNF-XNTDXEJSSA-N	0	1	381.344	2.811	50	30		GFEAMN
COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccccc1C#N	ZINC000004696487	570836725	/nfs/dbraw/zinc/83/67/25/570836725.db2.gz	SBONGUQNSZTFBS-VIZOYTHASA-N	0	1	383.791	2.980	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@H]2c2ccccc2)cc1F	ZINC000016737228	570932199	/nfs/dbraw/zinc/93/21/99/570932199.db2.gz	PLRUBLKWNVLXOM-SFHVURJKSA-N	0	1	385.391	2.795	50	30		GFEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccncc2)cc1	ZINC000102869333	520319350	/nfs/dbraw/zinc/31/93/50/520319350.db2.gz	DPVQYZDQQPCCSW-WOOAAIBNSA-N	0	1	396.443	2.939	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1	ZINC000019789024	521757421	/nfs/dbraw/zinc/75/74/21/521757421.db2.gz	LZLSKIWGOKHXFI-HXUWFJFHSA-N	0	1	393.487	2.893	50	30		GFEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)s1	ZINC000102495788	526688485	/nfs/dbraw/zinc/68/84/85/526688485.db2.gz	OITVDNSCBAKKHC-MRPLLJTBSA-N	0	1	391.518	2.805	50	30		GFEAMN
O=C([N-]S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1	ZINC000079306245	527160540	/nfs/dbraw/zinc/16/05/40/527160540.db2.gz	RATRLVVXXXFBKP-UHFFFAOYSA-N	0	1	393.896	2.707	50	30		GFEAMN
COc1ccc(Br)cc1C=NN1C(=S)N=NC1c1cc(C)n[nH]1	ZINC000005625912	551098338	/nfs/dbraw/zinc/09/83/38/551098338.db2.gz	JUXUXXSPXWCZND-FRKPEAEDSA-N	0	1	393.270	2.919	50	30		GFEAMN
C/C(=N\N=C1\NC(=O)C(Cc2ccccc2)S1)[C@@H]1Cc2ccccc2C(=O)O1	ZINC000005546232	570630782	/nfs/dbraw/zinc/63/07/82/570630782.db2.gz	LGJFSWITYNCNBC-SGASUCAWSA-N	0	1	393.468	2.974	50	30		GFEAMN
C=CCOC[C@H](O)CN[C@@H](c1nc(-c2ccc3c(c2)OCO3)no1)[C@H](C)CC	ZINC000104985655	570911218	/nfs/dbraw/zinc/91/12/18/570911218.db2.gz	GETVPMMIXCAHNG-DDUZABMNSA-N	0	1	389.452	2.706	50	30		GFEAMN
C=CCOC[C@H](O)CN[C@H](c1nc(-c2ccc3c(c2)OCO3)no1)[C@H](C)CC	ZINC000104985659	570911243	/nfs/dbraw/zinc/91/12/43/570911243.db2.gz	GETVPMMIXCAHNG-SIIHOXLZSA-N	0	1	389.452	2.706	50	30		GFEAMN
COc1ccc(CC2S/C(=N/N=C\c3ccc([N+](=O)[O-])cc3)NC2=O)cc1	ZINC000016916829	570917254	/nfs/dbraw/zinc/91/72/54/570917254.db2.gz	ULIFOLQMDDUESN-VXIUPONVSA-N	0	1	384.417	2.768	50	30		GFEAMN
N#Cc1ccc(CN2CCCN(C(=O)c3cc4ccccc4[nH]c3=O)CC2)cc1	ZINC000012938221	210034573	/nfs/dbraw/zinc/03/45/73/210034573.db2.gz	OTOGOKMBBHXTJD-UHFFFAOYSA-N	0	1	386.455	2.748	50	30		GFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccnc2)cc1	ZINC000005844489	209617742	/nfs/dbraw/zinc/61/77/42/209617742.db2.gz	WTQUFCWFBJHLSQ-IBGZPJMESA-N	0	1	394.427	2.871	50	30		GFEAMN
COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCCC1	ZINC000002307834	209356482	/nfs/dbraw/zinc/35/64/82/209356482.db2.gz	HUHIOCRQSOANRY-MRXNPFEDSA-N	0	1	381.480	2.770	50	30		GFEAMN
Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1	ZINC000077424011	211132560	/nfs/dbraw/zinc/13/25/60/211132560.db2.gz	YDEGUBLOLRQKPA-CQSZACIVSA-N	0	1	375.432	2.939	50	30		GFEAMN
CC[C@@H](C)NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1	ZINC000028616565	210530614	/nfs/dbraw/zinc/53/06/14/210530614.db2.gz	OKTUMCZPTONGNG-SNVBAGLBSA-N	0	1	376.869	2.969	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccncc1	ZINC000020150188	210319843	/nfs/dbraw/zinc/31/98/43/210319843.db2.gz	LJEKJWMUBDPIMI-IBGZPJMESA-N	0	1	391.427	2.968	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1C	ZINC000102925353	523375491	/nfs/dbraw/zinc/37/54/91/523375491.db2.gz	IHMGBYHNXDCTFZ-YDJIHCHBSA-N	0	1	394.471	2.987	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1	ZINC000019831283	523554833	/nfs/dbraw/zinc/55/48/33/523554833.db2.gz	MCPLPBZVPNWSGZ-IBGZPJMESA-N	0	1	380.444	2.835	50	30		GFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000013131013	524112540	/nfs/dbraw/zinc/11/25/40/524112540.db2.gz	ZJYFSBKCUXHACP-LJQANCHMSA-N	0	1	398.434	2.974	50	30		GFEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000005576907	524168139	/nfs/dbraw/zinc/16/81/39/524168139.db2.gz	MQDWRRKLSGTPRN-WOOAAIBNSA-N	0	1	398.434	2.818	50	30		GFEAMN
Cc1cccc(OS(=O)(=O)[N-]C(=O)OC[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1	ZINC000013140362	524769840	/nfs/dbraw/zinc/76/98/40/524769840.db2.gz	RNTSHHDUKIWVND-WBVHZDCISA-N	0	1	382.482	2.814	50	30		GFEAMN
C#CCN(Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)[C@H]1CCc2ccccc21	ZINC000048366328	570245967	/nfs/dbraw/zinc/24/59/67/570245967.db2.gz	RNLGPYRCGLEUEZ-IBGZPJMESA-N	0	1	390.443	2.734	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1cc(OC)ccc1OC	ZINC000006239011	570473429	/nfs/dbraw/zinc/47/34/29/570473429.db2.gz	QRUCQDJDFMNIMB-IBGZPJMESA-N	0	1	397.427	2.929	50	30		GFEAMN
CCOC(=O)C1C(COc2ccc(C#N)cc2)=NC(=O)N[C@@H]1c1ccccc1	ZINC000005183558	570496909	/nfs/dbraw/zinc/49/69/09/570496909.db2.gz	ZDKZRITWRXAOHU-LJQANCHMSA-N	0	1	377.400	2.808	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccnc2)cc1	ZINC000019153208	570880065	/nfs/dbraw/zinc/88/00/65/570880065.db2.gz	CXFKLOWNSOBSCH-MJGOQNOKSA-N	0	1	394.427	2.848	50	30		GFEAMN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C	ZINC000252517769	570984030	/nfs/dbraw/zinc/98/40/30/570984030.db2.gz	QUZFHHKGVIRROM-ZACQAIPSSA-N	0	1	392.544	2.953	50	30		GFEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1	ZINC000008740725	221053968	/nfs/dbraw/zinc/05/39/68/221053968.db2.gz	AMUTZVRJOPGYJD-GHNGSUTGSA-N	0	1	398.484	2.502	50	30		GFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102717069	521233526	/nfs/dbraw/zinc/23/35/26/521233526.db2.gz	UKDCVIWCFKMZDL-SELCWUDQSA-N	0	1	384.432	2.662	50	30		GFEAMN
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)c1	ZINC000019973879	521317992	/nfs/dbraw/zinc/31/79/92/521317992.db2.gz	UNDKJPJEBSGCAJ-LJQANCHMSA-N	0	1	395.459	2.620	50	30		GFEAMN
COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1CCO	ZINC000006728378	524802080	/nfs/dbraw/zinc/80/20/80/524802080.db2.gz	WGMDDZKQMLKPEQ-KRWDZBQOSA-N	0	1	387.819	2.919	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1OC	ZINC000102575816	525214415	/nfs/dbraw/zinc/21/44/15/525214415.db2.gz	CVZMBSLMQHRGEH-LFVOPCPISA-N	0	1	397.427	2.508	50	30		GFEAMN
O=C(CC1C(=O)N2CCNC2=C1C(=O)c1ccc(Cl)cc1)Nc1ccccc1	ZINC000101122820	570815247	/nfs/dbraw/zinc/81/52/47/570815247.db2.gz	LEHAWVHCWXBGFX-INIZCTEOSA-N	0	1	395.846	2.825	50	30		GFEAMN
CC[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)N1CCc2ccccc2C1	ZINC000065475176	570822958	/nfs/dbraw/zinc/82/29/58/570822958.db2.gz	CCWBRQQLPJYAAO-OAQYLSRUSA-N	0	1	383.517	2.815	50	30		GFEAMN
C=C(C)CN1CCN(C[C@H](O)CON=C2c3ccccc3-c3ccccc32)CC1	ZINC000019891803	518604781	/nfs/dbraw/zinc/60/47/81/518604781.db2.gz	XGLCTIBCAKEPDC-IBGZPJMESA-N	0	1	391.515	2.991	50	30		GFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccnc2)cc1	ZINC000102563801	519011049	/nfs/dbraw/zinc/01/10/49/519011049.db2.gz	CNVDISPGMYMEGN-LFVOPCPISA-N	0	1	394.427	2.715	50	30		GFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccncc1	ZINC000103984388	523273769	/nfs/dbraw/zinc/27/37/69/523273769.db2.gz	VLEKKJFVRQIODA-WOOAAIBNSA-N	0	1	396.443	2.857	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)cc1C	ZINC000019570994	523556629	/nfs/dbraw/zinc/55/66/29/523556629.db2.gz	NROOYYLBVBOKDK-LJQANCHMSA-N	0	1	395.459	2.539	50	30		GFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102689070	524105683	/nfs/dbraw/zinc/10/56/83/524105683.db2.gz	UUXBKRLJOISNDB-LFVOPCPISA-N	0	1	380.444	2.679	50	30		GFEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)s1	ZINC000102880340	526688713	/nfs/dbraw/zinc/68/87/13/526688713.db2.gz	KEFWXHOUXQTJKC-UYTDBDHRSA-N	0	1	385.489	2.743	50	30		GFEAMN
CCOc1cccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccnc2)c1	ZINC000006134340	521316627	/nfs/dbraw/zinc/31/66/27/521316627.db2.gz	BMTIGSRBRYIJJP-SFHVURJKSA-N	0	1	382.416	2.705	50	30		GFEAMN
CN(CCC#N)C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1	ZINC000005967968	522668070	/nfs/dbraw/zinc/66/80/70/522668070.db2.gz	QKBDKFWQZABMMP-UHFFFAOYSA-N	0	1	380.271	2.698	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000004312191	523549650	/nfs/dbraw/zinc/54/96/50/523549650.db2.gz	YUEAVIYEKBMTHO-SFHVURJKSA-N	0	1	383.400	2.921	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccncc1	ZINC000102896757	523788973	/nfs/dbraw/zinc/78/89/73/523788973.db2.gz	QCIMBHASGFAOSY-WOOAAIBNSA-N	0	1	396.443	2.937	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c1	ZINC000019582765	525782763	/nfs/dbraw/zinc/78/27/63/525782763.db2.gz	RVXKCIAFFZLEFI-KRWDZBQOSA-N	0	1	386.473	2.897	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ncccn2)cc1	ZINC000001480924	570242884	/nfs/dbraw/zinc/24/28/84/570242884.db2.gz	ZXFMOMORCJXBPO-INIZCTEOSA-N	0	1	377.356	2.861	50	30		GFEAMN
N#CC(C(=O)Cc1csc(N2CCNC2=O)n1)c1ccc(C(F)(F)F)cn1	ZINC000048830100	570254541	/nfs/dbraw/zinc/25/45/41/570254541.db2.gz	VYGSPBHUXUBZPD-NSHDSACASA-N	0	1	395.366	2.505	50	30		GFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccnc2)cc1	ZINC000005844465	570796555	/nfs/dbraw/zinc/79/65/55/570796555.db2.gz	WTQUFCWFBJHLSQ-LJQANCHMSA-N	0	1	394.427	2.871	50	30		GFEAMN
CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1	ZINC000084620706	571027311	/nfs/dbraw/zinc/02/73/11/571027311.db2.gz	PVHBTDXDZSGGDQ-UHFFFAOYSA-N	0	1	376.360	2.752	50	30		GFEAMN
Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1	ZINC000091817925	211208907	/nfs/dbraw/zinc/20/89/07/211208907.db2.gz	OFMPWQQVNZXOCJ-JOCHJYFZSA-N	0	1	393.443	2.769	50	30		GFEAMN
COc1ccccc1N1CCN([C@H]2CCCN(c3cccc(C#N)n3)C2)CC1	ZINC000072140223	211073991	/nfs/dbraw/zinc/07/39/91/211073991.db2.gz	LMDSIVQSESCKMK-IBGZPJMESA-N	0	1	377.492	2.753	50	30		GFEAMN
COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@H](C)C1	ZINC000013810179	523343064	/nfs/dbraw/zinc/34/30/64/523343064.db2.gz	JCDQSIUEFOHQCL-BBWFWOEESA-N	0	1	395.507	2.872	50	30		GFEAMN
COc1ccc(C(=N)NOC(=O)c2cccc(I)c2)cc1	ZINC000005102507	523371532	/nfs/dbraw/zinc/37/15/32/523371532.db2.gz	PFRXRPHHYTZQIW-UHFFFAOYSA-N	0	1	396.184	2.777	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1	ZINC000019831281	523555074	/nfs/dbraw/zinc/55/50/74/523555074.db2.gz	MCPLPBZVPNWSGZ-LJQANCHMSA-N	0	1	380.444	2.835	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000006786533	523559366	/nfs/dbraw/zinc/55/93/66/523559366.db2.gz	IVOKMRWSEARREH-KRWDZBQOSA-N	0	1	387.819	2.919	50	30		GFEAMN
COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCN(C)C	ZINC000019880430	524748244	/nfs/dbraw/zinc/74/82/44/524748244.db2.gz	KICURQRJGSBVGS-LJQANCHMSA-N	0	1	380.444	2.835	50	30		GFEAMN
Cc1cccc(OS(=O)(=O)[N-]C(=O)OC[C@H]2CCC[N@H+]3CCCC[C@H]23)c1	ZINC000036034661	524768869	/nfs/dbraw/zinc/76/88/69/524768869.db2.gz	RNTSHHDUKIWVND-NVXWUHKLSA-N	0	1	382.482	2.814	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)C(=O)C(=O)N2CCO)cc1	ZINC000100563460	525216063	/nfs/dbraw/zinc/21/60/63/525216063.db2.gz	NSIDLTZIMYDRKU-ACGJQVIASA-N	0	1	379.412	2.665	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)c1	ZINC000006621463	525758855	/nfs/dbraw/zinc/75/88/55/525758855.db2.gz	YQECISVDUXKZHZ-LFVOPCPISA-N	0	1	398.434	2.818	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)c1	ZINC000020219608	525783583	/nfs/dbraw/zinc/78/35/83/525783583.db2.gz	GJQBCINFKDRJJZ-LJQANCHMSA-N	0	1	398.434	2.974	50	30		GFEAMN
C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1	ZINC000095447836	525918632	/nfs/dbraw/zinc/91/86/32/525918632.db2.gz	ZZODYGZUZFBLJC-CQSZACIVSA-N	0	1	391.449	2.902	50	30		GFEAMN
C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1	ZINC000095447836	525918646	/nfs/dbraw/zinc/91/86/46/525918646.db2.gz	ZZODYGZUZFBLJC-CQSZACIVSA-N	0	1	391.449	2.902	50	30		GFEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)s1	ZINC000102880343	526687869	/nfs/dbraw/zinc/68/78/69/526687869.db2.gz	KEFWXHOUXQTJKC-IBOXJLQUSA-N	0	1	385.489	2.743	50	30		GFEAMN
COc1ccccc1N1CCN([C@@H]2CCCN(c3ncccc3C#N)C2)CC1	ZINC000072157196	537070428	/nfs/dbraw/zinc/07/04/28/537070428.db2.gz	WJIHBSRTWYLCRM-LJQANCHMSA-N	0	1	377.492	2.753	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1OC	ZINC000004906490	570416671	/nfs/dbraw/zinc/41/66/71/570416671.db2.gz	MJDFCHZIOVUTKN-LJQANCHMSA-N	0	1	397.427	2.929	50	30		GFEAMN
C=CCNC(=O)CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S	ZINC000002973718	654439182	/nfs/dbraw/zinc/43/91/82/654439182.db2.gz	GZSKVHLBOUNQML-UHFFFAOYSA-N	0	1	382.283	2.904	50	30		GFEAMN
COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(cc(C)c(=O)n2C)c1	ZINC000254286814	222744846	/nfs/dbraw/zinc/74/48/46/222744846.db2.gz	UEMQPCYDWCSVCU-UHFFFAOYSA-N	0	1	383.429	2.528	50	30	in-vitro	GFEAMN
C=CCn1c(=O)cc(O)nc1SCC(=O)Nc1ccc(Br)cc1	ZINC000002289875	212101054	/nfs/dbraw/zinc/10/10/54/212101054.db2.gz	HVEAMAUJHRJVNM-UHFFFAOYSA-N	0	1	396.266	2.628	50	30		GFEAMN
