smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)/N=C/c1cc(Cl)cc(Cl)c1O	ZINC000000493174	342688924	/nfs/dbraw/zinc/68/89/24/342688924.db2.gz	USGOZLWZVPEDNN-MKMNVTDBSA-N	0	1	246.137	3.916	10	30		BHEEMN
C#CCN[C@@H](c1ccccc1)c1cc(C)ccc1C	ZINC000019875475	166190746	/nfs/dbraw/zinc/19/07/46/166190746.db2.gz	YNYLHHASGZBBJG-SFHVURJKSA-N	0	1	249.357	3.616	10	30		BHEEMN
C#CCN[C@H](c1ccccc1)c1cc(C)ccc1C	ZINC000019875476	166191826	/nfs/dbraw/zinc/19/18/26/166191826.db2.gz	YNYLHHASGZBBJG-GOSISDBHSA-N	0	1	249.357	3.616	10	30		BHEEMN
C#CCN[C@@H](c1ccccc1)c1ccc(C)cc1C	ZINC000019875614	166191309	/nfs/dbraw/zinc/19/13/09/166191309.db2.gz	CUQLVXXYUYVATI-SFHVURJKSA-N	0	1	249.357	3.616	10	30		BHEEMN
C#CCN[C@H](c1ccccc1)c1ccc(C)cc1C	ZINC000019875615	166192507	/nfs/dbraw/zinc/19/25/07/166192507.db2.gz	CUQLVXXYUYVATI-GOSISDBHSA-N	0	1	249.357	3.616	10	30		BHEEMN
O/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1	ZINC000020436541	385427367	/nfs/dbraw/zinc/42/73/67/385427367.db2.gz	JDGKUMRUJZRBBG-MKMNVTDBSA-N	0	1	239.633	3.547	10	30		BHEEMN
CC(C)=Nc1c(Cl)ccc(O)c1Cl	ZINC000033606956	385254116	/nfs/dbraw/zinc/25/41/16/385254116.db2.gz	JJMJCJRISFLLDK-UHFFFAOYSA-N	0	1	218.083	3.811	10	30		BHEEMN
C=C1CN(Cc2ccccc2)Cc2ccccc21	ZINC000034483316	345835341	/nfs/dbraw/zinc/83/53/41/345835341.db2.gz	QCZIPSXLARXEQO-UHFFFAOYSA-N	0	1	235.330	3.716	10	30		BHEEMN
CCCCCCCc1cccc2cncn21	ZINC000036242189	342900858	/nfs/dbraw/zinc/90/08/58/342900858.db2.gz	TYMNZSSZEINRIM-UHFFFAOYSA-N	0	1	216.328	3.847	10	30		BHEEMN
N#CC1(N2CCCCCC2)CCCCCCC1	ZINC000038086233	181029661	/nfs/dbraw/zinc/02/96/61/181029661.db2.gz	KZWVLEOBSGMYKX-UHFFFAOYSA-N	0	1	234.387	3.869	10	30		BHEEMN
C[C@@H]1CC(C)(C)C[C@@](C#N)(N2CCCCCC2)C1	ZINC000038086259	176052526	/nfs/dbraw/zinc/05/25/26/176052526.db2.gz	UASJWRKSQQQYTN-ZBFHGGJFSA-N	0	1	248.414	3.971	10	30		BHEEMN
C[C@H]1CC(C)(C)C[C@@](C#N)(N2CCCCCC2)C1	ZINC000038086260	177063781	/nfs/dbraw/zinc/06/37/81/177063781.db2.gz	UASJWRKSQQQYTN-HOCLYGCPSA-N	0	1	248.414	3.971	10	30		BHEEMN
C[C@@H]1CC(C)(C)C[C@](C#N)(N2CCCCCC2)C1	ZINC000038086261	176051933	/nfs/dbraw/zinc/05/19/33/176051933.db2.gz	UASJWRKSQQQYTN-GDBMZVCRSA-N	0	1	248.414	3.971	10	30		BHEEMN
