smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](C#N)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1	ZINC000004285995	210161965	/nfs/dbraw/zinc/16/19/65/210161965.db2.gz	ZUDSIMSPVXUWNX-GFCCVEGCSA-N	0	0	340.839	4.592	20	30		EJEDRN
N#Cc1ccc(OCc2coc(-c3ccc(F)cc3)n2)c(Cl)c1	ZINC000025581518	202133536	/nfs/dbraw/zinc/13/35/36/202133536.db2.gz	POWUEJVJVVPURA-UHFFFAOYSA-N	0	0	328.730	4.585	20	30		EJEDRN
C=CCn1c(S[C@H](C)c2ccccc2)nnc1-c1ccoc1C	ZINC000072098949	216008297	/nfs/dbraw/zinc/00/82/97/216008297.db2.gz	ALVNXCVJQHTZAI-CQSZACIVSA-N	0	0	325.437	4.886	20	30		EJEDRN
C=CCn1c(C)nnc1SCc1ccccc1Oc1ccccc1	ZINC000072098911	216008318	/nfs/dbraw/zinc/00/83/18/216008318.db2.gz	DQKHHMCZZAFWGB-UHFFFAOYSA-N	0	0	337.448	4.857	20	30		EJEDRN
C[C@@H](Nc1cccc(F)c1C#N)c1ccc(Br)s1	ZINC000038002364	202384605	/nfs/dbraw/zinc/38/46/05/202384605.db2.gz	WRIICTGZKMVYOR-MRVPVSSYSA-N	0	0	325.206	4.694	20	30		EJEDRN
C[C@H](Sc1ccc2ccccc2c1)C(=O)Nc1cccc(C#N)c1	ZINC000004886534	201360564	/nfs/dbraw/zinc/36/05/64/201360564.db2.gz	UUXOOLNETIGNEB-AWEZNQCLSA-N	0	0	332.428	4.831	20	30		EJEDRN
Cc1cc(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2ccccc12	ZINC000021459301	212224549	/nfs/dbraw/zinc/22/45/49/212224549.db2.gz	PFOLHQMBULDSQA-CQSZACIVSA-N	0	0	347.443	4.534	20	30		EJEDRN
CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1ccc(C#N)cc1	ZINC000071845009	203126945	/nfs/dbraw/zinc/12/69/45/203126945.db2.gz	PXHWLDYJOAAGGL-OAHLLOKOSA-N	0	0	348.446	4.890	20	30		EJEDRN
Cc1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1	ZINC000020159006	212107339	/nfs/dbraw/zinc/10/73/39/212107339.db2.gz	KGKUDLJZTJPFQG-CQSZACIVSA-N	0	0	338.476	4.624	20	30		EJEDRN
N#Cc1cccnc1Oc1ccc2cc(Br)ccc2c1	ZINC000019429738	212027029	/nfs/dbraw/zinc/02/70/29/212027029.db2.gz	UXHAAYDPQNJSNM-UHFFFAOYSA-N	0	0	325.165	4.661	20	30		EJEDRN
N#Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1Cl	ZINC000015540283	211829117	/nfs/dbraw/zinc/82/91/17/211829117.db2.gz	ZJXQCYWVFDYINI-UHFFFAOYSA-N	0	0	325.582	4.771	20	30		EJEDRN
N#C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2[nH]1	ZINC000013042938	211516809	/nfs/dbraw/zinc/51/68/09/211516809.db2.gz	UBBIRGIAWFRUQK-SFHVURJKSA-N	0	0	337.382	4.720	20	30		EJEDRN
C=CCn1c(S[C@H]2CCCc3ccccc32)nnc1-c1ccncc1	ZINC000097363087	219015509	/nfs/dbraw/zinc/01/55/09/219015509.db2.gz	VZQLSDYDFGYREC-SFHVURJKSA-N	0	0	348.475	4.696	20	30		EJEDRN
N#CCCN(C1CCCC1)C(F)(F)c1ccc(Cl)c(Cl)n1	ZINC001165016661	721835573	/nfs/dbraw/zinc/83/55/73/721835573.db2.gz	FWFSIKAMGIKDTG-UHFFFAOYSA-N	0	0	334.197	4.596	20	30		EJEDRN
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000098072273	219078508	/nfs/dbraw/zinc/07/85/08/219078508.db2.gz	FURDLWOQBKBAHO-UHFFFAOYSA-N	0	0	338.194	4.534	20	30		EJEDRN
C[C@H](Nc1cccc(F)c1C#N)c1ccc(Br)s1	ZINC000038002363	213187749	/nfs/dbraw/zinc/18/77/49/213187749.db2.gz	WRIICTGZKMVYOR-QMMMGPOBSA-N	0	0	325.206	4.694	20	30		EJEDRN
N#Cc1ccc(C(=O)Nc2ccccc2N2CCc3ccccc32)cc1	ZINC000031532152	202206297	/nfs/dbraw/zinc/20/62/97/202206297.db2.gz	VKEMTMCAGDKTKR-UHFFFAOYSA-N	0	0	339.398	4.505	20	30		EJEDRN
C=CCn1c(=O)c2ccsc2nc1SCc1cccc(Cl)c1	ZINC000036661786	213108539	/nfs/dbraw/zinc/10/85/39/213108539.db2.gz	WSUNRRCFQXEHRB-UHFFFAOYSA-N	0	0	348.880	4.590	20	30		EJEDRN
COc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc1OC	ZINC000033921598	212970312	/nfs/dbraw/zinc/97/03/12/212970312.db2.gz	ROEWVZKDIRTGTM-DAXSKMNVSA-N	0	0	337.202	4.907	20	30		EJEDRN
N#Cc1ccc(Cl)cc1NCc1ccc(Br)s1	ZINC000036954368	213127492	/nfs/dbraw/zinc/12/74/92/213127492.db2.gz	VUBZSYFCYBOVPF-UHFFFAOYSA-N	0	0	327.634	4.648	20	30		EJEDRN
N#Cc1ccc(Oc2nc(C(F)F)nc3ccccc32)c(Cl)c1	ZINC000078524832	201188244	/nfs/dbraw/zinc/18/82/44/201188244.db2.gz	YQYKRLUQXLAYCB-UHFFFAOYSA-N	0	0	331.709	4.885	20	30		EJEDRN
C[C@H](Sc1ccccc1Cl)C(=O)N(CCC#N)c1ccccc1	ZINC000022615200	212311373	/nfs/dbraw/zinc/31/13/73/212311373.db2.gz	FTIKPQUKTLPMRV-AWEZNQCLSA-N	0	0	344.867	4.767	20	30		EJEDRN
Cc1cc(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2ccccc12	ZINC000021459302	212224723	/nfs/dbraw/zinc/22/47/23/212224723.db2.gz	PFOLHQMBULDSQA-AWEZNQCLSA-N	0	0	347.443	4.534	20	30		EJEDRN
N#Cc1cc(NC(=O)CCc2ccc(Cl)c(Cl)c2)ccc1F	ZINC000078478481	217058825	/nfs/dbraw/zinc/05/88/25/217058825.db2.gz	OUORBAFTCMKWJB-UHFFFAOYSA-N	0	0	337.181	4.575	20	30		EJEDRN
C=CCn1c(C)nnc1S[C@@H](C)c1ccc(C(F)(F)F)cc1	ZINC000078480795	217060342	/nfs/dbraw/zinc/06/03/42/217060342.db2.gz	IABRYSHSMNGUOQ-JTQLQIEISA-N	0	0	327.375	4.645	20	30		EJEDRN
COc1cc(CN(C)c2ccc(C#N)c(Cl)c2)ccc1SC	ZINC000078613981	217087328	/nfs/dbraw/zinc/08/73/28/217087328.db2.gz	VPAGLKAWVKZADJ-UHFFFAOYSA-N	0	0	332.856	4.579	20	30		EJEDRN
C=CCN(CC1CCCCC1)C(=O)c1ccc(OCC)c(OCC)c1	ZINC000078651790	217095627	/nfs/dbraw/zinc/09/56/27/217095627.db2.gz	AFCCMMGQSWNWHL-UHFFFAOYSA-N	0	0	345.483	4.693	20	30		EJEDRN
