smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1-c1n[nH]c(NC(=O)Cc2c(C)noc2C)n1	ZINC000036752437	202330466	/nfs/dbraw/zinc/33/04/66/202330466.db2.gz	WAOGUWGEOCJTRV-UHFFFAOYSA-N	0	1	327.344	2.916	40	30		EFEBMN
Cc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000154045342	201394112	/nfs/dbraw/zinc/39/41/12/201394112.db2.gz	DBUMJCRRBANWTF-UHFFFAOYSA-N	0	1	329.425	2.729	40	30		EFEBMN
O/N=C1\CCC=CCC[C@H]1N1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000018127374	135713251	/nfs/dbraw/zinc/71/32/51/135713251.db2.gz	JTABKOZBAZMABZ-DZNVGIAESA-N	0	1	343.427	2.866	40	30		EFEBMN
CC1(C)CC2=C(C(=O)C1)[C@@H](c1cccc([N+](=O)[O-])c1)C([N+](=O)[O-])O2	ZINC000100929297	278191449	/nfs/dbraw/zinc/19/14/49/278191449.db2.gz	UQHRGGVWXVAUMF-UKRRQHHQSA-N	0	1	332.312	2.955	40	30		EFEBMN
N#Cc1cccc(N[C@H]2CO[C@@]3(C2)CCCN(Cc2cccnc2)C3)n1	ZINC000096048316	473271131	/nfs/dbraw/zinc/27/11/31/473271131.db2.gz	WXLMDHRJKZPTAJ-UYAOXDASSA-N	0	1	349.438	2.584	40	30		EFEBMN
N#Cc1cccc(N[C@H]2CO[C@]3(C2)CCCN(Cc2ccoc2)C3)n1	ZINC000096048306	473271202	/nfs/dbraw/zinc/27/12/02/473271202.db2.gz	MLLXNQVDFDOQNK-MJGOQNOKSA-N	0	1	338.411	2.782	40	30		EFEBMN
COc1ccc(NC(=N)Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1	ZINC000017070592	471955300	/nfs/dbraw/zinc/95/53/00/471955300.db2.gz	VEQITZYLPYNKDL-UHFFFAOYSA-N	0	1	335.367	2.504	40	30		EFEBMN
COc1cccc([C@H]2C(C#N)C(=O)Nc3nc4ccccc4n32)c1OC	ZINC000020637884	471992262	/nfs/dbraw/zinc/99/22/62/471992262.db2.gz	HQGXUJFOTLFFHT-WBMJQRKESA-N	0	1	348.362	2.735	40	30		EFEBMN
Cc1noc2nc(C)cc(C(=O)Nc3nc(-c4ccccn4)n[nH]3)c12	ZINC000053525820	472016426	/nfs/dbraw/zinc/01/64/26/472016426.db2.gz	DRMXFDHNWNASJN-UHFFFAOYSA-N	0	1	335.327	2.656	40	30		EFEBMN
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc2[nH]nnc2c1	ZINC000024507041	472057871	/nfs/dbraw/zinc/05/78/71/472057871.db2.gz	MTGZUXIDTRVVDC-UHFFFAOYSA-N	0	1	344.296	2.758	40	30		EFEBMN
N#CCNC(=O)CN[C@@H](c1cccs1)c1ccc2c(c1)CCC2	ZINC000097227359	472484241	/nfs/dbraw/zinc/48/42/41/472484241.db2.gz	GHHFRRAHCUJBDK-GOSISDBHSA-N	0	1	325.437	2.556	40	30		EFEBMN
N#CC(C(=O)c1cnn(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1	ZINC000121529697	472866510	/nfs/dbraw/zinc/86/65/10/472866510.db2.gz	PGDKHLMVGNWWLZ-CYBMUJFWSA-N	0	1	346.325	2.773	40	30		EFEBMN
C#CCN1CCC(C(=O)Nc2nc3ccc(OCC)cc3s2)CC1	ZINC000050026491	472973310	/nfs/dbraw/zinc/97/33/10/472973310.db2.gz	GJTZLMSSWGVKIW-UHFFFAOYSA-N	0	1	343.452	2.979	40	30		EFEBMN
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc2nn[nH]c21	ZINC000187592534	473889131	/nfs/dbraw/zinc/88/91/31/473889131.db2.gz	OSMLRWOVZMCQPB-UHFFFAOYSA-N	0	1	337.339	2.695	40	30		EFEBMN
C=CCOC(=O)c1cc(-n2cccc2)ccc1N1CCN(CC)CC1	ZINC000226278265	474240580	/nfs/dbraw/zinc/24/05/80/474240580.db2.gz	IVPHPUKFLJLIQA-UHFFFAOYSA-N	0	1	339.439	2.962	40	30		EFEBMN
C=CCN1C(=O)NC(=O)/C(=C\c2ccc(OCCCC)cc2)C1=O	ZINC000408601496	476970170	/nfs/dbraw/zinc/97/01/70/476970170.db2.gz	KGVQYMLTKGQTDI-NTCAYCPXSA-N	0	1	328.368	2.513	40	30		EFEBMN
COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1O	ZINC000408913902	476973553	/nfs/dbraw/zinc/97/35/53/476973553.db2.gz	VYRPGGXQHLWYGH-NVNXTCNLSA-N	0	1	332.272	2.663	40	30		EFEBMN
NC(=O)COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1	ZINC000409211489	476980382	/nfs/dbraw/zinc/98/03/82/476980382.db2.gz	NKLPUVXZERMKQP-NVMNQCDNSA-N	0	1	326.381	2.606	40	30		EFEBMN
NC(=O)COc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1	ZINC000409211489	476980387	/nfs/dbraw/zinc/98/03/87/476980387.db2.gz	NKLPUVXZERMKQP-NVMNQCDNSA-N	0	1	326.381	2.606	40	30		EFEBMN
C#CCN1CCC(C(=O)OCc2cnc(-c3cccs3)o2)CC1	ZINC000096425265	518269261	/nfs/dbraw/zinc/26/92/61/518269261.db2.gz	OUMVOOSAFLSRNE-UHFFFAOYSA-N	0	1	330.409	2.792	40	30		EFEBMN
COc1ccc(NC(=O)C(O)=CC(=O)c2ccc(OC)cc2)cc1	ZINC000100361097	1416681287	/nfs/dbraw/zinc/68/12/87/1416681287.db2.gz	BGWCXVKTPNUSFV-GZTJUZNOSA-N	0	1	327.336	2.967	40	30		EFEBMN
C=CC[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1	ZINC000072340214	216158412	/nfs/dbraw/zinc/15/84/12/216158412.db2.gz	GMCXELCFTKXPRM-JTDSTZFVSA-N	0	1	331.387	2.867	40	30		EFEBMN
Cc1nnccc1[NH+]=C([O-])N1CCn2c(C3CCCC3)nnc2[C@H]1C	ZINC000329240754	241330985	/nfs/dbraw/zinc/33/09/85/241330985.db2.gz	MYMBUBXDLYKLQS-GFCCVEGCSA-N	0	1	341.419	2.656	40	30		EFEBMN
COc1ccc(/C=N\N=C2/NC(=O)C(c3ccccc3)S2)cc1	ZINC000009189501	211050486	/nfs/dbraw/zinc/05/04/86/211050486.db2.gz	OTGUKKVBBVQTHX-GZQZNAIASA-N	0	1	325.393	2.989	40	30		EFEBMN
O=C([N-]S(=O)(=O)c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000095447834	218391723	/nfs/dbraw/zinc/39/17/23/218391723.db2.gz	IEPOKUAPGFLINT-KRWDZBQOSA-N	0	1	344.436	2.996	40	30		EFEBMN
O=C([N-]S(=O)(=O)c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccccc1	ZINC000095447834	218391725	/nfs/dbraw/zinc/39/17/25/218391725.db2.gz	IEPOKUAPGFLINT-KRWDZBQOSA-N	0	1	344.436	2.996	40	30		EFEBMN
C=CCN(C)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1	ZINC000119066526	221235162	/nfs/dbraw/zinc/23/51/62/221235162.db2.gz	QNTLFBHVRBDAFA-OAHLLOKOSA-N	0	1	348.466	2.856	40	30		EFEBMN
COc1cccc([C@@H]2C(C#N)C(=O)Nc3nc4ccccc4n32)c1OC	ZINC000020637880	295320600	/nfs/dbraw/zinc/32/06/00/295320600.db2.gz	HQGXUJFOTLFFHT-MLGOLLRUSA-N	0	1	348.362	2.735	40	30		EFEBMN
N#Cc1cccc(N[C@@H]2CO[C@]3(C2)CCCN(Cc2ccccn2)C3)n1	ZINC000096048314	473270639	/nfs/dbraw/zinc/27/06/39/473270639.db2.gz	LQDCYOSCNOXXFJ-ICSRJNTNSA-N	0	1	349.438	2.584	40	30		EFEBMN
C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1ccc(F)cc1)C2	ZINC000096214812	473346679	/nfs/dbraw/zinc/34/66/79/473346679.db2.gz	LXXUPICUWYCJHT-KRWDZBQOSA-N	0	1	338.448	2.631	40	30		EFEBMN
C=CCN1CCC[C@]12CCCN(S(=O)(=O)c1ccc(C)cc1)C2	ZINC000096214806	473346812	/nfs/dbraw/zinc/34/68/12/473346812.db2.gz	VYXJQAAUXVZXLO-GOSISDBHSA-N	0	1	334.485	2.800	40	30		EFEBMN
C=CCN1CCC[C@]12CCCN(S(=O)(=O)c1ccccc1F)C2	ZINC000096214816	473346859	/nfs/dbraw/zinc/34/68/59/473346859.db2.gz	RTIITZBJLHVBFN-QGZVFWFLSA-N	0	1	338.448	2.631	40	30		EFEBMN
C=CCN1CCC[C@]12CCCN(S(=O)(=O)c1cccc(C)c1)C2	ZINC000096214809	473347529	/nfs/dbraw/zinc/34/75/29/473347529.db2.gz	JNZNABUTOWVPJH-GOSISDBHSA-N	0	1	334.485	2.800	40	30		EFEBMN
CNC(=N)NN=C(c1ccccc1)c1ccc(Br)cc1	ZINC000001572547	471393656	/nfs/dbraw/zinc/39/36/56/471393656.db2.gz	SOFUQTGDLLAPQE-XMHGGMMESA-N	0	1	331.217	2.945	40	30		EFEBMN
O=C1C(=NNc2ccncc2)C(C(F)(F)F)=NN1c1ccccc1	ZINC000004706615	471472001	/nfs/dbraw/zinc/47/20/01/471472001.db2.gz	FFUMKNMBMOBSBD-MTJSOVHGSA-N	0	1	333.273	2.815	40	30		EFEBMN
CCOc1cc(/C=N/NCc2ccccc2OC)cc([N+](=O)[O-])c1O	ZINC000020761579	471992465	/nfs/dbraw/zinc/99/24/65/471992465.db2.gz	SIGQVAOGZQWLNU-VCHYOVAHSA-N	0	1	345.355	2.831	40	30		EFEBMN
COc1ccccc1CN/N=C/c1ccc(N2CCOCC2)c(F)c1	ZINC000020763624	471992885	/nfs/dbraw/zinc/99/28/85/471992885.db2.gz	CWYGGNQILDFXDB-FYJGNVAPSA-N	0	1	343.402	2.795	40	30		EFEBMN
N#CCCN1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000110710633	473172274	/nfs/dbraw/zinc/17/22/74/473172274.db2.gz	CXVYSMMJYPDHQA-UONOGXRCSA-N	0	1	343.324	2.576	40	30		EFEBMN
N#Cc1cc2c([nH]c1=O)CCN(C(=O)Cc1cccc3ccccc31)C2	ZINC000225683075	474235810	/nfs/dbraw/zinc/23/58/10/474235810.db2.gz	PGWXPXASOBBUFA-UHFFFAOYSA-N	0	1	343.386	2.527	40	30		EFEBMN
CC[NH+]1CCN(C[C@H](C)CNc2nc3c(cc2C#N)CCCC3)CC1	ZINC000189443674	474399680	/nfs/dbraw/zinc/39/96/80/474399680.db2.gz	RHAOWUBOHBHWIG-MRXNPFEDSA-N	0	1	341.503	2.518	40	30		EFEBMN
CC(C)(C#N)C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1	ZINC000055404987	518507284	/nfs/dbraw/zinc/50/72/84/518507284.db2.gz	WCMGWGBPXABBMZ-UHFFFAOYSA-N	0	1	342.443	2.989	40	30		EFEBMN
COc1cc(C(=O)[C@@H](C=O)c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000104215456	219362294	/nfs/dbraw/zinc/36/22/94/219362294.db2.gz	VGYVPVHUEQVNBO-ZDUSSCGKSA-N	0	1	329.308	2.777	40	30		EFEBMN
COc1cc(C(=O)C(C=O)c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000104215456	219362296	/nfs/dbraw/zinc/36/22/96/219362296.db2.gz	VGYVPVHUEQVNBO-ZDUSSCGKSA-N	0	1	329.308	2.777	40	30		EFEBMN
O=C(Cc1nc2cc(Cl)cc([N+](=O)[O-])c2[nH]c1=O)c1ccccn1	ZINC000104238031	219364813	/nfs/dbraw/zinc/36/48/13/219364813.db2.gz	TYCLBVRTOSNOBE-XFFZJAGNSA-N	0	1	344.714	2.774	40	30		EFEBMN
Cc1ccc(N2C(=O)C(=CNc3ccccc3)C(=O)NC2=S)cc1	ZINC000408765428	278817812	/nfs/dbraw/zinc/81/78/12/278817812.db2.gz	VWPLNISHVWXAID-MXDDHBLUSA-N	0	1	337.404	2.761	40	30		EFEBMN
N#C[C@@H](C(=O)C=Cc1ccco1)C(=O)N(CC(F)(F)F)C1CC1	ZINC000102758115	472592058	/nfs/dbraw/zinc/59/20/58/472592058.db2.gz	GLCUYEZOOZXRGA-FYJFLYSWSA-N	0	1	326.274	2.555	40	30		EFEBMN