C[C@H]1CC(C)(C)C[C@](C#N)(N2CCCCCC2)C1	ZINC000038086262	177063951	/nfs/dbraw/zinc/06/39/51/177063951.db2.gz	UASJWRKSQQQYTN-GOEBONIOSA-N	0	1	248.414	3.971	10	30		BHEEMN
CC[C@H](C)C[C@](C#N)(CC)N1CCCCCC1	ZINC000038086266	171298832	/nfs/dbraw/zinc/29/88/32/171298832.db2.gz	KKAHWZOYEWUWAH-GJZGRUSLSA-N	0	1	236.403	3.971	10	30		BHEEMN
CC[C@H](C)C[C@@](C#N)(CC)N1CCCCCC1	ZINC000038086268	171296408	/nfs/dbraw/zinc/29/64/08/171296408.db2.gz	KKAHWZOYEWUWAH-LSDHHAIUSA-N	0	1	236.403	3.971	10	30		BHEEMN
C[C@](C#N)(C1CCCCC1)N1CCCCCC1	ZINC000038086294	177440619	/nfs/dbraw/zinc/44/06/19/177440619.db2.gz	NASULHYVNMFGGF-HNNXBMFYSA-N	0	1	234.387	3.725	10	30		BHEEMN
C=C(Cl)Cc1c(Cl)ccc(Cl)c1O	ZINC000038918738	398029923	/nfs/dbraw/zinc/02/99/23/398029923.db2.gz	DPKRVBBLCXPTLO-UHFFFAOYSA-N	0	1	237.513	3.994	10	30		BHEEMN
CC(C)N(Cc1cccs1)[C@@H]1CCC[C@@H]1C#N	ZINC000042518285	188294273	/nfs/dbraw/zinc/29/42/73/188294273.db2.gz	JGMBEEQCWYUHJU-TZMCWYRMSA-N	0	1	248.395	3.651	10	30		BHEEMN
CC(C)C[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1F	ZINC000045770039	188297468	/nfs/dbraw/zinc/29/74/68/188297468.db2.gz	PFEFRWOOHYFYEP-GFCCVEGCSA-N	0	1	248.345	3.564	10	30		BHEEMN
CC(C)C[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1F	ZINC000045770092	188297936	/nfs/dbraw/zinc/29/79/36/188297936.db2.gz	TVWFPDSDXMORBG-LBPRGKRZSA-N	0	1	248.345	3.564	10	30		BHEEMN
C=CCc1cc(Br)cc(Cl)c1O	ZINC000052064442	350901921	/nfs/dbraw/zinc/90/19/21/350901921.db2.gz	OIJACWUOKJSWKL-UHFFFAOYSA-N	0	1	247.519	3.537	10	30		BHEEMN
CCCC[C@H](NC[C@@H](C)C#N)c1ccccc1	ZINC000054181167	169011505	/nfs/dbraw/zinc/01/15/05/169011505.db2.gz	MSDNOBFIDMIOJG-ZFWWWQNUSA-N	0	1	230.355	3.667	10	30		BHEEMN
CCCC[C@H](NC[C@H](C)C#N)c1ccccc1	ZINC000054181171	169012312	/nfs/dbraw/zinc/01/23/12/169012312.db2.gz	MSDNOBFIDMIOJG-HIFRSBDPSA-N	0	1	230.355	3.667	10	30		BHEEMN
Cc1ccccc1CN[C@@H]1CCCCC[C@@H]1C#N	ZINC000054825577	179282330	/nfs/dbraw/zinc/28/23/30/179282330.db2.gz	SIUIVFMNLJBYGI-GDBMZVCRSA-N	0	1	242.366	3.557	10	30		BHEEMN
Cc1ccccc1CN[C@H]1CCCCC[C@@H]1C#N	ZINC000054825578	179284069	/nfs/dbraw/zinc/28/40/69/179284069.db2.gz	SIUIVFMNLJBYGI-ZBFHGGJFSA-N	0	1	242.366	3.557	10	30		BHEEMN
Cc1ccccc1CN[C@@H]1CCCCC[C@H]1C#N	ZINC000054825579	179282100	/nfs/dbraw/zinc/28/21/00/179282100.db2.gz	SIUIVFMNLJBYGI-GOEBONIOSA-N	0	1	242.366	3.557	10	30		BHEEMN