Cc1cccc(C(C)C)c1NC(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000014739536	211759451	/nfs/dbraw/zinc/75/94/51/211759451.db2.gz	QVQUFCFYHYGDDF-FMIVXFBMSA-N	0	0	334.419	4.673	20	30		EJEDRN
C=CCn1c(SCc2ccccc2C(F)(F)F)nnc1C1CC1	ZINC000004345295	210176569	/nfs/dbraw/zinc/17/65/69/210176569.db2.gz	YQBASJOYSVZFDB-UHFFFAOYSA-N	0	0	339.386	4.653	20	30		EJEDRN
C[C@H](C#N)Sc1nnc(Nc2ccc(SC(F)F)cc2)s1	ZINC000036796591	213119069	/nfs/dbraw/zinc/11/90/69/213119069.db2.gz	HHDRMNAQLLHASW-SSDOTTSWSA-N	0	0	344.437	4.601	20	30		EJEDRN
N#Cc1cc(NCc2ccc(Br)cc2F)ccc1Cl	ZINC000035053524	213006868	/nfs/dbraw/zinc/00/68/68/213006868.db2.gz	LTMVMJJPCHBVPQ-UHFFFAOYSA-N	0	0	339.595	4.725	20	30		EJEDRN
N#Cc1c(F)cccc1Sc1nnc(-c2cccs2)n1C1CC1	ZINC000072073006	216002922	/nfs/dbraw/zinc/00/29/22/216002922.db2.gz	DNICWBGEWUHMOV-UHFFFAOYSA-N	0	0	342.424	4.503	20	30		EJEDRN
O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(F)c(F)c(F)c1	ZINC000078480316	202395936	/nfs/dbraw/zinc/39/59/36/202395936.db2.gz	LTILNRZTSNPYTD-UHFFFAOYSA-N	0	0	337.194	4.514	20	30		EJEDRN
N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000072592384	216279896	/nfs/dbraw/zinc/27/98/96/216279896.db2.gz	FEIXOXPGBIVUKQ-UHFFFAOYSA-N	0	0	338.194	4.534	20	30		EJEDRN
Cc1cc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nc2ccccc12	ZINC000023561128	212383169	/nfs/dbraw/zinc/38/31/69/212383169.db2.gz	MZTFKVPNWRJQDB-CQSZACIVSA-N	0	0	347.443	4.534	20	30		EJEDRN
Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000023258855	212365336	/nfs/dbraw/zinc/36/53/36/212365336.db2.gz	XZYHGNWCRJQDIL-UHFFFAOYSA-N	0	0	328.730	4.658	20	30		EJEDRN
COc1ccc2cc([C@H](C)C(=O)Nc3ccc(CC#N)cc3)ccc2c1	ZINC000008126628	210897855	/nfs/dbraw/zinc/89/78/55/210897855.db2.gz	MDRBQITVZYESQC-HNNXBMFYSA-N	0	0	344.414	4.657	20	30		EJEDRN
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1ccccc1	ZINC000005108644	210391426	/nfs/dbraw/zinc/39/14/26/210391426.db2.gz	HBZSLIKOEMYKLH-MRXNPFEDSA-N	0	0	342.398	4.631	20	30		EJEDRN
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(F)cc1C#N	ZINC000097473073	219027559	/nfs/dbraw/zinc/02/75/59/219027559.db2.gz	WTHBFPJURJRFSN-NSHDSACASA-N	0	0	331.778	4.576	20	30		EJEDRN
C=C(C)Cn1c(SC/C=C\c2ccccc2)nnc1-c1ccncc1	ZINC000101418537	517319350	/nfs/dbraw/zinc/31/93/50/517319350.db2.gz	POXSBAHVWXWUHH-TWGQIWQCSA-N	0	0	348.475	4.722	20	30		EJEDRN
C=CCn1c(SC/C=C\c2ccccc2)nnc1-c1ccccc1	ZINC000005850008	519197336	/nfs/dbraw/zinc/19/73/36/519197336.db2.gz	DQEVXWFXHPOXFG-XFXZXTDPSA-N	0	0	333.460	4.937	20	30		EJEDRN
N#CCCN(C1CCCC1)C(F)(F)c1cnc(Cl)c(Cl)c1	ZINC001165019432	721835185	/nfs/dbraw/zinc/83/51/85/721835185.db2.gz	YBFZWDGHQOPAPZ-UHFFFAOYSA-N	0	0	334.197	4.596	20	30		EJEDRN
CSc1cnc(Cl)c(C(F)(F)N(CCC#N)C2CCCC2)c1	ZINC001165019489	721835701	/nfs/dbraw/zinc/83/57/01/721835701.db2.gz	ZJHMNJIDMVRKCN-UHFFFAOYSA-N	0	0	345.846	4.664	20	30		EJEDRN
N#CCc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1	ZINC000057820954	214453005	/nfs/dbraw/zinc/45/30/05/214453005.db2.gz	JBGQHWAXNIHOCT-UHFFFAOYSA-N	0	0	327.387	4.749	20	30		EJEDRN
N#Cc1c(NC(=O)CCc2ccc(Cl)cc2)sc2c1CCCC2	ZINC000040995146	213406615	/nfs/dbraw/zinc/40/66/15/213406615.db2.gz	AOWKQMUGAQZWET-UHFFFAOYSA-N	0	0	344.867	4.723	20	30		EJEDRN
N#Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1Cl	ZINC000071850974	215881069	/nfs/dbraw/zinc/88/10/69/215881069.db2.gz	YBKAHSMQFXCBFE-UHFFFAOYSA-N	0	0	331.202	4.535	20	30		EJEDRN
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)cc1	ZINC000071865341	215896226	/nfs/dbraw/zinc/89/62/26/215896226.db2.gz	PFQNYEQBIOWADK-UHFFFAOYSA-N	0	0	346.352	4.629	20	30		EJEDRN
COc1ccc(Nc2ccccc2C(=O)Nc2cccc(C#N)c2)cc1	ZINC000071925109	203152871	/nfs/dbraw/zinc/15/28/71/203152871.db2.gz	WBFWKKYMBAJZIA-UHFFFAOYSA-N	0	0	343.386	4.563	20	30		EJEDRN
Cc1ccc(C[C@@H](C#N)Sc2cccc(Br)c2)cc1	ZINC000078461162	217056594	/nfs/dbraw/zinc/05/65/94/217056594.db2.gz	XYYOCQZCSHEKMG-INIZCTEOSA-N	0	0	332.266	4.985	20	30		EJEDRN
CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2SCCC#N)C1(C)C	ZINC000078568750	217078383	/nfs/dbraw/zinc/07/83/83/217078383.db2.gz	HKVBSKKLYDHQLG-WMLDXEAASA-N	0	0	328.481	4.869	20	30		EJEDRN
N#CCOc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2Cl)cc1	ZINC000015587546	211832491	/nfs/dbraw/zinc/83/24/91/211832491.db2.gz	DDHORCYTKGQVOL-RMKNXTFCSA-N	0	0	347.201	4.548	20	30		EJEDRN
C=C(C)COc1cccc(NC(=O)c2ccccc2OC(C)C)c1	ZINC000009824369	211125457	/nfs/dbraw/zinc/12/54/57/211125457.db2.gz	SFESOTOUCIZPQH-UHFFFAOYSA-N	0	0	325.408	4.681	20	30		EJEDRN
Cc1ccc(-n2c(S[C@H](C)C#N)nnc2-c2cccc(C)c2)cc1	ZINC000006865505	210730344	/nfs/dbraw/zinc/73/03/44/210730344.db2.gz	UKFSRGLUWOJNNE-OAHLLOKOSA-N	0	0	334.448	4.555	20	30		EJEDRN
CCn1c2ccccc2c2cc(NC(=O)c3ccc(C#N)cc3)ccc21	ZINC000006248905	210607263	/nfs/dbraw/zinc/60/72/63/210607263.db2.gz	KCBOLJNRLKBRJG-UHFFFAOYSA-N	0	0	339.398	4.938	20	30		EJEDRN