CN1CCCc2cc(C=Nn3c(=S)[nH]nc3C(F)(F)F)ccc21	ZINC000005543965	471510225	/nfs/dbraw/zinc/51/02/25/471510225.db2.gz	NMRQPQQGVMBAJQ-QGMBQPNBSA-N	0	1	341.362	2.850	40	30		EFEBMN
CCOc1cc(/C=N\O)ccc1OS(=O)(=O)c1ccc(C)cc1	ZINC000012729782	471791606	/nfs/dbraw/zinc/79/16/06/471791606.db2.gz	HGDFCODWMVUDAB-BOPFTXTBSA-N	0	1	335.381	2.970	40	30		EFEBMN
CCC[C@@H]1[C@H](c2ccccc2)C(C#N)(C#N)[C@]2(C#N)C[C@@]1(N)NC2=O	ZINC000036383736	472001611	/nfs/dbraw/zinc/00/16/11/472001611.db2.gz	ULEFGRQKGOPQAF-WXSAJPJJSA-N	0	1	333.395	2.759	40	30		EFEBMN
N#CCNC(=O)CN[C@H](c1cccs1)c1ccc2c(c1)CCC2	ZINC000097227360	472483388	/nfs/dbraw/zinc/48/33/88/472483388.db2.gz	GHHFRRAHCUJBDK-SFHVURJKSA-N	0	1	325.437	2.556	40	30		EFEBMN
CN1c2ccc(Br)cc2C(=N[N-]c2cccc[nH+]2)C1=O	ZINC000101005045	472529950	/nfs/dbraw/zinc/52/99/50/472529950.db2.gz	HVFIBVJNPHCORR-QGOAFFKASA-N	0	1	331.173	2.637	40	30		EFEBMN
C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(O)c1	ZINC000194970157	473985855	/nfs/dbraw/zinc/98/58/55/473985855.db2.gz	NTFOIENJTKGJIR-IFXJQAMLSA-N	0	1	335.407	2.716	40	30		EFEBMN
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1C[C@@H](O)c1ccccc1	ZINC000245338788	474573847	/nfs/dbraw/zinc/57/38/47/474573847.db2.gz	ONXQAFOXRPXIEX-NSHGMRRFSA-N	0	1	343.471	2.629	40	30		EFEBMN
N#CC1(CCCN2CCN(Cc3cccs3)CC2)CCOCC1	ZINC000330031878	475187753	/nfs/dbraw/zinc/18/77/53/475187753.db2.gz	FIYKHNBFOLDRRC-UHFFFAOYSA-N	0	1	333.501	2.966	40	30		EFEBMN
O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNc1ccc(F)cc1	ZINC000408742019	476972265	/nfs/dbraw/zinc/97/22/65/476972265.db2.gz	UIHHMOCZUFXVPD-FVOVHSBVSA-N	0	1	341.367	2.592	40	30		EFEBMN
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(C#N)cc1	ZINC000409371939	476982976	/nfs/dbraw/zinc/98/29/76/476982976.db2.gz	MYHYWNOONXQBKT-GOSISDBHSA-N	0	1	347.374	2.887	40	30		EFEBMN
Cc1cccc(NC=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c1	ZINC000408742324	242557523	/nfs/dbraw/zinc/55/75/23/242557523.db2.gz	WAPZEDWUKTYXLM-SKCQWOFPSA-N	0	1	337.404	2.761	40	30		EFEBMN
COc1ccc(CC2S/C(=N\N=C/c3cccs3)NC2=O)cc1	ZINC000019554439	212040398	/nfs/dbraw/zinc/04/03/98/212040398.db2.gz	JCBUCMHNESYHIN-XGHPXPSOSA-N	0	1	345.449	2.921	40	30		EFEBMN
C=CCN(Cc1ccc(C#N)cc1)C(=O)c1n[nH]cc1Br	ZINC000078929001	217150296	/nfs/dbraw/zinc/15/02/96/217150296.db2.gz	FIDAZQPKEGXXFB-UHFFFAOYSA-N	0	1	345.200	2.872	40	30		EFEBMN
CS(=O)(=O)OCC1CN(C(c2ccccc2)c2ccccc2)C1	ZINC000079058302	217184536	/nfs/dbraw/zinc/18/45/36/217184536.db2.gz	JCOQDAJMCQWEAH-UHFFFAOYSA-N	0	1	331.437	2.684	40	30		EFEBMN
COc1ccc(/C=N\N=C2/NC(=O)C(c3ccccc3)S2)cc1	ZINC000009189502	211050822	/nfs/dbraw/zinc/05/08/22/211050822.db2.gz	OTGUKKVBBVQTHX-JQFNYASXSA-N	0	1	325.393	2.989	40	30		EFEBMN
COc1cc([C@H]2NC(=O)C(=O)C2C(=O)c2ccc(C)cc2)ccc1O	ZINC000004901565	210315599	/nfs/dbraw/zinc/31/55/99/210315599.db2.gz	APVSMKUJONZPRD-MRXNPFEDSA-N	0	1	339.347	2.575	40	30		EFEBMN
COc1ccccc1/C=N\N=C1\NC(=O)C(Cc2ccccc2)S1	ZINC000004866429	210307283	/nfs/dbraw/zinc/30/72/83/210307283.db2.gz	KDMKCGBLJQDSSF-BKAYVGFPSA-N	0	1	339.420	2.859	40	30		EFEBMN
CC1(C)CC2=C(C(=O)C1)[C@H](c1ccc([N+](=O)[O-])cc1)C([N+](=O)[O-])O2	ZINC000100929280	278191422	/nfs/dbraw/zinc/19/14/22/278191422.db2.gz	UFKIGFOZDRJOGW-DZGCQCFKSA-N	0	1	332.312	2.955	40	30		EFEBMN
COc1ccc([C@H]2C(C#N)C(=O)Nc3nc4ccccc4n32)c(OC)c1	ZINC000020637919	295252717	/nfs/dbraw/zinc/25/27/17/295252717.db2.gz	SHZXKWSYNGGRKN-GUYCJALGSA-N	0	1	348.362	2.735	40	30		EFEBMN
CC(C)Cc1nc(C(=O)C(C#N)C(=O)Nc2ccccn2)cs1	ZINC000138819712	473223889	/nfs/dbraw/zinc/22/38/89/473223889.db2.gz	ZCJIJIZEKGEIMK-NSHDSACASA-N	0	1	328.397	2.698	40	30		EFEBMN
CC(C)Cc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cs1	ZINC000138819712	473223893	/nfs/dbraw/zinc/22/38/93/473223893.db2.gz	ZCJIJIZEKGEIMK-NSHDSACASA-N	0	1	328.397	2.698	40	30		EFEBMN
N#Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCCN(Cc2ccoc2)C3)n1	ZINC000096048305	473272350	/nfs/dbraw/zinc/27/23/50/473272350.db2.gz	MLLXNQVDFDOQNK-PKOBYXMFSA-N	0	1	338.411	2.782	40	30		EFEBMN
N#Cc1cccc(CN2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c1	ZINC000096184573	473326365	/nfs/dbraw/zinc/32/63/65/473326365.db2.gz	QMPKWTQIVRCZBB-SJORKVTESA-N	0	1	338.436	2.504	40	30		EFEBMN
N#Cc1cccc(N[C@@H]2CO[C@]3(C2)CCCN(Cc2ccco2)C3)n1	ZINC000096223056	473356114	/nfs/dbraw/zinc/35/61/14/473356114.db2.gz	ZBVLANSVYBABPF-LPHOPBHVSA-N	0	1	338.411	2.782	40	30		EFEBMN
CCc1ccc(S(=O)(=O)/N=C2/SC(CC)C(=O)N2CC)cc1	ZINC000004538086	471468334	/nfs/dbraw/zinc/46/83/34/471468334.db2.gz	OLNCYIONCJUWAT-ZGTROFRASA-N	0	1	340.470	2.668	40	30		EFEBMN
C[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(NS(C)(=O)=O)c1	ZINC000119043090	472520797	/nfs/dbraw/zinc/52/07/97/472520797.db2.gz	MQTGIFWQEMNPML-LBPRGKRZSA-N	0	1	347.415	2.920	40	30		EFEBMN
CC1(C)CC2=C(C(=O)C1)[C@@H](c1cccc([N+](=O)[O-])c1)C([N+](=O)[O-])O2	ZINC000100929299	472530042	/nfs/dbraw/zinc/53/00/42/472530042.db2.gz	UQHRGGVWXVAUMF-HIFRSBDPSA-N	0	1	332.312	2.955	40	30		EFEBMN
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN(C)[C@H]1CCSC1	ZINC000089937379	472553190	/nfs/dbraw/zinc/55/31/90/472553190.db2.gz	DNLOHQOWSIMNNO-KRWDZBQOSA-N	0	1	331.485	2.733	40	30		EFEBMN
C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cccnc1OC)C2	ZINC000107771362	472981207	/nfs/dbraw/zinc/98/12/07/472981207.db2.gz	PBGGRZCRGTXFQM-HKUYNNGSSA-N	0	1	332.444	2.664	40	30		EFEBMN
C=CCOc1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1	ZINC000052410897	473104383	/nfs/dbraw/zinc/10/43/83/473104383.db2.gz	LOTLYSKVCMRFJQ-UHFFFAOYSA-N	0	1	346.408	2.875	40	30		EFEBMN
COc1cc(C=NNc2nc3ccccc3n2C)cc([N+](=O)[O-])c1O	ZINC000052412209	473104982	/nfs/dbraw/zinc/10/49/82/473104982.db2.gz	AZPUGGKABGYKBH-RQZCQDPDSA-N	0	1	341.327	2.642	40	30		EFEBMN
C=CCOc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000052410978	473105008	/nfs/dbraw/zinc/10/50/08/473105008.db2.gz	CHUUNEDFMUZIKS-UHFFFAOYSA-N	0	1	334.353	2.960	40	30		EFEBMN
N#C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)C1CCCCC1	ZINC000096451401	473427805	/nfs/dbraw/zinc/42/78/05/473427805.db2.gz	ZELRLVDMZGZHNV-KRWDZBQOSA-N	0	1	333.476	2.610	40	30		EFEBMN
CC(=O)Nc1ccc(CC(=N)NOC(=O)c2ccc(C)cc2)cc1	ZINC000226102656	474239707	/nfs/dbraw/zinc/23/97/07/474239707.db2.gz	YJUNYJYMFBSOPT-UHFFFAOYSA-N	0	1	325.368	2.625	40	30		EFEBMN
C(=NN=c1nc(N2CCCC2)[nH]c(N2CCCC2)n1)c1cccs1	ZINC000408726901	476971938	/nfs/dbraw/zinc/97/19/38/476971938.db2.gz	VVLKPKDVFJZOEF-SFQUDFHCSA-N	0	1	343.460	2.580	40	30		EFEBMN
Cc1ccc(NC=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	ZINC000408742220	476972665	/nfs/dbraw/zinc/97/26/65/476972665.db2.gz	VHVSSZYOCNLUOM-SKCQWOFPSA-N	0	1	337.404	2.761	40	30		EFEBMN
FC(F)(F)c1ccc([N-][NH+]=Cc2ccc(N3CCOCC3)o2)nc1	ZINC000409011445	476977149	/nfs/dbraw/zinc/97/71/49/476977149.db2.gz	NKUIJWBLYUXKKU-JMIUGGIZSA-N	0	1	340.305	2.976	40	30		EFEBMN
FC(F)(F)c1ccc(NN=Cc2ccc(N3CCOCC3)o2)nc1	ZINC000409011445	476977154	/nfs/dbraw/zinc/97/71/54/476977154.db2.gz	NKUIJWBLYUXKKU-JMIUGGIZSA-N	0	1	340.305	2.976	40	30		EFEBMN
c1cc(N2CCOCC2)sc1CN=Nc1nncc2ccccc21	ZINC000006287701	518377960	/nfs/dbraw/zinc/37/79/60/518377960.db2.gz	FJYSUGXHUVMWQG-XDHOZWIPSA-N	0	1	339.424	2.974	40	30		EFEBMN
COc1ccc(C(=N)NOC(=O)COc2cc(C)cc(C)c2)cc1	ZINC000005535127	523366600	/nfs/dbraw/zinc/36/66/00/523366600.db2.gz	OBABWOMZONKXEQ-UHFFFAOYSA-N	0	1	328.368	2.555	40	30		EFEBMN
C=CCN1C(=O)NC(=O)/C(=C/c2ccccc2O[C@H](C)CC)C1=O	ZINC000408602437	534846238	/nfs/dbraw/zinc/84/62/38/534846238.db2.gz	NSEHPEZBGBMPOT-POKNLVKOSA-N	0	1	328.368	2.512	40	30		EFEBMN
N#Cc1ccccc1Cn1cc(/C=C2\NC(=O)NC2=O)c2ccccc21	ZINC000004702338	210252937	/nfs/dbraw/zinc/25/29/37/210252937.db2.gz	KRZNLSOMXDOOQB-MFOYZWKCSA-N	0	1	342.358	2.742	40	30		EFEBMN
N#Cc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccncc2)c1	ZINC000071195719	202342910	/nfs/dbraw/zinc/34/29/10/202342910.db2.gz	JQLUPMGRRACVDJ-GOSISDBHSA-N	0	1	343.390	2.946	40	30		EFEBMN
N#Cc1cccc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccncc2)c1	ZINC000071195720	202343121	/nfs/dbraw/zinc/34/31/21/202343121.db2.gz	JQLUPMGRRACVDJ-SFHVURJKSA-N	0	1	343.390	2.946	40	30		EFEBMN
O=[N+]([O-])c1cc(C=NN=c2[nH]c3ccccc3[nH]2)cc([N+](=O)[O-])c1	ZINC000408918474	242559832	/nfs/dbraw/zinc/55/98/32/242559832.db2.gz	KZKNSCNFRMBDAH-OVCLIPMQSA-N	0	1	326.272	2.825	40	30		EFEBMN
COc1ccc(CC2S/C(=N\N=C/c3cccs3)NC2=O)cc1	ZINC000019554441	212041319	/nfs/dbraw/zinc/04/13/19/212041319.db2.gz	JCBUCMHNESYHIN-AYCSXLNKSA-N	0	1	345.449	2.921	40	30		EFEBMN