N#Cc1ccsc1NC(=O)CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1	ZINC000008328173	221038083	/nfs/dbraw/zinc/03/80/83/221038083.db2.gz	DJFWEKDILCZYLS-UHFFFAOYSA-N	0	1	395.488	2.928	50	30		GFEAMN
COCc1cc(=O)[nH]c(NC(=N)Nc2cc(C(F)(F)F)ccc2Cl)n1	ZINC000018163111	221388363	/nfs/dbraw/zinc/38/83/63/221388363.db2.gz	YNECHJRCOBJWJY-UHFFFAOYSA-N	0	1	375.738	2.647	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000019788244	521759548	/nfs/dbraw/zinc/75/95/48/521759548.db2.gz	LQVAYIMSIZSHKH-GOSISDBHSA-N	0	1	395.415	2.735	50	30		GFEAMN
COc1cc(NC(=O)NCC#CCN(C)Cc2ccccc2)cc(OC)c1OC	ZINC000090590657	522693314	/nfs/dbraw/zinc/69/33/14/522693314.db2.gz	PTYFEEGLWXAUDM-UHFFFAOYSA-N	0	1	397.475	2.969	50	30		GFEAMN
COc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1O	ZINC000102886540	522953036	/nfs/dbraw/zinc/95/30/36/522953036.db2.gz	IVSRBRWWFICGOK-HVESIFNPSA-N	0	1	396.355	2.917	50	30		GFEAMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2cccs2)cc1	ZINC000006406668	526025157	/nfs/dbraw/zinc/02/51/57/526025157.db2.gz	MWRDQUWSAXMKHQ-QGZVFWFLSA-N	0	1	387.457	2.644	50	30		GFEAMN
COc1ccccc1-c1n[nH]c(NC(=O)Cc2n[nH]c(=O)c3ccccc23)n1	ZINC000048012177	570218218	/nfs/dbraw/zinc/21/82/18/570218218.db2.gz	OBAUPBIXSFPAKC-UHFFFAOYSA-N	0	1	376.376	2.548	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1	ZINC000020227640	570249031	/nfs/dbraw/zinc/24/90/31/570249031.db2.gz	YQSLJLZJOVPXKU-KRWDZBQOSA-N	0	1	385.851	2.875	50	30		GFEAMN
Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)o1	ZINC000006813300	570617121	/nfs/dbraw/zinc/61/71/21/570617121.db2.gz	LZKLTZYYBDENPY-DPEHCCBOSA-N	0	1	389.477	2.645	50	30		GFEAMN
COc1ccc(-n2c(O)c(C=Nc3ccc(C)c(Cl)c3)c(=O)[nH]c2=O)cc1	ZINC000101581513	570826892	/nfs/dbraw/zinc/82/68/92/570826892.db2.gz	LALDQSFUIQKYEV-UFFVCSGVSA-N	0	1	385.807	2.952	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCO)cc1	ZINC000104129918	570895642	/nfs/dbraw/zinc/89/56/42/570895642.db2.gz	IYNHKIAFDABPFI-WOOAAIBNSA-N	0	1	381.428	2.808	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)o2)c1	ZINC000019216344	570961808	/nfs/dbraw/zinc/96/18/08/570961808.db2.gz	XXKWIHYGLUIOTM-SFHVURJKSA-N	0	1	384.432	2.737	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(OC)c1	ZINC000006239002	230844610	/nfs/dbraw/zinc/84/46/10/230844610.db2.gz	NDZXEEFHMJWGNX-IBGZPJMESA-N	0	1	397.427	2.929	50	30		GFEAMN
C#CCn1c2cc(OC)ccc2cc(CNCc2cccc(OC)c2OC)c1=O	ZINC000014952296	518341757	/nfs/dbraw/zinc/34/17/57/518341757.db2.gz	OYAHGCLNCSSCQU-UHFFFAOYSA-N	0	1	392.455	2.950	50	30		GFEAMN
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)c1	ZINC000019973883	521317950	/nfs/dbraw/zinc/31/79/50/521317950.db2.gz	ZNCLIKZLHUZVQH-LJQANCHMSA-N	0	1	395.459	2.620	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1F	ZINC000102749796	523375123	/nfs/dbraw/zinc/37/51/23/523375123.db2.gz	VQLUWBJTCRVHQL-WOOAAIBNSA-N	0	1	398.434	2.818	50	30		GFEAMN
OCCC#Cc1ccc(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)cc1	ZINC000020539267	570283627	/nfs/dbraw/zinc/28/36/27/570283627.db2.gz	WUSIPVTULJQXGU-NRFANRHFSA-N	0	1	384.545	2.551	50	30		GFEAMN
CCOC(=O)C1C(COc2ccccc2C#N)=NC(=O)N[C@@H]1c1ccccc1	ZINC000004959150	570382103	/nfs/dbraw/zinc/38/21/03/570382103.db2.gz	PYDSFRJJMPLHOA-LJQANCHMSA-N	0	1	377.400	2.808	50	30		GFEAMN
COc1ccc(C(=N)NOC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1	ZINC000035671999	570411614	/nfs/dbraw/zinc/41/16/14/570411614.db2.gz	UGRVBMSWEZSWEI-UHFFFAOYSA-N	0	1	397.475	2.976	50	30		GFEAMN
COc1ccc(CC2S/C(=N/N=C/c3cccc([N+](=O)[O-])c3)NC2=O)cc1	ZINC000004793853	570993666	/nfs/dbraw/zinc/99/36/66/570993666.db2.gz	DQQUXBUSZKMIPQ-YDDPGSGASA-N	0	1	384.417	2.768	50	30		GFEAMN
N#Cc1ccc(N2CCC(NCc3nncn3CCc3ccccc3)CC2)nc1	ZINC000096166221	136184837	/nfs/dbraw/zinc/18/48/37/136184837.db2.gz	MZMPBVMOXIRUBC-UHFFFAOYSA-N	0	1	387.491	2.546	50	30		GFEAMN
COc1ccccc1-c1n[nH]c(NC(=O)Cn2cnc3sccc3c2=O)n1	ZINC000064490195	222072682	/nfs/dbraw/zinc/07/26/82/222072682.db2.gz	SAXFRMWBUHLBEK-UHFFFAOYSA-N	0	1	382.405	2.540	50	30		GFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ncccn2)c1	ZINC000102714994	524106752	/nfs/dbraw/zinc/10/67/52/524106752.db2.gz	HVXNYROCHVKJCH-IBOXJLQUSA-N	0	1	377.356	2.705	50	30		GFEAMN
N=c1[nH]n(C(=O)c2ccncc2)c(N)c1N=Nc1ccc(Cl)cc1Cl	ZINC000025176278	526839458	/nfs/dbraw/zinc/83/94/58/526839458.db2.gz	UKOXOFBIVUPGEW-OQRSZNDZSA-N	0	1	376.207	2.771	50	30		GFEAMN
CN(C)S(=O)(=O)c1ccc(-c2csc(=NN=Cc3cccs3)[nH]2)cc1	ZINC000004899214	551095338	/nfs/dbraw/zinc/09/53/38/551095338.db2.gz	JNFOHDYCMDUKBX-LICLKQGHSA-N	0	1	392.531	2.990	50	30		GFEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000020234269	570249425	/nfs/dbraw/zinc/24/94/25/570249425.db2.gz	WQPIQRMLBWPFEB-IBGZPJMESA-N	0	1	396.443	2.984	50	30		GFEAMN
CC(C)c1nc(N2CCN(C(=O)CN3CCCCC3)CC2)c(C#N)c2c1CCC2	ZINC000006760421	570575072	/nfs/dbraw/zinc/57/50/72/570575072.db2.gz	UIABAKDSLIJFKJ-UHFFFAOYSA-N	0	1	395.551	2.700	50	30		GFEAMN
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(N3CCN(C(C)=O)CC3)cc2)c1O	ZINC000004608350	570662500	/nfs/dbraw/zinc/66/25/00/570662500.db2.gz	RCPKMOIUKNZEOG-FYJGNVAPSA-N	0	1	398.419	2.728	50	30		GFEAMN
CCOc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H](C)O)ccc1O	ZINC000005799599	570693075	/nfs/dbraw/zinc/69/30/75/570693075.db2.gz	XHILBEBZTFKDCP-DJJJIMSYSA-N	0	1	397.427	2.750	50	30		GFEAMN
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C	ZINC000089920293	570919755	/nfs/dbraw/zinc/91/97/55/570919755.db2.gz	QUZFHHKGVIRROM-IXDOHACOSA-N	0	1	392.544	2.953	50	30		GFEAMN
CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(F)cc(F)c1	ZINC000065975209	571032564	/nfs/dbraw/zinc/03/25/64/571032564.db2.gz	OMVDNANCHZINGQ-UHFFFAOYSA-N	0	1	379.432	2.589	50	30		GFEAMN
C=CCc1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)c(OC)c1	ZINC000019790697	212105685	/nfs/dbraw/zinc/10/56/85/212105685.db2.gz	XTMZROZRPQGHAT-OAQYLSRUSA-N	0	1	382.504	2.986	50	30		GFEAMN
COC(=O)C1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1	ZINC000007636697	221003393	/nfs/dbraw/zinc/00/33/93/221003393.db2.gz	GBWHMLHGQUQYSJ-UHFFFAOYSA-N	0	1	375.494	2.712	50	30		GFEAMN
Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1	ZINC000077424014	222280660	/nfs/dbraw/zinc/28/06/60/222280660.db2.gz	YDEGUBLOLRQKPA-AWEZNQCLSA-N	0	1	375.432	2.939	50	30		GFEAMN
C#CCN(Cc1ccc(C)cc1)C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O	ZINC000103817581	518260671	/nfs/dbraw/zinc/26/06/71/518260671.db2.gz	ZKTJXFXLJHOHTK-UHFFFAOYSA-N	0	1	377.469	2.806	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccncc1	ZINC000013731470	521755834	/nfs/dbraw/zinc/75/58/34/521755834.db2.gz	DVAWVYCGQRYCEC-LJQANCHMSA-N	0	1	390.443	2.703	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccn1	ZINC000102737808	521755861	/nfs/dbraw/zinc/75/58/61/521755861.db2.gz	APXLVXGJUBISKL-LFVOPCPISA-N	0	1	390.443	2.546	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000102804827	523790114	/nfs/dbraw/zinc/79/01/14/523790114.db2.gz	WYRRIDRSFDQMDJ-WOOAAIBNSA-N	0	1	397.427	2.777	50	30		GFEAMN
Cc1ccc(N2C(=O)C(=CNc3ccc(C)cc3[N+](=O)[O-])C(=O)NC2=S)cc1	ZINC000100200079	524927623	/nfs/dbraw/zinc/92/76/23/524927623.db2.gz	JHWCAJAXNVXCIF-ANKPHQHTSA-N	0	1	396.428	2.978	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000019939446	525392486	/nfs/dbraw/zinc/39/24/86/525392486.db2.gz	ZCMKYAVYDJEKAW-KRWDZBQOSA-N	0	1	386.473	2.897	50	30		GFEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccnc2)s1	ZINC000102750292	526354895	/nfs/dbraw/zinc/35/48/95/526354895.db2.gz	OVDIPTRTYSHBGP-MNWMYKRDSA-N	0	1	384.442	2.929	50	30		GFEAMN
N#CC(C(=O)NCCN1CCOCC1)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000095455154	526491398	/nfs/dbraw/zinc/49/13/98/526491398.db2.gz	FCSXGYZQHKPKEI-HNNXBMFYSA-N	0	1	390.896	2.519	50	30		GFEAMN
CC(=O)Nc1ccnn1C1CCN(Cc2ccc(C#CC(C)(C)O)s2)CC1	ZINC000011878946	570234047	/nfs/dbraw/zinc/23/40/47/570234047.db2.gz	GCMUGCLBNXTARS-UHFFFAOYSA-N	0	1	386.521	2.863	50	30		GFEAMN
COc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc([N+](=O)[O-])c1O	ZINC000036247109	570398231	/nfs/dbraw/zinc/39/82/31/570398231.db2.gz	CTESQEDXBDQVGC-QGZVFWFLSA-N	0	1	383.360	2.663	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c1	ZINC000005799882	570693078	/nfs/dbraw/zinc/69/30/78/570693078.db2.gz	CIVOGRVVOIPTCO-LFVOPCPISA-N	0	1	380.444	2.679	50	30		GFEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H](C)O)c1	ZINC000019138390	570958963	/nfs/dbraw/zinc/95/89/63/570958963.db2.gz	LJCVXXOCXMFGMI-KUHUBIRLSA-N	0	1	381.428	2.963	50	30		GFEAMN
NC(=NOCc1ccc(-n2cccn2)cc1)c1ccc(N2CCC(O)CC2)cc1	ZINC000170646446	231028353	/nfs/dbraw/zinc/02/83/53/231028353.db2.gz	TZXCTGFDKNHXEK-UHFFFAOYSA-N	0	1	391.475	2.671	50	30		GFEAMN
C=CCN1C(=O)NC(=O)C(=C(C)N[C@@H](CC)Cc2c[nH]c3ccccc23)C1=O	ZINC000020329023	518839366	/nfs/dbraw/zinc/83/93/66/518839366.db2.gz	WEPCVCHPUPVLIE-LUJRCDHRSA-N	0	1	380.448	2.617	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000019880468	521754461	/nfs/dbraw/zinc/75/44/61/521754461.db2.gz	NMWLYUOVLGLMKL-IBGZPJMESA-N	0	1	394.427	2.555	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)cc1	ZINC000005445184	523374609	/nfs/dbraw/zinc/37/46/09/523374609.db2.gz	QQTRTHCRPWLWBU-LFVOPCPISA-N	0	1	398.434	2.818	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)c1	ZINC000005884115	525757489	/nfs/dbraw/zinc/75/74/89/525757489.db2.gz	AHDIKARPYRLQDP-NHFXJNLRSA-N	0	1	394.471	2.987	50	30		GFEAMN
N=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000004811486	526814009	/nfs/dbraw/zinc/81/40/09/526814009.db2.gz	NAAWAAUZEXVLSB-UHFFFAOYSA-N	0	1	378.728	2.828	50	30		GFEAMN
C/C(=N\N=C1\NC(=O)C(Cc2ccccc2)S1)[C@H]1Cc2ccccc2C(=O)O1	ZINC000005546237	570630824	/nfs/dbraw/zinc/63/08/24/570630824.db2.gz	LGJFSWITYNCNBC-XBWYWLENSA-N	0	1	393.468	2.974	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccco1	ZINC000013690139	570668578	/nfs/dbraw/zinc/66/85/78/570668578.db2.gz	QVRLGCPLBALGLK-GOSISDBHSA-N	0	1	379.416	2.901	50	30		GFEAMN
COc1cc(C=Nn2c(=O)c(C)n[nH]c2=S)ccc1OC(=O)c1ccccc1	ZINC000001918389	570826048	/nfs/dbraw/zinc/82/60/48/570826048.db2.gz	JSOZUOHSKJRHRA-RGVLZGJSSA-N	0	1	396.428	2.719	50	30		GFEAMN
COc1ccc(N2CCC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1	ZINC000240551628	570879293	/nfs/dbraw/zinc/87/92/93/570879293.db2.gz	GUZFAAYDZLZBJX-QFIPXVFZSA-N	0	1	390.487	2.884	50	30		GFEAMN
COc1ccc(N2CCCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1	ZINC000240551628	570879296	/nfs/dbraw/zinc/87/92/96/570879296.db2.gz	GUZFAAYDZLZBJX-QFIPXVFZSA-N	0	1	390.487	2.884	50	30		GFEAMN
Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC[C@H](c2nccn2CC2CCC2)C1	ZINC000095497224	222331497	/nfs/dbraw/zinc/33/14/97/222331497.db2.gz	PHRQOGODXVXCAB-INIZCTEOSA-N	0	1	379.464	2.984	50	30		GFEAMN
C=CCOc1ccc(C(=O)N2CCN(CC3CC3)[C@@H](CCO)C2)cc1OCC	ZINC000055358812	519026088	/nfs/dbraw/zinc/02/60/88/519026088.db2.gz	KNLLCQCDBHSMIZ-IBGZPJMESA-N	0	1	388.508	2.569	50	30		GFEAMN
CCCCCCCn1c(NN=Cc2ccccc2O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000102296262	520072701	/nfs/dbraw/zinc/07/27/01/520072701.db2.gz	BMYLMZOTHKLTNC-BKUYFWCQSA-N	0	1	398.467	2.545	50	30		GFEAMN
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)c1	ZINC000019973889	521316423	/nfs/dbraw/zinc/31/64/23/521316423.db2.gz	LXXRLNGHZPAFGM-SFHVURJKSA-N	0	1	384.432	2.818	50	30		GFEAMN
CCOc1nc2ccccc2nc1C(C#N)C(=O)NCc1ccccc1OC	ZINC000005484686	521608506	/nfs/dbraw/zinc/60/85/06/521608506.db2.gz	MVXLVBQLQOVLAH-OAHLLOKOSA-N	0	1	376.416	2.961	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000019582787	521755902	/nfs/dbraw/zinc/75/59/02/521755902.db2.gz	ZBDVBFIPGYHCMX-SFHVURJKSA-N	0	1	395.415	2.735	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000006786350	523796564	/nfs/dbraw/zinc/79/65/64/523796564.db2.gz	MPETWXOICJOTCE-IBGZPJMESA-N	0	1	397.427	2.929	50	30		GFEAMN
COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCN(C)C	ZINC000005445203	524744274	/nfs/dbraw/zinc/74/42/74/524744274.db2.gz	DWEFKHCXUOCKFT-LFVOPCPISA-N	0	1	380.444	2.679	50	30		GFEAMN
Cc1nnc(SCc2cc(=O)[n-]c(NC(=[NH2+])Nc3ccccc3C)n2)s1	ZINC000002436340	570286939	/nfs/dbraw/zinc/28/69/39/570286939.db2.gz	MTQBQWGDCJNHSO-UHFFFAOYSA-N	0	1	387.494	2.589	50	30		GFEAMN
COc1ccccc1CC1S/C(=N\N=C/c2cccc([N+](=O)[O-])c2)NC1=O	ZINC000005201686	570503989	/nfs/dbraw/zinc/50/39/89/570503989.db2.gz	AVXSDMONBPSFJL-VXIUPONVSA-N	0	1	384.417	2.768	50	30		GFEAMN