C[C@H](Sc1ccc2ccccc2c1)C(=O)NC1(C#N)CCCCC1	ZINC000005776099	210533192	/nfs/dbraw/zinc/53/31/92/210533192.db2.gz	RXODHTNYACIBKU-HNNXBMFYSA-N	0	0	338.476	4.663	20	30		EJEDRN
COc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1OC	ZINC000005129346	210396500	/nfs/dbraw/zinc/39/65/00/210396500.db2.gz	YDEJNYFIAHSZFG-WEVVVXLNSA-N	0	0	336.309	4.619	20	30		EJEDRN
N#CCCN(C1CCCC1)C(F)(F)c1cc(Cl)cnc1Cl	ZINC001165018906	721835561	/nfs/dbraw/zinc/83/55/61/721835561.db2.gz	USHVUEYIFMCQES-UHFFFAOYSA-N	0	0	334.197	4.596	20	30		EJEDRN
N#CCCN(C1CCCC1)C(F)(F)c1cnc(Cl)c(C2CC2)c1	ZINC001165016608	721836113	/nfs/dbraw/zinc/83/61/13/721836113.db2.gz	DJWZCBVNGSUVQF-UHFFFAOYSA-N	0	0	339.817	4.820	20	30		EJEDRN
C=CCOc1cccc(NC(=O)N(C)[C@H](C)c2ccccc2F)c1	ZINC000056772620	214389234	/nfs/dbraw/zinc/38/92/34/214389234.db2.gz	BMSCHXFTPDEPPH-CQSZACIVSA-N	0	0	328.387	4.615	20	30		EJEDRN
Cc1ccc(-c2nnc(SCCC#N)n2-c2ccc(C)cc2)cc1	ZINC000004541243	210216425	/nfs/dbraw/zinc/21/64/25/210216425.db2.gz	GRJLIHPKZFGRNT-UHFFFAOYSA-N	0	0	334.448	4.557	20	30		EJEDRN
CC(C)c1cccc(C(C)C)c1NC(=O)COc1cccc(C#N)c1	ZINC000036803352	213120153	/nfs/dbraw/zinc/12/01/53/213120153.db2.gz	KZYZJEOBBDNQSA-UHFFFAOYSA-N	0	0	336.435	4.823	20	30		EJEDRN
C=CCOc1cccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)c1	ZINC000072025698	215995580	/nfs/dbraw/zinc/99/55/80/215995580.db2.gz	KDWPKYVLMNYEPL-ZDUSSCGKSA-N	0	0	330.815	4.788	20	30		EJEDRN
C=CCN(C(=O)c1ccsc1)c1nc(-c2ccccc2)cs1	ZINC000022423554	212296614	/nfs/dbraw/zinc/29/66/14/212296614.db2.gz	BYEGYRBVPUGFPH-UHFFFAOYSA-N	0	0	326.446	4.704	20	30		EJEDRN
N#Cc1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)cc1Cl	ZINC000071878992	203134354	/nfs/dbraw/zinc/13/43/54/203134354.db2.gz	JHWFWSZBDOMITL-UHFFFAOYSA-N	0	0	340.810	4.785	20	30		EJEDRN
Cc1ccncc1NC(=O)c1ccccc1Sc1ccccc1C#N	ZINC000078506205	217064771	/nfs/dbraw/zinc/06/47/71/217064771.db2.gz	BHIVEUYCOGZRLH-UHFFFAOYSA-N	0	0	345.427	4.665	20	30		EJEDRN
N#CCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1	ZINC000008641579	210976786	/nfs/dbraw/zinc/97/67/86/210976786.db2.gz	NMDDLGLHTYFXDT-UHFFFAOYSA-N	0	0	340.839	4.593	20	30		EJEDRN
CCN(Cc1csc(-c2ccco2)n1)[C@H](C)c1ccc(C#N)cc1	ZINC000054340244	214232613	/nfs/dbraw/zinc/23/26/13/214232613.db2.gz	MQBLXJWZWXFQNU-CQSZACIVSA-N	0	0	337.448	4.858	20	30		EJEDRN
N#CCCCOc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1	ZINC000055568387	214330545	/nfs/dbraw/zinc/33/05/45/214330545.db2.gz	DVZMVFJGALMYAT-UHFFFAOYSA-N	0	0	338.451	4.524	20	30		EJEDRN
C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1SC	ZINC000056543610	214379674	/nfs/dbraw/zinc/37/96/74/214379674.db2.gz	VUDSRFZRCIQEHS-UHFFFAOYSA-N	0	0	330.428	4.768	20	30		EJEDRN
C[C@H](C#N)Sc1nc2cc(Cl)ccc2n1Cc1ccccc1	ZINC000004221115	210147252	/nfs/dbraw/zinc/14/72/52/210147252.db2.gz	VTMKJTZLASCGSD-GFCCVEGCSA-N	0	0	327.840	4.742	20	30		EJEDRN
C[C@@H](NC(=O)c1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1	ZINC000031383746	202204446	/nfs/dbraw/zinc/20/44/46/202204446.db2.gz	QPSHGEAKSYBTPQ-QGZVFWFLSA-N	0	0	340.426	4.509	20	30		EJEDRN
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2s1	ZINC000071865381	203132957	/nfs/dbraw/zinc/13/29/57/203132957.db2.gz	KSOMKUKSZKGKQR-UHFFFAOYSA-N	0	0	334.444	4.825	20	30		EJEDRN
CCn1c(SCCCC#N)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000072645710	203240353	/nfs/dbraw/zinc/24/03/53/203240353.db2.gz	PGYREHJQEHUPFE-UHFFFAOYSA-N	0	0	328.485	4.658	20	30		EJEDRN
N#CCc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1	ZINC000008125597	210896841	/nfs/dbraw/zinc/89/68/41/210896841.db2.gz	GVASYJPATNCYIA-UHFFFAOYSA-N	0	0	328.371	4.797	20	30		EJEDRN
C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc(F)cc1C#N	ZINC000097473076	219027555	/nfs/dbraw/zinc/02/75/55/219027555.db2.gz	IQYKVWXFJCZOSX-LLVKDONJSA-N	0	0	331.778	4.576	20	30		EJEDRN
N#Cc1c(NC(=O)c2ccc(F)cc2Cl)sc2c1CCCC2	ZINC000005943901	564057214	/nfs/dbraw/zinc/05/72/14/564057214.db2.gz	LDGGHKSFBJMCOJ-UHFFFAOYSA-N	0	0	334.803	4.543	20	30		EJEDRN
N#CCCCOc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1	ZINC000055568410	214330355	/nfs/dbraw/zinc/33/03/55/214330355.db2.gz	WNEHELOKMSWWNQ-UHFFFAOYSA-N	0	0	349.217	4.928	20	30		EJEDRN
C=C(C)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1	ZINC000049775813	214031718	/nfs/dbraw/zinc/03/17/18/214031718.db2.gz	CVWSAFIAOQZREJ-UHFFFAOYSA-N	0	0	325.437	4.563	20	30		EJEDRN
Cc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1F	ZINC000066800194	215080715	/nfs/dbraw/zinc/08/07/15/215080715.db2.gz	WCRDDUZESNBHRB-ZDUSSCGKSA-N	0	0	328.412	4.781	20	30		EJEDRN
N#Cc1ccc(Oc2ccc(NC(=O)N3CCCCCC3)cc2)cc1	ZINC000069203013	215368822	/nfs/dbraw/zinc/36/88/22/215368822.db2.gz	MQZJCRFGIHKUAR-UHFFFAOYSA-N	0	0	335.407	4.758	20	30		EJEDRN