CCOc1ccc(CC2S/C(=N/N=C\c3ccco3)NC2=O)cc1	ZINC000013154560	207360382	/nfs/dbraw/zinc/36/03/82/207360382.db2.gz	OUGPJWOLZOBHHI-GZQZNAIASA-N	0	1	343.408	2.843	40	30		EFEBMN
Cc1ccccc1NC=C1C(=O)NC(=S)N(c2ccccc2)C1=O	ZINC000408742119	281332581	/nfs/dbraw/zinc/33/25/81/281332581.db2.gz	UYMGNMOBLLGTOP-YRIIZNAFSA-N	0	1	337.404	2.761	40	30		EFEBMN
C=CCN1CCC[C@]12CCCN(S(=O)(=O)c1cccc(F)c1)C2	ZINC000096214819	473348084	/nfs/dbraw/zinc/34/80/84/473348084.db2.gz	VOYDWUSWIKSHQL-QGZVFWFLSA-N	0	1	338.448	2.631	40	30		EFEBMN
CNC(=N)NN=C(c1ccccc1)c1ccc(Br)cc1	ZINC000001572548	471393574	/nfs/dbraw/zinc/39/35/74/471393574.db2.gz	SOFUQTGDLLAPQE-RGEXLXHISA-N	0	1	331.217	2.945	40	30		EFEBMN
Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)[nH]1	ZINC000005677432	471516018	/nfs/dbraw/zinc/51/60/18/471516018.db2.gz	QICAMTNDPPZFHU-UHFFFAOYSA-N	0	1	333.442	2.656	40	30		EFEBMN
Cc1n[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1	ZINC000005677432	471516025	/nfs/dbraw/zinc/51/60/25/471516025.db2.gz	QICAMTNDPPZFHU-UHFFFAOYSA-N	0	1	333.442	2.656	40	30		EFEBMN
CC[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(C#N)cc1	ZINC000008254548	471675178	/nfs/dbraw/zinc/67/51/78/471675178.db2.gz	SRLGWCYJRDYROK-YQQAZPJKSA-N	0	1	328.485	2.965	40	30	biogenic,in-vitro	EFEBMN
CCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1	ZINC000016124898	471926704	/nfs/dbraw/zinc/92/67/04/471926704.db2.gz	RTVXRFBHVJNUFY-UHFFFAOYSA-N	0	1	330.365	2.536	40	30		EFEBMN
N#CC(C(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1)c1ccccn1	ZINC000078611942	472741868	/nfs/dbraw/zinc/74/18/68/472741868.db2.gz	KQXHUNCTFLAXCC-GOEBONIOSA-N	0	1	325.412	2.829	40	30		EFEBMN
C#CCN1CCC(C(=O)N2CC[C@H](CSc3ccccc3)C2)CC1	ZINC000081287214	473175343	/nfs/dbraw/zinc/17/53/43/473175343.db2.gz	FNVIUIBIUSGESP-KRWDZBQOSA-N	0	1	342.508	2.972	40	30		EFEBMN
C#CCN1CCC(C(=O)N2CC[C@@H](CSc3ccccc3)C2)CC1	ZINC000081287216	473175923	/nfs/dbraw/zinc/17/59/23/473175923.db2.gz	FNVIUIBIUSGESP-QGZVFWFLSA-N	0	1	342.508	2.972	40	30		EFEBMN
C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cncc(F)c1	ZINC000096500306	473452113	/nfs/dbraw/zinc/45/21/13/473452113.db2.gz	AOQLAMMWIONZOD-FZKQIMNGSA-N	0	1	338.386	2.939	40	30		EFEBMN
CCc1ccc2c(c1)C(=N[N-]c1cccc[nH+]1)C(=O)N2C1CSC1	ZINC000223726201	474189940	/nfs/dbraw/zinc/18/99/40/474189940.db2.gz	MNSBGYNZLKSNKH-FXBPSFAMSA-N	0	1	338.436	2.922	40	30		EFEBMN
CC(=O)Nc1ccc(CC(=N)NOC(=O)c2ccccc2C)cc1	ZINC000226102643	474240445	/nfs/dbraw/zinc/24/04/45/474240445.db2.gz	WTYNMZOTRCXWEZ-UHFFFAOYSA-N	0	1	325.368	2.625	40	30		EFEBMN
COc1cc(/C=N/O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000020228723	521998160	/nfs/dbraw/zinc/99/81/60/521998160.db2.gz	QXMUGIJNPMRFLX-CXUHLZMHSA-N	0	1	341.772	2.924	40	30		EFEBMN
N#C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1F	ZINC000073336576	216379419	/nfs/dbraw/zinc/37/94/19/216379419.db2.gz	UHMJPZDAXDDGKM-KRWDZBQOSA-N	0	1	345.418	2.542	40	30		EFEBMN
N=C(NCCc1c[nH]c2ccc(F)cc12)Nc1ncccc1[N+](=O)[O-]	ZINC000225242264	240232391	/nfs/dbraw/zinc/23/23/91/240232391.db2.gz	DIMIVQUXFZRGEL-UHFFFAOYSA-N	0	1	342.334	2.580	40	30		EFEBMN
CCc1nnc(Sc2nc(-c3ccncc3)n[nH]2)c(C#N)c1CC	ZINC000095411907	218348703	/nfs/dbraw/zinc/34/87/03/218348703.db2.gz	WSVCPHXLHYZSKI-UHFFFAOYSA-N	0	1	337.412	2.804	40	30		EFEBMN
C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(C#N)cc1	ZINC000008254577	544421360	/nfs/dbraw/zinc/42/13/60/544421360.db2.gz	KKCGANUMVWSTTK-YQQAZPJKSA-N	0	1	326.469	2.741	40	30	biogenic,in-vitro	EFEBMN
N#Cc1ccccc1NC(=O)CSc1nc(Cc2ccccc2)n[nH]1	ZINC000014152568	262503664	/nfs/dbraw/zinc/50/36/64/262503664.db2.gz	NNOBAKXWELMKBQ-UHFFFAOYSA-N	0	1	349.419	2.998	40	30		EFEBMN
COc1ccc([C@H]2C(C#N)C(=O)Nc3nc4ccccc4n32)c(OC)c1	ZINC000020637912	295251543	/nfs/dbraw/zinc/25/15/43/295251543.db2.gz	SHZXKWSYNGGRKN-DYVFJYSZSA-N	0	1	348.362	2.735	40	30		EFEBMN
O=C([N-]S(=O)(=O)c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000095447833	473206555	/nfs/dbraw/zinc/20/65/55/473206555.db2.gz	IEPOKUAPGFLINT-QGZVFWFLSA-N	0	1	344.436	2.996	40	30		EFEBMN
O=C([N-]S(=O)(=O)c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccccc1	ZINC000095447833	473206561	/nfs/dbraw/zinc/20/65/61/473206561.db2.gz	IEPOKUAPGFLINT-QGZVFWFLSA-N	0	1	344.436	2.996	40	30		EFEBMN
CC(C)Cc1nc(C(=O)C(C#N)C(=O)Nc2ccccn2)cs1	ZINC000138819595	473224270	/nfs/dbraw/zinc/22/42/70/473224270.db2.gz	ZCJIJIZEKGEIMK-LLVKDONJSA-N	0	1	328.397	2.698	40	30		EFEBMN
CC(C)Cc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cs1	ZINC000138819595	473224273	/nfs/dbraw/zinc/22/42/73/473224273.db2.gz	ZCJIJIZEKGEIMK-LLVKDONJSA-N	0	1	328.397	2.698	40	30		EFEBMN
N#Cc1cccc(N[C@H]2CO[C@]3(C2)CCCN(Cc2cccnc2)C3)n1	ZINC000096048318	473270594	/nfs/dbraw/zinc/27/05/94/473270594.db2.gz	WXLMDHRJKZPTAJ-QUCCMNQESA-N	0	1	349.438	2.584	40	30		EFEBMN
N#Cc1cccc(N[C@@H]2CO[C@]3(C2)CCCN(Cc2cccnc2)C3)n1	ZINC000096048319	473271639	/nfs/dbraw/zinc/27/16/39/473271639.db2.gz	WXLMDHRJKZPTAJ-ICSRJNTNSA-N	0	1	349.438	2.584	40	30		EFEBMN
C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cccnc1OC)C2	ZINC000096065027	473286469	/nfs/dbraw/zinc/28/64/69/473286469.db2.gz	PBGGRZCRGTXFQM-PKOBYXMFSA-N	0	1	332.444	2.664	40	30		EFEBMN
C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1cccc(F)c1)C2	ZINC000096214818	473347674	/nfs/dbraw/zinc/34/76/74/473347674.db2.gz	VOYDWUSWIKSHQL-KRWDZBQOSA-N	0	1	338.448	2.631	40	30		EFEBMN
Cc1ccc(S(=O)(=O)N=C(O)N[C@@H](C)Cc2ccccc2)cc1	ZINC000000002199	471316989	/nfs/dbraw/zinc/31/69/89/471316989.db2.gz	XILWEASNBDKGSA-AWEZNQCLSA-N	0	1	332.425	2.819	40	30	in-man	EFEBMN
C=CCn1c(C)c(C=Nn2c(=O)c(C)n[nH]c2=S)c2ccccc21	ZINC000000478702	471365541	/nfs/dbraw/zinc/36/55/41/471365541.db2.gz	NETLYZXXJJMSML-VCHYOVAHSA-N	0	1	339.424	2.941	40	30		EFEBMN
COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(O)c(O)c2)cc1	ZINC000006007005	471529850	/nfs/dbraw/zinc/52/98/50/471529850.db2.gz	NHUXMEHLAZKHRC-RQZCQDPDSA-N	0	1	342.380	2.910	40	30		EFEBMN
O=C([O-])c1cccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)c1	ZINC000006335411	471541131	/nfs/dbraw/zinc/54/11/31/471541131.db2.gz	QJNINULUCXUHSB-CPNJWEJPSA-N	0	1	325.368	2.667	40	30		EFEBMN
COC(=O)COc1ccc(CN=Nc2nc3ccccc3n2C)cc1	ZINC000007343328	471606524	/nfs/dbraw/zinc/60/65/24/471606524.db2.gz	LXTVIEYDMHPTRQ-YBFXNURJSA-N	0	1	338.367	2.571	40	30		EFEBMN
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(Cl)cc1	ZINC000008300021	471679344	/nfs/dbraw/zinc/67/93/44/471679344.db2.gz	XXTIOPHTWLFTFB-KCQAQPDRSA-N	0	1	340.876	2.515	40	30	biogenic,in-vitro	EFEBMN
C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(Cl)cc1	ZINC000008300021	471679345	/nfs/dbraw/zinc/67/93/45/471679345.db2.gz	XXTIOPHTWLFTFB-KCQAQPDRSA-N	0	1	340.876	2.515	40	30	biogenic,in-vitro	EFEBMN
NC(=O)CCn1cc(C=NN=c2[nH]c3ccccc3[nH]2)c2ccccc21	ZINC000014134282	471853928	/nfs/dbraw/zinc/85/39/28/471853928.db2.gz	QFDCSSZWIKGXCE-SRZZPIQSSA-N	0	1	346.394	2.839	40	30		EFEBMN
N#CCSCC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000046025032	472497769	/nfs/dbraw/zinc/49/77/69/472497769.db2.gz	HORRJIQLOGFTBF-UHFFFAOYSA-N	0	1	337.876	2.677	40	30		EFEBMN
C=CCN(C)C(=O)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000155745968	472607053	/nfs/dbraw/zinc/60/70/53/472607053.db2.gz	OKUCZINNYBZCPM-QZTJIDSGSA-N	0	1	329.444	2.800	40	30		EFEBMN
N#C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)C1CCCCC1	ZINC000096451400	473427481	/nfs/dbraw/zinc/42/74/81/473427481.db2.gz	ZELRLVDMZGZHNV-QGZVFWFLSA-N	0	1	333.476	2.610	40	30		EFEBMN
Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)CCCC#N)C3)[nH]c2c1	ZINC000096492646	473449421	/nfs/dbraw/zinc/44/94/21/473449421.db2.gz	GPRDSJSCYVMADD-AWEZNQCLSA-N	0	1	346.456	2.684	40	30		EFEBMN
CC(=Cc1cnn(Cc2ccccc2)c1)c1nc(C)c(C#N)c(=O)[nH]1	ZINC000193613242	473797139	/nfs/dbraw/zinc/79/71/39/473797139.db2.gz	LBKQTHAQIRMUFL-MDWZMJQESA-N	0	1	331.379	2.755	40	30		EFEBMN
N#CC1(c2ccccc2)CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1	ZINC000225514046	474221565	/nfs/dbraw/zinc/22/15/65/474221565.db2.gz	ZVHKBJPXUWANIO-HNNXBMFYSA-N	0	1	334.423	2.599	40	30		EFEBMN
N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1cccc3ccccc31)C2	ZINC000225683042	474235414	/nfs/dbraw/zinc/23/54/14/474235414.db2.gz	HXEYHBYSQUWTNB-UHFFFAOYSA-N	0	1	329.359	2.598	40	30		EFEBMN
CCN1CCN(c2c(N)cc(C#N)n2Cc2ccccc2Cl)CC1	ZINC000225869860	474238996	/nfs/dbraw/zinc/23/89/96/474238996.db2.gz	ILWUTZIAYVZWID-UHFFFAOYSA-N	0	1	343.862	2.786	40	30		EFEBMN