Cc1ccccc1CN[C@H]1CCCCC[C@H]1C#N	ZINC000054825580	179284293	/nfs/dbraw/zinc/28/42/93/179284293.db2.gz	SIUIVFMNLJBYGI-HOCLYGCPSA-N	0	1	242.366	3.557	10	30		BHEEMN
Cc1ccccc1[C@H](C)N[C@@H]1CCCC[C@@H]1C#N	ZINC000054826967	369100641	/nfs/dbraw/zinc/10/06/41/369100641.db2.gz	IUKYXPOLYBQRAR-SQWLQELKSA-N	0	1	242.366	3.728	10	30		BHEEMN
Cc1ccccc1[C@H](C)N[C@H]1CCCC[C@@H]1C#N	ZINC000054826969	369100893	/nfs/dbraw/zinc/10/08/93/369100893.db2.gz	IUKYXPOLYBQRAR-LZWOXQAQSA-N	0	1	242.366	3.728	10	30		BHEEMN
CC(C)[C@H](N[C@@H]1CCC[C@@H]1C#N)c1cccs1	ZINC000054827140	188126935	/nfs/dbraw/zinc/12/69/35/188126935.db2.gz	MUFINPLGWYMPRJ-BZPMIXESSA-N	0	1	248.395	3.727	10	30		BHEEMN
CC(C)[C@H](N[C@H]1CCC[C@@H]1C#N)c1cccs1	ZINC000054827143	188300570	/nfs/dbraw/zinc/30/05/70/188300570.db2.gz	MUFINPLGWYMPRJ-DYEKYZERSA-N	0	1	248.395	3.727	10	30		BHEEMN
Cc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C#N)cc1	ZINC000054827191	178896083	/nfs/dbraw/zinc/89/60/83/178896083.db2.gz	SYLISOIGXBGLEF-NUEKZKHPSA-N	0	1	242.366	3.728	10	30		BHEEMN
CC(C)c1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1	ZINC000054828140	322857625	/nfs/dbraw/zinc/85/76/25/322857625.db2.gz	IQSYMBQINCQMTL-HZPDHXFCSA-N	0	1	242.366	3.592	10	30		BHEEMN
CC(C)c1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1	ZINC000054828143	322857469	/nfs/dbraw/zinc/85/74/69/322857469.db2.gz	IQSYMBQINCQMTL-CVEARBPZSA-N	0	1	242.366	3.592	10	30		BHEEMN
CC(C)c1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1	ZINC000054828147	384745158	/nfs/dbraw/zinc/74/51/58/384745158.db2.gz	IQSYMBQINCQMTL-JKSUJKDBSA-N	0	1	242.366	3.592	10	30		BHEEMN
CC(C)c1ccc(CN[C@H]2CCC[C@H]2C#N)cc1	ZINC000054828150	322857733	/nfs/dbraw/zinc/85/77/33/322857733.db2.gz	IQSYMBQINCQMTL-HOTGVXAUSA-N	0	1	242.366	3.592	10	30		BHEEMN
CC[C@H](N[C@@H]1CCCC[C@@H]1C#N)c1ccccc1	ZINC000054829214	344473884	/nfs/dbraw/zinc/47/38/84/344473884.db2.gz	CBLPPSLWARTNJB-OWCLPIDISA-N	0	1	242.366	3.810	10	30		BHEEMN
CC[C@H](N[C@H]1CCCC[C@@H]1C#N)c1ccccc1	ZINC000054829220	344473947	/nfs/dbraw/zinc/47/39/47/344473947.db2.gz	CBLPPSLWARTNJB-PMPSAXMXSA-N	0	1	242.366	3.810	10	30		BHEEMN
CC(C)C[C@H](C)N[C@@H](CC#N)c1ccccc1	ZINC000055016422	188127486	/nfs/dbraw/zinc/12/74/86/188127486.db2.gz	RCLIWBHOEMLDGT-ZFWWWQNUSA-N	0	1	230.355	3.666	10	30		BHEEMN