COc1ccccc1Oc1ccc(NC(=O)c2cccc(C#N)c2)cc1	ZINC000026887800	202148785	/nfs/dbraw/zinc/14/87/85/202148785.db2.gz	RWJHNZFPPTUZPF-UHFFFAOYSA-N	0	0	344.370	4.611	20	30		EJEDRN
CC(C)(C)C1C/C(=C/c2cccnc2)C(=O)/C(=C\c2cccnc2)C1	ZINC000033285556	202255437	/nfs/dbraw/zinc/25/54/37/202255437.db2.gz	QHULEUBLJXAJBQ-BJPQZVBLSA-N	0	0	332.447	4.969	20	30		EJEDRN
C=CCn1c(SCc2c(C)cc(C)cc2C)nnc1-c1ccco1	ZINC000072039263	215996921	/nfs/dbraw/zinc/99/69/21/215996921.db2.gz	CIRADYZWTYFNCE-UHFFFAOYSA-N	0	0	339.464	4.942	20	30		EJEDRN
C=CCn1c(S[C@@H](C)c2ccccc2)nnc1-c1ccoc1C	ZINC000072098948	216008830	/nfs/dbraw/zinc/00/88/30/216008830.db2.gz	ALVNXCVJQHTZAI-AWEZNQCLSA-N	0	0	325.437	4.886	20	30		EJEDRN
Cc1cc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nc2ccccc12	ZINC000023561132	212383522	/nfs/dbraw/zinc/38/35/22/212383522.db2.gz	MZTFKVPNWRJQDB-AWEZNQCLSA-N	0	0	347.443	4.534	20	30		EJEDRN
Cc1ccccc1S[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000059929146	202778846	/nfs/dbraw/zinc/77/88/46/202778846.db2.gz	CVXDBODVOUQDRI-GFCCVEGCSA-N	0	0	330.840	4.639	20	30		EJEDRN
Cc1ccc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)c(C)c1	ZINC000021687691	212240772	/nfs/dbraw/zinc/24/07/72/212240772.db2.gz	YSUFPJBXZCGQMK-QGZVFWFLSA-N	0	0	338.476	4.731	20	30		EJEDRN
CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2SCCC#N)C1(C)C	ZINC000078568758	217078898	/nfs/dbraw/zinc/07/88/98/217078898.db2.gz	HKVBSKKLYDHQLG-PBHICJAKSA-N	0	0	328.481	4.869	20	30		EJEDRN
CCc1cccc(CC)c1Nc1nnc(SCCCC#N)s1	ZINC000016327902	211896799	/nfs/dbraw/zinc/89/67/99/211896799.db2.gz	PPAXFIMCYDXMAG-UHFFFAOYSA-N	0	0	332.498	4.802	20	30		EJEDRN
Cc1ccc(-c2csc(NC(=O)c3cccc(C#N)c3)n2)cc1C	ZINC000006216339	210601724	/nfs/dbraw/zinc/60/17/24/210601724.db2.gz	NMCDDQXUSUXXKG-UHFFFAOYSA-N	0	0	333.416	4.551	20	30		EJEDRN
C=CCNc1nnc(SCc2c(Cl)cccc2Cl)s1	ZINC000005785013	210537342	/nfs/dbraw/zinc/53/73/42/210537342.db2.gz	JVHOMRMXJWPNFJ-UHFFFAOYSA-N	0	0	332.281	4.735	20	30		EJEDRN
COc1ccccc1-n1c(-c2ccccc2)cnc1S[C@@H](C)C#N	ZINC000005174871	210405838	/nfs/dbraw/zinc/40/58/38/210405838.db2.gz	SXNUWFKZZJDRKA-AWEZNQCLSA-N	0	0	335.432	4.552	20	30		EJEDRN
COc1ccc(OC)c(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1	ZINC000005129409	210395911	/nfs/dbraw/zinc/39/59/11/210395911.db2.gz	JGOAKKKVAAJVIS-WEVVVXLNSA-N	0	0	336.309	4.619	20	30		EJEDRN
CN(Cc1cccc2ccccc21)C(=O)Nc1ccc(F)cc1C#N	ZINC000097472852	219027532	/nfs/dbraw/zinc/02/75/32/219027532.db2.gz	GAVXTWFPGWCYQN-UHFFFAOYSA-N	0	0	333.366	4.514	20	30		EJEDRN
N#CCCSc1nnc(-c2ccccc2Cl)n1C1CCCC1	ZINC000004329377	210171180	/nfs/dbraw/zinc/17/11/80/210171180.db2.gz	BZERJOAZKJQSLC-UHFFFAOYSA-N	0	0	332.860	4.719	20	30		EJEDRN
N#Cc1ccc(Oc2ccc3c(c2)oc(=O)cc3-c2ccccc2)nc1	ZINC000042816884	213534999	/nfs/dbraw/zinc/53/49/99/213534999.db2.gz	WZSQVAWJIGEDPL-UHFFFAOYSA-N	0	0	340.338	4.519	20	30		EJEDRN
CCOc1ccccc1NC(=O)c1ccccc1-c1ccccc1C#N	ZINC000018116047	201993289	/nfs/dbraw/zinc/99/32/89/201993289.db2.gz	DXKQYVQBXPFGEO-UHFFFAOYSA-N	0	0	342.398	4.876	20	30		EJEDRN
Cc1cc(N[C@H](C)c2cccs2)n2c3ccccc3nc2c1C#N	ZINC000025251843	202128290	/nfs/dbraw/zinc/12/82/90/202128290.db2.gz	DXCWJRVVXMLIRA-CYBMUJFWSA-N	0	0	332.432	4.902	20	30		EJEDRN
C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc(Oc2ccccc2)cc1	ZINC000072069910	216002222	/nfs/dbraw/zinc/00/22/22/216002222.db2.gz	GTZAMTSQQDCNCC-MRXNPFEDSA-N	0	0	334.419	4.740	20	30		EJEDRN
C=C(C)COc1cccc(NC(=O)NCc2ccccc2Cl)c1	ZINC000072093570	216007037	/nfs/dbraw/zinc/00/70/37/216007037.db2.gz	OYZZREUJOJPIEW-UHFFFAOYSA-N	0	0	330.815	4.617	20	30		EJEDRN
N#Cc1c(NC(=O)/C=C\c2ccco2)sc2c1CCCCCC2	ZINC000033897324	202270625	/nfs/dbraw/zinc/27/06/25/202270625.db2.gz	KSULHPFICZBXLB-KTKRTIGZSA-N	0	0	326.421	4.524	20	30		EJEDRN
C[C@H](NC(=O)c1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1	ZINC000031383750	212732609	/nfs/dbraw/zinc/73/26/09/212732609.db2.gz	QPSHGEAKSYBTPQ-KRWDZBQOSA-N	0	0	340.426	4.509	20	30		EJEDRN
N#CCOc1ccc(/C=C\C(=O)Nc2cccc(Cl)c2Cl)cc1	ZINC000230036034	242225392	/nfs/dbraw/zinc/22/53/92/242225392.db2.gz	DDHORCYTKGQVOL-TWGQIWQCSA-N	0	0	347.201	4.548	20	30		EJEDRN
N#Cc1ccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)cc1	ZINC000014908533	211770886	/nfs/dbraw/zinc/77/08/86/211770886.db2.gz	FCMFKMKPDSEOFP-UHFFFAOYSA-N	0	0	346.361	4.529	20	30		EJEDRN
N#CCc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1	ZINC000008126225	210898088	/nfs/dbraw/zinc/89/80/88/210898088.db2.gz	OWJHJQUIOQOEBF-UHFFFAOYSA-N	0	0	340.382	4.833	20	30		EJEDRN
Cc1cccc(-n2c(SCC#N)nnc2-c2ccc(Cl)cc2)c1	ZINC000006044753	210579507	/nfs/dbraw/zinc/57/95/07/210579507.db2.gz	YFFUORHYLLVJEO-UHFFFAOYSA-N	0	0	340.839	4.512	20	30		EJEDRN
C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1	ZINC000005406761	210459511	/nfs/dbraw/zinc/45/95/11/210459511.db2.gz	QTSAEPLLJRKIAS-MRXNPFEDSA-N	0	0	342.398	4.631	20	30		EJEDRN