CC[NH+]1CCN(C[C@@H](C)CNc2nc3c(cc2C#N)CCCC3)CC1	ZINC000189443651	474400641	/nfs/dbraw/zinc/40/06/41/474400641.db2.gz	RHAOWUBOHBHWIG-INIZCTEOSA-N	0	1	341.503	2.518	40	30		EFEBMN
CCNC(=S)N/N=C\c1cc(Br)cc(Cl)c1O	ZINC000409371790	476982904	/nfs/dbraw/zinc/98/29/04/476982904.db2.gz	HZUMHQKGGNJIND-RZNTYIFUSA-N	0	1	336.642	2.626	40	30		EFEBMN
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(C#N)cc1	ZINC000409371943	476983193	/nfs/dbraw/zinc/98/31/93/476983193.db2.gz	MYHYWNOONXQBKT-SFHVURJKSA-N	0	1	347.374	2.887	40	30		EFEBMN
CC1=C(C#N)C(=O)N(CCO)C(=O)C1=NNc1ccccc1Cl	ZINC000108423563	1416821944	/nfs/dbraw/zinc/82/19/44/1416821944.db2.gz	HUVNSFGKMMSHPV-VHEBQXMUSA-N	0	1	332.747	2.795	40	30		EFEBMN
CCc1cc(C2CC2)nc(NS(=O)(=O)c2cccc(C#N)c2)n1	ZINC000195579797	241026408	/nfs/dbraw/zinc/02/64/08/241026408.db2.gz	BUQSSFFOUHYSDK-UHFFFAOYSA-N	0	1	328.397	2.589	40	30		EFEBMN
C=C(C)CNC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1	ZINC000119065819	221235668	/nfs/dbraw/zinc/23/56/68/221235668.db2.gz	AJMQKFLERGCDKC-AWEZNQCLSA-N	0	1	334.439	2.514	40	30		EFEBMN
Cc1cc([C@@H]2CCCN(C(=O)Nc3snc(C)c3C#N)C2)n[nH]1	ZINC000297553672	267360894	/nfs/dbraw/zinc/36/08/94/267360894.db2.gz	ZTMGXHQEPLSAFN-LLVKDONJSA-N	0	1	330.417	2.766	40	30		EFEBMN
Cc1cc([C@H]2CCCN(C(=O)Nc3snc(C)c3C#N)C2)n[nH]1	ZINC000297553674	267364586	/nfs/dbraw/zinc/36/45/86/267364586.db2.gz	ZTMGXHQEPLSAFN-NSHDSACASA-N	0	1	330.417	2.766	40	30		EFEBMN
Cc1nc([C@H]2CN(c3cc(C#N)ccc3C(F)(F)F)CCO2)n[nH]1	ZINC000126549535	279058378	/nfs/dbraw/zinc/05/83/78/279058378.db2.gz	IVIQJJLUECMQNX-CYBMUJFWSA-N	0	1	337.305	2.582	40	30		EFEBMN
N#Cc1cccc(CN2CC[C@H]3[C@@H]2CCC(=O)N3c2cccnc2)c1	ZINC000096186461	473329815	/nfs/dbraw/zinc/32/98/15/473329815.db2.gz	VUXAGBUHIJCOBI-OALUTQOASA-N	0	1	332.407	2.723	40	30		EFEBMN
C#CCOc1ccc([N+](=O)[O-])cc1C=NNc1nc2ccccc2n1C	ZINC000007343315	471606933	/nfs/dbraw/zinc/60/69/33/471606933.db2.gz	WXGNVSNXTIOHFQ-XDHOZWIPSA-N	0	1	349.350	2.940	40	30		EFEBMN
CCOc1ccc(CC2S/C(=N/N=C\c3ccco3)NC2=O)cc1	ZINC000013154562	471819343	/nfs/dbraw/zinc/81/93/43/471819343.db2.gz	OUGPJWOLZOBHHI-JQFNYASXSA-N	0	1	343.408	2.843	40	30		EFEBMN
C=CCNC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	ZINC000020241721	471988359	/nfs/dbraw/zinc/98/83/59/471988359.db2.gz	VWBXACCLCACUFB-UHFFFAOYSA-N	0	1	335.451	2.925	40	30		EFEBMN
COc1ccc(CN2CCCN(C(=O)c3ccc(C#N)cc3)CC2)cc1	ZINC000044892239	472348855	/nfs/dbraw/zinc/34/88/55/472348855.db2.gz	FHWIWZJBFYWKFM-UHFFFAOYSA-N	0	1	349.434	2.915	40	30		EFEBMN
CC1(C)CC2=C(C(=O)C1)[C@@H](c1ccc([N+](=O)[O-])cc1)C([N+](=O)[O-])O2	ZINC000100929284	472529773	/nfs/dbraw/zinc/52/97/73/472529773.db2.gz	UFKIGFOZDRJOGW-HIFRSBDPSA-N	0	1	332.312	2.955	40	30		EFEBMN
N#CC(C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1)c1ccccn1	ZINC000078611935	472742137	/nfs/dbraw/zinc/74/21/37/472742137.db2.gz	KQXHUNCTFLAXCC-GDBMZVCRSA-N	0	1	325.412	2.829	40	30		EFEBMN
N#Cc1cccc(N[C@H]2CO[C@]3(C2)CCCN(Cc2ccccn2)C3)n1	ZINC000107730732	472978954	/nfs/dbraw/zinc/97/89/54/472978954.db2.gz	LQDCYOSCNOXXFJ-QUCCMNQESA-N	0	1	349.438	2.584	40	30		EFEBMN
C[C@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccccc1Cl	ZINC000096437227	473416125	/nfs/dbraw/zinc/41/61/25/473416125.db2.gz	MULXTTMCIGGDTL-SJKOYZFVSA-N	0	1	343.814	2.795	40	30		EFEBMN
N#CCCN1CC[C@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000096496461	473452144	/nfs/dbraw/zinc/45/21/44/473452144.db2.gz	CXVYSMMJYPDHQA-KGLIPLIRSA-N	0	1	343.324	2.576	40	30		EFEBMN
C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(O)c1	ZINC000194970194	473985437	/nfs/dbraw/zinc/98/54/37/473985437.db2.gz	NTFOIENJTKGJIR-KUHUBIRLSA-N	0	1	335.407	2.716	40	30		EFEBMN
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1C[C@@H](O)c1ccccc1	ZINC000195531574	474090132	/nfs/dbraw/zinc/09/01/32/474090132.db2.gz	ONXQAFOXRPXIEX-GGPKGHCWSA-N	0	1	343.471	2.629	40	30		EFEBMN
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1C[C@H](O)c1ccccc1	ZINC000245338787	474573166	/nfs/dbraw/zinc/57/31/66/474573166.db2.gz	ONXQAFOXRPXIEX-BJLQDIEVSA-N	0	1	343.471	2.629	40	30		EFEBMN
CCOC(=O)CC(N=Nc1ccncc1[N+](=O)[O-])c1ccccc1	ZINC000016682265	520433934	/nfs/dbraw/zinc/43/39/34/520433934.db2.gz	CAKGSEYMPMCJAK-XMHGGMMESA-N	0	1	328.328	2.759	40	30		EFEBMN
CC1=C(C#N)C(=O)N(CCO)C(=O)C1=NNc1ccc(Cl)cc1	ZINC000108423573	1416821976	/nfs/dbraw/zinc/82/19/76/1416821976.db2.gz	RCTIGLKXPTYRHU-VHEBQXMUSA-N	0	1	332.747	2.795	40	30		EFEBMN
C=CCN1C(=O)NC(=O)/C(=C/c2cn(CCC)c3ccccc23)C1=O	ZINC000000527582	1093973149	/nfs/dbraw/zinc/97/31/49/1093973149.db2.gz	IOCRHGBMLNYZHX-PTNGSMBKSA-N	0	1	337.379	2.699	40	30		EFEBMN
CN1CCN(/C=N/C2=NN(c3cccc(C(F)(F)F)c3)CC2)CC1	ZINC000003218859	1095442754	/nfs/dbraw/zinc/44/27/54/1095442754.db2.gz	GQTFFEULGUPLRB-UDWIEESQSA-N	0	1	339.365	2.505	40	30		EFEBMN
CC([O-])=C1C(=O)[C@H]2[C@@H]3c4c[nH]c5cccc(c54)C[C@@H]3C(C)(C)N2C1=O	ZINC000100006436	219088282	/nfs/dbraw/zinc/08/82/82/219088282.db2.gz	CNZIQHGDUXRUJS-TYWXYPJRSA-N	0	1	336.391	2.828	40	30	in-vitro	EFEBMN
O=C(Cc1nc2cc(Cl)cc([N+](=O)[O-])c2[nH]c1=O)c1ccccn1	ZINC000104238035	219364681	/nfs/dbraw/zinc/36/46/81/219364681.db2.gz	TYCLBVRTOSNOBE-YRNVUSSQSA-N	0	1	344.714	2.774	40	30		EFEBMN
N#Cc1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccncc3)CC2)c1	ZINC000183711050	235204338	/nfs/dbraw/zinc/20/43/38/235204338.db2.gz	SOTZTKRNKKTPGU-UHFFFAOYSA-N	0	1	337.383	2.938	40	30		EFEBMN
COc1cc([N+](=O)[O-])cc(C=NNc2ccc([N+](=O)[O-])cc2)c1O	ZINC000035183217	213013405	/nfs/dbraw/zinc/01/34/05/213013405.db2.gz	XKZIWTNVVWZRBT-OVCLIPMQSA-N	0	1	332.272	2.663	40	30		EFEBMN
Cc1nc2n(n1)C[C@H]([NH+]=C([O-])NCc1csc3ccccc13)CC2	ZINC000328822492	241250378	/nfs/dbraw/zinc/25/03/78/241250378.db2.gz	QSVPIVNQRNZWNN-CYBMUJFWSA-N	0	1	341.440	2.820	40	30		EFEBMN
Cc1nc2n(n1)C[C@H](NC(=O)NCc1csc3ccccc13)CC2	ZINC000328822492	241250381	/nfs/dbraw/zinc/25/03/81/241250381.db2.gz	QSVPIVNQRNZWNN-CYBMUJFWSA-N	0	1	341.440	2.820	40	30		EFEBMN
CC(C)Cn1c(C#N)cc(N)c1N1CCN(Cc2ccccc2)CC1	ZINC000225871854	242068137	/nfs/dbraw/zinc/06/81/37/242068137.db2.gz	QEOWTEDTHPSRFE-UHFFFAOYSA-N	0	1	337.471	2.920	40	30		EFEBMN
C=CCNC(=O)CN1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1	ZINC000012475078	211392340	/nfs/dbraw/zinc/39/23/40/211392340.db2.gz	KNDBTAYNKFITSD-UHFFFAOYSA-N	0	1	326.444	2.661	40	30		EFEBMN
Cc1ccc(N2C(=O)C(=CNC3CCCCC3)C(=O)NC2=S)cc1	ZINC000408759834	292127553	/nfs/dbraw/zinc/12/75/53/292127553.db2.gz	MMYVEKHYICNXCR-BKQORJHRSA-N	0	1	343.452	2.762	40	30		EFEBMN
C#CCN1CCC(C(=O)N2CCSC[C@H]2c2ccc(C)cc2)CC1	ZINC000096407398	275381835	/nfs/dbraw/zinc/38/18/35/275381835.db2.gz	URSXLSMLXNNVNL-IBGZPJMESA-N	0	1	342.508	2.957	40	30		EFEBMN
Cc1nc([C@@H]2CN(c3cc(C#N)ccc3C(F)(F)F)CCO2)n[nH]1	ZINC000126549296	293125692	/nfs/dbraw/zinc/12/56/92/293125692.db2.gz	IVIQJJLUECMQNX-ZDUSSCGKSA-N	0	1	337.305	2.582	40	30		EFEBMN
C#CCOc1ccc(N(C)C(=O)c2nnc3ccccc3c2O)cc1	ZINC000096411233	473390542	/nfs/dbraw/zinc/39/05/42/473390542.db2.gz	VSQJWVUXEVAEHX-UHFFFAOYSA-N	0	1	333.347	2.624	40	30		EFEBMN
O=C1CSC(NN=Cc2cccc(OCc3ccc(F)cc3)c2)=N1	ZINC000006225060	471534946	/nfs/dbraw/zinc/53/49/46/471534946.db2.gz	UVXKRHWCOJTYBQ-DJKKODMXSA-N	0	1	343.383	2.958	40	30		EFEBMN
CSc1ncccc1C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1	ZINC000006610298	471554792	/nfs/dbraw/zinc/55/47/92/471554792.db2.gz	UTQGDLIOPVDOIA-LLVKDONJSA-N	0	1	347.421	2.602	40	30		EFEBMN
CSc1ncccc1C(=O)OCC(=O)C(C#N)c1nc(C)cs1	ZINC000006610298	471554797	/nfs/dbraw/zinc/55/47/97/471554797.db2.gz	UTQGDLIOPVDOIA-LLVKDONJSA-N	0	1	347.421	2.602	40	30		EFEBMN
COCc1cc(C=Nn2c(=S)[nH]nc2C(F)F)ccc1OC	ZINC000008469368	471689045	/nfs/dbraw/zinc/68/90/45/471689045.db2.gz	ABENZLREYVWQNE-OMCISZLKSA-N	0	1	328.344	2.542	40	30		EFEBMN
C=CCN(C)C(=O)N[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000155746089	472606885	/nfs/dbraw/zinc/60/68/85/472606885.db2.gz	OKUCZINNYBZCPM-ZWKOTPCHSA-N	0	1	329.444	2.800	40	30		EFEBMN
Cn1c2ccccc2s/c1=N\N=C/c1ccc([N+](=O)[O-])cc1O	ZINC000059483644	472627513	/nfs/dbraw/zinc/62/75/13/472627513.db2.gz	UDIBBAVKYYEPAS-MQJBALOHSA-N	0	1	328.353	2.788	40	30		EFEBMN
CC(C)(C)c1ccc(C(=O)N2CCc3[nH]c(=O)c(C#N)cc3C2)cc1	ZINC000225683211	474235378	/nfs/dbraw/zinc/23/53/78/474235378.db2.gz	BLGUKBCINTWTBK-UHFFFAOYSA-N	0	1	335.407	2.743	40	30		EFEBMN
Cc1nnc(SCC(=O)NCc2nccn2-c2ccccc2)[nH]1	ZINC000330031763	475188007	/nfs/dbraw/zinc/18/80/07/475188007.db2.gz	CXMXWFUBQQCLAD-UHFFFAOYSA-N	0	1	328.401	2.548	40	30		EFEBMN