CC(C)C[C@H](C)N[C@H](CC#N)c1ccccc1	ZINC000055016426	188126831	/nfs/dbraw/zinc/12/68/31/188126831.db2.gz	RCLIWBHOEMLDGT-DZGCQCFKSA-N	0	1	230.355	3.666	10	30		BHEEMN
CCCN(CCC)[C@@H](CC#N)c1ccccc1	ZINC000055019931	169151371	/nfs/dbraw/zinc/15/13/71/169151371.db2.gz	AHZOXUCDNJVGRE-HNNXBMFYSA-N	0	1	230.355	3.763	10	30		BHEEMN
CCCN(CCC)[C@H](CC#N)c1ccccc1	ZINC000055019933	169152071	/nfs/dbraw/zinc/15/20/71/169152071.db2.gz	AHZOXUCDNJVGRE-OAHLLOKOSA-N	0	1	230.355	3.763	10	30		BHEEMN
CCCN(C(C)C)[C@@H](CC#N)c1ccccc1	ZINC000055020079	169049499	/nfs/dbraw/zinc/04/94/99/169049499.db2.gz	PJPHAZLXUYOJIF-HNNXBMFYSA-N	0	1	230.355	3.762	10	30		BHEEMN
CCCN(C(C)C)[C@H](CC#N)c1ccccc1	ZINC000055020081	169048821	/nfs/dbraw/zinc/04/88/21/169048821.db2.gz	PJPHAZLXUYOJIF-OAHLLOKOSA-N	0	1	230.355	3.762	10	30		BHEEMN
CCC[C@@H](C)N(C)[C@@H](CC#N)c1ccccc1	ZINC000055020186	169366299	/nfs/dbraw/zinc/36/62/99/169366299.db2.gz	LOUYDODYWVORLC-HIFRSBDPSA-N	0	1	230.355	3.762	10	30		BHEEMN
C[C@@H]1CCN([C@@H](CC#N)c2ccccc2)[C@H](C)C1	ZINC000055020703	176180548	/nfs/dbraw/zinc/18/05/48/176180548.db2.gz	GKYDASHXCJKFSC-FMKPAKJESA-N	0	1	242.366	3.762	10	30		BHEEMN
CC[C@H](N[C@@H]1CCC[C@@H]1C#N)c1ccc(F)cc1	ZINC000061891430	398107769	/nfs/dbraw/zinc/10/77/69/398107769.db2.gz	JFPTVNYNMQFHIY-VHDGCEQUSA-N	0	1	246.329	3.559	10	30		BHEEMN
CC[C@H](N[C@H]1CCC[C@@H]1C#N)c1ccc(F)cc1	ZINC000061891432	398108055	/nfs/dbraw/zinc/10/80/55/398108055.db2.gz	JFPTVNYNMQFHIY-SNPRPXQTSA-N	0	1	246.329	3.559	10	30		BHEEMN
CC(=N)Nc1c(Cl)cc(Cl)cc1Cl	ZINC000062986897	349863953	/nfs/dbraw/zinc/86/39/53/349863953.db2.gz	UKKBZGFIBASJBW-UHFFFAOYSA-N	0	1	237.517	3.655	10	30		BHEEMN
N=C(Nc1ccc(F)cc1Cl)c1ccccc1	ZINC000062988035	181183047	/nfs/dbraw/zinc/18/30/47/181183047.db2.gz	SPTWOLKKDMEKRQ-UHFFFAOYSA-N	0	1	248.688	3.516	10	30		BHEEMN
CCC(=N)Nc1c(Cl)ccc(C)c1Cl	ZINC000062988429	349868769	/nfs/dbraw/zinc/86/87/69/349868769.db2.gz	RVAVCJXZWVGZTQ-UHFFFAOYSA-N	0	1	231.126	3.701	10	30		BHEEMN
N#Cc1cc(-c2ccc(F)c(O)c2)ccc1Cl	ZINC000065341000	181081070	/nfs/dbraw/zinc/08/10/70/181081070.db2.gz	MOXJGALUHAXTLR-UHFFFAOYSA-N	0	1	247.656	3.723	10	30		BHEEMN
N#Cc1ccc(-c2ccc(O)c(Cl)c2)cc1	ZINC000065343074	181095508	/nfs/dbraw/zinc/09/55/08/181095508.db2.gz	DEXDMUWWVCTJRU-UHFFFAOYSA-N	0	1	229.666	3.584	10	30		BHEEMN