C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc(F)cc1C#N	ZINC000097473061	219027740	/nfs/dbraw/zinc/02/77/40/219027740.db2.gz	TYWVXVMVOVRYFY-LLVKDONJSA-N	0	0	331.778	4.576	20	30		EJEDRN
COc1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1OC	ZINC000212715898	536613410	/nfs/dbraw/zinc/61/34/10/536613410.db2.gz	OPWBAPVDPXWZRK-CLTKARDFSA-N	0	0	337.202	4.907	20	30		EJEDRN
Cc1ccc(-c2nnc(SCCCC#N)n2-c2ccc(C)cc2)cc1	ZINC000004541209	210216863	/nfs/dbraw/zinc/21/68/63/210216863.db2.gz	ZEEIDWVAKQLATB-UHFFFAOYSA-N	0	0	348.475	4.947	20	30		EJEDRN
CCCCCCCC(=O)Nc1cc(Br)ccc1OC	ZINC000104916520	219434588	/nfs/dbraw/zinc/43/45/88/219434588.db2.gz	MMYGOKMZZQLTMZ-UHFFFAOYSA-N	0	0	328.250	4.757	20	30		EJEDRN
CC(=O)c1ccccc1NC(=O)c1ccccc1-c1ccccc1C#N	ZINC000025724246	202135689	/nfs/dbraw/zinc/13/56/89/202135689.db2.gz	HGCDCBZCCKAJEG-UHFFFAOYSA-N	0	0	340.382	4.680	20	30		EJEDRN
C[C@@H](C#N)Sc1nnc(Nc2ccc(SC(F)F)cc2)s1	ZINC000036796590	213118900	/nfs/dbraw/zinc/11/89/00/213118900.db2.gz	HHDRMNAQLLHASW-ZETCQYMHSA-N	0	0	344.437	4.601	20	30		EJEDRN
CCOc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C#N)ccc2C)cc1	ZINC000069607201	201166163	/nfs/dbraw/zinc/16/61/63/201166163.db2.gz	IHQZODACLSBGEZ-FQEVSTJZSA-N	0	0	349.434	4.634	20	30		EJEDRN
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(F)cc2)c1	ZINC000059994483	202779277	/nfs/dbraw/zinc/77/92/77/202779277.db2.gz	DFWHQCFJPRQTKM-UHFFFAOYSA-N	0	0	346.361	4.529	20	30		EJEDRN
Cc1ccc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)c(C)c1	ZINC000021687693	212239867	/nfs/dbraw/zinc/23/98/67/212239867.db2.gz	YSUFPJBXZCGQMK-KRWDZBQOSA-N	0	0	338.476	4.731	20	30		EJEDRN
C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1ccccc1	ZINC000009353221	211071677	/nfs/dbraw/zinc/07/16/77/211071677.db2.gz	RGONONJSFCISIM-UHFFFAOYSA-N	0	0	342.851	4.528	20	30		EJEDRN
Cc1ccc(-c2csc(NC(=O)c3cccc(C#N)c3)n2)c(C)c1	ZINC000007646362	210824688	/nfs/dbraw/zinc/82/46/88/210824688.db2.gz	KMSOXZOKYGDOPM-UHFFFAOYSA-N	0	0	333.416	4.551	20	30		EJEDRN
N#Cc1cc(NC(=O)c2cc(Cl)sc2Cl)ccc1Cl	ZINC000122103144	222014877	/nfs/dbraw/zinc/01/48/77/222014877.db2.gz	RDXLLJBAJOGCLO-UHFFFAOYSA-N	0	0	331.611	4.832	20	30		EJEDRN
COc1ccc2oc(C(=O)Nc3ccc(C#N)c(Cl)c3)c(C)c2c1	ZINC000068682750	215326632	/nfs/dbraw/zinc/32/66/32/215326632.db2.gz	AGNXWQXKICTGQM-UHFFFAOYSA-N	0	0	340.766	4.527	20	30		EJEDRN
N#CCCCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1	ZINC000036802410	213120224	/nfs/dbraw/zinc/12/02/24/213120224.db2.gz	WWFYTABWWQLKNN-UHFFFAOYSA-N	0	0	332.432	4.601	20	30		EJEDRN
C=C(C)COc1cccc(NC(=O)c2ccc(Cl)cc2OC)c1	ZINC000072091066	216006563	/nfs/dbraw/zinc/00/65/63/216006563.db2.gz	XKGRQSIAYOXXNZ-UHFFFAOYSA-N	0	0	331.799	4.556	20	30		EJEDRN
C=C(C)COc1cccc(NC(=O)c2sccc2OC(F)F)c1	ZINC000078504274	217064711	/nfs/dbraw/zinc/06/47/11/217064711.db2.gz	DTMBIZNJVJRDHN-UHFFFAOYSA-N	0	0	339.363	4.557	20	30		EJEDRN
CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccccc2SCCC#N)C1(C)C	ZINC000078568760	217078375	/nfs/dbraw/zinc/07/83/75/217078375.db2.gz	HKVBSKKLYDHQLG-YOEHRIQHSA-N	0	0	328.481	4.869	20	30		EJEDRN
Cc1c(Cl)cccc1NC(=O)CCNc1ccc(C#N)c(Cl)c1	ZINC000078614612	217087758	/nfs/dbraw/zinc/08/77/58/217087758.db2.gz	RDTVFZDZHBGRBL-UHFFFAOYSA-N	0	0	348.233	4.614	20	30		EJEDRN
N#CCc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1	ZINC000015818012	211854624	/nfs/dbraw/zinc/85/46/24/211854624.db2.gz	MVKODSMKOHMZNP-UHFFFAOYSA-N	0	0	342.398	4.584	20	30		EJEDRN
N#Cc1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl	ZINC000014686234	211753038	/nfs/dbraw/zinc/75/30/38/211753038.db2.gz	SWSIHIZITURSHS-UHFFFAOYSA-N	0	0	339.609	4.700	20	30		EJEDRN
C=CCn1c(SC(C)C)nc2scc(-c3cccs3)c2c1=O	ZINC000011382625	211214492	/nfs/dbraw/zinc/21/44/92/211214492.db2.gz	ZMHJRNGVTAFHAZ-UHFFFAOYSA-N	0	0	348.518	4.873	20	30		EJEDRN
N#Cc1cccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1	ZINC000007670465	210829205	/nfs/dbraw/zinc/82/92/05/210829205.db2.gz	LRMTYKHRVFRNSL-UHFFFAOYSA-N	0	0	345.836	4.649	20	30		EJEDRN
CC(C)c1ccc(N[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1	ZINC000096967477	218906152	/nfs/dbraw/zinc/90/61/52/218906152.db2.gz	VPNBGSMEOZUZSI-QGZVFWFLSA-N	0	0	335.451	4.557	20	30		EJEDRN
Cc1c(NCc2cccc(C#N)c2)cccc1NC(=O)c1ccccc1	ZINC000097465885	219026137	/nfs/dbraw/zinc/02/61/37/219026137.db2.gz	XWBWHDMYHWXLKE-UHFFFAOYSA-N	0	0	341.414	4.731	20	30		EJEDRN
CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1C#N	ZINC000097472606	219027476	/nfs/dbraw/zinc/02/74/76/219027476.db2.gz	BRYHDQWBVODGBF-AWEZNQCLSA-N	0	0	325.387	4.530	20	30		EJEDRN
N#CCCN(C1CCCC1)C(F)(F)c1cnc(Cl)cc1Cl	ZINC001165019472	721835475	/nfs/dbraw/zinc/83/54/75/721835475.db2.gz	YYHORVALOJOFGL-UHFFFAOYSA-N	0	0	334.197	4.596	20	30		EJEDRN
C=CCOc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2F)c1	ZINC000056772619	214388635	/nfs/dbraw/zinc/38/86/35/214388635.db2.gz	BMSCHXFTPDEPPH-AWEZNQCLSA-N	0	0	328.387	4.615	20	30		EJEDRN