Cc1n[nH]c(SCC(=O)NCc2nccn2-c2ccccc2)n1	ZINC000330031763	475188010	/nfs/dbraw/zinc/18/80/10/475188010.db2.gz	CXMXWFUBQQCLAD-UHFFFAOYSA-N	0	1	328.401	2.548	40	30		EFEBMN
C=CCN1C(=O)S/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O	ZINC000409067213	476976618	/nfs/dbraw/zinc/97/66/18/476976618.db2.gz	OJRRYQMWUZBVDH-YRNVUSSQSA-N	0	1	336.325	2.531	40	30		EFEBMN
Cc1ccc(S(=O)(=O)N=C(O)N[C@H](C)Cc2ccccc2)cc1	ZINC000000347016	525482469	/nfs/dbraw/zinc/48/24/69/525482469.db2.gz	XILWEASNBDKGSA-CQSZACIVSA-N	0	1	332.425	2.819	40	30		EFEBMN
Cc1cccc2c1ncc(C#N)c2NC[C@@H](c1cnn(C)c1)N(C)C	ZINC000078290459	202390051	/nfs/dbraw/zinc/39/00/51/202390051.db2.gz	JKQRBOJRRUEXJE-KRWDZBQOSA-N	0	1	334.427	2.863	40	30		EFEBMN
C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccsc2)CNCCO1	ZINC000072389355	216189949	/nfs/dbraw/zinc/18/99/49/216189949.db2.gz	PEQVLTGYXYOSGZ-IBGZPJMESA-N	0	1	342.464	2.618	40	30		EFEBMN
COc1ccc([C@@H]2C(C#N)C(=O)Nc3nc4ccccc4n32)c(OC)c1	ZINC000020637915	295230300	/nfs/dbraw/zinc/23/03/00/295230300.db2.gz	SHZXKWSYNGGRKN-SUMWQHHRSA-N	0	1	348.362	2.735	40	30		EFEBMN
N#Cc1cccc(N[C@H]2CO[C@@]3(C2)CCCN(Cc2ccoc2)C3)n1	ZINC000096048304	473272386	/nfs/dbraw/zinc/27/23/86/473272386.db2.gz	MLLXNQVDFDOQNK-IEBWSBKVSA-N	0	1	338.411	2.782	40	30		EFEBMN
Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)nc1	ZINC000083577284	473351716	/nfs/dbraw/zinc/35/17/16/473351716.db2.gz	LDVGPHTXBGAMLV-UHFFFAOYSA-N	0	1	341.314	2.503	40	30		EFEBMN
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(N)=S)cc2)c1O	ZINC000006274852	471538650	/nfs/dbraw/zinc/53/86/50/471538650.db2.gz	OHLRSBGBLTWBEX-CAOOACKPSA-N	0	1	346.368	2.715	40	30		EFEBMN
C=CCn1ncc(CN2CCC(O)(c3ccccc3OC)CC2)c1C	ZINC000012330670	471771912	/nfs/dbraw/zinc/77/19/12/471771912.db2.gz	OWOMFOUAWDEMMO-UHFFFAOYSA-N	0	1	341.455	2.870	40	30		EFEBMN
COc1cccc([C@H]2C(C#N)C(=O)Nc3nc4ccccc4n32)c1OC	ZINC000020637890	471991976	/nfs/dbraw/zinc/99/19/76/471991976.db2.gz	HQGXUJFOTLFFHT-LRDDRELGSA-N	0	1	348.362	2.735	40	30		EFEBMN
C[C@@H](NCC#Cc1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1	ZINC000119025468	472519983	/nfs/dbraw/zinc/51/99/83/472519983.db2.gz	AKZICPBEGWQUCS-CQSZACIVSA-N	0	1	346.427	2.900	40	30		EFEBMN
C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc(NS(C)(=O)=O)c1	ZINC000119043191	472521313	/nfs/dbraw/zinc/52/13/13/472521313.db2.gz	MQTGIFWQEMNPML-GFCCVEGCSA-N	0	1	347.415	2.920	40	30		EFEBMN
C=CCOC[C@H]1CC[C@H]2[C@H](CCN2Cc2ccc3c(c2)OCO3)O1	ZINC000107206384	472934140	/nfs/dbraw/zinc/93/41/40/472934140.db2.gz	CWPIIGISBJXSNG-IKGGRYGDSA-N	0	1	331.412	2.740	40	30		EFEBMN
C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cccnc1OC)C2	ZINC000107771358	472981334	/nfs/dbraw/zinc/98/13/34/472981334.db2.gz	PBGGRZCRGTXFQM-MJGOQNOKSA-N	0	1	332.444	2.664	40	30		EFEBMN
C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)Cc1cc(C)[nH]n1	ZINC000161069211	473203894	/nfs/dbraw/zinc/20/38/94/473203894.db2.gz	WTCBBNHCMYAACB-LLVKDONJSA-N	0	1	330.363	2.622	40	30		EFEBMN
CCCNC(=O)c1cccc(C(=O)C(C#N)c2nc(C)cc(C)n2)c1	ZINC000096422128	473400438	/nfs/dbraw/zinc/40/04/38/473400438.db2.gz	AENIRRWKCMQXOQ-MRXNPFEDSA-N	0	1	336.395	2.723	40	30		EFEBMN
C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cncc(F)c1	ZINC000096500308	473451831	/nfs/dbraw/zinc/45/18/31/473451831.db2.gz	AOQLAMMWIONZOD-ACJLOTCBSA-N	0	1	338.386	2.939	40	30		EFEBMN
COc1ccc(C2=NO[C@H](CNC(=O)CN3CCC[C@H]3C)C2)cc1F	ZINC000330032866	475188509	/nfs/dbraw/zinc/18/85/09/475188509.db2.gz	SMOPNJJEUASXKH-OCCSQVGLSA-N	0	1	349.406	2.768	40	30		EFEBMN
C=CCOc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1	ZINC000408615984	476969887	/nfs/dbraw/zinc/96/98/87/476969887.db2.gz	DQKCXWIPKHJHMX-UHFFFAOYSA-N	0	1	346.408	2.875	40	30		EFEBMN
CN1CCN(c2ccc(NC(=O)c3ccnc(C4CC4)c3)nc2)CC1	ZINC000329350661	536422784	/nfs/dbraw/zinc/42/27/84/536422784.db2.gz	WWPGFLGEFBEHMM-UHFFFAOYSA-N	0	1	337.427	2.742	40	30		EFEBMN
CC(=O)Nc1ccc(CC(=N)NOC(=O)c2ccccc2Cl)cc1	ZINC000226102686	242089529	/nfs/dbraw/zinc/08/95/29/242089529.db2.gz	IAUBZSDEZRVNEN-UHFFFAOYSA-N	0	1	345.786	2.970	40	30		EFEBMN
Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)OCC#N)ccc1F	ZINC000011333434	211211772	/nfs/dbraw/zinc/21/17/72/211211772.db2.gz	NXGMDKGXTJBSQJ-UHFFFAOYSA-N	0	1	348.355	2.615	40	30		EFEBMN
COc1ccc(C=NN=c2[nH]c3ccccc3n3cnnc23)c(OC)c1	ZINC000004952815	210337166	/nfs/dbraw/zinc/33/71/66/210337166.db2.gz	MMBLAZWDOOJIQQ-VXLYETTFSA-N	0	1	348.366	2.741	40	30		EFEBMN
N#Cc1cc(Br)ccc1N1CCC(c2nc[nH]n2)CC1	ZINC000097370410	219015684	/nfs/dbraw/zinc/01/56/84/219015684.db2.gz	DBRFJFBHVCAAIU-UHFFFAOYSA-N	0	1	332.205	2.823	40	30		EFEBMN
C#C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2COC(=O)Nc1cc(OC)cc(OC)c1	ZINC000008300183	544422251	/nfs/dbraw/zinc/42/22/51/544422251.db2.gz	YVEFWOUVVOXWEH-OFQRWUPVSA-N	0	1	344.411	2.596	40	30	biogenic,in-vitro	EFEBMN
Cc1ccccc1NC=C1C(=O)NC(=S)N(c2ccccc2)C1=O	ZINC000408742116	281332583	/nfs/dbraw/zinc/33/25/83/281332583.db2.gz	UYMGNMOBLLGTOP-HIPSJFSSSA-N	0	1	337.404	2.761	40	30		EFEBMN
COc1ccc([C@@H]2C(C#N)C(=O)Nc3nc4ccccc4n32)c(OC)c1	ZINC000020637909	295229242	/nfs/dbraw/zinc/22/92/42/295229242.db2.gz	SHZXKWSYNGGRKN-CXAGYDPISA-N	0	1	348.362	2.735	40	30		EFEBMN
N#Cc1cccc(N2C[C@]3(CCN(Cc4ccccn4)C3)CC2=O)c1	ZINC000096238882	473360575	/nfs/dbraw/zinc/36/05/75/473360575.db2.gz	FONGJRHRZOMIBM-HXUWFJFHSA-N	0	1	332.407	2.582	40	30		EFEBMN
Cc1cc(C[C@H](C)NC(=O)Nc2cc(C#N)ccc2OC(F)F)n[nH]1	ZINC000097099395	472445875	/nfs/dbraw/zinc/44/58/75/472445875.db2.gz	TVUQDGFMXGLOCB-VIFPVBQESA-N	0	1	349.341	2.944	40	30		EFEBMN
Cc1cc(C[C@@H](C)NC(=O)Nc2cc(C#N)ccc2OC(F)F)n[nH]1	ZINC000097099391	472446013	/nfs/dbraw/zinc/44/60/13/472446013.db2.gz	TVUQDGFMXGLOCB-SECBINFHSA-N	0	1	349.341	2.944	40	30		EFEBMN
O=C(COC[C@@H]1CCCO1)Nc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000095349719	473189475	/nfs/dbraw/zinc/18/94/75/473189475.db2.gz	GOGGJKBCHBNYAI-LBPRGKRZSA-N	0	1	336.779	2.909	40	30		EFEBMN
C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(O)c1	ZINC000194970168	473984475	/nfs/dbraw/zinc/98/44/75/473984475.db2.gz	NTFOIENJTKGJIR-AUUYWEPGSA-N	0	1	335.407	2.716	40	30		EFEBMN
N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1cc3ccccc3s1)C2	ZINC000225683594	474235953	/nfs/dbraw/zinc/23/59/53/474235953.db2.gz	DDOROWNMUVAQLT-UHFFFAOYSA-N	0	1	335.388	2.660	40	30		EFEBMN
C=CCOC(=O)c1cc(-n2cccc2)ccc1N1CCN(C)CC1	ZINC000226278254	474240292	/nfs/dbraw/zinc/24/02/92/474240292.db2.gz	UXWQZNRQLVIHCU-UHFFFAOYSA-N	0	1	325.412	2.572	40	30		EFEBMN
C=CCN(C)C(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1	ZINC000249279553	474551760	/nfs/dbraw/zinc/55/17/60/474551760.db2.gz	OKUCZINNYBZCPM-MSOLQXFVSA-N	0	1	329.444	2.800	40	30		EFEBMN
C=CCCC(=O)N1CCC2(C[C@H](CN3CCC(F)(F)CC3)O2)CC1	ZINC000306135017	474809369	/nfs/dbraw/zinc/80/93/69/474809369.db2.gz	OEYJWLLOHSZXIR-OAHLLOKOSA-N	0	1	342.430	2.834	40	30		EFEBMN
COc1cc(/C=N/O)cc(Cl)c1OS(=O)(=O)c1ccccc1	ZINC000409068389	476976987	/nfs/dbraw/zinc/97/69/87/476976987.db2.gz	SNLYGEYKHSBCTG-CXUHLZMHSA-N	0	1	341.772	2.924	40	30		EFEBMN
Cn1c2ccc(C=NNc3ccc(C(F)(F)F)cn3)cc2n(C)c1=O	ZINC000409103121	476978862	/nfs/dbraw/zinc/97/88/62/476978862.db2.gz	ASLCMYYPCFTEAC-ODCIPOBUSA-N	0	1	349.316	2.737	40	30		EFEBMN
CS(=O)(=O)OCCCCCCCCCCCN1CCOCC1	ZINC000005519520	525227914	/nfs/dbraw/zinc/22/79/14/525227914.db2.gz	VVIJYNRPAVUNET-UHFFFAOYSA-N	0	1	335.510	2.806	40	30		EFEBMN
O=C1CSC(NN=Cc2ccccc2OCC2=CC[C@H](F)C=C2)=N1	ZINC000003255921	527017201	/nfs/dbraw/zinc/01/72/01/527017201.db2.gz	QPJSRRDJNPDABQ-MRGVZLDZSA-N	0	1	345.399	2.843	40	30		EFEBMN
N#CC(C(=O)C[C@@]12CCCC[C@@H]1C2(F)F)C(=O)Nc1ccccn1	ZINC000585094021	546371204	/nfs/dbraw/zinc/37/12/04/546371204.db2.gz	LZXRDVHNFAVUGI-FFSVYQOJSA-N	0	1	333.338	2.945	40	30		EFEBMN
N#CC(C(=O)C[C@]12CCCC[C@H]1C2(F)F)C(=O)Nc1ccccn1	ZINC000585094020	546371427	/nfs/dbraw/zinc/37/14/27/546371427.db2.gz	LZXRDVHNFAVUGI-AXAPSJFSSA-N	0	1	333.338	2.945	40	30		EFEBMN
N#C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1F	ZINC000073336572	216379313	/nfs/dbraw/zinc/37/93/13/216379313.db2.gz	UHMJPZDAXDDGKM-QGZVFWFLSA-N	0	1	345.418	2.542	40	30		EFEBMN
C=CCNC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000022586029	212308926	/nfs/dbraw/zinc/30/89/26/212308926.db2.gz	QHOIEGQNGGJUFY-UHFFFAOYSA-N	0	1	349.478	2.696	40	30		EFEBMN
Cc1nnccc1[NH+]=C([O-])N1CCn2c(C3CCCC3)nnc2[C@@H]1C	ZINC000329240755	241331687	/nfs/dbraw/zinc/33/16/87/241331687.db2.gz	MYMBUBXDLYKLQS-LBPRGKRZSA-N	0	1	341.419	2.656	40	30		EFEBMN