C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(CCO)CC1	ZINC000020390619	212106220	/nfs/dbraw/zinc/10/62/20/212106220.db2.gz	MVLYUVXPFZKYRA-UHFFFAOYSA-N	0	1	389.503	2.901	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1	ZINC000005489622	523373639	/nfs/dbraw/zinc/37/36/39/523373639.db2.gz	BVLDNKQOKBFKKJ-WOOAAIBNSA-N	0	1	380.444	2.679	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccncc1	ZINC000005045157	523793283	/nfs/dbraw/zinc/79/32/83/523793283.db2.gz	KOMBQMRNCMGUIA-SFHVURJKSA-N	0	1	382.416	2.623	50	30		GFEAMN
CCc1nc(SCC(=O)Nc2ccc(OC)c(Cl)c2)[nH]c(=O)c1C#N	ZINC000005238953	551096889	/nfs/dbraw/zinc/09/68/89/551096889.db2.gz	FKZXFPQRYKOZNX-UHFFFAOYSA-N	0	1	378.841	2.597	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1OC	ZINC000004906493	570416805	/nfs/dbraw/zinc/41/68/05/570416805.db2.gz	MJDFCHZIOVUTKN-IBGZPJMESA-N	0	1	397.427	2.929	50	30		GFEAMN
COc1ccccc1[C@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)N1CCCC1	ZINC000083976226	570986170	/nfs/dbraw/zinc/98/61/70/570986170.db2.gz	GQPALKMFQUKDRS-IBGZPJMESA-N	0	1	392.455	2.729	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000006239013	230844595	/nfs/dbraw/zinc/84/45/95/230844595.db2.gz	IDSSLEMYPWOOHA-SFHVURJKSA-N	0	1	381.384	2.640	50	30		GFEAMN
C[C@@H]1CN(CCCNC(=O)c2cccc(-c3cccc(C#N)n3)c2)C[C@H](C)O1	ZINC000426700114	231253685	/nfs/dbraw/zinc/25/36/85/231253685.db2.gz	WQGNALDWDWKCCS-CALCHBBNSA-N	0	1	378.476	2.849	50	30		GFEAMN
C=CCc1ccccc1OC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	ZINC000096134157	519147213	/nfs/dbraw/zinc/14/72/13/519147213.db2.gz	KGKOYEOMROTYLZ-OAQYLSRUSA-N	0	1	382.504	2.986	50	30		GFEAMN
COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1	ZINC000004812695	523355287	/nfs/dbraw/zinc/35/52/87/523355287.db2.gz	JCDQSIUEFOHQCL-YESZJQIVSA-N	0	1	395.507	2.872	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)c(OC)c1	ZINC000013123755	525389905	/nfs/dbraw/zinc/38/99/05/525389905.db2.gz	XPHPDCDWKNWBIS-YJYMSZOUSA-N	0	1	397.427	2.663	50	30		GFEAMN
O=C(c1ccccc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1	ZINC000017146204	526267828	/nfs/dbraw/zinc/26/78/28/526267828.db2.gz	VOXBPYIBHVHKOX-GOSISDBHSA-N	0	1	398.484	2.659	50	30		GFEAMN
C[S@@](=O)c1cccc(NS(=O)(=O)c2cccc(Br)c2C#N)c1	ZINC000241126111	553087179	/nfs/dbraw/zinc/08/71/79/553087179.db2.gz	JJOUKKZJZCZBFP-OAQYLSRUSA-N	0	1	399.291	2.859	50	30		GFEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000006812695	570617086	/nfs/dbraw/zinc/61/70/86/570617086.db2.gz	SZOYUCNMSUCPFF-LFVOPCPISA-N	0	1	396.443	2.828	50	30		GFEAMN
C#CCCN1CCC(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CC1	ZINC000072313078	570649540	/nfs/dbraw/zinc/64/95/40/570649540.db2.gz	GAQLUWPLJZJPJQ-UHFFFAOYSA-N	0	1	378.391	2.611	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1	ZINC000005799894	570693063	/nfs/dbraw/zinc/69/30/63/570693063.db2.gz	QMDSOEZOGWYQAE-HVESIFNPSA-N	0	1	385.851	2.718	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCO)cc1	ZINC000104129922	570895607	/nfs/dbraw/zinc/89/56/07/570895607.db2.gz	IYNHKIAFDABPFI-LFVOPCPISA-N	0	1	381.428	2.808	50	30		GFEAMN
CSc1ccc2cc(C[N@@H+]3CCC[C@](C)(C#N)C3)c(=O)n(CC(=O)[O-])c2c1	ZINC000534629405	570908704	/nfs/dbraw/zinc/90/87/04/570908704.db2.gz	OLPUOCNROZZDBW-HXUWFJFHSA-N	0	1	385.489	2.934	50	30		GFEAMN
CSc1ccc2cc(C[N@H+]3CCC[C@](C)(C#N)C3)c(=O)n(CC(=O)[O-])c2c1	ZINC000534629405	570908708	/nfs/dbraw/zinc/90/87/08/570908708.db2.gz	OLPUOCNROZZDBW-HXUWFJFHSA-N	0	1	385.489	2.934	50	30		GFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC(C)C)C1=O)O2	ZINC000263586054	570918213	/nfs/dbraw/zinc/91/82/13/570918213.db2.gz	PGCIHVFCXPLDAQ-OQHXPNFOSA-N	0	1	385.416	2.567	50	30		GFEAMN
COc1ccc(CC2S/C(=N\N=C\c3ccc(N(C)C)cc3)NC2=O)cc1	ZINC000005737698	204148657	/nfs/dbraw/zinc/14/86/57/204148657.db2.gz	NRLCGMQRZJDWDC-KOMLCTQHSA-N	0	1	382.489	2.925	50	30		GFEAMN
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000010514893	204335698	/nfs/dbraw/zinc/33/56/98/204335698.db2.gz	CEPYPNARNAPCEL-UHFFFAOYSA-N	0	1	379.825	2.979	50	30		GFEAMN
CN(CC#CCNS(=O)(=O)c1cccc2cccnc21)Cc1ccccc1	ZINC000090590667	522417524	/nfs/dbraw/zinc/41/75/24/522417524.db2.gz	ODFVEBLHJPJFFS-UHFFFAOYSA-N	0	1	379.485	2.649	50	30		GFEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccn2)s1	ZINC000102745852	526354691	/nfs/dbraw/zinc/35/46/91/526354691.db2.gz	RGWWIGLMETZZKL-REQDGWNSSA-N	0	1	384.442	2.929	50	30		GFEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1	ZINC000019884565	526833425	/nfs/dbraw/zinc/83/34/25/526833425.db2.gz	CTYNBVVBUYNCFF-GOSISDBHSA-N	0	1	398.484	2.659	50	30		GFEAMN
C=CCOc1ccccc1[C@H]1NC(=N)Nc2nc3cc4c(cc3n21)OCCCO4	ZINC000012630196	570237953	/nfs/dbraw/zinc/23/79/53/570237953.db2.gz	XCBPOQRIJKXBIB-IBGZPJMESA-N	0	1	391.431	2.859	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1	ZINC000020150161	570244625	/nfs/dbraw/zinc/24/46/25/570244625.db2.gz	CTXDZMPUINOWHS-IBGZPJMESA-N	0	1	391.427	2.968	50	30		GFEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000020234273	570249361	/nfs/dbraw/zinc/24/93/61/570249361.db2.gz	WQPIQRMLBWPFEB-LJQANCHMSA-N	0	1	396.443	2.984	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccnc1	ZINC000013686150	570668146	/nfs/dbraw/zinc/66/81/46/570668146.db2.gz	OWYQVDIWYFGDMY-IBGZPJMESA-N	0	1	390.443	2.703	50	30		GFEAMN
C/C(=N\N=C1\NC(=O)C(Cc2ccccc2)S1)[C@@H]1Cc2ccccc2C(=O)O1	ZINC000005546233	204139469	/nfs/dbraw/zinc/13/94/69/204139469.db2.gz	LGJFSWITYNCNBC-PMOGBOBBSA-N	0	1	393.468	2.974	50	30		GFEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)cc1	ZINC000006812710	204211470	/nfs/dbraw/zinc/21/14/70/204211470.db2.gz	WRVIXYDEMFRWEU-WOOAAIBNSA-N	0	1	396.443	2.828	50	30		GFEAMN
COCCNC1=Nc2ncccc2NC12CCN(C(=O)c1ccccc1C)CC2	ZINC000096309696	522829216	/nfs/dbraw/zinc/82/92/16/522829216.db2.gz	DKIYCJCXBILOGX-UHFFFAOYSA-N	0	1	393.491	2.947	50	30		GFEAMN
COc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1O	ZINC000102886539	522915931	/nfs/dbraw/zinc/91/59/31/522915931.db2.gz	IVSRBRWWFICGOK-GROYHEBESA-N	0	1	396.355	2.917	50	30		GFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102696571	524105018	/nfs/dbraw/zinc/10/50/18/524105018.db2.gz	VZLMQYMEKFGDLU-SELCWUDQSA-N	0	1	384.432	2.580	50	30		GFEAMN
Cc1cc(OCC(=O)ONC(=N)Cc2ccc([N+](=O)[O-])cc2)ccc1Cl	ZINC000004725392	525366697	/nfs/dbraw/zinc/36/66/97/525366697.db2.gz	UCEFLZZHJIFDQI-UHFFFAOYSA-N	0	1	377.784	2.994	50	30		GFEAMN
C#CCOc1ccc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)cc1OCC	ZINC000013942045	570242813	/nfs/dbraw/zinc/24/28/13/570242813.db2.gz	BMENPVJFDZWJOW-ATVHPVEESA-N	0	1	380.375	2.698	50	30		GFEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020234086	570249466	/nfs/dbraw/zinc/24/94/66/570249466.db2.gz	FQZPJSHFKOROSU-IBGZPJMESA-N	0	1	396.443	2.984	50	30		GFEAMN
N#Cc1ccc(NC(=O)CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000030539242	570490951	/nfs/dbraw/zinc/49/09/51/570490951.db2.gz	ZKRRVDNBBNVGMA-UHFFFAOYSA-N	0	1	379.420	2.617	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c1	ZINC000005799908	570692912	/nfs/dbraw/zinc/69/29/12/570692912.db2.gz	CIVOGRVVOIPTCO-WOOAAIBNSA-N	0	1	380.444	2.679	50	30		GFEAMN
COc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc([N+](=O)[O-])c1O	ZINC000018195937	570808598	/nfs/dbraw/zinc/80/85/98/570808598.db2.gz	CFGHHBQMIYUNIB-HNNXBMFYSA-N	0	1	385.380	2.559	50	30		GFEAMN
CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)NC(C)C	ZINC000009077084	204297944	/nfs/dbraw/zinc/29/79/44/204297944.db2.gz	CBZCQOUBAGZYDG-UHFFFAOYSA-N	0	1	376.526	2.674	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102798899	523791862	/nfs/dbraw/zinc/79/18/62/523791862.db2.gz	ZLZLIEYNCHTHBS-GROYHEBESA-N	0	1	382.372	2.663	50	30		GFEAMN
O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=NNc1cccc(C(F)(F)F)c1	ZINC000006229357	570344744	/nfs/dbraw/zinc/34/47/44/570344744.db2.gz	WTWVPSDZEQZBTP-ZVHZXABRSA-N	0	1	390.321	2.752	50	30		GFEAMN
COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H](C)O)ccc1O	ZINC000005408967	570586548	/nfs/dbraw/zinc/58/65/48/570586548.db2.gz	MFKOQFHTRXFXQD-YJYMSZOUSA-N	0	1	397.427	2.668	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccco1	ZINC000013690138	570668685	/nfs/dbraw/zinc/66/86/85/570668685.db2.gz	QVRLGCPLBALGLK-SFHVURJKSA-N	0	1	379.416	2.901	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccnc2)cc1	ZINC000019153205	570879863	/nfs/dbraw/zinc/87/98/63/570879863.db2.gz	CXFKLOWNSOBSCH-HKUYNNGSSA-N	0	1	394.427	2.848	50	30		GFEAMN
COc1ccc(CC2S/C(=N\N=C/c3ccc(N(C)C)cc3)NC2=O)cc1	ZINC000016901280	570917328	/nfs/dbraw/zinc/91/73/28/570917328.db2.gz	NRLCGMQRZJDWDC-LZAZYHHXSA-N	0	1	382.489	2.925	50	30		GFEAMN
CC(=O)c1cccc(NC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1	ZINC000039934618	205044352	/nfs/dbraw/zinc/04/43/52/205044352.db2.gz	CJFKPRZNTIRGJH-UHFFFAOYSA-N	0	1	390.487	2.907	50	30		GFEAMN
COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc([N+](=O)[O-])c1O	ZINC000034858560	521999034	/nfs/dbraw/zinc/99/90/34/521999034.db2.gz	KVHDUFRHMZXQTI-RGVLZGJSSA-N	0	1	382.376	2.857	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCO)cc1	ZINC000006382538	525386285	/nfs/dbraw/zinc/38/62/85/525386285.db2.gz	FDNILILBYJABFE-IBGZPJMESA-N	0	1	381.428	2.964	50	30		GFEAMN
O=C([N-]S(=O)(=O)Oc1cccc(F)c1)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12	ZINC000019848905	527159599	/nfs/dbraw/zinc/15/95/99/527159599.db2.gz	BGRDYKMAFKWCTO-BBRMVZONSA-N	0	1	386.445	2.644	50	30		GFEAMN
COc1cccc([C@@H](CNC(=O)CCc2c(C)nn(CCC#N)c2C)N(C)C)c1	ZINC000029256743	570470890	/nfs/dbraw/zinc/47/08/90/570470890.db2.gz	JWSLUIMDVKQZLL-OAQYLSRUSA-N	0	1	397.523	2.774	50	30		GFEAMN
CCOc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)ccc1O	ZINC000005799597	570693057	/nfs/dbraw/zinc/69/30/57/570693057.db2.gz	XHILBEBZTFKDCP-YJYMSZOUSA-N	0	1	397.427	2.750	50	30		GFEAMN
C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1Cc3ccccc3CN1CC)CC2	ZINC000091461386	570983711	/nfs/dbraw/zinc/98/37/11/570983711.db2.gz	CKPRPOGYWZPDHJ-NRFANRHFSA-N	0	1	395.547	2.850	50	30		GFEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102865295	120381456	/nfs/dbraw/zinc/38/14/56/120381456.db2.gz	JPDKIXVRMPSIBZ-WOOAAIBNSA-N	0	1	398.459	2.970	50	30		GFEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)s1	ZINC000006812780	205783800	/nfs/dbraw/zinc/78/38/00/205783800.db2.gz	IACXLMOTKPXZJJ-INIZCTEOSA-N	0	1	385.489	2.900	50	30		GFEAMN
C=CCN1CC[C@]2(CN(C(=O)Nc3cccc(CC)c3)CCN2C)CCC1=O	ZINC000092028672	518867975	/nfs/dbraw/zinc/86/79/75/518867975.db2.gz	LUHVBUUZWFXDSS-QFIPXVFZSA-N	0	1	384.524	2.966	50	30		GFEAMN
C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(CCO)CC1	ZINC000019807982	519120834	/nfs/dbraw/zinc/12/08/34/519120834.db2.gz	BBGFWNPVVJEEIL-UHFFFAOYSA-N	0	1	375.476	2.510	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000103628346	523371466	/nfs/dbraw/zinc/37/14/66/523371466.db2.gz	KTBVJSKULKHSCC-GHNGSUTGSA-N	0	1	383.400	2.764	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1	ZINC000019938863	523555382	/nfs/dbraw/zinc/55/53/82/523555382.db2.gz	BWIASSVZHNOLEP-IBGZPJMESA-N	0	1	398.434	2.974	50	30		GFEAMN
COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1C[C@@H](C)O	ZINC000004411379	524803021	/nfs/dbraw/zinc/80/30/21/524803021.db2.gz	WWRUGKDYUVYWEH-KUHUBIRLSA-N	0	1	381.428	2.963	50	30		GFEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@H](C)O)ccc1O	ZINC000005409056	570586372	/nfs/dbraw/zinc/58/63/72/570586372.db2.gz	MFKOQFHTRXFXQD-ORAYPTAESA-N	0	1	397.427	2.668	50	30		GFEAMN
C#CCOC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1	ZINC000104984061	570911098	/nfs/dbraw/zinc/91/10/98/570911098.db2.gz	XKZRZKTZRYBWCU-FGZHOGPDSA-N	0	1	396.462	2.832	50	30		GFEAMN
C#CCOC[C@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1	ZINC000104984061	570911101	/nfs/dbraw/zinc/91/11/01/570911101.db2.gz	XKZRZKTZRYBWCU-FGZHOGPDSA-N	0	1	396.462	2.832	50	30		GFEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(O)cc2)cc1	ZINC000016737062	570932279	/nfs/dbraw/zinc/93/22/79/570932279.db2.gz	FCLUXSOELQJKJD-IBGZPJMESA-N	0	1	395.411	2.528	50	30		GFEAMN
Oc1ccc(Cl)cc1C=NN=c1nc(N2CCCC2)[nH]c(N2CCCC2)n1	ZINC000004477997	204046978	/nfs/dbraw/zinc/04/69/78/204046978.db2.gz	IIYCJICZIDGCOM-UDWIEESQSA-N	0	1	387.875	2.877	50	30		GFEAMN
O=C(CC1C(=O)N2CCNC2=C1C(=O)c1ccc(Cl)cc1)Nc1ccccc1	ZINC000007715066	204247833	/nfs/dbraw/zinc/24/78/33/204247833.db2.gz	LEHAWVHCWXBGFX-MRXNPFEDSA-N	0	1	395.846	2.825	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccn1	ZINC000008743263	204287811	/nfs/dbraw/zinc/28/78/11/204287811.db2.gz	YWZVEFAQPNSORN-WOOAAIBNSA-N	0	1	391.427	2.811	50	30		GFEAMN
COc1ccc(CN2CCCN(C(=O)COc3ccc(C#N)cc3)CC2)cc1	ZINC000008772503	204289843	/nfs/dbraw/zinc/28/98/43/204289843.db2.gz	BQLNTTHHUVCTJW-UHFFFAOYSA-N	0	1	379.460	2.680	50	30		GFEAMN