N#Cc1ccc(F)c(-c2ccc(O)c(Cl)c2)c1	ZINC000065343234	181112514	/nfs/dbraw/zinc/11/25/14/181112514.db2.gz	ATTKSOLXZYENKR-UHFFFAOYSA-N	0	1	247.656	3.723	10	30		BHEEMN
N#Cc1ccc(F)c(-c2ccc(Cl)c(O)c2)c1	ZINC000065343235	181113180	/nfs/dbraw/zinc/11/31/80/181113180.db2.gz	IITBKDAACZGQQX-UHFFFAOYSA-N	0	1	247.656	3.723	10	30		BHEEMN
C=C(Cl)Cc1cc(Cl)cc(Cl)c1O	ZINC000071783907	374286915	/nfs/dbraw/zinc/28/69/15/374286915.db2.gz	QPIPOOOXAAGTIH-UHFFFAOYSA-N	0	1	237.513	3.994	10	30		BHEEMN
CC[C@@]1(OC)C=CC(/N=C\c2ccccc2)=CC1	ZINC000071791067	171214519	/nfs/dbraw/zinc/21/45/19/171214519.db2.gz	HFSYKOPHVPRULB-UDLNKVAWSA-N	0	1	241.334	3.745	10	30		BHEEMN
C=CCNCc1c(Cl)cccc1C(F)(F)F	ZINC000083381803	398278147	/nfs/dbraw/zinc/27/81/47/398278147.db2.gz	PUTNEMCNGDRFND-UHFFFAOYSA-N	0	1	249.663	3.634	10	30		BHEEMN
C=CCn1c(N)c(CCCCC)nc1C(C)(C)C	ZINC000103501846	187363724	/nfs/dbraw/zinc/36/37/24/187363724.db2.gz	QCOQKZQABJGZAE-UHFFFAOYSA-N	0	1	249.402	3.682	10	30		BHEEMN
CC[C@@]1(OC)C=CC(/N=C/c2ccccc2)=CC1	ZINC000103692959	171214948	/nfs/dbraw/zinc/21/49/48/171214948.db2.gz	HFSYKOPHVPRULB-VAFHRPCXSA-N	0	1	241.334	3.745	10	30		BHEEMN
CCCCCCCCCCN(C)CCC#N	ZINC000104087547	388582195	/nfs/dbraw/zinc/58/21/95/388582195.db2.gz	PKVMKVDSGHQMBR-UHFFFAOYSA-N	0	1	224.392	3.973	10	30		BHEEMN
CC1(CN[C@@H](CC#N)c2ccccc2)CCCC1	ZINC000104449732	168043995	/nfs/dbraw/zinc/04/39/95/168043995.db2.gz	JVAZPEMZQOFZAJ-HNNXBMFYSA-N	0	1	242.366	3.811	10	30		BHEEMN
CC1(CN[C@H](CC#N)c2ccccc2)CCCC1	ZINC000104449735	168046580	/nfs/dbraw/zinc/04/65/80/168046580.db2.gz	JVAZPEMZQOFZAJ-OAHLLOKOSA-N	0	1	242.366	3.811	10	30		BHEEMN
CCCCCCCC(=O)C=C(O)C(C)C	ZINC000108308407	538075065	/nfs/dbraw/zinc/07/50/65/538075065.db2.gz	NJASAPXPNQBGNA-UHFFFAOYSA-N	0	1	212.333	3.531	10	30		BHEEMN
N#Cc1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1	ZINC000116653869	342931360	/nfs/dbraw/zinc/93/13/60/342931360.db2.gz	AMEDCWFRHRYVBY-UHFFFAOYSA-N	0	1	245.285	3.615	10	30		BHEEMN
Cc1ccc([C@@H]2CCCC[N@H+]2CCCCC#N)o1	ZINC000124680939	345048390	/nfs/dbraw/zinc/04/83/90/345048390.db2.gz	AIQBKCFFTCYEBD-AWEZNQCLSA-N	0	1	246.354	3.809	10	30		BHEEMN