CCOC(=O)CCC(=NNc1cc(Cl)ccc1N)C(=O)OCC	ZINC000016682786	211928401	/nfs/dbraw/zinc/92/84/01/211928401.db2.gz	ICCXWYSHHXZWKI-LDADJPATSA-N	0	1	341.795	2.597	40	30		EFEBMN
N#Cc1ccnc(N2CCN(c3ccnc4cc(F)ccc43)CC2)c1	ZINC000079096580	217191620	/nfs/dbraw/zinc/19/16/20/217191620.db2.gz	FKNRTAJKUDJYMB-UHFFFAOYSA-N	0	1	333.370	2.967	40	30		EFEBMN
COc1cc([C@@H]2NC(=O)C(=O)C2C(=O)c2ccc(C)cc2)ccc1O	ZINC000004901571	210316472	/nfs/dbraw/zinc/31/64/72/210316472.db2.gz	APVSMKUJONZPRD-INIZCTEOSA-N	0	1	339.347	2.575	40	30		EFEBMN
N#CCC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1	ZINC000097377956	219018922	/nfs/dbraw/zinc/01/89/22/219018922.db2.gz	SZXFPMFJPBFYHT-UHFFFAOYSA-N	0	1	348.450	2.539	40	30		EFEBMN
CC1(C)CC2=C(C(=O)C1)[C@H](c1cccc([N+](=O)[O-])c1)C([N+](=O)[O-])O2	ZINC000100929298	278191346	/nfs/dbraw/zinc/19/13/46/278191346.db2.gz	UQHRGGVWXVAUMF-ZFWWWQNUSA-N	0	1	332.312	2.955	40	30		EFEBMN
C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1ccccc1F)C2	ZINC000096214815	473347395	/nfs/dbraw/zinc/34/73/95/473347395.db2.gz	RTIITZBJLHVBFN-KRWDZBQOSA-N	0	1	338.448	2.631	40	30		EFEBMN
C=CCN1CCC[C@]12CCCN(S(=O)(=O)c1ccc(F)cc1)C2	ZINC000096214814	473348030	/nfs/dbraw/zinc/34/80/30/473348030.db2.gz	LXXUPICUWYCJHT-QGZVFWFLSA-N	0	1	338.448	2.631	40	30		EFEBMN
N#Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCCN(Cc2ccco2)C3)n1	ZINC000096223051	473356179	/nfs/dbraw/zinc/35/61/79/473356179.db2.gz	ZBVLANSVYBABPF-QFBILLFUSA-N	0	1	338.411	2.782	40	30		EFEBMN
Cc1ccc(-n2nnnc2[C@H](C#N)C(=O)c2cc(F)cc(F)c2)cc1	ZINC000016311419	471931420	/nfs/dbraw/zinc/93/14/20/471931420.db2.gz	KKAWFSJNWXRDBN-OAHLLOKOSA-N	0	1	339.305	2.739	40	30		EFEBMN
Cc1ccc(-n2nnnc2C(C#N)C(=O)c2cc(F)cc(F)c2)cc1	ZINC000016311419	471931424	/nfs/dbraw/zinc/93/14/24/471931424.db2.gz	KKAWFSJNWXRDBN-OAHLLOKOSA-N	0	1	339.305	2.739	40	30		EFEBMN
COc1ccc(-c2cc(=O)[nH]c(NC(=N)Nc3ccccc3)n2)cc1	ZINC000017070595	471955388	/nfs/dbraw/zinc/95/53/88/471955388.db2.gz	KXVPQCMYDHZIGR-UHFFFAOYSA-N	0	1	335.367	2.504	40	30		EFEBMN
C=CCNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	ZINC000020241781	471988097	/nfs/dbraw/zinc/98/80/97/471988097.db2.gz	AKAYDONMDREGFS-UHFFFAOYSA-N	0	1	349.478	2.920	40	30		EFEBMN
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(CC#N)cc2)c1	ZINC000029972274	472309764	/nfs/dbraw/zinc/30/97/64/472309764.db2.gz	IQRNMDGMTROBKG-UHFFFAOYSA-N	0	1	332.381	2.571	40	30		EFEBMN
C[C@H](NCC#Cc1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1	ZINC000119025317	472520504	/nfs/dbraw/zinc/52/05/04/472520504.db2.gz	AKZICPBEGWQUCS-AWEZNQCLSA-N	0	1	346.427	2.900	40	30		EFEBMN
N#CC(C(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1)c1ccccn1	ZINC000078611945	472742118	/nfs/dbraw/zinc/74/21/18/472742118.db2.gz	KQXHUNCTFLAXCC-HOCLYGCPSA-N	0	1	325.412	2.829	40	30		EFEBMN
N#Cc1cccc(N[C@H]2CO[C@@]3(C2)CCCN(Cc2ccccn2)C3)n1	ZINC000107730725	472978381	/nfs/dbraw/zinc/97/83/81/472978381.db2.gz	LQDCYOSCNOXXFJ-UYAOXDASSA-N	0	1	349.438	2.584	40	30		EFEBMN
Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)CCCC#N)C3)[nH]c2c1	ZINC000096492644	473449737	/nfs/dbraw/zinc/44/97/37/473449737.db2.gz	GPRDSJSCYVMADD-CQSZACIVSA-N	0	1	346.456	2.684	40	30		EFEBMN
C=CCCS(=O)(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1	ZINC000096500827	473452716	/nfs/dbraw/zinc/45/27/16/473452716.db2.gz	CMCSXPJMQQVBJX-AWEZNQCLSA-N	0	1	333.457	2.957	40	30		EFEBMN
COc1ccc(C=NN=c2[nH]c3ccccc3n2C)cc1[N+](=O)[O-]	ZINC000408654991	476971407	/nfs/dbraw/zinc/97/14/07/476971407.db2.gz	KSKMITRXNWEQRH-LICLKQGHSA-N	0	1	325.328	2.936	40	30		EFEBMN
Cc1ccc(NC=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	ZINC000408742219	476971827	/nfs/dbraw/zinc/97/18/27/476971827.db2.gz	VHVSSZYOCNLUOM-BKQORJHRSA-N	0	1	337.404	2.761	40	30		EFEBMN
COCc1cc(C)nc(NN=Cc2cccc([N+](=O)[O-])c2)c1C#N	ZINC000408722700	476972148	/nfs/dbraw/zinc/97/21/48/476972148.db2.gz	WHIPKRITEZAOHJ-GIJQJNRQSA-N	0	1	325.328	2.762	40	30		EFEBMN
O=C1CSC(NN=Cc2ccccc2OCC2=CC[C@@H](F)C=C2)=N1	ZINC000003255918	527017136	/nfs/dbraw/zinc/01/71/36/527017136.db2.gz	QPJSRRDJNPDABQ-FRSZACSASA-N	0	1	345.399	2.843	40	30		EFEBMN
COc1cc(C(=O)[C@H](C=O)c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000104215460	219361728	/nfs/dbraw/zinc/36/17/28/219361728.db2.gz	VGYVPVHUEQVNBO-CYBMUJFWSA-N	0	1	329.308	2.777	40	30		EFEBMN
COc1cc(C(=O)C(C=O)c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000104215460	219361732	/nfs/dbraw/zinc/36/17/32/219361732.db2.gz	VGYVPVHUEQVNBO-CYBMUJFWSA-N	0	1	329.308	2.777	40	30		EFEBMN
C=CC[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1	ZINC000072340215	216158598	/nfs/dbraw/zinc/15/85/98/216158598.db2.gz	GMCXELCFTKXPRM-GJYPPUQNSA-N	0	1	331.387	2.867	40	30		EFEBMN
CC1(C)CC2=C(C(=O)C1)[C@H](c1ccc([N+](=O)[O-])cc1)C([N+](=O)[O-])O2	ZINC000100929283	276100877	/nfs/dbraw/zinc/10/08/77/276100877.db2.gz	UFKIGFOZDRJOGW-ZFWWWQNUSA-N	0	1	332.312	2.955	40	30		EFEBMN
CC1(C)CC2=C(C(=O)C1)[C@@H](c1ccc([N+](=O)[O-])cc1)C([N+](=O)[O-])O2	ZINC000100929282	278191435	/nfs/dbraw/zinc/19/14/35/278191435.db2.gz	UFKIGFOZDRJOGW-UKRRQHHQSA-N	0	1	332.312	2.955	40	30		EFEBMN
Cc1ccc(N2C(=O)C(=CNc3ccccc3)C(=O)NC2=S)cc1	ZINC000408765430	278817010	/nfs/dbraw/zinc/81/70/10/278817010.db2.gz	VWPLNISHVWXAID-VUQQOUJSSA-N	0	1	337.404	2.761	40	30		EFEBMN
C=CC[N@@H+]1C[C@@H]2CN(Cc3cccc(F)c3)CCC[C@]2(C(=O)[O-])C1	ZINC000096185192	473325634	/nfs/dbraw/zinc/32/56/34/473325634.db2.gz	AXVFKTCKUKEXIC-LPHOPBHVSA-N	0	1	332.419	2.610	40	30		EFEBMN
C=CC[N@H+]1C[C@@H]2CN(Cc3cccc(F)c3)CCC[C@]2(C(=O)[O-])C1	ZINC000096185192	473325642	/nfs/dbraw/zinc/32/56/42/473325642.db2.gz	AXVFKTCKUKEXIC-LPHOPBHVSA-N	0	1	332.419	2.610	40	30		EFEBMN
C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1ccc(C)cc1)C2	ZINC000096214807	473346235	/nfs/dbraw/zinc/34/62/35/473346235.db2.gz	VYXJQAAUXVZXLO-SFHVURJKSA-N	0	1	334.485	2.800	40	30		EFEBMN
COc1cccc([C@@H]2C(C#N)C(=O)Nc3nc4ccccc4n32)c1OC	ZINC000020637887	471992750	/nfs/dbraw/zinc/99/27/50/471992750.db2.gz	HQGXUJFOTLFFHT-BLLLJJGKSA-N	0	1	348.362	2.735	40	30		EFEBMN
C[C@@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccccc1Cl	ZINC000096437224	473416281	/nfs/dbraw/zinc/41/62/81/473416281.db2.gz	MULXTTMCIGGDTL-SJCJKPOMSA-N	0	1	343.814	2.795	40	30		EFEBMN
C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(O)c1	ZINC000194970184	473985748	/nfs/dbraw/zinc/98/57/48/473985748.db2.gz	NTFOIENJTKGJIR-LIRRHRJNSA-N	0	1	335.407	2.716	40	30		EFEBMN
N#CC1(c2ccccc2)CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1	ZINC000225514019	474221498	/nfs/dbraw/zinc/22/14/98/474221498.db2.gz	ZVHKBJPXUWANIO-OAHLLOKOSA-N	0	1	334.423	2.599	40	30		EFEBMN
CCN1CCN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)CC1	ZINC000225869887	474237802	/nfs/dbraw/zinc/23/78/02/474237802.db2.gz	HZMNOMWXEBZAMF-UHFFFAOYSA-N	0	1	343.862	2.786	40	30		EFEBMN
ON=Cc1cc(Br)cc(I)c1O	ZINC000254851751	474773323	/nfs/dbraw/zinc/77/33/23/474773323.db2.gz	QRCWMEMNMWXAIC-UHFFFAOYSA-N	0	1	341.930	2.567	40	30		EFEBMN
COc1ccc(C2=NO[C@H](CNC(=O)CN3CCC[C@@H]3C)C2)cc1F	ZINC000330032865	475187491	/nfs/dbraw/zinc/18/74/91/475187491.db2.gz	SMOPNJJEUASXKH-JSGCOSHPSA-N	0	1	349.406	2.768	40	30		EFEBMN
C=CCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C1=O	ZINC000409063560	476976362	/nfs/dbraw/zinc/97/63/62/476976362.db2.gz	CIBHLIDSDWQPML-IZZDOVSWSA-N	0	1	336.325	2.531	40	30		EFEBMN
C=C(C)CN1CCN(Cc2c[nH]nc2-c2cccc(OC)c2)CC1	ZINC000022913438	518603604	/nfs/dbraw/zinc/60/36/04/518603604.db2.gz	AWOOEXQSTMXIKX-UHFFFAOYSA-N	0	1	326.444	2.779	40	30		EFEBMN
O=C([O-])c1ccc(N[NH+]=Cc2ccc(N3CCOCC3)s2)cc1	ZINC000020925700	202057821	/nfs/dbraw/zinc/05/78/21/202057821.db2.gz	HLEFBRZBKCCZHC-GZTJUZNOSA-N	0	1	331.397	2.729	40	30		EFEBMN
C=CCNC(=O)[C@@]1(Cc2ccccc2-c2ccsc2)CNCCO1	ZINC000072389356	216189116	/nfs/dbraw/zinc/18/91/16/216189116.db2.gz	PEQVLTGYXYOSGZ-LJQANCHMSA-N	0	1	342.464	2.618	40	30		EFEBMN
Cc1nc2n(n1)C[C@@H]([NH+]=C([O-])NCc1csc3ccccc13)CC2	ZINC000328822495	241250324	/nfs/dbraw/zinc/25/03/24/241250324.db2.gz	QSVPIVNQRNZWNN-ZDUSSCGKSA-N	0	1	341.440	2.820	40	30		EFEBMN
Cc1nc2n(n1)C[C@@H](NC(=O)NCc1csc3ccccc13)CC2	ZINC000328822495	241250332	/nfs/dbraw/zinc/25/03/32/241250332.db2.gz	QSVPIVNQRNZWNN-ZDUSSCGKSA-N	0	1	341.440	2.820	40	30		EFEBMN
C=CCc1cc(CN2CCC(n3cncn3)CC2)cc(OC)c1O	ZINC000092647794	203085281	/nfs/dbraw/zinc/08/52/81/203085281.db2.gz	DVUDFTWZFKZFCJ-UHFFFAOYSA-N	0	1	328.416	2.558	40	30		EFEBMN
O=[N+]([O-])C(C[NH+]1CCCCC1)=N[N-]c1ccc(Br)cc1	ZINC000019201881	212004239	/nfs/dbraw/zinc/00/42/39/212004239.db2.gz	MAWLDLOXCJBFDW-SSZFMOIBSA-N	0	1	341.209	2.937	40	30		EFEBMN