C=CCN1CC[C@@]2(CN(C(=O)Nc3cccc(CC)c3)CCN2C)CCC1=O	ZINC000092028673	518867040	/nfs/dbraw/zinc/86/70/40/518867040.db2.gz	LUHVBUUZWFXDSS-JOCHJYFZSA-N	0	1	384.524	2.966	50	30		GFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccncc2)cc1	ZINC000102556845	519010936	/nfs/dbraw/zinc/01/09/36/519010936.db2.gz	AQDBAHKXYMQJQQ-WOOAAIBNSA-N	0	1	394.427	2.715	50	30		GFEAMN
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)c1	ZINC000019973887	521316403	/nfs/dbraw/zinc/31/64/03/521316403.db2.gz	LXXRLNGHZPAFGM-GOSISDBHSA-N	0	1	384.432	2.818	50	30		GFEAMN
COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCN(C)C	ZINC000005445230	524801495	/nfs/dbraw/zinc/80/14/95/524801495.db2.gz	DWEFKHCXUOCKFT-WOOAAIBNSA-N	0	1	380.444	2.679	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccnc2)cc1	ZINC000019153203	570879976	/nfs/dbraw/zinc/87/99/76/570879976.db2.gz	CXFKLOWNSOBSCH-IEBWSBKVSA-N	0	1	394.427	2.848	50	30		GFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@@H](C)O)c1	ZINC000019138396	570959025	/nfs/dbraw/zinc/95/90/25/570959025.db2.gz	LJCVXXOCXMFGMI-AUUYWEPGSA-N	0	1	381.428	2.963	50	30		GFEAMN
CCOC(=O)C1C(COc2ccccc2C#N)=NC(=O)N[C@H]1c1ccccc1	ZINC000004959151	204096084	/nfs/dbraw/zinc/09/60/84/204096084.db2.gz	PYDSFRJJMPLHOA-IBGZPJMESA-N	0	1	377.400	2.808	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2	ZINC000006238985	204173154	/nfs/dbraw/zinc/17/31/54/204173154.db2.gz	IDSSLEMYPWOOHA-GOSISDBHSA-N	0	1	381.384	2.640	50	30		GFEAMN
COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@@H](C)C1	ZINC000004812697	523354900	/nfs/dbraw/zinc/35/49/00/523354900.db2.gz	JCDQSIUEFOHQCL-BRWVUGGUSA-N	0	1	395.507	2.872	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c(C)c1	ZINC000102882148	523375761	/nfs/dbraw/zinc/37/57/61/523375761.db2.gz	PJCRFYGLQQVIBB-YDJIHCHBSA-N	0	1	394.471	2.987	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(OC)c1	ZINC000102931344	523789130	/nfs/dbraw/zinc/78/91/30/523789130.db2.gz	NWANGTSSIXXQFT-WOOAAIBNSA-N	0	1	397.427	2.772	50	30		GFEAMN
COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1C[C@@H](C)O	ZINC000004103564	524748284	/nfs/dbraw/zinc/74/82/84/524748284.db2.gz	WWRUGKDYUVYWEH-AUUYWEPGSA-N	0	1	381.428	2.963	50	30		GFEAMN
COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCOCC3)C2=O)c1OC	ZINC000020610783	525767046	/nfs/dbraw/zinc/76/70/46/525767046.db2.gz	YBMQLNIOXHMMGP-UNOMPAQXSA-N	0	1	397.427	2.858	50	30		GFEAMN
CC[C@@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(CC)CC1	ZINC000002393951	570482308	/nfs/dbraw/zinc/48/23/08/570482308.db2.gz	FVDICPYKECYOPI-IAGOWNOFSA-N	0	1	395.507	2.968	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)c1	ZINC000005408698	570585785	/nfs/dbraw/zinc/58/57/85/570585785.db2.gz	FAXODOKXPZFNHB-GROYHEBESA-N	0	1	386.473	2.740	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000005445227	204132117	/nfs/dbraw/zinc/13/21/17/204132117.db2.gz	GJXPINHGZJWLEW-GHNGSUTGSA-N	0	1	395.415	2.578	50	30		GFEAMN
COc1ccc(C=NN2C(=S)N=NC2c2cc(C)n[nH]2)cc1Br	ZINC000005625914	204142435	/nfs/dbraw/zinc/14/24/35/204142435.db2.gz	VWVXHNHJWTUXJE-FRKPEAEDSA-N	0	1	393.270	2.919	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102799517	523788796	/nfs/dbraw/zinc/78/87/96/523788796.db2.gz	LBKNZDMLFDCTLQ-SELCWUDQSA-N	0	1	396.399	2.971	50	30		GFEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102696566	524168813	/nfs/dbraw/zinc/16/88/13/524168813.db2.gz	VZLMQYMEKFGDLU-GHNGSUTGSA-N	0	1	384.432	2.580	50	30		GFEAMN
Oc1c(Br)cc(Br)cc1C=NN1CN=NC1=S	ZINC000252477017	553149594	/nfs/dbraw/zinc/14/95/94/553149594.db2.gz	GTOGQILMDGJPBU-UHFFFAOYSA-N	0	1	378.049	2.680	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)c1	ZINC000005800791	570536835	/nfs/dbraw/zinc/53/68/35/570536835.db2.gz	AHDIKARPYRLQDP-YDJIHCHBSA-N	0	1	394.471	2.987	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1	ZINC000006812685	570617098	/nfs/dbraw/zinc/61/70/98/570617098.db2.gz	COOIEKOCJNYORT-LFVOPCPISA-N	0	1	391.427	2.811	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cn(C)c3ccccc23)[C@@H]1c1ccco1	ZINC000013683735	570668587	/nfs/dbraw/zinc/66/85/87/570668587.db2.gz	SWOOJJYFRICRKA-IBGZPJMESA-N	0	1	393.443	2.911	50	30		GFEAMN
N#Cc1ccc(CS(=O)(=O)Nc2cc(C#N)c(Br)cn2)cc1	ZINC000095466346	208191161	/nfs/dbraw/zinc/19/11/61/208191161.db2.gz	VGEVUUCRRZTUPT-UHFFFAOYSA-N	0	1	377.223	2.529	50	30		GFEAMN
C=CCOc1ccc(C(=O)N2CCN(CC3CC3)[C@H](CCO)C2)cc1OCC	ZINC000055358811	519027062	/nfs/dbraw/zinc/02/70/62/519027062.db2.gz	KNLLCQCDBHSMIZ-LJQANCHMSA-N	0	1	388.508	2.569	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccncc1	ZINC000013731467	521755626	/nfs/dbraw/zinc/75/56/26/521755626.db2.gz	DVAWVYCGQRYCEC-IBGZPJMESA-N	0	1	390.443	2.703	50	30		GFEAMN
COCCNC1=Nc2ncccc2NC12CCN(C(=O)CC1CCCC1)CC2	ZINC000096309692	522828460	/nfs/dbraw/zinc/82/84/60/522828460.db2.gz	DJIYHBZAILBWCL-UHFFFAOYSA-N	0	1	385.512	2.905	50	30		GFEAMN
CC(C)(C)OC(=O)N1CCC[C@@H](CN2CCN(c3ncccc3C#N)CC2)C1	ZINC000067376118	534815079	/nfs/dbraw/zinc/81/50/79/534815079.db2.gz	BSUNRLXAJBGWDY-KRWDZBQOSA-N	0	1	385.512	2.722	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000018169368	525388213	/nfs/dbraw/zinc/38/82/13/525388213.db2.gz	XVGQQHGKOOXVFC-IBGZPJMESA-N	0	1	398.434	2.974	50	30		GFEAMN
O=C(c1ccccc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1	ZINC000017146206	526267906	/nfs/dbraw/zinc/26/79/06/526267906.db2.gz	VOXBPYIBHVHKOX-SFHVURJKSA-N	0	1	398.484	2.659	50	30		GFEAMN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCO)[C@@H]1c1ccccc1F	ZINC000100466215	526953143	/nfs/dbraw/zinc/95/31/43/526953143.db2.gz	GZEBEQMEYZHTDM-IBOXJLQUSA-N	0	1	375.783	2.893	50	30		GFEAMN
COc1ccccc1N1CCN([C@@H]2CCCN(c3cccc(C#N)n3)C2)CC1	ZINC000072140222	570312255	/nfs/dbraw/zinc/31/22/55/570312255.db2.gz	LMDSIVQSESCKMK-LJQANCHMSA-N	0	1	377.492	2.753	50	30		GFEAMN
CCOC(=O)c1sc(NC(=O)CSc2n[nH]c(CC)n2)c(C#N)c1C	ZINC000004385295	570726458	/nfs/dbraw/zinc/72/64/58/570726458.db2.gz	QVRICXHAXQYOQU-UHFFFAOYSA-N	0	1	379.467	2.516	50	30		GFEAMN
CCOC(=O)c1sc(NC(=O)CSc2nc(CC)n[nH]2)c(C#N)c1C	ZINC000004385295	570726463	/nfs/dbraw/zinc/72/64/63/570726463.db2.gz	QVRICXHAXQYOQU-UHFFFAOYSA-N	0	1	379.467	2.516	50	30		GFEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(O)cc2)cc1	ZINC000016737064	570932125	/nfs/dbraw/zinc/93/21/25/570932125.db2.gz	FCLUXSOELQJKJD-LJQANCHMSA-N	0	1	395.411	2.528	50	30		GFEAMN
COc1cc([N+](=O)[O-])cc(C=Nc2ccc(NC(=S)NC(C)=O)cc2)c1O	ZINC000001865591	206393739	/nfs/dbraw/zinc/39/37/39/206393739.db2.gz	MTMFZJHBOMWLPS-GIJQJNRQSA-N	0	1	388.405	2.893	50	30		GFEAMN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](c1ccco1)N1CCCCC1	ZINC000032819064	207410255	/nfs/dbraw/zinc/41/02/55/207410255.db2.gz	QBRNVEKKJUPSOT-IBGZPJMESA-N	0	1	396.491	2.732	50	30		GFEAMN
C=C(C)COc1ccc2c(C)c(CC(=O)N3CCc4nc[nH]c4C3)c(=O)oc2c1	ZINC000013551681	518614883	/nfs/dbraw/zinc/61/48/83/518614883.db2.gz	IFUKRSQCCVFBKL-UHFFFAOYSA-N	0	1	393.443	2.907	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)cc1	ZINC000019898518	523557526	/nfs/dbraw/zinc/55/75/26/523557526.db2.gz	QEZMYQQIMGAKDB-IBGZPJMESA-N	0	1	398.434	2.974	50	30		GFEAMN
COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ncccn2)c1	ZINC000102714996	524169628	/nfs/dbraw/zinc/16/96/28/524169628.db2.gz	HVXNYROCHVKJCH-UYTDBDHRSA-N	0	1	377.356	2.705	50	30		GFEAMN
Cc1cc(=NN=Cc2ccc(Br)cc2)nc(N2CCOCC2)[nH]1	ZINC000004811656	551094884	/nfs/dbraw/zinc/09/48/84/551094884.db2.gz	XBSWOZGSCXEESH-WOJGMQOQSA-N	0	1	376.258	2.830	50	30		GFEAMN
C#CCN1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1	ZINC000050024604	570328545	/nfs/dbraw/zinc/32/85/45/570328545.db2.gz	SNWQDNSTKSLFCR-UHFFFAOYSA-N	0	1	379.426	2.699	50	30		GFEAMN
C#CCOC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1	ZINC000036147101	570548966	/nfs/dbraw/zinc/54/89/66/570548966.db2.gz	YHPMCVKCNGDSPW-VXKWHMMOSA-N	0	1	396.462	2.832	50	30		GFEAMN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C	ZINC000252517768	570983861	/nfs/dbraw/zinc/98/38/61/570983861.db2.gz	QUZFHHKGVIRROM-BRWVUGGUSA-N	0	1	392.544	2.953	50	30		GFEAMN
COc1ccc(NC(=O)N2CCN(C3Cc4ccccc4C3)CC2)cc1C#N	ZINC000299783028	209088375	/nfs/dbraw/zinc/08/83/75/209088375.db2.gz	XDHBRUUSCJCJEH-UHFFFAOYSA-N	0	1	376.460	2.884	50	30		GFEAMN
CC#CC(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000055281795	519330238	/nfs/dbraw/zinc/33/02/38/519330238.db2.gz	RWDIYWUSHAUKTI-GOSISDBHSA-N	0	1	379.426	2.842	50	30		GFEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000019999641	521416130	/nfs/dbraw/zinc/41/61/30/521416130.db2.gz	IEGJDVJHLZBUKB-GOSISDBHSA-N	0	1	384.432	2.818	50	30		GFEAMN
COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)ccc1O	ZINC000019880444	522953797	/nfs/dbraw/zinc/95/37/97/522953797.db2.gz	UQHBTPDLUOCCAY-IBGZPJMESA-N	0	1	396.443	2.541	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1F	ZINC000013692363	523554939	/nfs/dbraw/zinc/55/49/39/523554939.db2.gz	JHWNORKLIVZHBP-LJQANCHMSA-N	0	1	398.434	2.974	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000005045085	523790785	/nfs/dbraw/zinc/79/07/85/523790785.db2.gz	KKDALJXJXBPKHC-LJQANCHMSA-N	0	1	397.427	2.934	50	30		GFEAMN
N#Cc1c(N)nc2c(c1-c1ccc(OCCO)cc1)CN(C1CCCC1)CC2	ZINC000072134655	570311716	/nfs/dbraw/zinc/31/17/16/570311716.db2.gz	IGIQVXZFFHRVNE-UHFFFAOYSA-N	0	1	378.476	2.874	50	30		GFEAMN
CCOC(=O)c1ccc(CC2S/C(=N/N=C/c3ccc(O)cc3)NC2=O)cc1	ZINC000004754433	570403136	/nfs/dbraw/zinc/40/31/36/570403136.db2.gz	QWNYIBQTPYKQDJ-KKJJZKEWSA-N	0	1	397.456	2.733	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000005408727	570585887	/nfs/dbraw/zinc/58/58/87/570585887.db2.gz	CXTXELSGEOLRRW-GOSISDBHSA-N	0	1	383.400	2.921	50	30		GFEAMN
COc1ccc(-c2n[nH]c(NC(=O)CNC(=O)c3ccccc3)n2)cc1OC	ZINC000012782304	571036206	/nfs/dbraw/zinc/03/62/06/571036206.db2.gz	IYSOXXVFYMKEBI-UHFFFAOYSA-N	0	1	381.392	2.507	50	30		GFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccncc2)cc1	ZINC000102556835	519010075	/nfs/dbraw/zinc/01/00/75/519010075.db2.gz	AQDBAHKXYMQJQQ-LFVOPCPISA-N	0	1	394.427	2.715	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccco1	ZINC000102752161	521754606	/nfs/dbraw/zinc/75/46/06/521754606.db2.gz	NRDIABWCMVPARF-SELCWUDQSA-N	0	1	379.416	2.744	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000005045086	523791178	/nfs/dbraw/zinc/79/11/78/523791178.db2.gz	KKDALJXJXBPKHC-IBGZPJMESA-N	0	1	397.427	2.934	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000006786215	523796612	/nfs/dbraw/zinc/79/66/12/523796612.db2.gz	DSFWTCMODNXPRT-GOSISDBHSA-N	0	1	383.400	2.626	50	30		GFEAMN
Cc1cc(-c2n[nH]c(=S)n2N=Cc2cc(Br)ccc2O)n[nH]1	ZINC000005456181	551097479	/nfs/dbraw/zinc/09/74/79/551097479.db2.gz	JYJCNIPRLALXIY-GIDUJCDVSA-N	0	1	379.243	2.990	50	30		GFEAMN
Cc1cc(N(CCC#N)C(=O)CSc2nc(N)cc(N)n2)ccc1Cl	ZINC000031820307	551130940	/nfs/dbraw/zinc/13/09/40/551130940.db2.gz	OQQRBTLOXUDVTG-UHFFFAOYSA-N	0	1	376.873	2.642	50	30		GFEAMN
O=C(COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1)N1CCOCC1	ZINC000023382711	570359836	/nfs/dbraw/zinc/35/98/36/570359836.db2.gz	QBQAOBNNLOGATF-FYJGNVAPSA-N	0	1	396.472	2.980	50	30		GFEAMN
O=C(COc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1)N1CCOCC1	ZINC000023382711	570359839	/nfs/dbraw/zinc/35/98/39/570359839.db2.gz	QBQAOBNNLOGATF-FYJGNVAPSA-N	0	1	396.472	2.980	50	30		GFEAMN
CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1cc2ccccc2o1	ZINC000575621107	570370772	/nfs/dbraw/zinc/37/07/72/570370772.db2.gz	NMDONTUTGBJCRN-QGZVFWFLSA-N	0	1	376.416	2.662	50	30		GFEAMN
COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ncccn2)c1	ZINC000008744075	570539421	/nfs/dbraw/zinc/53/94/21/570539421.db2.gz	DTSHOGNPRXMURF-INIZCTEOSA-N	0	1	377.356	2.861	50	30		GFEAMN
Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)c1	ZINC000013065775	570744762	/nfs/dbraw/zinc/74/47/62/570744762.db2.gz	ZWCBZDOLMLDGDT-LJQANCHMSA-N	0	1	379.460	2.838	50	30		GFEAMN
N#Cc1ccccc1CN1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CCC1	ZINC000095520774	208218722	/nfs/dbraw/zinc/21/87/22/208218722.db2.gz	VYXIAGACVPDULQ-UHFFFAOYSA-N	0	1	389.503	2.957	50	30		GFEAMN
CC(C)(O)C#Cc1ccc(CN2CCN(Cc3cccs3)[C@H](CCO)C2)cc1	ZINC000039466582	209093558	/nfs/dbraw/zinc/09/35/58/209093558.db2.gz	BIEUQUIBKMKDGQ-OAQYLSRUSA-N	0	1	398.572	2.939	50	30		GFEAMN