Cc1[nH]c2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2c1C	ZINC000048383259	213936478	/nfs/dbraw/zinc/93/64/78/213936478.db2.gz	VQSMIZPXSANXAX-UHFFFAOYSA-N	0	0	347.418	4.720	20	30		EJEDRN
Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c(Cl)c1	ZINC000000514064	209642515	/nfs/dbraw/zinc/64/25/15/209642515.db2.gz	ZFJWNMFKLIXAHL-UHFFFAOYSA-N	0	0	330.840	4.713	20	30		EJEDRN
C=CCn1c(C)nnc1S[C@@H](c1ccccc1)c1ccccc1C	ZINC000071851924	215881501	/nfs/dbraw/zinc/88/15/01/215881501.db2.gz	IJIZZVRPWZJGCZ-IBGZPJMESA-N	0	0	335.476	4.963	20	30		EJEDRN
C=CCN1C(=O)c2ccccc2N[C@H]1c1cccc(Cl)c1Cl	ZINC000024034388	212404904	/nfs/dbraw/zinc/40/49/04/212404904.db2.gz	DXFJBOSIIMPOJV-MRXNPFEDSA-N	0	0	333.218	4.746	20	30		EJEDRN
CC(C)(C)[C@H]1CCc2sc(-c3nnc(SCC#N)o3)cc2C1	ZINC000023475652	212378545	/nfs/dbraw/zinc/37/85/45/212378545.db2.gz	OWPDNMKYJUEDFI-NSHDSACASA-N	0	0	333.482	4.565	20	30		EJEDRN
Cc1ccc(C)c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)c1	ZINC000021687680	212240833	/nfs/dbraw/zinc/24/08/33/212240833.db2.gz	YRNRMOQGTSEMJO-QGZVFWFLSA-N	0	0	338.476	4.731	20	30		EJEDRN
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1C#N	ZINC000097472545	203946085	/nfs/dbraw/zinc/94/60/85/203946085.db2.gz	PSHFUIHBKIPRTP-CQSZACIVSA-N	0	0	337.398	4.530	20	30		EJEDRN
CCC(C)(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C	ZINC000078463783	217056223	/nfs/dbraw/zinc/05/62/23/217056223.db2.gz	QIQGQLPVDUEEHU-UHFFFAOYSA-N	0	0	336.435	4.820	20	30		EJEDRN
C=CCn1c(SCc2ccc(C)cc2)nnc1-c1ccoc1C	ZINC000014063793	211675023	/nfs/dbraw/zinc/67/50/23/211675023.db2.gz	MGZVVWMGWXWEKO-UHFFFAOYSA-N	0	0	325.437	4.633	20	30		EJEDRN
N#Cc1cc2c(nc1SCc1coc(-c3ccccc3)n1)CCCC2	ZINC000096995019	218909893	/nfs/dbraw/zinc/90/98/93/218909893.db2.gz	TUOZZWHABFIRMR-UHFFFAOYSA-N	0	0	347.443	4.779	20	30		EJEDRN
C=CCn1c(S[C@@H]2CCCc3ccccc32)nnc1-c1ccncc1	ZINC000097363085	219015723	/nfs/dbraw/zinc/01/57/23/219015723.db2.gz	VZQLSDYDFGYREC-GOSISDBHSA-N	0	0	348.475	4.696	20	30		EJEDRN
N#CCCN(C1CCCC1)C(F)(F)C1(c2ccnc(Cl)c2)CC1	ZINC001165017813	721836089	/nfs/dbraw/zinc/83/60/89/721836089.db2.gz	QACKIISNXBYNGV-UHFFFAOYSA-N	0	0	339.817	4.518	20	30		EJEDRN
CCN(CCC#N)C(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1	ZINC001165048894	721986790	/nfs/dbraw/zinc/98/67/90/721986790.db2.gz	PWODWDWSXUGUDL-UHFFFAOYSA-N	0	0	335.785	4.687	20	30		EJEDRN
N#Cc1ccc(OCc2ccc(F)c(Br)c2)c(Cl)c1	ZINC000104172677	219354861	/nfs/dbraw/zinc/35/48/61/219354861.db2.gz	XUEJCROOKLHTHH-UHFFFAOYSA-N	0	0	340.579	4.692	20	30		EJEDRN
O=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(C2CCCCC2)cc1	ZINC000026254280	202139841	/nfs/dbraw/zinc/13/98/41/202139841.db2.gz	NXDPFRXTKALLSM-UHFFFAOYSA-N	0	0	338.333	4.508	20	30		EJEDRN
N#Cc1cnc2ccccc2c1NCc1ccc(Br)s1	ZINC000038018867	213190946	/nfs/dbraw/zinc/19/09/46/213190946.db2.gz	GVRMEKUYXNHBJW-UHFFFAOYSA-N	0	0	344.237	4.543	20	30		EJEDRN
N#Cc1cc(NCc2ccc(F)c(Br)c2)ccc1Cl	ZINC000036973210	213128097	/nfs/dbraw/zinc/12/80/97/213128097.db2.gz	ZHQNXNINHLHUCA-UHFFFAOYSA-N	0	0	339.595	4.725	20	30		EJEDRN
Cc1cccc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c1	ZINC000072042461	215997321	/nfs/dbraw/zinc/99/73/21/215997321.db2.gz	WCXUOISRXGVIBI-GFCCVEGCSA-N	0	0	330.840	4.639	20	30		EJEDRN
C=C(C)COc1cccc(NC(=O)NCc2ccc(Cl)cc2)c1	ZINC000072093572	216007577	/nfs/dbraw/zinc/00/75/77/216007577.db2.gz	VIJUCWGZKHPADF-UHFFFAOYSA-N	0	0	330.815	4.617	20	30		EJEDRN
Cc1ccc(C[C@H](C#N)Sc2ccccc2Br)cc1	ZINC000071843731	203127103	/nfs/dbraw/zinc/12/71/03/203127103.db2.gz	WRTCLXBEDXYYBS-CQSZACIVSA-N	0	0	332.266	4.985	20	30		EJEDRN
CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1ccc(C#N)cc1	ZINC000071845010	203127227	/nfs/dbraw/zinc/12/72/27/203127227.db2.gz	PXHWLDYJOAAGGL-HNNXBMFYSA-N	0	0	348.446	4.890	20	30		EJEDRN
CC(C)c1nc(CSc2nc3c(cc2C#N)CCCC3)cs1	ZINC000097292718	203938150	/nfs/dbraw/zinc/93/81/50/203938150.db2.gz	YWNWOFZNSRVGCR-UHFFFAOYSA-N	0	0	329.494	4.704	20	30		EJEDRN
CCCc1ccc(-c2nc(NC(=O)C3(C#N)CCC3)sc2C)cc1	ZINC000078818653	217128401	/nfs/dbraw/zinc/12/84/01/217128401.db2.gz	ZXJNPBGFYWKMOB-UHFFFAOYSA-N	0	0	339.464	4.703	20	30		EJEDRN
N#Cc1ccc(COc2ccc(Cl)cc2Br)c(F)c1	ZINC000011392716	211214726	/nfs/dbraw/zinc/21/47/26/211214726.db2.gz	IBGHVFQTSSIJBC-UHFFFAOYSA-N	0	0	340.579	4.692	20	30		EJEDRN
N#CCCN(C1CCCC1)C(F)(F)Sc1ccc(Cl)nc1	ZINC001165016364	721836069	/nfs/dbraw/zinc/83/60/69/721836069.db2.gz	ATHFPTFXXBFOOZ-UHFFFAOYSA-N	0	0	331.819	4.536	20	30		EJEDRN
C[C@H](c1ccccc1Cl)N(C)C(=O)CSc1ccc(C#N)cc1	ZINC000063563265	214761378	/nfs/dbraw/zinc/76/13/78/214761378.db2.gz	DGTPSYRWVTYVCA-CYBMUJFWSA-N	0	0	344.867	4.523	20	30		EJEDRN
CCc1nc2ccccc2c(C(=O)Nc2ccc(C#N)c(Cl)c2)c1C	ZINC000060392434	214636440	/nfs/dbraw/zinc/63/64/40/214636440.db2.gz	OLMFXVQRAIZBQI-UHFFFAOYSA-N	0	0	349.821	4.883	20	30		EJEDRN
Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)c1cccs1	ZINC000035657225	213043625	/nfs/dbraw/zinc/04/36/25/213043625.db2.gz	INRYFQOZLMEXKX-KTKRTIGZSA-N	0	0	328.824	4.792	20	30		EJEDRN
C[C@H](NC(=O)C1(C#N)CCCC1)c1ccc(Oc2ccccc2)cc1	ZINC000072069909	216002309	/nfs/dbraw/zinc/00/23/09/216002309.db2.gz	GTZAMTSQQDCNCC-INIZCTEOSA-N	0	0	334.419	4.740	20	30		EJEDRN
COc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1	ZINC000029568966	212673607	/nfs/dbraw/zinc/67/36/07/212673607.db2.gz	SSFSCIRMLOMJJF-UXBLZVDNSA-N	0	0	336.309	4.619	20	30		EJEDRN
C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](c2ccccc2)O1	ZINC000217059169	241236996	/nfs/dbraw/zinc/23/69/96/241236996.db2.gz	MILNYOOTPJHMHI-ACJLOTCBSA-N	0	0	346.352	4.543	20	30		EJEDRN
Cc1ccc(C[C@H](C#N)Sc2cccc(Br)c2)cc1	ZINC000078461165	217057239	/nfs/dbraw/zinc/05/72/39/217057239.db2.gz	XYYOCQZCSHEKMG-MRXNPFEDSA-N	0	0	332.266	4.985	20	30		EJEDRN
N#CC1(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CCC1	ZINC000078818735	217128258	/nfs/dbraw/zinc/12/82/58/217128258.db2.gz	SEGHFBHKWWZJHZ-UHFFFAOYSA-N	0	0	326.783	4.765	20	30		EJEDRN
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1ccccc1	ZINC000005108641	210391966	/nfs/dbraw/zinc/39/19/66/210391966.db2.gz	HBZSLIKOEMYKLH-INIZCTEOSA-N	0	0	342.398	4.631	20	30		EJEDRN
COc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)c(OC)c1	ZINC000005128041	210397019	/nfs/dbraw/zinc/39/70/19/210397019.db2.gz	IBERQIQSQYUQQP-BJMVGYQFSA-N	0	0	336.309	4.619	20	30		EJEDRN
C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccc(F)cc1C#N	ZINC000097473075	219027393	/nfs/dbraw/zinc/02/73/93/219027393.db2.gz	IQYKVWXFJCZOSX-NSHDSACASA-N	0	0	331.778	4.576	20	30		EJEDRN
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(F)cc1C#N	ZINC000097472834	219027453	/nfs/dbraw/zinc/02/74/53/219027453.db2.gz	VQRMIQYKPZFMDA-LBPRGKRZSA-N	0	0	337.354	4.668	20	30		EJEDRN
N#CC1(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CCCC1	ZINC000052752560	214143745	/nfs/dbraw/zinc/14/37/45/214143745.db2.gz	FKGDEYIUUXJRNC-UHFFFAOYSA-N	0	0	347.443	4.986	20	30		EJEDRN
C[C@@H](C#N)Sc1nc2cc(Cl)ccc2n1Cc1ccccc1	ZINC000004221114	210146349	/nfs/dbraw/zinc/14/63/49/210146349.db2.gz	VTMKJTZLASCGSD-LBPRGKRZSA-N	0	0	327.840	4.742	20	30		EJEDRN
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(F)c1F	ZINC000066800898	215080958	/nfs/dbraw/zinc/08/09/58/215080958.db2.gz	MAIXFCHRDKQOFE-NSHDSACASA-N	0	0	332.375	4.611	20	30		EJEDRN
C[C@@H](c1ccccc1Cl)N(C)C(=O)CSc1ccc(C#N)cc1	ZINC000068983475	215351765	/nfs/dbraw/zinc/35/17/65/215351765.db2.gz	DGTPSYRWVTYVCA-ZDUSSCGKSA-N	0	0	344.867	4.523	20	30		EJEDRN
CCOc1cc(/C=C\C(=O)c2ccc(C)cc2)ccc1OC(F)F	ZINC000035678114	202308026	/nfs/dbraw/zinc/30/80/26/202308026.db2.gz	MTSROBVDZIZPSH-POHAHGRESA-N	0	0	332.346	4.891	20	30		EJEDRN
CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SCC#N)o3)cc2C1	ZINC000023475650	212378178	/nfs/dbraw/zinc/37/81/78/212378178.db2.gz	OWPDNMKYJUEDFI-LLVKDONJSA-N	0	0	333.482	4.565	20	30		EJEDRN
Cc1ccccc1NC(=O)/C=C\c1cn(CCC#N)c2ccccc12	ZINC000211574536	241081674	/nfs/dbraw/zinc/08/16/74/241081674.db2.gz	HGWCDYNNLKFICT-QXMHVHEDSA-N	0	0	329.403	4.515	20	30		EJEDRN
N#Cc1ccc(NC(=O)N2CCC[C@H]2C2CCCCC2)cc1Cl	ZINC000071939873	203153991	/nfs/dbraw/zinc/15/39/91/203153991.db2.gz	AVKDCFPPKHJACW-KRWDZBQOSA-N	0	0	331.847	4.788	20	30		EJEDRN
Cc1cc(Br)cc(C)c1NCc1ccc(C#N)cc1F	ZINC000020071127	212099628	/nfs/dbraw/zinc/09/96/28/212099628.db2.gz	GKJWDPCHVDXJHY-UHFFFAOYSA-N	0	0	333.204	4.689	20	30		EJEDRN
CC(C)(C)c1ccc(-c2csc(NC(=O)C3(C#N)CCC3)n2)cc1	ZINC000078818626	217128469	/nfs/dbraw/zinc/12/84/69/217128469.db2.gz	GYKTWVITXOCCJT-UHFFFAOYSA-N	0	0	339.464	4.740	20	30		EJEDRN
COc1ccc(C)cc1NC(=O)c1ccccc1-c1ccccc1C#N	ZINC000007277942	210779087	/nfs/dbraw/zinc/77/90/87/210779087.db2.gz	RXHRCCVPLHZHJM-UHFFFAOYSA-N	0	0	342.398	4.795	20	30		EJEDRN
Cc1cccc(-c2nnc(SCC#N)n2-c2ccc(Cl)cc2)c1	ZINC000097528724	219033424	/nfs/dbraw/zinc/03/34/24/219033424.db2.gz	SDWRMHNMSXHVFG-UHFFFAOYSA-N	0	0	340.839	4.512	20	30		EJEDRN
O=C(/C=C/c1cccc(O)c1)c1ccccc1OCc1ccccc1	ZINC000005279097	527627689	/nfs/dbraw/zinc/62/76/89/527627689.db2.gz	BIJOOERTNVCNLU-BUHFOSPRSA-N	0	0	330.383	4.867	20	30		EJEDRN
N#CCCN(C1CCCC1)C(F)(F)c1ccnc(Cl)c1Cl	ZINC001165019490	721835537	/nfs/dbraw/zinc/83/55/37/721835537.db2.gz	ZKCZHJSKSGKRBV-UHFFFAOYSA-N	0	0	334.197	4.596	20	30		EJEDRN
CCN(CCC#N)C(F)(F)c1cnc(Cl)c(-c2cccc(C)c2)c1	ZINC001165048008	721987884	/nfs/dbraw/zinc/98/78/84/721987884.db2.gz	HHWBSOSWHCNFNP-UHFFFAOYSA-N	0	0	349.812	4.995	20	30		EJEDRN
N#Cc1cccc(NC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)c1	ZINC000003306775	210002962	/nfs/dbraw/zinc/00/29/62/210002962.db2.gz	HVRRHLRHAFGSMP-LDADJPATSA-N	0	0	348.402	4.938	20	30		EJEDRN