C=C(C)CNC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1	ZINC000119065914	221235658	/nfs/dbraw/zinc/23/56/58/221235658.db2.gz	AJMQKFLERGCDKC-CQSZACIVSA-N	0	1	334.439	2.514	40	30		EFEBMN
C#CCN1CCC(C(=O)N2CCSC[C@@H]2c2ccc(C)cc2)CC1	ZINC000096407399	275381782	/nfs/dbraw/zinc/38/17/82/275381782.db2.gz	URSXLSMLXNNVNL-LJQANCHMSA-N	0	1	342.508	2.957	40	30		EFEBMN
C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2CCc1ccc(OC)c(OC)c1	ZINC000096042043	473263917	/nfs/dbraw/zinc/26/39/17/473263917.db2.gz	WDGSWCJDZIATIQ-XKGZKEIXSA-N	0	1	347.455	2.681	40	30		EFEBMN
N#Cc1cccc(N[C@@H]2CO[C@]3(C2)CCCN(Cc2ccoc2)C3)n1	ZINC000096048307	473272330	/nfs/dbraw/zinc/27/23/30/473272330.db2.gz	MLLXNQVDFDOQNK-HKUYNNGSSA-N	0	1	338.411	2.782	40	30		EFEBMN
CCc1n[nH]c(=S)n1N=Cc1cc(Br)ccc1O	ZINC000005557198	471510912	/nfs/dbraw/zinc/51/09/12/471510912.db2.gz	QDOWBSVWXPNDII-AWNIVKPZSA-N	0	1	327.207	2.853	40	30		EFEBMN
COc1cc(C=NNc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1O	ZINC000012530166	471777774	/nfs/dbraw/zinc/77/77/74/471777774.db2.gz	DECCNHGAQNNPIJ-LZYBPNLTSA-N	0	1	327.300	2.631	40	30		EFEBMN
C/C(=N/N=C1\NC(=O)C(C)S1)c1ccc(Br)cc1	ZINC000013547945	471832792	/nfs/dbraw/zinc/83/27/92/471832792.db2.gz	CSPBWNLDCZECRE-IIVQSHCLSA-N	0	1	326.219	2.781	40	30		EFEBMN
C/C(=N/N=C1\NC(=O)C(C)S1)c1ccc(Br)cc1	ZINC000013547946	471832002	/nfs/dbraw/zinc/83/20/02/471832002.db2.gz	CSPBWNLDCZECRE-YCAXJWCXSA-N	0	1	326.219	2.781	40	30		EFEBMN
Cc1ccc(-n2nnnc2[C@@H](C#N)C(=O)c2cc(F)cc(F)c2)cc1	ZINC000016311417	471931241	/nfs/dbraw/zinc/93/12/41/471931241.db2.gz	KKAWFSJNWXRDBN-HNNXBMFYSA-N	0	1	339.305	2.739	40	30		EFEBMN
Cc1ccc(-n2nnnc2C(C#N)C(=O)c2cc(F)cc(F)c2)cc1	ZINC000016311417	471931246	/nfs/dbraw/zinc/93/12/46/471931246.db2.gz	KKAWFSJNWXRDBN-HNNXBMFYSA-N	0	1	339.305	2.739	40	30		EFEBMN
COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(O)c(O)c2)cc1	ZINC000054360512	472080341	/nfs/dbraw/zinc/08/03/41/472080341.db2.gz	NHUXMEHLAZKHRC-MFOYZWKCSA-N	0	1	342.380	2.910	40	30		EFEBMN
Cc1nc(C)c(C(=O)NCC#CCN(C)Cc2ccccc2)s1	ZINC000085470621	472252451	/nfs/dbraw/zinc/25/24/51/472252451.db2.gz	LOMHRPFFWOSILO-UHFFFAOYSA-N	0	1	327.453	2.625	40	30		EFEBMN
C=CCN(C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1	ZINC000119066649	472523856	/nfs/dbraw/zinc/52/38/56/472523856.db2.gz	QNTLFBHVRBDAFA-HNNXBMFYSA-N	0	1	348.466	2.856	40	30		EFEBMN
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN(C)[C@@H]1CCSC1	ZINC000089937377	472553686	/nfs/dbraw/zinc/55/36/86/472553686.db2.gz	DNLOHQOWSIMNNO-QGZVFWFLSA-N	0	1	331.485	2.733	40	30		EFEBMN
C(=NN=c1nc(N2CCCC2)[nH]c(N2CCCC2)n1)c1ccsc1	ZINC000059514390	472626446	/nfs/dbraw/zinc/62/64/46/472626446.db2.gz	VBPROGWTCZIIEY-GZTJUZNOSA-N	0	1	343.460	2.580	40	30		EFEBMN
N#CC(C(=O)c1cnn(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1	ZINC000121529510	472867391	/nfs/dbraw/zinc/86/73/91/472867391.db2.gz	PGDKHLMVGNWWLZ-ZDUSSCGKSA-N	0	1	346.325	2.773	40	30		EFEBMN
C#CCN1CCC(C(=O)N2c3ccccc3N(C)CC[C@@H]2C)CC1	ZINC000096425354	473404139	/nfs/dbraw/zinc/40/41/39/473404139.db2.gz	UBFKFUMITCTDBO-INIZCTEOSA-N	0	1	325.456	2.593	40	30		EFEBMN
O=C1C(=N[N-]c2cccc[nH+]2)c2cc(F)cc(F)c2N1C1CSC1	ZINC000223750337	474189693	/nfs/dbraw/zinc/18/96/93/474189693.db2.gz	DTQTUFSBBQCHKW-STZFKDTASA-N	0	1	346.362	2.638	40	30		EFEBMN
CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(C#N)oc2C)[nH]1	ZINC000253432487	474758058	/nfs/dbraw/zinc/75/80/58/474758058.db2.gz	KPULEEPFDUAFNT-UHFFFAOYSA-N	0	1	344.371	2.954	40	30		EFEBMN
Cn1nnc2cc(C(=O)NCCN3CC=C(C(C)(C)C)CC3)ccc21	ZINC000330039149	475189407	/nfs/dbraw/zinc/18/94/07/475189407.db2.gz	AVRZWLCYJNCQKK-UHFFFAOYSA-N	0	1	341.459	2.951	40	30		EFEBMN
O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNc1ccc(F)cc1	ZINC000408742021	476971996	/nfs/dbraw/zinc/97/19/96/476971996.db2.gz	UIHHMOCZUFXVPD-LEBHLANCSA-N	0	1	341.367	2.592	40	30		EFEBMN
Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1sc(C)c(C)c1C#N	ZINC000408820326	476973818	/nfs/dbraw/zinc/97/38/18/476973818.db2.gz	WUUUTNVNHQDKNW-NSIKDUERSA-N	0	1	340.408	2.824	40	30		EFEBMN
Cn1c2ccc(C=NN=c3[nH]c4ccccc4s3)cc2n(C)c1=O	ZINC000409085883	476978948	/nfs/dbraw/zinc/97/89/48/476978948.db2.gz	TVOHOSVRFPVOKV-VCHYOVAHSA-N	0	1	337.408	2.933	40	30		EFEBMN
Cn1c2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2n(C)c1=O	ZINC000409085883	476978960	/nfs/dbraw/zinc/97/89/60/476978960.db2.gz	TVOHOSVRFPVOKV-VCHYOVAHSA-N	0	1	337.408	2.933	40	30		EFEBMN
Cc1cc(C)n(-c2cc(NN=Cc3ccc([N+](=O)[O-])cc3)ncn2)n1	ZINC000004713131	210255997	/nfs/dbraw/zinc/25/59/97/210255997.db2.gz	JJBVZIMTDDSOIA-DJKKODMXSA-N	0	1	337.343	2.633	40	30		EFEBMN
O=C(Cc1nc2cc(Cl)cc([N+](=O)[O-])c2[nH]c1=O)c1cccnc1	ZINC000104238021	219364604	/nfs/dbraw/zinc/36/46/04/219364604.db2.gz	BBXUIVWFZIORHS-WDZFZDKYSA-N	0	1	344.714	2.774	40	30		EFEBMN
C=CCNC(=O)CN1CCC(Cn2cnc3cc(C)c(C)cc32)CC1	ZINC000038488547	213210342	/nfs/dbraw/zinc/21/03/42/213210342.db2.gz	GLRFSTYPTJIFDY-UHFFFAOYSA-N	0	1	340.471	2.667	40	30		EFEBMN
C=C(C)CN1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1	ZINC000022916151	212335044	/nfs/dbraw/zinc/33/50/44/212335044.db2.gz	OKQZYWWMEYDHSB-UHFFFAOYSA-N	0	1	338.455	2.846	40	30		EFEBMN
Cc1cccc(NC=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c1	ZINC000408742322	242557850	/nfs/dbraw/zinc/55/78/50/242557850.db2.gz	WAPZEDWUKTYXLM-BKQORJHRSA-N	0	1	337.404	2.761	40	30		EFEBMN
N#Cc1ccccc1Cn1cc(/C=C2/NC(=O)NC2=O)c2ccccc21	ZINC000015225934	211808817	/nfs/dbraw/zinc/80/88/17/211808817.db2.gz	KRZNLSOMXDOOQB-RQZCQDPDSA-N	0	1	342.358	2.742	40	30		EFEBMN
COc1cc(C=Nn2c(=S)[nH]nc2C(C)C)cc(OC)c1OC	ZINC000006240261	210605402	/nfs/dbraw/zinc/60/54/02/210605402.db2.gz	VHJGMNDCTKAXNO-LZYBPNLTSA-N	0	1	336.417	2.972	40	30		EFEBMN
N#C[C@H](C(=O)C=Cc1ccco1)C(=O)N(CC(F)(F)F)C1CC1	ZINC000102758111	472591421	/nfs/dbraw/zinc/59/14/21/472591421.db2.gz	GLCUYEZOOZXRGA-BTDICHCPSA-N	0	1	326.274	2.555	40	30		EFEBMN
CSc1ncccc1C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1	ZINC000006610294	471555202	/nfs/dbraw/zinc/55/52/02/471555202.db2.gz	UTQGDLIOPVDOIA-NSHDSACASA-N	0	1	347.421	2.602	40	30		EFEBMN
CSc1ncccc1C(=O)OCC(=O)C(C#N)c1nc(C)cs1	ZINC000006610294	471555208	/nfs/dbraw/zinc/55/52/08/471555208.db2.gz	UTQGDLIOPVDOIA-NSHDSACASA-N	0	1	347.421	2.602	40	30		EFEBMN
O/N=C1\CCC=CCC[C@@H]1N1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000018167553	471971690	/nfs/dbraw/zinc/97/16/90/471971690.db2.gz	JTABKOZBAZMABZ-PBDWWKMTSA-N	0	1	343.427	2.866	40	30		EFEBMN
O=[N+]([O-])c1ccccc1C=NNc1nc2ccccc2n2cnnc12	ZINC000033334735	471984761	/nfs/dbraw/zinc/98/47/61/471984761.db2.gz	GGPXYKYCGRHQFA-MFOYZWKCSA-N	0	1	333.311	2.632	40	30		EFEBMN
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1C[C@H](O)c1ccccc1	ZINC000076108326	472274700	/nfs/dbraw/zinc/27/47/00/472274700.db2.gz	ONXQAFOXRPXIEX-HBFSDRIKSA-N	0	1	343.471	2.629	40	30		EFEBMN
O=S1(=O)C[C@@H](N2CCCCC2)C2=C(O1)c1ccccc1SC2	ZINC000031750899	472392128	/nfs/dbraw/zinc/39/21/28/472392128.db2.gz	WNHLTMYNRXPXAT-CQSZACIVSA-N	0	1	337.466	2.718	40	30		EFEBMN
C=CCOC[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccc3c(c2)OCO3)O1	ZINC000107204911	472933265	/nfs/dbraw/zinc/93/32/65/472933265.db2.gz	CWPIIGISBJXSNG-ULQDDVLXSA-N	0	1	331.412	2.740	40	30		EFEBMN
O=C(COC[C@H]1CCCO1)Nc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000095349720	473189273	/nfs/dbraw/zinc/18/92/73/473189273.db2.gz	GOGGJKBCHBNYAI-GFCCVEGCSA-N	0	1	336.779	2.909	40	30		EFEBMN
CCCNC(=O)c1cccc(C(=O)C(C#N)c2nc(C)cc(C)n2)c1	ZINC000096422129	473400251	/nfs/dbraw/zinc/40/02/51/473400251.db2.gz	AENIRRWKCMQXOQ-INIZCTEOSA-N	0	1	336.395	2.723	40	30		EFEBMN
C=CCCS(=O)(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1	ZINC000096500826	473452835	/nfs/dbraw/zinc/45/28/35/473452835.db2.gz	CMCSXPJMQQVBJX-CQSZACIVSA-N	0	1	333.457	2.957	40	30		EFEBMN
Cc1cc(N2CCOCC2)ccc1CN=Nc1ccc([N+](=O)[O-])cn1	ZINC000409068108	476977365	/nfs/dbraw/zinc/97/73/65/476977365.db2.gz	HIBUBZXARVJTND-YBFXNURJSA-N	0	1	341.371	2.581	40	30		EFEBMN
CC(=NNc1cc(-n2cc(C)cn2)ncn1)c1cccc([N+](=O)[O-])c1	ZINC000004595725	210229267	/nfs/dbraw/zinc/22/92/67/210229267.db2.gz	FXFPEPHDYIQZIK-UDWIEESQSA-N	0	1	337.343	2.715	40	30		EFEBMN
O=C(Cc1nc2cc(Cl)cc([N+](=O)[O-])c2[nH]c1=O)c1ccncc1	ZINC000104238015	219364517	/nfs/dbraw/zinc/36/45/17/219364517.db2.gz	FPHRSDMDGVWWRI-YRNVUSSQSA-N	0	1	344.714	2.774	40	30		EFEBMN