CC#CC(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000055281792	519330671	/nfs/dbraw/zinc/33/06/71/519330671.db2.gz	RWDIYWUSHAUKTI-SFHVURJKSA-N	0	1	379.426	2.842	50	30		GFEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1	ZINC000020232459	520875900	/nfs/dbraw/zinc/87/59/00/520875900.db2.gz	LZLJTJXHZBADCA-IBGZPJMESA-N	0	1	395.459	2.620	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccn1	ZINC000013725558	521754286	/nfs/dbraw/zinc/75/42/86/521754286.db2.gz	QDFVXMCOOYIMOW-LJQANCHMSA-N	0	1	390.443	2.703	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c(C)c1	ZINC000102882146	523374039	/nfs/dbraw/zinc/37/40/39/523374039.db2.gz	PJCRFYGLQQVIBB-NHFXJNLRSA-N	0	1	394.471	2.987	50	30		GFEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccco1	ZINC000013719040	524297424	/nfs/dbraw/zinc/29/74/24/524297424.db2.gz	NZYSYLUTUNACPG-KRWDZBQOSA-N	0	1	388.395	2.567	50	30		GFEAMN
COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3CN3CCOCC3)C2=O)c1	ZINC000022625750	524801420	/nfs/dbraw/zinc/80/14/20/524801420.db2.gz	NQHJDLKFWZTXHL-NDENLUEZSA-N	0	1	397.427	2.858	50	30		GFEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H](C)O)c1	ZINC000006728393	524891705	/nfs/dbraw/zinc/89/17/05/524891705.db2.gz	RFHQTPFJDQKXTN-ORAYPTAESA-N	0	1	397.427	2.663	50	30		GFEAMN
Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)o1	ZINC000020219221	525789654	/nfs/dbraw/zinc/78/96/54/525789654.db2.gz	KYHHZZPBYALQCR-OAHLLOKOSA-N	0	1	389.477	2.801	50	30		GFEAMN
O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccccn1)c1ccc(F)cc1	ZINC000004626069	526268460	/nfs/dbraw/zinc/26/84/60/526268460.db2.gz	KQJDYICZPVIYSL-GOSISDBHSA-N	0	1	392.390	2.765	50	30		GFEAMN
N=C(Cc1ccc(Cl)cc1)NOC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004680655	526814718	/nfs/dbraw/zinc/81/47/18/526814718.db2.gz	PUOGIGKZXLDHFK-UHFFFAOYSA-N	0	1	378.728	2.828	50	30		GFEAMN
CCCCCCCn1c(NN=Cc2ccccc2O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000097944127	528138783	/nfs/dbraw/zinc/13/87/83/528138783.db2.gz	BMYLMZOTHKLTNC-FYJGNVAPSA-N	0	1	398.467	2.545	50	30		GFEAMN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ncccn5)CC4)[C@H]3C[C@H]12	ZINC000061997757	570553818	/nfs/dbraw/zinc/55/38/18/570553818.db2.gz	XYKSVNDXUQWESH-ZJQTUCFNSA-N	0	1	396.535	2.913	50	30		GFEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)cc1	ZINC000006812691	570616991	/nfs/dbraw/zinc/61/69/91/570616991.db2.gz	WRVIXYDEMFRWEU-LFVOPCPISA-N	0	1	396.443	2.828	50	30		GFEAMN
C/C(=N\N=C1\NC(=O)C(Cc2ccccc2)S1)[C@H]1Cc2ccccc2C(=O)O1	ZINC000005546235	570630817	/nfs/dbraw/zinc/63/08/17/570630817.db2.gz	LGJFSWITYNCNBC-WKVCWDCFSA-N	0	1	393.468	2.974	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cn(C)c3ccccc23)[C@H]1c1ccco1	ZINC000013683739	570668623	/nfs/dbraw/zinc/66/86/23/570668623.db2.gz	SWOOJJYFRICRKA-LJQANCHMSA-N	0	1	393.443	2.911	50	30		GFEAMN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](c1ccco1)N1CCCCC1	ZINC000032819063	570841116	/nfs/dbraw/zinc/84/11/16/570841116.db2.gz	QBRNVEKKJUPSOT-LJQANCHMSA-N	0	1	396.491	2.732	50	30		GFEAMN
CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1	ZINC000002313213	206408081	/nfs/dbraw/zinc/40/80/81/206408081.db2.gz	IUTVDIBUWNAFGS-MRXNPFEDSA-N	0	1	381.480	2.770	50	30		GFEAMN
COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCCC1	ZINC000002307833	206408810	/nfs/dbraw/zinc/40/88/10/206408810.db2.gz	HUHIOCRQSOANRY-INIZCTEOSA-N	0	1	381.480	2.770	50	30		GFEAMN
O=C([N-]S(=O)(=O)Oc1cccc(F)c1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000019848906	207165839	/nfs/dbraw/zinc/16/58/39/207165839.db2.gz	BGRDYKMAFKWCTO-XJKSGUPXSA-N	0	1	386.445	2.644	50	30		GFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccncc2)cc1	ZINC000009359982	519022481	/nfs/dbraw/zinc/02/24/81/519022481.db2.gz	BEBYKRMKSNNECQ-LJQANCHMSA-N	0	1	394.427	2.871	50	30		GFEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCO)ccc1O	ZINC000018042098	520775284	/nfs/dbraw/zinc/77/52/84/520775284.db2.gz	VZTJHNCVMQIXPU-LJQANCHMSA-N	0	1	397.427	2.670	50	30		GFEAMN
COc1cnc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)nc1	ZINC000100684653	524908786	/nfs/dbraw/zinc/90/87/86/524908786.db2.gz	STALPJYIUNSTLK-VXLYETTFSA-N	0	1	384.417	2.742	50	30		GFEAMN
CCN1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)CC1	ZINC000022932411	570379918	/nfs/dbraw/zinc/37/99/18/570379918.db2.gz	BDOTZTJKQBHYTN-UHFFFAOYSA-N	0	1	395.507	2.550	50	30		GFEAMN
Cc1cc(Cl)ccc1OCC(=O)ONC(=N)Cc1ccc([N+](=O)[O-])cc1	ZINC000004689780	570393447	/nfs/dbraw/zinc/39/34/47/570393447.db2.gz	CZLYLYAIKOBRIR-UHFFFAOYSA-N	0	1	377.784	2.994	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccn1	ZINC000008743262	570539637	/nfs/dbraw/zinc/53/96/37/570539637.db2.gz	YWZVEFAQPNSORN-LFVOPCPISA-N	0	1	391.427	2.811	50	30		GFEAMN
C=CCOC[C@@H](O)CN(CCc1nc(-c2ccccc2)no1)Cc1ccco1	ZINC000036147664	570549432	/nfs/dbraw/zinc/54/94/32/570549432.db2.gz	FEXKKZVCXBORGB-SFHVURJKSA-N	0	1	383.448	2.938	50	30		GFEAMN
C=CCc1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c(OC)c1	ZINC000019790701	519139852	/nfs/dbraw/zinc/13/98/52/519139852.db2.gz	IQVQDYRAPICAQE-QFIPXVFZSA-N	0	1	396.531	2.981	50	30		GFEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccnc2)cc1	ZINC000102868856	520318466	/nfs/dbraw/zinc/31/84/66/520318466.db2.gz	GEXLXPROXAIDAB-LFVOPCPISA-N	0	1	396.443	2.939	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccn1	ZINC000102737811	521756204	/nfs/dbraw/zinc/75/62/04/521756204.db2.gz	APXLVXGJUBISKL-WOOAAIBNSA-N	0	1	390.443	2.546	50	30		GFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(O)cc1	ZINC000103959901	523275145	/nfs/dbraw/zinc/27/51/45/523275145.db2.gz	WQVVVSPCUNTLOW-WOOAAIBNSA-N	0	1	397.427	2.859	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccnc1	ZINC000102883893	523789199	/nfs/dbraw/zinc/78/91/99/523789199.db2.gz	AUCCQBXUTLAVPA-LFVOPCPISA-N	0	1	396.443	2.937	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccnc1	ZINC000102883892	523789499	/nfs/dbraw/zinc/78/94/99/523789499.db2.gz	AUCCQBXUTLAVPA-WOOAAIBNSA-N	0	1	396.443	2.937	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@H]1c1ccc(O)c(OC)c1	ZINC000102862590	523790733	/nfs/dbraw/zinc/79/07/33/523790733.db2.gz	BTSCHUXOELPEKJ-IBOXJLQUSA-N	0	1	389.429	2.530	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000018023886	525224070	/nfs/dbraw/zinc/22/40/70/525224070.db2.gz	XDORZHMSUPGPDO-LJQANCHMSA-N	0	1	380.444	2.835	50	30		GFEAMN
C=CCn1c(C[N@@H+]2CCC[C@H](c3ccnn3CC(=O)[O-])C2)nc2ccccc21	ZINC000426489633	527321299	/nfs/dbraw/zinc/32/12/99/527321299.db2.gz	LBHUIUACPVOVOS-INIZCTEOSA-N	0	1	379.464	2.883	50	30		GFEAMN
O=[N+]([O-])c1ccc(NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)c([N+](=O)[O-])c1	ZINC000100003664	527359634	/nfs/dbraw/zinc/35/96/34/527359634.db2.gz	RIPBCLRGAMLVAF-GIDUJCDVSA-N	0	1	375.253	2.586	50	30		GFEAMN
CCOC(=O)c1ccc(CC2S/C(=N/N=C/c3ccccc3O)NC2=O)cc1	ZINC000004754473	528223589	/nfs/dbraw/zinc/22/35/89/528223589.db2.gz	NUKVDJJBMZXIDG-RHLNUJDMSA-N	0	1	397.456	2.733	50	30		GFEAMN
N#Cc1cc2c([nH]c1=O)CCN(C(=O)CCc1ccccc1Br)C2	ZINC000225681931	553060012	/nfs/dbraw/zinc/06/00/12/553060012.db2.gz	ZDVARIOIDKTPCG-UHFFFAOYSA-N	0	1	386.249	2.527	50	30		GFEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCO)ccc1O	ZINC000005408523	570437735	/nfs/dbraw/zinc/43/77/35/570437735.db2.gz	VZTJHNCVMQIXPU-IBGZPJMESA-N	0	1	397.427	2.670	50	30		GFEAMN
CC[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)N1CCc2ccccc2C1	ZINC000065475175	570823005	/nfs/dbraw/zinc/82/30/05/570823005.db2.gz	CCWBRQQLPJYAAO-NRFANRHFSA-N	0	1	383.517	2.815	50	30		GFEAMN
C=CC[N@@H+]1C[C@@H]2CN(Cc3cc(OC)c(OCC)cc3Cl)C[C@]2(C(=O)[O-])C1	ZINC000096149397	570998939	/nfs/dbraw/zinc/99/89/39/570998939.db2.gz	IIFZVLXCIBABHF-FOIQADDNSA-N	0	1	394.899	2.752	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1	ZINC000020227642	207184260	/nfs/dbraw/zinc/18/42/60/207184260.db2.gz	YQSLJLZJOVPXKU-QGZVFWFLSA-N	0	1	385.851	2.875	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1	ZINC000019882794	521754836	/nfs/dbraw/zinc/75/48/36/521754836.db2.gz	OLIKXOFGXTVKCJ-QGZVFWFLSA-N	0	1	385.851	2.875	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000104097150	523369464	/nfs/dbraw/zinc/36/94/64/523369464.db2.gz	NDXOERLRDZPRDT-GHNGSUTGSA-N	0	1	383.400	2.764	50	30		GFEAMN
COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCOCC3)C2=O)cc1OC	ZINC000022625736	523421200	/nfs/dbraw/zinc/42/12/00/523421200.db2.gz	ICIPVCXYQZZOSY-NDENLUEZSA-N	0	1	397.427	2.858	50	30		GFEAMN
Cc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000009360289	525790606	/nfs/dbraw/zinc/79/06/06/525790606.db2.gz	CGBONGOABLERNL-QGZVFWFLSA-N	0	1	387.457	2.644	50	30		GFEAMN
Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)o1	ZINC000020219220	525985543	/nfs/dbraw/zinc/98/55/43/525985543.db2.gz	KYHHZZPBYALQCR-HNNXBMFYSA-N	0	1	389.477	2.801	50	30		GFEAMN
CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1	ZINC000004860334	570413340	/nfs/dbraw/zinc/41/33/40/570413340.db2.gz	SYKYHMVZDRINRP-XHSDSOJGSA-N	0	1	381.480	2.767	50	30		GFEAMN
COc1cccc(CC2S/C(=N\N=C\c3ccc([N+](=O)[O-])cc3)NC2=O)c1	ZINC000006458107	570426911	/nfs/dbraw/zinc/42/69/11/570426911.db2.gz	NXDPJWMPHKLUNG-ZVCOJXFSSA-N	0	1	384.417	2.768	50	30		GFEAMN
CN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(C#N)cc2)CC1	ZINC000005200863	570504899	/nfs/dbraw/zinc/50/48/99/570504899.db2.gz	XSJZCGRZADGTBJ-UHFFFAOYSA-N	0	1	384.867	2.981	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000005445195	570595076	/nfs/dbraw/zinc/59/50/76/570595076.db2.gz	GJXPINHGZJWLEW-SELCWUDQSA-N	0	1	395.415	2.578	50	30		GFEAMN
CCOc1cccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccncc2)c1	ZINC000013119703	570746978	/nfs/dbraw/zinc/74/69/78/570746978.db2.gz	MVTAZMNTZBPQLJ-GOSISDBHSA-N	0	1	382.416	2.705	50	30		GFEAMN
N#CC(c1nc2ccccc2nc1N1CCOCC1)S(=O)(=O)c1ccccc1	ZINC000002265937	209353554	/nfs/dbraw/zinc/35/35/54/209353554.db2.gz	ZSMDFXKJRWWJLO-SFHVURJKSA-N	0	1	394.456	2.505	50	30		GFEAMN
C#CCN(Cc1c(C(=O)N2CCOCC2)nc2c(C)cccn12)C1CCCCC1	ZINC000019227597	209172125	/nfs/dbraw/zinc/17/21/25/209172125.db2.gz	MZKKQHACLDVFEM-UHFFFAOYSA-N	0	1	394.519	2.883	50	30		GFEAMN
C=CCc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)c(OC)c1	ZINC000019790696	519139624	/nfs/dbraw/zinc/13/96/24/519139624.db2.gz	XTMZROZRPQGHAT-NRFANRHFSA-N	0	1	382.504	2.986	50	30		GFEAMN
COc1cc(C=NNC2=NC(=O)CS2)ccc1OC(=O)c1ccccc1C	ZINC000020034880	521989299	/nfs/dbraw/zinc/98/92/99/521989299.db2.gz	KRTZWYFEPMKHPZ-KEBDBYFISA-N	0	1	383.429	2.776	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)cc1	ZINC000019938862	523557453	/nfs/dbraw/zinc/55/74/53/523557453.db2.gz	BWIASSVZHNOLEP-LJQANCHMSA-N	0	1	398.434	2.974	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)cc1	ZINC000019898516	523558035	/nfs/dbraw/zinc/55/80/35/523558035.db2.gz	QEZMYQQIMGAKDB-LJQANCHMSA-N	0	1	398.434	2.974	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccncc1	ZINC000005027666	523792971	/nfs/dbraw/zinc/79/29/71/523792971.db2.gz	CRSKQMKUKCKKFX-SFHVURJKSA-N	0	1	382.416	2.623	50	30		GFEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)c1	ZINC000006728395	524891318	/nfs/dbraw/zinc/89/13/18/524891318.db2.gz	RFHQTPFJDQKXTN-BFUOFWGJSA-N	0	1	397.427	2.663	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000019939448	525225172	/nfs/dbraw/zinc/22/51/72/525225172.db2.gz	ZCMKYAVYDJEKAW-QGZVFWFLSA-N	0	1	386.473	2.897	50	30		GFEAMN
Cc1c(C=[NH+][N-]c2nnc3c4ccccc4[nH]c3n2)c(=O)n(-c2ccccc2)n1C	ZINC000015015369	525519113	/nfs/dbraw/zinc/51/91/13/525519113.db2.gz	LYFYQJKFQLIOJR-WSDLNYQXSA-N	0	1	398.430	2.750	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)c1	ZINC000006621470	525758260	/nfs/dbraw/zinc/75/82/60/525758260.db2.gz	YQECISVDUXKZHZ-WOOAAIBNSA-N	0	1	398.434	2.818	50	30		GFEAMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2cccs2)cc1	ZINC000006406229	526024612	/nfs/dbraw/zinc/02/46/12/526024612.db2.gz	MWRDQUWSAXMKHQ-KRWDZBQOSA-N	0	1	387.457	2.644	50	30		GFEAMN
CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000006263422	570352809	/nfs/dbraw/zinc/35/28/09/570352809.db2.gz	UEWPUWJQYSWZEL-INIZCTEOSA-N	0	1	383.364	2.573	50	30		GFEAMN
CCc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[nH]c(=O)c1C#N	ZINC000005238949	570524329	/nfs/dbraw/zinc/52/43/29/570524329.db2.gz	JJWKWYHJBCVYGJ-UHFFFAOYSA-N	0	1	382.367	2.954	50	30		GFEAMN
C=CCOC[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1	ZINC000036098497	570536466	/nfs/dbraw/zinc/53/64/66/570536466.db2.gz	LAPAEYGLPDQRFS-LJQANCHMSA-N	0	1	385.460	2.990	50	30		GFEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000006812712	570617171	/nfs/dbraw/zinc/61/71/71/570617171.db2.gz	JDBCZLWXKGEKTG-WOOAAIBNSA-N	0	1	396.443	2.828	50	30		GFEAMN
CCN(CCC(=O)Nc1sccc1C#N)CC(=O)NCc1cccs1	ZINC000023218080	570977919	/nfs/dbraw/zinc/97/79/19/570977919.db2.gz	XIHPNHMIHYVQCC-UHFFFAOYSA-N	0	1	376.507	2.648	50	30		GFEAMN