C[C@@H](Sc1ccccc1Cl)C(=O)N(CCC#N)c1ccccc1	ZINC000022615198	212310837	/nfs/dbraw/zinc/31/08/37/212310837.db2.gz	FTIKPQUKTLPMRV-CQSZACIVSA-N	0	0	344.867	4.767	20	30		EJEDRN
CCCC(CCC)SCC(=O)Nc1ccccc1SCC#N	ZINC000064048274	202812553	/nfs/dbraw/zinc/81/25/53/202812553.db2.gz	BTPQOJQPEITGSZ-UHFFFAOYSA-N	0	0	336.526	4.943	20	30		EJEDRN
Cc1ccc(C[C@@H](C#N)Sc2ccccc2Br)cc1	ZINC000071843730	203127089	/nfs/dbraw/zinc/12/70/89/203127089.db2.gz	WRTCLXBEDXYYBS-AWEZNQCLSA-N	0	0	332.266	4.985	20	30		EJEDRN
COc1ccc(/C=C/C(=O)c2cccc(Cl)c2Cl)cc1OC	ZINC000103215954	204067774	/nfs/dbraw/zinc/06/77/74/204067774.db2.gz	KPPFMPJOWCSHHW-SOFGYWHQSA-N	0	0	337.202	4.907	20	30		EJEDRN
C=CCn1c(C)nnc1S[C@H](C)c1ccc(C(F)(F)F)cc1	ZINC000078480797	217060397	/nfs/dbraw/zinc/06/03/97/217060397.db2.gz	IABRYSHSMNGUOQ-SNVBAGLBSA-N	0	0	327.375	4.645	20	30		EJEDRN
C=CCN(CC1CCCCC1)C(=O)c1ccc(Br)cc1	ZINC000078651821	217095675	/nfs/dbraw/zinc/09/56/75/217095675.db2.gz	QEJAZFNWINRQOT-UHFFFAOYSA-N	0	0	336.273	4.658	20	30		EJEDRN
N#CCc1ccc(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)cc1	ZINC000079648806	217245974	/nfs/dbraw/zinc/24/59/74/217245974.db2.gz	WNWGWHKWWPMNPE-SFHVURJKSA-N	0	0	339.826	4.775	20	30		EJEDRN
O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(F)cc1	ZINC000033376634	527654150	/nfs/dbraw/zinc/65/41/50/527654150.db2.gz	DKYFASZJOIACKA-NTMALXAHSA-N	0	0	337.306	4.890	20	30		EJEDRN
N#CCCN(C1CCCC1)C(F)(F)C1(c2ccc(Cl)nc2)CC1	ZINC001165016320	721835962	/nfs/dbraw/zinc/83/59/62/721835962.db2.gz	ARRHYPVDPWNYOD-UHFFFAOYSA-N	0	0	339.817	4.518	20	30		EJEDRN
CCN(CCC#N)C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1	ZINC001165048682	721986818	/nfs/dbraw/zinc/98/68/18/721986818.db2.gz	OQJUEOKBRYUKPM-UHFFFAOYSA-N	0	0	344.192	4.826	20	30		EJEDRN
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)ccc1F	ZINC000066801478	215080911	/nfs/dbraw/zinc/08/09/11/215080911.db2.gz	DDPYKLOCILNIAH-NSHDSACASA-N	0	0	332.375	4.611	20	30		EJEDRN
CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1Cl	ZINC000043154650	213564300	/nfs/dbraw/zinc/56/43/00/213564300.db2.gz	KUYGWKDEQSDPRD-UHFFFAOYSA-N	0	0	334.206	4.529	20	30		EJEDRN
Cc1ccsc1C(=O)Nc1nnc(SCc2ccccc2)s1	ZINC000021954044	202074678	/nfs/dbraw/zinc/07/46/78/202074678.db2.gz	SXLIQEBZPOAYDS-UHFFFAOYSA-N	0	0	347.490	4.837	20	30		EJEDRN
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(F)c1F	ZINC000066800899	201158693	/nfs/dbraw/zinc/15/86/93/201158693.db2.gz	MAIXFCHRDKQOFE-LLVKDONJSA-N	0	0	332.375	4.611	20	30		EJEDRN
C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](c2ccccc2)O1	ZINC000217059187	241236357	/nfs/dbraw/zinc/23/63/57/241236357.db2.gz	MILNYOOTPJHMHI-UGSOOPFHSA-N	0	0	346.352	4.543	20	30		EJEDRN
N#CCOc1ccc(/C=C\C(=O)Nc2ccc(Cl)cc2Cl)cc1	ZINC000229870723	242210570	/nfs/dbraw/zinc/21/05/70/242210570.db2.gz	IXGNDHWLZRNYMQ-BAQGIRSFSA-N	0	0	347.201	4.548	20	30		EJEDRN
Cc1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1	ZINC000020159008	212107104	/nfs/dbraw/zinc/10/71/04/212107104.db2.gz	KGKUDLJZTJPFQG-AWEZNQCLSA-N	0	0	338.476	4.624	20	30		EJEDRN
COc1cc(Cl)ccc1C(=O)Nc1ccccc1SCCC#N	ZINC000078568900	217078878	/nfs/dbraw/zinc/07/88/78/217078878.db2.gz	QBBKXOWVXOWXSD-UHFFFAOYSA-N	0	0	346.839	4.607	20	30		EJEDRN
Cc1ccc(-c2nc(CCNc3ccc(C#N)c(Cl)c3)co2)cc1	ZINC000078727511	217110354	/nfs/dbraw/zinc/11/03/54/217110354.db2.gz	LNMHOTSCGQYYKT-UHFFFAOYSA-N	0	0	337.810	4.830	20	30		EJEDRN
C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1	ZINC000005406759	210458803	/nfs/dbraw/zinc/45/88/03/210458803.db2.gz	QTSAEPLLJRKIAS-INIZCTEOSA-N	0	0	342.398	4.631	20	30		EJEDRN
N#CCCCSc1ncnc2cc(-c3ccc(F)cc3)sc21	ZINC000005040003	210370879	/nfs/dbraw/zinc/37/08/79/210370879.db2.gz	CTMGTSOVIFFJKN-UHFFFAOYSA-N	0	0	329.425	4.893	20	30		EJEDRN
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccc(F)cc1C#N	ZINC000097473060	219027416	/nfs/dbraw/zinc/02/74/16/219027416.db2.gz	TYWVXVMVOVRYFY-NSHDSACASA-N	0	0	331.778	4.576	20	30		EJEDRN
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(F)cc1C#N	ZINC000097473074	219027820	/nfs/dbraw/zinc/02/78/20/219027820.db2.gz	WTHBFPJURJRFSN-LLVKDONJSA-N	0	0	331.778	4.576	20	30		EJEDRN
C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(F)cc1C#N	ZINC000097472835	219027844	/nfs/dbraw/zinc/02/78/44/219027844.db2.gz	VQRMIQYKPZFMDA-GFCCVEGCSA-N	0	0	337.354	4.668	20	30		EJEDRN
CC#CCSc1nnc(-c2ccccc2Cl)n1C1CCCC1	ZINC000097599212	219038616	/nfs/dbraw/zinc/03/86/16/219038616.db2.gz	AUJIWOZMWMXRDZ-UHFFFAOYSA-N	0	0	331.872	4.829	20	30		EJEDRN
CN(Cc1ccc(C#N)cc1)C(F)(F)c1cnc(Cl)c(C2CC2)c1	ZINC001165017443	721837386	/nfs/dbraw/zinc/83/73/86/721837386.db2.gz	MHIJXKYUFNAQPW-UHFFFAOYSA-N	0	0	347.796	4.665	20	30		EJEDRN
CCN(CCC#N)C(F)(F)c1cnc(Cl)c(-c2cccs2)c1	ZINC001165047740	721987822	/nfs/dbraw/zinc/98/78/22/721987822.db2.gz	DWMXHIVCMFYHNJ-UHFFFAOYSA-N	0	0	341.814	4.748	20	30		EJEDRN