O=C(Cc1nc2cc(Cl)cc([N+](=O)[O-])c2[nH]c1=O)c1cccnc1	ZINC000104238026	219364804	/nfs/dbraw/zinc/36/48/04/219364804.db2.gz	BBXUIVWFZIORHS-IZZDOVSWSA-N	0	1	344.714	2.774	40	30		EFEBMN
Cc1cccc2c1ncc(C#N)c2NC[C@H](c1cnn(C)c1)N(C)C	ZINC000078290462	217038584	/nfs/dbraw/zinc/03/85/84/217038584.db2.gz	JKQRBOJRRUEXJE-QGZVFWFLSA-N	0	1	334.427	2.863	40	30		EFEBMN
O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNc1ccccc1F	ZINC000408740684	284866094	/nfs/dbraw/zinc/86/60/94/284866094.db2.gz	LSOUKFOKWGQNAG-NJDFMEINSA-N	0	1	341.367	2.592	40	30		EFEBMN
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([O-])cc1F	ZINC000097232809	219001469	/nfs/dbraw/zinc/00/14/69/219001469.db2.gz	BAFJKDGRJFXNSF-UHFFFAOYSA-N	0	1	341.386	2.607	40	30		EFEBMN
CCOC(=O)COc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1	ZINC000408998524	257883385	/nfs/dbraw/zinc/88/33/85/257883385.db2.gz	RAKNGSHBCKHWFX-YBFXNURJSA-N	0	1	338.367	2.951	40	30		EFEBMN
Cc1ccc(N2C(=O)C(=CNC3CCCCC3)C(=O)NC2=S)cc1	ZINC000408759835	292128276	/nfs/dbraw/zinc/12/82/76/292128276.db2.gz	MMYVEKHYICNXCR-SKCQWOFPSA-N	0	1	343.452	2.762	40	30		EFEBMN
CC1(C)CC2=C(C(=O)C1)[C@H](c1cccc([N+](=O)[O-])c1)C([N+](=O)[O-])O2	ZINC000100929293	278191372	/nfs/dbraw/zinc/19/13/72/278191372.db2.gz	UQHRGGVWXVAUMF-DZGCQCFKSA-N	0	1	332.312	2.955	40	30		EFEBMN
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CN	ZINC000006067495	280177400	/nfs/dbraw/zinc/17/74/00/280177400.db2.gz	RXFLLQMQEWZRSO-OBQKJFGGSA-N	0	1	345.483	2.777	40	30		EFEBMN
Cc1cc(Br)cc2c1N(C)C(=O)C2=N[N-]c1cccc[nH+]1	ZINC000101004994	280308688	/nfs/dbraw/zinc/30/86/88/280308688.db2.gz	QDOHBQJBCMYWGF-CPNJWEJPSA-N	0	1	345.200	2.945	40	30		EFEBMN
N#Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCCN(Cc2cccnc2)C3)n1	ZINC000096048317	473270624	/nfs/dbraw/zinc/27/06/24/473270624.db2.gz	WXLMDHRJKZPTAJ-AZUAARDMSA-N	0	1	349.438	2.584	40	30		EFEBMN
N#Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCCN(Cc2ccccn2)C3)n1	ZINC000096048315	473272425	/nfs/dbraw/zinc/27/24/25/473272425.db2.gz	LQDCYOSCNOXXFJ-AZUAARDMSA-N	0	1	349.438	2.584	40	30		EFEBMN
C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cccnc1OC)C2	ZINC000096065026	473287772	/nfs/dbraw/zinc/28/77/72/473287772.db2.gz	PBGGRZCRGTXFQM-IEBWSBKVSA-N	0	1	332.444	2.664	40	30		EFEBMN
N#Cc1cccc(N[C@H]2CO[C@@]3(C2)CCCN(Cc2ccco2)C3)n1	ZINC000096223048	473356361	/nfs/dbraw/zinc/35/63/61/473356361.db2.gz	ZBVLANSVYBABPF-VQIMIIECSA-N	0	1	338.411	2.782	40	30		EFEBMN
N#Cc1cc(NN=Cc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1C#N	ZINC000006220909	471535134	/nfs/dbraw/zinc/53/51/34/471535134.db2.gz	FQPOFPATMSUJOI-GIJQJNRQSA-N	0	1	336.267	2.692	40	30		EFEBMN
O=S1(=O)C[C@H](N2CCCCC2)C2=C(O1)c1ccccc1SC2	ZINC000031750903	472392465	/nfs/dbraw/zinc/39/24/65/472392465.db2.gz	WNHLTMYNRXPXAT-AWEZNQCLSA-N	0	1	337.466	2.718	40	30		EFEBMN
C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)Cc1cc(C)[nH]n1	ZINC000161069332	473203718	/nfs/dbraw/zinc/20/37/18/473203718.db2.gz	WTCBBNHCMYAACB-NSHDSACASA-N	0	1	330.363	2.622	40	30		EFEBMN
N#Cc1cc(N2CCC[C@@H](CN3CCOCC3)C2)nc2ccccc12	ZINC000096429498	473408245	/nfs/dbraw/zinc/40/82/45/473408245.db2.gz	WXMSMLQIEUFKNX-INIZCTEOSA-N	0	1	336.439	2.655	40	30		EFEBMN
C[C@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccccc1Cl	ZINC000096437225	473416105	/nfs/dbraw/zinc/41/61/05/473416105.db2.gz	MULXTTMCIGGDTL-PXAZEXFGSA-N	0	1	343.814	2.795	40	30		EFEBMN
C[C@@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccccc1Cl	ZINC000096437226	473416184	/nfs/dbraw/zinc/41/61/84/473416184.db2.gz	MULXTTMCIGGDTL-YVEFUNNKSA-N	0	1	343.814	2.795	40	30		EFEBMN
C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cncc(F)c1	ZINC000096500305	473451672	/nfs/dbraw/zinc/45/16/72/473451672.db2.gz	AOQLAMMWIONZOD-SCLBCKFNSA-N	0	1	338.386	2.939	40	30		EFEBMN
N#CCCN1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000096496459	473452031	/nfs/dbraw/zinc/45/20/31/473452031.db2.gz	CXVYSMMJYPDHQA-KBPBESRZSA-N	0	1	343.324	2.576	40	30		EFEBMN
C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cncc(F)c1	ZINC000096500307	473452119	/nfs/dbraw/zinc/45/21/19/473452119.db2.gz	AOQLAMMWIONZOD-UGSOOPFHSA-N	0	1	338.386	2.939	40	30		EFEBMN
C=CCc1cc(/C=N/O)cc(OC)c1OS(=O)(=O)c1ccccc1	ZINC000409076175	476976560	/nfs/dbraw/zinc/97/65/60/476976560.db2.gz	ZBMAMTVSTWGTIO-LDADJPATSA-N	0	1	347.392	3.000	40	30		EFEBMN
O=C1C=C(NNc2ccc(I)cc2)CCC1	ZINC000255188698	526960834	/nfs/dbraw/zinc/96/08/34/526960834.db2.gz	KYUUIAHHKQQDOV-UHFFFAOYSA-N	0	1	328.153	2.845	40	30		EFEBMN
O=C(Cc1nc2cc(Cl)cc([N+](=O)[O-])c2[nH]c1=O)c1ccncc1	ZINC000104238012	219364378	/nfs/dbraw/zinc/36/43/78/219364378.db2.gz	FPHRSDMDGVWWRI-XFFZJAGNSA-N	0	1	344.714	2.774	40	30		EFEBMN
N#Cc1cc(N2CCC[C@H](CN3CCOCC3)C2)nc2ccccc12	ZINC000096429497	283103490	/nfs/dbraw/zinc/10/34/90/283103490.db2.gz	WXMSMLQIEUFKNX-MRXNPFEDSA-N	0	1	336.439	2.655	40	30		EFEBMN
O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNc1ccccc1F	ZINC000408740681	284866581	/nfs/dbraw/zinc/86/65/81/284866581.db2.gz	LSOUKFOKWGQNAG-AINDZBIGSA-N	0	1	341.367	2.592	40	30		EFEBMN
COc1ccccc1/C=N\N=C1\NC(=O)C(Cc2ccccc2)S1	ZINC000004866428	210306731	/nfs/dbraw/zinc/30/67/31/210306731.db2.gz	KDMKCGBLJQDSSF-JJBLJPBOSA-N	0	1	339.420	2.859	40	30		EFEBMN
N#Cc1cc(NC2CCN(Cc3ccccn3)CC2)ccc1[N+](=O)[O-]	ZINC000165798087	226136415	/nfs/dbraw/zinc/13/64/15/226136415.db2.gz	GZAJIAWDQMNFLX-UHFFFAOYSA-N	0	1	337.383	2.938	40	30		EFEBMN
C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2CCc1ccc(OC)c(OC)c1	ZINC000096041532	473262376	/nfs/dbraw/zinc/26/23/76/473262376.db2.gz	WDGSWCJDZIATIQ-ILZDJORESA-N	0	1	347.455	2.681	40	30		EFEBMN
C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1cccc(C)c1)C2	ZINC000096214811	473347710	/nfs/dbraw/zinc/34/77/10/473347710.db2.gz	JNZNABUTOWVPJH-SFHVURJKSA-N	0	1	334.485	2.800	40	30		EFEBMN
N#Cc1cccc(N[C@H]2CO[C@]3(C2)CCCN(Cc2ccco2)C3)n1	ZINC000096223053	473355166	/nfs/dbraw/zinc/35/51/66/473355166.db2.gz	ZBVLANSVYBABPF-APWZRJJASA-N	0	1	338.411	2.782	40	30		EFEBMN
N#Cc1cccc(N2C[C@@]3(CCN(Cc4ccccn4)C3)CC2=O)c1	ZINC000096238881	473360528	/nfs/dbraw/zinc/36/05/28/473360528.db2.gz	FONGJRHRZOMIBM-FQEVSTJZSA-N	0	1	332.407	2.582	40	30		EFEBMN
Cc1nc(SCC(N)=O)c(C#N)c(C)c1CC(=O)c1ccccc1	ZINC000000061360	471318495	/nfs/dbraw/zinc/31/84/95/471318495.db2.gz	PJSIYMAVNOLRRG-UHFFFAOYSA-N	0	1	339.420	2.573	40	30		EFEBMN
CCc1ccc(S(=O)(=O)/N=C2/SC(CC)C(=O)N2CC)cc1	ZINC000004538087	471468697	/nfs/dbraw/zinc/46/86/97/471468697.db2.gz	OLNCYIONCJUWAT-UWZWCOGJSA-N	0	1	340.470	2.668	40	30		EFEBMN
Cc1cc(=O)[nH]c(N=NC=C(Br)Cc2ccccc2)n1	ZINC000005212311	471492873	/nfs/dbraw/zinc/49/28/73/471492873.db2.gz	OHJACOAECIFSPB-OOBCCFMBSA-N	0	1	333.189	2.912	40	30		EFEBMN
N#CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000110710628	473172022	/nfs/dbraw/zinc/17/20/22/473172022.db2.gz	CXVYSMMJYPDHQA-ZIAGYGMSSA-N	0	1	343.324	2.576	40	30		EFEBMN
C#CCN1CCC(C(=O)N2c3ccccc3N(C)CC[C@H]2C)CC1	ZINC000096425353	473403972	/nfs/dbraw/zinc/40/39/72/473403972.db2.gz	UBFKFUMITCTDBO-MRXNPFEDSA-N	0	1	325.456	2.593	40	30		EFEBMN
CN1CCN(c2c(N)cc(C#N)n2Cc2cccc3ccccc32)CC1	ZINC000225869407	474238424	/nfs/dbraw/zinc/23/84/24/474238424.db2.gz	HERLELFBVDCQCB-UHFFFAOYSA-N	0	1	345.450	2.895	40	30		EFEBMN
C=CCN(C)C(=O)N[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1	ZINC000249279556	474550906	/nfs/dbraw/zinc/55/09/06/474550906.db2.gz	OKUCZINNYBZCPM-ROUUACIJSA-N	0	1	329.444	2.800	40	30		EFEBMN
C=CCN1C(=O)NC(=O)/C(=C/c2ccccc2O[C@@H](C)CC)C1=O	ZINC000408602436	476969763	/nfs/dbraw/zinc/96/97/63/476969763.db2.gz	NSEHPEZBGBMPOT-PBBNAPBQSA-N	0	1	328.368	2.512	40	30		EFEBMN
C#CCOc1ccc([N+](=O)[O-])cc1C=NNc1nc2ccccc2[nH]1	ZINC000409181342	476980322	/nfs/dbraw/zinc/98/03/22/476980322.db2.gz	BMTUIPPLPQDNHC-WOJGMQOQSA-N	0	1	335.323	2.929	40	30		EFEBMN
CCNC(=S)N/N=C/c1cc(Cl)cc(Br)c1O	ZINC000409373084	476982922	/nfs/dbraw/zinc/98/29/22/476982922.db2.gz	QSIMGAIBHQUHJS-LHHJGKSTSA-N	0	1	336.642	2.626	40	30		EFEBMN
N#CC(C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1)c1ccccn1	ZINC000078611939	526507477	/nfs/dbraw/zinc/50/74/77/526507477.db2.gz	KQXHUNCTFLAXCC-ZBFHGGJFSA-N	0	1	325.412	2.829	40	30		EFEBMN
O=[N+]([O-])c1ccccc1N=NCCN=Nc1ccccc1[N+](=O)[O-]	ZINC000016450238	527403301	/nfs/dbraw/zinc/40/33/01/527403301.db2.gz	WOCPPMMIJVAUNC-CKOAPEAFSA-N	0	1	328.288	2.999	40	30		EFEBMN
CC1=C(C#N)C(=O)N(CCO)C(=O)C1=NNc1cccc(Cl)c1	ZINC000108423568	1416821894	/nfs/dbraw/zinc/82/18/94/1416821894.db2.gz	JBCJWTKXQRDTFE-VHEBQXMUSA-N	0	1	332.747	2.795	40	30		EFEBMN