CC(C)(O)C#Cc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)cc1	ZINC000022932688	209175202	/nfs/dbraw/zinc/17/52/02/209175202.db2.gz	UNWQKFBEZBYDFT-DEOSSOPVSA-N	0	1	392.543	2.878	50	30		GFEAMN
C#CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1	ZINC000005826395	209143302	/nfs/dbraw/zinc/14/33/02/209143302.db2.gz	DVZRCRHUWRAKEF-ATVHPVEESA-N	0	1	380.400	2.669	50	30		GFEAMN
Cc1oc2ncn(CCN3CCCC3)c(=O)c2c1C(=O)Nc1ccc(C#N)cc1	ZINC000096134210	211307099	/nfs/dbraw/zinc/30/70/99/211307099.db2.gz	WXGBEGHAJNVTFF-UHFFFAOYSA-N	0	1	391.431	2.518	50	30		GFEAMN
N#Cc1ccccc1CN1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1	ZINC000091665383	211202577	/nfs/dbraw/zinc/20/25/77/211202577.db2.gz	IAVAGDJSUYAYCL-UHFFFAOYSA-N	0	1	375.476	2.567	50	30		GFEAMN
Cc1cc(C)c(C#N)c(N2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)n1	ZINC000091707103	136177093	/nfs/dbraw/zinc/17/70/93/136177093.db2.gz	FOEJPUMBCSFGIG-UHFFFAOYSA-N	0	1	392.507	2.745	50	30		GFEAMN
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)c1	ZINC000019973881	521317724	/nfs/dbraw/zinc/31/77/24/521317724.db2.gz	UNDKJPJEBSGCAJ-IBGZPJMESA-N	0	1	395.459	2.620	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccncc1	ZINC000102930485	521756145	/nfs/dbraw/zinc/75/61/45/521756145.db2.gz	XREGWRJQRNLUAU-HVESIFNPSA-N	0	1	385.851	2.718	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000104097145	523372360	/nfs/dbraw/zinc/37/23/60/523372360.db2.gz	NDXOERLRDZPRDT-SELCWUDQSA-N	0	1	383.400	2.764	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)c1	ZINC000020230692	525782391	/nfs/dbraw/zinc/78/23/91/525782391.db2.gz	YZDBJFMTCVHVQG-IBGZPJMESA-N	0	1	398.434	2.974	50	30		GFEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)s1	ZINC000004312585	526689593	/nfs/dbraw/zinc/68/95/93/526689593.db2.gz	ZXGJKTISIAVQPF-AWEZNQCLSA-N	0	1	391.518	2.961	50	30		GFEAMN
C=CCOC[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1	ZINC000036098495	570536647	/nfs/dbraw/zinc/53/66/47/570536647.db2.gz	LAPAEYGLPDQRFS-IBGZPJMESA-N	0	1	385.460	2.990	50	30		GFEAMN
CCOc1cccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccncc2)c1	ZINC000013119704	570746919	/nfs/dbraw/zinc/74/69/19/570746919.db2.gz	MVTAZMNTZBPQLJ-SFHVURJKSA-N	0	1	382.416	2.705	50	30		GFEAMN
CN(CCC#N)C(=O)COc1cc(O)c2c(c1)oc(-c1ccccc1)cc2=O	ZINC000013682253	570773611	/nfs/dbraw/zinc/77/36/11/570773611.db2.gz	KAXZHGXQJUOYFU-UHFFFAOYSA-N	0	1	378.384	2.916	50	30		GFEAMN
CSc1ccc2cc(C[N@@H+]3CCC[C@@](C)(C#N)C3)c(=O)n(CC(=O)[O-])c2c1	ZINC000534629404	570908731	/nfs/dbraw/zinc/90/87/31/570908731.db2.gz	OLPUOCNROZZDBW-FQEVSTJZSA-N	0	1	385.489	2.934	50	30		GFEAMN
CSc1ccc2cc(C[N@H+]3CCC[C@@](C)(C#N)C3)c(=O)n(CC(=O)[O-])c2c1	ZINC000534629404	570908734	/nfs/dbraw/zinc/90/87/34/570908734.db2.gz	OLPUOCNROZZDBW-FQEVSTJZSA-N	0	1	385.489	2.934	50	30		GFEAMN
C#CCOC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1	ZINC000104984065	570911232	/nfs/dbraw/zinc/91/12/32/570911232.db2.gz	XKZRZKTZRYBWCU-FCHUYYIVSA-N	0	1	396.462	2.832	50	30		GFEAMN
C#CCOC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1	ZINC000104984065	570911234	/nfs/dbraw/zinc/91/12/34/570911234.db2.gz	XKZRZKTZRYBWCU-FCHUYYIVSA-N	0	1	396.462	2.832	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2ccccc2)cc1F	ZINC000016737226	570932313	/nfs/dbraw/zinc/93/23/13/570932313.db2.gz	PLRUBLKWNVLXOM-GOSISDBHSA-N	0	1	385.391	2.795	50	30		GFEAMN
O=C([N-]S(=O)(=O)Oc1ccccc1F)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12	ZINC000019848903	210301487	/nfs/dbraw/zinc/30/14/87/210301487.db2.gz	SPYYQGYGLQYWQX-ZFWWWQNUSA-N	0	1	386.445	2.644	50	30		GFEAMN
C=CCOc1ccc(C2=NO[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1OC	ZINC000101306605	519030533	/nfs/dbraw/zinc/03/05/33/519030533.db2.gz	RLVJYGUWIIGPPJ-PKOBYXMFSA-N	0	1	378.384	2.553	50	30		GFEAMN
COc1ccc(OC)c(NC(=O)C(O)=CC(=O)c2cc(OC)ccc2OC)c1	ZINC000018044613	524845967	/nfs/dbraw/zinc/84/59/67/524845967.db2.gz	DPPKUMGRGAGLPA-BOPFTXTBSA-N	0	1	387.388	2.984	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)c1	ZINC000020230689	525781986	/nfs/dbraw/zinc/78/19/86/525781986.db2.gz	YZDBJFMTCVHVQG-LJQANCHMSA-N	0	1	398.434	2.974	50	30		GFEAMN
O=C([N-]S(=O)(=O)Oc1ccc(F)cc1)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12	ZINC000020528572	527158989	/nfs/dbraw/zinc/15/89/89/527158989.db2.gz	JJQBEQCUZLYYNN-BBRMVZONSA-N	0	1	386.445	2.644	50	30		GFEAMN
C=CCn1c(C[N@@H+]2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)nc2ccccc21	ZINC000426489634	527321369	/nfs/dbraw/zinc/32/13/69/527321369.db2.gz	LBHUIUACPVOVOS-MRXNPFEDSA-N	0	1	379.464	2.883	50	30		GFEAMN
Cc1nccc(-c2cccc(N/N=C(\C#N)S(=O)(=O)c3ccccn3)c2)n1	ZINC000001037625	527322448	/nfs/dbraw/zinc/32/24/48/527322448.db2.gz	YSHHATNGYALNQB-HKOYGPOVSA-N	0	1	378.417	2.570	50	30		GFEAMN
C=CCOc1ccccc1[C@@H]1NC(=N)Nc2nc3cc4c(cc3n21)OCCCO4	ZINC000012630199	570238195	/nfs/dbraw/zinc/23/81/95/570238195.db2.gz	XCBPOQRIJKXBIB-LJQANCHMSA-N	0	1	391.431	2.859	50	30		GFEAMN
C#CCN(Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)[C@@H]1CCc2ccccc21	ZINC000048366327	570245973	/nfs/dbraw/zinc/24/59/73/570245973.db2.gz	RNLGPYRCGLEUEZ-LJQANCHMSA-N	0	1	390.443	2.734	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(OC)c1	ZINC000006238976	570346719	/nfs/dbraw/zinc/34/67/19/570346719.db2.gz	NDZXEEFHMJWGNX-LJQANCHMSA-N	0	1	397.427	2.929	50	30		GFEAMN
CCOC(=O)c1ccc(CC2S/C(=N/N=C/c3ccc(O)cc3)NC2=O)cc1	ZINC000004754434	570403170	/nfs/dbraw/zinc/40/31/70/570403170.db2.gz	QWNYIBQTPYKQDJ-RHLNUJDMSA-N	0	1	397.456	2.733	50	30		GFEAMN
C=CCOC[C@H](O)CN(CCc1nc(-c2ccccc2)no1)Cc1ccco1	ZINC000036147659	570549569	/nfs/dbraw/zinc/54/95/69/570549569.db2.gz	FEXKKZVCXBORGB-GOSISDBHSA-N	0	1	383.448	2.938	50	30		GFEAMN
C=CCN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])c(C)c3)o2)C1=O	ZINC000013615999	570661923	/nfs/dbraw/zinc/66/19/23/570661923.db2.gz	KBQKLCGJJOWDGX-GXDHUFHOSA-N	0	1	381.344	2.811	50	30		GFEAMN
NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1N=Cc1ccc(O)c(O)c1	ZINC000013689374	570668601	/nfs/dbraw/zinc/66/86/01/570668601.db2.gz	LQJBORJQRNUTGJ-LSFURLLWSA-N	0	1	392.440	2.767	50	30		GFEAMN
COc1ccc(N2CCCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1	ZINC000083947478	570981714	/nfs/dbraw/zinc/98/17/14/570981714.db2.gz	GUZFAAYDZLZBJX-JOCHJYFZSA-N	0	1	390.487	2.884	50	30		GFEAMN
C=CCN1CCC[C@H]1C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1	ZINC000095531093	518859464	/nfs/dbraw/zinc/85/94/64/518859464.db2.gz	KOLPPEKEFZLHOS-FQEVSTJZSA-N	0	1	379.508	2.683	50	30		GFEAMN
CCOc1nc2ccccc2nc1C(C#N)C(=O)NCc1ccccc1OC	ZINC000005484688	521607934	/nfs/dbraw/zinc/60/79/34/521607934.db2.gz	MVXLVBQLQOVLAH-HNNXBMFYSA-N	0	1	376.416	2.961	50	30		GFEAMN
COc1ccc(-c2n[nH]c(NC(=O)[C@H]3COc4ccccc4O3)n2)c(OC)c1	ZINC000058157652	523174100	/nfs/dbraw/zinc/17/41/00/523174100.db2.gz	PIOCMBQVORJKBO-MRXNPFEDSA-N	0	1	382.376	2.917	50	30		GFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000100455366	523275475	/nfs/dbraw/zinc/27/54/75/523275475.db2.gz	FGZOTZRPRXNEHA-WOOAAIBNSA-N	0	1	397.427	2.859	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102862859	523791629	/nfs/dbraw/zinc/79/16/29/523791629.db2.gz	OQJVVILUKCEQHX-HVESIFNPSA-N	0	1	382.372	2.663	50	30		GFEAMN
CC(=NN=c1nc(N2CCCCC2)[nH]c(N2CCOCC2)n1)c1cccs1	ZINC000005201270	570504111	/nfs/dbraw/zinc/50/41/11/570504111.db2.gz	DHJLKKATMMVILO-HYARGMPZSA-N	0	1	387.513	2.596	50	30		GFEAMN
COc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc([N+](=O)[O-])c1O	ZINC000036247107	570542008	/nfs/dbraw/zinc/54/20/08/570542008.db2.gz	CTESQEDXBDQVGC-KRWDZBQOSA-N	0	1	383.360	2.663	50	30		GFEAMN
CC(C)Cc1nc(NC(=O)CCN2C(=O)C[C@](C)(c3ccccc3)C2=O)n[nH]1	ZINC000072404183	570758058	/nfs/dbraw/zinc/75/80/58/570758058.db2.gz	LBZVXANMQYECEG-HXUWFJFHSA-N	0	1	383.452	2.698	50	30		GFEAMN
CC(C)Cc1n[nH]c(NC(=O)CCN2C(=O)C[C@](C)(c3ccccc3)C2=O)n1	ZINC000072404183	570758061	/nfs/dbraw/zinc/75/80/61/570758061.db2.gz	LBZVXANMQYECEG-HXUWFJFHSA-N	0	1	383.452	2.698	50	30		GFEAMN
C#CCOc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1OC	ZINC000016182857	209167354	/nfs/dbraw/zinc/16/73/54/209167354.db2.gz	HDQGCXAWBHJPCW-PDGQHHTCSA-N	0	1	376.412	2.785	50	30		GFEAMN
CO[C@@H]1CCN(CCOc2ccccc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000096006535	211293042	/nfs/dbraw/zinc/29/30/42/211293042.db2.gz	LNECPKLFLRUJNZ-QZTJIDSGSA-N	0	1	389.496	2.941	50	30		GFEAMN
COc1ccc(CN2CCN(CC#Cc3ccccc3)C[C@@H]2CCO)cc1C	ZINC000096794694	533561134	/nfs/dbraw/zinc/56/11/34/533561134.db2.gz	NMIRJINEXSUNDP-QHCPKHFHSA-N	0	1	378.516	2.924	50	30		GFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccc(O)c2)cc1	ZINC000102542344	520842740	/nfs/dbraw/zinc/84/27/40/520842740.db2.gz	MXYBFHIIRXPHOO-LFVOPCPISA-N	0	1	397.427	2.859	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000019582789	521757909	/nfs/dbraw/zinc/75/79/09/521757909.db2.gz	ZBDVBFIPGYHCMX-GOSISDBHSA-N	0	1	395.415	2.735	50	30		GFEAMN
COCCN1C[C@H]2CC[C@@H]1CN(C(=O)CC1=C(c3ccccc3)CCC1=O)C2	ZINC000095386993	523888252	/nfs/dbraw/zinc/88/82/52/523888252.db2.gz	HXZCIOZROXPCFE-IEBWSBKVSA-N	0	1	382.504	2.762	50	30		GFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000005576859	524106499	/nfs/dbraw/zinc/10/64/99/524106499.db2.gz	MQDWRRKLSGTPRN-LFVOPCPISA-N	0	1	398.434	2.818	50	30		GFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000018130132	524112952	/nfs/dbraw/zinc/11/29/52/524112952.db2.gz	RECOENDLZRKGEN-LJQANCHMSA-N	0	1	380.444	2.835	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCO)cc1	ZINC000006382543	525218462	/nfs/dbraw/zinc/21/84/62/525218462.db2.gz	FDNILILBYJABFE-LJQANCHMSA-N	0	1	381.428	2.964	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)cc1OC	ZINC000006728386	525225251	/nfs/dbraw/zinc/22/52/51/525225251.db2.gz	IWSNBTBZIOUKRU-BFUOFWGJSA-N	0	1	397.427	2.663	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1OC	ZINC000102575821	525382644	/nfs/dbraw/zinc/38/26/44/525382644.db2.gz	CVZMBSLMQHRGEH-WOOAAIBNSA-N	0	1	397.427	2.508	50	30		GFEAMN
COc1ccc(N2CCN(CCCNC(=O)c3cccc(C#N)c3)CC2)cc1	ZINC000032763991	570801204	/nfs/dbraw/zinc/80/12/04/570801204.db2.gz	MNDPMTNHIVTCBR-UHFFFAOYSA-N	0	1	378.476	2.509	50	30		GFEAMN
COCc1cc(=O)[nH]c(N=C(NC(=O)c2ccccc2)Nc2ccc(F)cc2)n1	ZINC000002605369	209371711	/nfs/dbraw/zinc/37/17/11/209371711.db2.gz	LIWHNHMFFZNXOI-UHFFFAOYSA-N	0	1	395.394	2.585	50	30		GFEAMN
CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1	ZINC000002313212	209356434	/nfs/dbraw/zinc/35/64/34/209356434.db2.gz	IUTVDIBUWNAFGS-INIZCTEOSA-N	0	1	381.480	2.770	50	30		GFEAMN
CC(C)(O)C#C[C@@H](c1ccccc1-c1ccccc1)N1CCN(CCO)CC1	ZINC000096137949	519329441	/nfs/dbraw/zinc/32/94/41/519329441.db2.gz	CONUCAOFTWTMAW-QHCPKHFHSA-N	0	1	378.516	2.779	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000102862593	523791525	/nfs/dbraw/zinc/79/15/25/523791525.db2.gz	BTSCHUXOELPEKJ-UYTDBDHRSA-N	0	1	389.429	2.530	50	30		GFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102733420	524105122	/nfs/dbraw/zinc/10/51/22/524105122.db2.gz	XEYOYIRIPSHBMS-YDJIHCHBSA-N	0	1	394.471	2.987	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCO)cc1OC	ZINC000017863092	525387292	/nfs/dbraw/zinc/38/72/92/525387292.db2.gz	DFLXQHVZXXEBAQ-IBGZPJMESA-N	0	1	397.427	2.583	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)c1	ZINC000019582762	525783612	/nfs/dbraw/zinc/78/36/12/525783612.db2.gz	RVXKCIAFFZLEFI-QGZVFWFLSA-N	0	1	386.473	2.897	50	30		GFEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)s1	ZINC000017921219	526688405	/nfs/dbraw/zinc/68/84/05/526688405.db2.gz	IACXLMOTKPXZJJ-MRXNPFEDSA-N	0	1	385.489	2.900	50	30		GFEAMN
COc1ccccc1-c1n[nH]c(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n1	ZINC000042370161	570466593	/nfs/dbraw/zinc/46/65/93/570466593.db2.gz	ORBVMXAJNDERIS-GFCCVEGCSA-N	0	1	381.392	2.710	50	30		GFEAMN
N#Cc1c(=O)[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1-c1ccco1	ZINC000006653253	570520753	/nfs/dbraw/zinc/52/07/53/570520753.db2.gz	UFTCIGZAWVCSTO-UHFFFAOYSA-N	0	1	387.808	2.681	50	30		GFEAMN
CCc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)[nH]c(=O)c1C#N	ZINC000005238925	570523391	/nfs/dbraw/zinc/52/33/91/570523391.db2.gz	VFDYUHJYAJURBM-UHFFFAOYSA-N	0	1	382.367	2.954	50	30		GFEAMN
COC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C)CC1	ZINC000005248637	570524900	/nfs/dbraw/zinc/52/49/00/570524900.db2.gz	MFGHHKOQGIFDLJ-UHFFFAOYSA-N	0	1	391.475	2.525	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000006786352	209685741	/nfs/dbraw/zinc/68/57/41/209685741.db2.gz	SNBIPXLZTFWKPL-KRWDZBQOSA-N	0	1	382.372	2.820	50	30		GFEAMN
N#Cc1ccc(C(=O)NCc2cc3n(n2)CCCN(C2CCCCC2)C3)cn1	ZINC000091691726	211202638	/nfs/dbraw/zinc/20/26/38/211202638.db2.gz	ATRCQVDNBMUTCQ-UHFFFAOYSA-N	0	1	378.480	2.618	50	30		GFEAMN
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1	ZINC000089851315	211186294	/nfs/dbraw/zinc/18/62/94/211186294.db2.gz	YTRWAIOQUWVTGS-KRWDZBQOSA-N	0	1	379.445	2.869	50	30		GFEAMN
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1	ZINC000089851315	211186298	/nfs/dbraw/zinc/18/62/98/211186298.db2.gz	YTRWAIOQUWVTGS-KRWDZBQOSA-N	0	1	379.445	2.869	50	30		GFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccc(O)c2)cc1	ZINC000102542337	520843553	/nfs/dbraw/zinc/84/35/53/520843553.db2.gz	MXYBFHIIRXPHOO-WOOAAIBNSA-N	0	1	397.427	2.859	50	30		GFEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1	ZINC000020232453	520876306	/nfs/dbraw/zinc/87/63/06/520876306.db2.gz	LZLJTJXHZBADCA-LJQANCHMSA-N	0	1	395.459	2.620	50	30		GFEAMN
COC(=O)c1cccc2nc(NC(=O)C=Cc3ccc(OCC#N)cc3)[nH]c21	ZINC000098053058	522250242	/nfs/dbraw/zinc/25/02/42/522250242.db2.gz	GODIPROGUUJLLH-YFHOEESVSA-N	0	1	376.372	2.904	50	30		GFEAMN
CN(CCC#N)C(=O)CSc1nc(-c2ccccc2Br)n[nH]1	ZINC000005967969	522668500	/nfs/dbraw/zinc/66/85/00/522668500.db2.gz	CQLVRVNWLCQHDT-UHFFFAOYSA-N	0	1	380.271	2.698	50	30		GFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccncc1	ZINC000103984391	523275722	/nfs/dbraw/zinc/27/57/22/523275722.db2.gz	VLEKKJFVRQIODA-LFVOPCPISA-N	0	1	396.443	2.857	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)cc1C	ZINC000019570997	523560018	/nfs/dbraw/zinc/56/00/18/523560018.db2.gz	NROOYYLBVBOKDK-IBGZPJMESA-N	0	1	395.459	2.539	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1	ZINC000102436636	523790030	/nfs/dbraw/zinc/79/00/30/523790030.db2.gz	ZORIYZDRLYMSNI-LFVOPCPISA-N	0	1	397.427	2.772	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000102877765	523791664	/nfs/dbraw/zinc/79/16/64/523791664.db2.gz	CIADUEWUGRNLSA-WOOAAIBNSA-N	0	1	397.427	2.772	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccncc1	ZINC000005027665	523793473	/nfs/dbraw/zinc/79/34/73/523793473.db2.gz	CRSKQMKUKCKKFX-GOSISDBHSA-N	0	1	382.416	2.623	50	30		GFEAMN
N#CC(C(=O)NCCN1CCOCC1)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000095455155	526506278	/nfs/dbraw/zinc/50/62/78/526506278.db2.gz	FCSXGYZQHKPKEI-OAHLLOKOSA-N	0	1	390.896	2.519	50	30		GFEAMN
COc1ccc(C(=N)NOC(=O)c2ccccc2I)cc1	ZINC000005112978	551096477	/nfs/dbraw/zinc/09/64/77/551096477.db2.gz	FOJDIEGKJDLGEO-UHFFFAOYSA-N	0	1	396.184	2.777	50	30		GFEAMN
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](c1ccco1)N1CCCC1	ZINC000028837468	570464862	/nfs/dbraw/zinc/46/48/62/570464862.db2.gz	VZDKNTXMMBJLPA-LJQANCHMSA-N	0	1	383.496	2.893	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)o2)c1	ZINC000005409136	570586465	/nfs/dbraw/zinc/58/64/65/570586465.db2.gz	OJRHFMQCRIWYRG-SELCWUDQSA-N	0	1	384.432	2.580	50	30		GFEAMN
C=CCOC[C@H](O)CN[C@H](c1nc(-c2ccc3c(c2)OCO3)no1)[C@@H](C)CC	ZINC000169677849	570597411	/nfs/dbraw/zinc/59/74/11/570597411.db2.gz	GETVPMMIXCAHNG-JOQOYGCGSA-N	0	1	389.452	2.706	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1	ZINC000006812704	570616932	/nfs/dbraw/zinc/61/69/32/570616932.db2.gz	COOIEKOCJNYORT-WOOAAIBNSA-N	0	1	391.427	2.811	50	30		GFEAMN
C#CCOC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1	ZINC000104983273	570911676	/nfs/dbraw/zinc/91/16/76/570911676.db2.gz	YHPMCVKCNGDSPW-FGZHOGPDSA-N	0	1	396.462	2.832	50	30		GFEAMN
CCOC(=O)c1csc(C(C#N)C(=O)c2ccnc(Br)c2)n1	ZINC000084800527	571038799	/nfs/dbraw/zinc/03/87/99/571038799.db2.gz	JIYHRDUANRPBPK-VIFPVBQESA-N	0	1	380.223	2.967	50	30		GFEAMN
CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccnc(Br)c2)n1	ZINC000084800527	571038802	/nfs/dbraw/zinc/03/88/02/571038802.db2.gz	JIYHRDUANRPBPK-VIFPVBQESA-N	0	1	380.223	2.967	50	30		GFEAMN
O=C(CNC(=O)c1ccco1)Nc1nc(-c2cccc(Br)c2)n[nH]1	ZINC000012773733	210006957	/nfs/dbraw/zinc/00/69/57/210006957.db2.gz	OGQBKMZBLIJQCL-UHFFFAOYSA-N	0	1	390.197	2.845	50	30		GFEAMN
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1	ZINC000089851316	211186534	/nfs/dbraw/zinc/18/65/34/211186534.db2.gz	YTRWAIOQUWVTGS-QGZVFWFLSA-N	0	1	379.445	2.869	50	30		GFEAMN
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1	ZINC000089851316	211186538	/nfs/dbraw/zinc/18/65/38/211186538.db2.gz	YTRWAIOQUWVTGS-QGZVFWFLSA-N	0	1	379.445	2.869	50	30		GFEAMN
CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1	ZINC000013801597	520665090	/nfs/dbraw/zinc/66/50/90/520665090.db2.gz	SYKYHMVZDRINRP-HRCADAONSA-N	0	1	381.480	2.767	50	30		GFEAMN
CCOc1cccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccnc2)c1	ZINC000006134378	521317902	/nfs/dbraw/zinc/31/79/02/521317902.db2.gz	BMTIGSRBRYIJJP-GOSISDBHSA-N	0	1	382.416	2.705	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000019789022	521754218	/nfs/dbraw/zinc/75/42/18/521754218.db2.gz	LZLSKIWGOKHXFI-FQEVSTJZSA-N	0	1	393.487	2.893	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000019789094	521759434	/nfs/dbraw/zinc/75/94/34/521759434.db2.gz	FLGMCHMUMMPENU-GOSISDBHSA-N	0	1	395.415	2.735	50	30		GFEAMN
CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1	ZINC000006187409	522249832	/nfs/dbraw/zinc/24/98/32/522249832.db2.gz	HKXNNRAHIYDFSV-IBGZPJMESA-N	0	1	380.444	2.713	50	30		GFEAMN
CN(CCN1CC(=O)C(c2nc3ccccc3s2)=C1N)Cc1ccccc1	ZINC000064838148	522823499	/nfs/dbraw/zinc/82/34/99/522823499.db2.gz	WUCHEWWGUWKRBR-UHFFFAOYSA-N	0	1	378.501	2.940	50	30		GFEAMN
Cc1cc(C)nc(NC(=N)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1	ZINC000054274443	524574006	/nfs/dbraw/zinc/57/40/06/524574006.db2.gz	USRBZGMUXUIMIV-UHFFFAOYSA-N	0	1	378.402	2.881	50	30		GFEAMN
COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1CCO	ZINC000006728376	524748015	/nfs/dbraw/zinc/74/80/15/524748015.db2.gz	WGMDDZKQMLKPEQ-QGZVFWFLSA-N	0	1	387.819	2.919	50	30		GFEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)c1	ZINC000006728399	524911652	/nfs/dbraw/zinc/91/16/52/524911652.db2.gz	RFHQTPFJDQKXTN-YJYMSZOUSA-N	0	1	397.427	2.663	50	30		GFEAMN
Cc1ccc(N2C(=O)C(=CNc3ccc(C)cc3[N+](=O)[O-])C(=O)NC2=S)cc1	ZINC000100200075	524929765	/nfs/dbraw/zinc/92/97/65/524929765.db2.gz	JHWCAJAXNVXCIF-DGURAOSJSA-N	0	1	396.428	2.978	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102929423	525215021	/nfs/dbraw/zinc/21/50/21/525215021.db2.gz	DVMLYHAPRGDUKK-LFVOPCPISA-N	0	1	380.444	2.679	50	30		GFEAMN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccnc2)s1	ZINC000102750296	526354187	/nfs/dbraw/zinc/35/41/87/526354187.db2.gz	OVDIPTRTYSHBGP-REQDGWNSSA-N	0	1	384.442	2.929	50	30		GFEAMN
COc1ccccc1N1CCN([C@H]2CCCN(c3ncccc3C#N)C2)CC1	ZINC000072157197	537071316	/nfs/dbraw/zinc/07/13/16/537071316.db2.gz	WJIHBSRTWYLCRM-IBGZPJMESA-N	0	1	377.492	2.753	50	30		GFEAMN
COc1ccc(CC2S/C(=N/N=C/c3ccc([N+](=O)[O-])cc3)NC2=O)cc1	ZINC000006181906	570471080	/nfs/dbraw/zinc/47/10/80/570471080.db2.gz	ULIFOLQMDDUESN-YDDPGSGASA-N	0	1	384.417	2.768	50	30		GFEAMN
C#CCOC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1	ZINC000104983276	570911668	/nfs/dbraw/zinc/91/16/68/570911668.db2.gz	YHPMCVKCNGDSPW-FCHUYYIVSA-N	0	1	396.462	2.832	50	30		GFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C[C@H](C)O)c1	ZINC000019138403	570958969	/nfs/dbraw/zinc/95/89/69/570958969.db2.gz	LJCVXXOCXMFGMI-IFXJQAMLSA-N	0	1	381.428	2.963	50	30		GFEAMN
C=CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O	ZINC000000842750	212100165	/nfs/dbraw/zinc/10/01/65/212100165.db2.gz	CYKPVHTVEHRXNF-GDNBJRDFSA-N	0	1	381.344	2.811	50	30		GFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(O)c1	ZINC000103978063	523275587	/nfs/dbraw/zinc/27/55/87/523275587.db2.gz	NBDVREVWYALKIA-LFVOPCPISA-N	0	1	397.427	2.859	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)c(C)c1	ZINC000018178459	523560800	/nfs/dbraw/zinc/56/08/00/523560800.db2.gz	FQLOTYDAKXOXLS-IBGZPJMESA-N	0	1	395.459	2.539	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)o2)c1	ZINC000019216342	570961884	/nfs/dbraw/zinc/96/18/84/570961884.db2.gz	XXKWIHYGLUIOTM-GOSISDBHSA-N	0	1	384.432	2.737	50	30		GFEAMN
Cn1c2cc(Cl)c(S(=O)(=O)Nc3ccc(CC#N)cc3)cc2oc1=O	ZINC000005355146	220861386	/nfs/dbraw/zinc/86/13/86/220861386.db2.gz	UBWJUDOIRZEVHI-UHFFFAOYSA-N	0	1	377.809	2.652	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c1	ZINC000005408702	533383175	/nfs/dbraw/zinc/38/31/75/533383175.db2.gz	FAXODOKXPZFNHB-HVESIFNPSA-N	0	1	386.473	2.740	50	30		GFEAMN
C=CCOc1ccc(C2=NO[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1OC	ZINC000101306609	519030350	/nfs/dbraw/zinc/03/03/50/519030350.db2.gz	RLVJYGUWIIGPPJ-HKUYNNGSSA-N	0	1	378.384	2.553	50	30		GFEAMN
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CCN(CC)CC1)C2	ZINC000023214946	519286711	/nfs/dbraw/zinc/28/67/11/519286711.db2.gz	SUXSMAXWYSFQQG-LJQANCHMSA-N	0	1	399.583	2.580	50	30		GFEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)ccc1O	ZINC000006187261	520774052	/nfs/dbraw/zinc/77/40/52/520774052.db2.gz	XHILBEBZTFKDCP-BFUOFWGJSA-N	0	1	397.427	2.750	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@H]2c2ccc(OC)cc2)cc1	ZINC000004311211	523555529	/nfs/dbraw/zinc/55/55/29/523555529.db2.gz	QWMVLUHWELSTNC-IBGZPJMESA-N	0	1	397.427	2.665	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000102877763	523790968	/nfs/dbraw/zinc/79/09/68/523790968.db2.gz	CIADUEWUGRNLSA-LFVOPCPISA-N	0	1	397.427	2.772	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(O)c1	ZINC000004427294	523793339	/nfs/dbraw/zinc/79/33/39/523793339.db2.gz	JVIUCWQOZSXCFY-SFHVURJKSA-N	0	1	383.400	2.626	50	30		GFEAMN
O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1)c1ccccc1	ZINC000019996903	526268062	/nfs/dbraw/zinc/26/80/62/526268062.db2.gz	DWYOEGXJDISCSO-FQEVSTJZSA-N	0	1	392.455	2.597	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000005445205	570595222	/nfs/dbraw/zinc/59/52/22/570595222.db2.gz	OWXLOONIYNFCLS-SELCWUDQSA-N	0	1	395.415	2.578	50	30		GFEAMN
C=CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O	ZINC000000868758	212099844	/nfs/dbraw/zinc/09/98/44/212099844.db2.gz	OPVLDCUOBCPPGS-UVTDQMKNSA-N	0	1	381.344	2.811	50	30		GFEAMN
CC(C)(C)OC(=O)N1CCC[C@H](CN2CCN(c3ncccc3C#N)CC2)C1	ZINC000067376116	136164600	/nfs/dbraw/zinc/16/46/00/136164600.db2.gz	BSUNRLXAJBGWDY-QGZVFWFLSA-N	0	1	385.512	2.722	50	30		GFEAMN
Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1	ZINC000095497225	222331754	/nfs/dbraw/zinc/33/17/54/222331754.db2.gz	PHRQOGODXVXCAB-MRXNPFEDSA-N	0	1	379.464	2.984	50	30		GFEAMN
C=CCOc1ccccc1CN1CCC[C@H](n2cc(C(=O)NC(C)C)nn2)C1	ZINC000014993477	519069745	/nfs/dbraw/zinc/06/97/45/519069745.db2.gz	NVEZXYOUVXFJKM-SFHVURJKSA-N	0	1	383.496	2.818	50	30		GFEAMN
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)c1	ZINC000019973885	521317432	/nfs/dbraw/zinc/31/74/32/521317432.db2.gz	ZNCLIKZLHUZVQH-IBGZPJMESA-N	0	1	395.459	2.620	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1	ZINC000005489609	523374520	/nfs/dbraw/zinc/37/45/20/523374520.db2.gz	BVLDNKQOKBFKKJ-LFVOPCPISA-N	0	1	380.444	2.679	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1F	ZINC000013692364	523557636	/nfs/dbraw/zinc/55/76/36/523557636.db2.gz	JHWNORKLIVZHBP-IBGZPJMESA-N	0	1	398.434	2.974	50	30		GFEAMN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCO)[C@H]1c1ccccc1F	ZINC000100466221	526952638	/nfs/dbraw/zinc/95/26/38/526952638.db2.gz	GZEBEQMEYZHTDM-UYTDBDHRSA-N	0	1	375.783	2.893	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c1	ZINC000020191977	570246435	/nfs/dbraw/zinc/24/64/35/570246435.db2.gz	HJJREANWLCNQNZ-IBGZPJMESA-N	0	1	380.444	2.835	50	30		GFEAMN
N#CC(C(=O)Cc1csc(N2CCNC2=O)n1)c1ccc(C(F)(F)F)cn1	ZINC000048830099	570254798	/nfs/dbraw/zinc/25/47/98/570254798.db2.gz	VYGSPBHUXUBZPD-LLVKDONJSA-N	0	1	395.366	2.505	50	30		GFEAMN
COc1ccc([N+](=O)[O-])cc1N=NC(=C(C)O)S(=O)(=O)c1ccc(C)cc1	ZINC000004567355	570384972	/nfs/dbraw/zinc/38/49/72/570384972.db2.gz	WOVMNBMMRLHKDL-ZPHPHTNESA-N	0	1	391.405	2.700	50	30		GFEAMN
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](c1ccco1)N1CCCC1	ZINC000028837471	570465131	/nfs/dbraw/zinc/46/51/31/570465131.db2.gz	VZDKNTXMMBJLPA-IBGZPJMESA-N	0	1	383.496	2.893	50	30		GFEAMN
COc1ccccc1[C@@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)N1CCCC1	ZINC000083976225	570986339	/nfs/dbraw/zinc/98/63/39/570986339.db2.gz	GQPALKMFQUKDRS-LJQANCHMSA-N	0	1	392.455	2.729	50	30		GFEAMN
C=CCc1ccc(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)c(OC)c1	ZINC000019790702	212106905	/nfs/dbraw/zinc/10/69/05/212106905.db2.gz	IQVQDYRAPICAQE-JOCHJYFZSA-N	0	1	396.531	2.981	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1F	ZINC000005576912	220885194	/nfs/dbraw/zinc/88/51/94/220885194.db2.gz	SFDLJUURWIAPHX-GHNGSUTGSA-N	0	1	386.398	2.948	50	30		GFEAMN
N#Cc1c(-c2ccc(C#N)cc2F)c(-c2nc[nH]n2)sc1N1CCOCC1	ZINC000084619044	222317559	/nfs/dbraw/zinc/31/75/59/222317559.db2.gz	MUENOTXSRZEFJV-UHFFFAOYSA-N	0	1	380.408	2.919	50	30	in-vivo	GFEAMN
COc1ccc(-c2n[nH]c(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)n2)cc1	ZINC000016964145	523173983	/nfs/dbraw/zinc/17/39/83/523173983.db2.gz	DHWOTCWLJCBHRU-HUUCEWRRSA-N	0	1	397.435	2.634	50	30		GFEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H](C)O)c1	ZINC000006728397	524909856	/nfs/dbraw/zinc/90/98/56/524909856.db2.gz	RFHQTPFJDQKXTN-DJJJIMSYSA-N	0	1	397.427	2.663	50	30		GFEAMN
C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1	ZINC000095447835	526235423	/nfs/dbraw/zinc/23/54/23/526235423.db2.gz	ZZODYGZUZFBLJC-AWEZNQCLSA-N	0	1	391.449	2.902	50	30		GFEAMN
C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1	ZINC000095447835	526235429	/nfs/dbraw/zinc/23/54/29/526235429.db2.gz	ZZODYGZUZFBLJC-AWEZNQCLSA-N	0	1	391.449	2.902	50	30		GFEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1	ZINC000019884567	570227554	/nfs/dbraw/zinc/22/75/54/570227554.db2.gz	CTYNBVVBUYNCFF-SFHVURJKSA-N	0	1	398.484	2.659	50	30		GFEAMN
O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC000048288717	570228330	/nfs/dbraw/zinc/22/83/30/570228330.db2.gz	MQGICCABCXGWTP-OAHLLOKOSA-N	0	1	378.392	2.621	50	30		GFEAMN
O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC000048288715	570228566	/nfs/dbraw/zinc/22/85/66/570228566.db2.gz	MQGICCABCXGWTP-HNNXBMFYSA-N	0	1	378.392	2.621	50	30		GFEAMN
N#CCN1CCN(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1	ZINC000020001436	570234626	/nfs/dbraw/zinc/23/46/26/570234626.db2.gz	QUXRAJWJDXNANR-UHFFFAOYSA-N	0	1	378.476	2.735	50	30		GFEAMN
COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1C[C@H](C)O	ZINC000005409071	570438344	/nfs/dbraw/zinc/43/83/44/570438344.db2.gz	WWRUGKDYUVYWEH-IFXJQAMLSA-N	0	1	381.428	2.963	50	30		GFEAMN
C#CCOC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1	ZINC000036096039	570535650	/nfs/dbraw/zinc/53/56/50/570535650.db2.gz	FCVUBGQDMGMNEM-FQEVSTJZSA-N	0	1	387.451	2.856	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000005445231	570595254	/nfs/dbraw/zinc/59/52/54/570595254.db2.gz	OWXLOONIYNFCLS-GHNGSUTGSA-N	0	1	395.415	2.578	50	30		GFEAMN
C=C(C)CN1CCN(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)CC1	ZINC000019891800	518605088	/nfs/dbraw/zinc/60/50/88/518605088.db2.gz	XGLCTIBCAKEPDC-LJQANCHMSA-N	0	1	391.515	2.991	50	30		GFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccnc2)cc1	ZINC000102563807	519010276	/nfs/dbraw/zinc/01/02/76/519010276.db2.gz	CNVDISPGMYMEGN-WOOAAIBNSA-N	0	1	394.427	2.715	50	30		GFEAMN
C=CCOc1ccc(C2=NO[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1OC	ZINC000101306600	519029531	/nfs/dbraw/zinc/02/95/31/519029531.db2.gz	RLVJYGUWIIGPPJ-IEBWSBKVSA-N	0	1	378.384	2.553	50	30		GFEAMN
COc1ccc(C(=N)NOC(=O)COc2ccc(Br)cc2)cc1	ZINC000004680664	523366326	/nfs/dbraw/zinc/36/63/26/523366326.db2.gz	KLSYDHVVTHDBGK-UHFFFAOYSA-N	0	1	379.210	2.700	50	30		GFEAMN
COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCOCC3)C2=O)c(OC)c1	ZINC000022625745	523421580	/nfs/dbraw/zinc/42/15/80/523421580.db2.gz	QXUPZUHUCZPBEN-JAIQZWGSSA-N	0	1	397.427	2.858	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000102436642	523789366	/nfs/dbraw/zinc/78/93/66/523789366.db2.gz	ZORIYZDRLYMSNI-WOOAAIBNSA-N	0	1	397.427	2.772	50	30		GFEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccco1	ZINC000013719038	524295598	/nfs/dbraw/zinc/29/55/98/524295598.db2.gz	NZYSYLUTUNACPG-QGZVFWFLSA-N	0	1	388.395	2.567	50	30		GFEAMN
COc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)C(=O)C(=O)N2CCO)cc1	ZINC000100563461	525383137	/nfs/dbraw/zinc/38/31/37/525383137.db2.gz	NSIDLTZIMYDRKU-BESKYLIDSA-N	0	1	379.412	2.665	50	30		GFEAMN
OCCC#Cc1ccc(CN2CCN(Cc3cccs3)[C@H](CCO)C2)cc1	ZINC000104521527	570260163	/nfs/dbraw/zinc/26/01/63/570260163.db2.gz	WUSIPVTULJQXGU-OAQYLSRUSA-N	0	1	384.545	2.551	50	30		GFEAMN
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](c3cccs3)N(C)C)cc2C1=O	ZINC000031545724	570311959	/nfs/dbraw/zinc/31/19/59/570311959.db2.gz	QZSRJFUGYISXQQ-INIZCTEOSA-N	0	1	383.473	2.563	50	30		GFEAMN
CN(C)c1ccc(/C=N\N=C2\NC(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S2)cc1	ZINC000005009000	570395003	/nfs/dbraw/zinc/39/50/03/570395003.db2.gz	ZGPMMUYFZNAFIM-BRLDDBHUSA-N	0	1	397.460	2.825	50	30		GFEAMN
C=CCOC[C@H](O)CN[C@@H](c1nc(-c2ccc3c(c2)OCO3)no1)[C@@H](C)CC	ZINC000169677848	570597383	/nfs/dbraw/zinc/59/73/83/570597383.db2.gz	GETVPMMIXCAHNG-JCKWVBRZSA-N	0	1	389.452	2.706	50	30		GFEAMN
CC(C)(O)C#C[C@H](c1ccccc1-c1ccccc1)N1CCN(CCO)CC1	ZINC000096137950	519330341	/nfs/dbraw/zinc/33/03/41/519330341.db2.gz	CONUCAOFTWTMAW-HSZRJFAPSA-N	0	1	378.516	2.779	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102799529	523789791	/nfs/dbraw/zinc/78/97/91/523789791.db2.gz	BESZYDUBNGAFMM-GHNGSUTGSA-N	0	1	396.399	2.971	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102798900	523791156	/nfs/dbraw/zinc/79/11/56/523791156.db2.gz	ZLZLIEYNCHTHBS-HVESIFNPSA-N	0	1	382.372	2.663	50	30		GFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H](C)O)cc1OC	ZINC000006728383	525224895	/nfs/dbraw/zinc/22/48/95/525224895.db2.gz	IWSNBTBZIOUKRU-ORAYPTAESA-N	0	1	397.427	2.663	50	30		GFEAMN
Cc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000009360291	525985925	/nfs/dbraw/zinc/98/59/25/525985925.db2.gz	CGBONGOABLERNL-KRWDZBQOSA-N	0	1	387.457	2.644	50	30		GFEAMN
O=C(C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccccn1)c1ccc(F)cc1	ZINC000004626070	526268538	/nfs/dbraw/zinc/26/85/38/526268538.db2.gz	KQJDYICZPVIYSL-SFHVURJKSA-N	0	1	392.390	2.765	50	30		GFEAMN
COc1ccc(C(=N)NOC(=O)c2ccc(I)cc2)cc1	ZINC000005111943	551096500	/nfs/dbraw/zinc/09/65/00/551096500.db2.gz	DFFZEVDURIKCPP-UHFFFAOYSA-N	0	1	396.184	2.777	50	30		GFEAMN
COc1ccc(CC2S/C(=N\N=C\c3ccc([N+](=O)[O-])cc3)NC2=O)cc1	ZINC000004827144	570409174	/nfs/dbraw/zinc/40/91/74/570409174.db2.gz	ULIFOLQMDDUESN-ZVCOJXFSSA-N	0	1	384.417	2.768	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000005445192	570595003	/nfs/dbraw/zinc/59/50/03/570595003.db2.gz	SIJFFLQFDFGZFV-SELCWUDQSA-N	0	1	395.415	2.578	50	30		GFEAMN
O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1nc(-c2ccccn2)n[nH]1	ZINC000058193064	570717882	/nfs/dbraw/zinc/71/78/82/570717882.db2.gz	RIQGMHDABSAULC-UHFFFAOYSA-N	0	1	379.376	2.889	50	30		GFEAMN
Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)c1	ZINC000013065769	570744556	/nfs/dbraw/zinc/74/45/56/570744556.db2.gz	ZWCBZDOLMLDGDT-IBGZPJMESA-N	0	1	379.460	2.838	50	30		GFEAMN
C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C)C3=O)c2C)cc1	ZINC000002726974	570988897	/nfs/dbraw/zinc/98/88/97/570988897.db2.gz	DMUSEUJBMHHKNT-LDADJPATSA-N	0	1	379.416	2.751	50	30		GFEAMN
Cc1c(C#N)c(=O)[n-]cc1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1	ZINC000072475557	222265534	/nfs/dbraw/zinc/26/55/34/222265534.db2.gz	KFGMJNGWHAELLJ-UHFFFAOYSA-N	0	1	376.460	2.630	50	30		GFEAMN
N#Cc1ccccc1CN1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1	ZINC000082146501	222311167	/nfs/dbraw/zinc/31/11/67/222311167.db2.gz	GWSSHLGDLAIIAH-JOCHJYFZSA-N	0	1	377.492	2.729	50	30		GFEAMN
COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@H](C)C1	ZINC000013810180	523355086	/nfs/dbraw/zinc/35/50/86/523355086.db2.gz	JCDQSIUEFOHQCL-IXDOHACOSA-N	0	1	395.507	2.872	50	30		GFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000103867260	523374635	/nfs/dbraw/zinc/37/46/35/523374635.db2.gz	VLNLDEAGBFXZKQ-LFVOPCPISA-N	0	1	397.427	2.508	50	30		GFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1C	ZINC000017057364	523554687	/nfs/dbraw/zinc/55/46/87/523554687.db2.gz	ACHAWQBFPICZPO-IBGZPJMESA-N	0	1	395.459	2.539	50	30		GFEAMN
COCC[NH+](CCOC)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C\c1ccncc1)O2	ZINC000037857521	523715918	/nfs/dbraw/zinc/71/59/18/523715918.db2.gz	SDJXELKCCNQWBC-CPNJWEJPSA-N	0	1	398.459	2.807	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(OC)c1	ZINC000102931342	523789929	/nfs/dbraw/zinc/78/99/29/523789929.db2.gz	NWANGTSSIXXQFT-LFVOPCPISA-N	0	1	397.427	2.772	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccnc1	ZINC000017139058	523793300	/nfs/dbraw/zinc/79/33/00/523793300.db2.gz	MHWRVPPBAFAJNB-SFHVURJKSA-N	0	1	382.416	2.623	50	30		GFEAMN
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102689074	524169359	/nfs/dbraw/zinc/16/93/59/524169359.db2.gz	UUXBKRLJOISNDB-WOOAAIBNSA-N	0	1	380.444	2.679	50	30		GFEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000008914995	524170162	/nfs/dbraw/zinc/17/01/62/524170162.db2.gz	UXRVEIZOMJYQFR-SFHVURJKSA-N	0	1	384.432	2.737	50	30		GFEAMN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ncccn5)CC4)[C@H]3C[C@@H]12	ZINC000061997754	570553863	/nfs/dbraw/zinc/55/38/63/570553863.db2.gz	XYKSVNDXUQWESH-DUXQTRJFSA-N	0	1	396.535	2.913	50	30		GFEAMN
COc1cccc(CC2S/C(=N\N=C\c3ccc([N+](=O)[O-])cc3)NC2=O)c1	ZINC000006007305	570813385	/nfs/dbraw/zinc/81/33/85/570813385.db2.gz	NXDPJWMPHKLUNG-YDDPGSGASA-N	0	1	384.417	2.768	50	30		GFEAMN
N#Cc1ccc(F)c(CS(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c1	ZINC000089834911	570916647	/nfs/dbraw/zinc/91/66/47/570916647.db2.gz	LVZRMHBEHQXSPL-UHFFFAOYSA-N	0	1	387.480	2.781	50	30		GFEAMN
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C	ZINC000089920295	570919692	/nfs/dbraw/zinc/91/96/92/570919692.db2.gz	QUZFHHKGVIRROM-IKGGRYGDSA-N	0	1	392.544	2.953	50	30		GFEAMN
C=CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)C1=O	ZINC000012411097	212095840	/nfs/dbraw/zinc/09/58/40/212095840.db2.gz	ZEZIBKVKMLBXNW-VBKFSLOCSA-N	0	1	394.383	2.771	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccncc1	ZINC000006812707	220967006	/nfs/dbraw/zinc/96/70/06/220967006.db2.gz	DYEFGEWSZWVNCV-WOOAAIBNSA-N	0	1	391.427	2.811	50	30		GFEAMN
C=CCN1CCC[C@H]1C(=O)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1	ZINC000067755323	518858689	/nfs/dbraw/zinc/85/86/89/518858689.db2.gz	UGCYOVSGZPWISE-INIZCTEOSA-N	0	1	381.432	2.605	50	30		GFEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccnc2)cc1	ZINC000102868853	520318378	/nfs/dbraw/zinc/31/83/78/520318378.db2.gz	GEXLXPROXAIDAB-WOOAAIBNSA-N	0	1	396.443	2.939	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccncc1	ZINC000019882791	521755140	/nfs/dbraw/zinc/75/51/40/521755140.db2.gz	OLIKXOFGXTVKCJ-KRWDZBQOSA-N	0	1	385.851	2.875	50	30		GFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(O)c1	ZINC000103978067	523275011	/nfs/dbraw/zinc/27/50/11/523275011.db2.gz	NBDVREVWYALKIA-WOOAAIBNSA-N	0	1	397.427	2.859	50	30		GFEAMN
COc1ccccc1CC1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)NC1=O	ZINC000004992058	524506683	/nfs/dbraw/zinc/50/66/83/524506683.db2.gz	AVXSDMONBPSFJL-ZVCOJXFSSA-N	0	1	384.417	2.768	50	30		GFEAMN
COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCN(C)C	ZINC000019880427	524803358	/nfs/dbraw/zinc/80/33/58/524803358.db2.gz	KICURQRJGSBVGS-IBGZPJMESA-N	0	1	380.444	2.835	50	30		GFEAMN
N#Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)ccc1Cl	ZINC000026536297	551121795	/nfs/dbraw/zinc/12/17/95/551121795.db2.gz	QQHZHZWQHVVRJG-UHFFFAOYSA-N	0	1	378.841	2.577	50	30		GFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1	ZINC000020150162	570244471	/nfs/dbraw/zinc/24/44/71/570244471.db2.gz	CTXDZMPUINOWHS-LJQANCHMSA-N	0	1	391.427	2.968	50	30		GFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c1	ZINC000020191973	570246663	/nfs/dbraw/zinc/24/66/63/570246663.db2.gz	HJJREANWLCNQNZ-LJQANCHMSA-N	0	1	380.444	2.835	50	30		GFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000006239001	570346704	/nfs/dbraw/zinc/34/67/04/570346704.db2.gz	FKZWUXUVBHKKEQ-IBGZPJMESA-N	0	1	397.427	2.929	50	30		GFEAMN
CC[C@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(CC)CC1	ZINC000002393952	570482228	/nfs/dbraw/zinc/48/22/28/570482228.db2.gz	FVDICPYKECYOPI-DLBZAZTESA-N	0	1	395.507	2.968	50	30		GFEAMN
CC[C@@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(CC)CC1	ZINC000002393949	570482315	/nfs/dbraw/zinc/48/23/15/570482315.db2.gz	FVDICPYKECYOPI-SJORKVTESA-N	0	1	395.507	2.968	50	30		GFEAMN
CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1cccs1	ZINC000023106606	570905407	/nfs/dbraw/zinc/90/54/07/570905407.db2.gz	MHCXTKDDXNAFLF-AWEZNQCLSA-N	0	1	376.869	2.631	50	30		GFEAMN
C=CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1Cc3ccccc3CN1CC)CC2	ZINC000091461383	570983527	/nfs/dbraw/zinc/98/35/27/570983527.db2.gz	CKPRPOGYWZPDHJ-OAQYLSRUSA-N	0	1	395.547	2.850	50	30		GFEAMN