Cc1ccc([C@H]2CCCC[N@H+]2CCCCC#N)o1	ZINC000124681109	345048454	/nfs/dbraw/zinc/04/84/54/345048454.db2.gz	AIQBKCFFTCYEBD-CQSZACIVSA-N	0	1	246.354	3.809	10	30		BHEEMN
CCc1ccc([C@@H]2CCCCN2CCCC#N)o1	ZINC000124891879	345056870	/nfs/dbraw/zinc/05/68/70/345056870.db2.gz	SIXAIBLRXKJOAM-AWEZNQCLSA-N	0	1	246.354	3.673	10	30		BHEEMN
CCc1ccc([C@H]2CCCCN2CCCC#N)o1	ZINC000124892088	345056696	/nfs/dbraw/zinc/05/66/96/345056696.db2.gz	SIXAIBLRXKJOAM-CQSZACIVSA-N	0	1	246.354	3.673	10	30		BHEEMN
C=C(Cl)CN[C@@H](C)c1ccc2c(c1)CCCC2	ZINC000130934825	591537430	/nfs/dbraw/zinc/53/74/30/591537430.db2.gz	JHOYIFDQUTYASY-LBPRGKRZSA-N	0	1	249.785	3.969	10	30		BHEEMN
C=C(Cl)CN[C@H](C)c1ccc2c(c1)CCCC2	ZINC000130935062	591536903	/nfs/dbraw/zinc/53/69/03/591536903.db2.gz	JHOYIFDQUTYASY-GFCCVEGCSA-N	0	1	249.785	3.969	10	30		BHEEMN
Cc1ccccc1[C@H](C)N[C@@H]1CCCC[C@H]1C#N	ZINC000148509806	346258864	/nfs/dbraw/zinc/25/88/64/346258864.db2.gz	IUKYXPOLYBQRAR-OFQRWUPVSA-N	0	1	242.366	3.728	10	30		BHEEMN
Cc1ccccc1[C@H](C)N[C@H]1CCCC[C@H]1C#N	ZINC000148510013	346258888	/nfs/dbraw/zinc/25/88/88/346258888.db2.gz	IUKYXPOLYBQRAR-DZKIICNBSA-N	0	1	242.366	3.728	10	30		BHEEMN
Cc1cccc([C@H](C)N[C@@H]2CCCC[C@@H]2C#N)c1	ZINC000160245582	398300777	/nfs/dbraw/zinc/30/07/77/398300777.db2.gz	KSLOUQXMHTXWPZ-NUEKZKHPSA-N	0	1	242.366	3.728	10	30		BHEEMN
Cc1cccc([C@H](C)N[C@H]2CCCC[C@@H]2C#N)c1	ZINC000160245702	355621459	/nfs/dbraw/zinc/62/14/59/355621459.db2.gz	KSLOUQXMHTXWPZ-IMJJTQAJSA-N	0	1	242.366	3.728	10	30		BHEEMN
Cc1cccc([C@H](C)N[C@@H]2CCCC[C@H]2C#N)c1	ZINC000160245815	355646112	/nfs/dbraw/zinc/64/61/12/355646112.db2.gz	KSLOUQXMHTXWPZ-CWRNSKLLSA-N	0	1	242.366	3.728	10	30		BHEEMN
Cc1cccc([C@H](C)N[C@H]2CCCC[C@H]2C#N)c1	ZINC000160245934	355646866	/nfs/dbraw/zinc/64/68/66/355646866.db2.gz	KSLOUQXMHTXWPZ-BPUTZDHNSA-N	0	1	242.366	3.728	10	30		BHEEMN
CCCCOc1ccc(C(=O)C(C)=CO)cc1	ZINC000211656338	349278121	/nfs/dbraw/zinc/27/81/21/349278121.db2.gz	QONCUSUCYGYLDM-ZHACJKMWSA-N	0	1	234.295	3.510	10	30		BHEEMN
CCC(=N)Nc1c(Cl)cc(F)cc1Cl	ZINC000215733329	371623704	/nfs/dbraw/zinc/62/37/04/371623704.db2.gz	NMYBSYGCEQJHIL-UHFFFAOYSA-N	0	1	235.089	3.531	10	30		BHEEMN
C/C(=N\O)c1cc(C(F)(F)F)ccc1Cl	ZINC000217582777	371981442	/nfs/dbraw/zinc/98/14/42/371981442.db2.gz	HIOZGBZHUIDORO-LHHJGKSTSA-N	0	1	237.608	3.557	10	30		BHEEMN
CCCCCCCCN[C@@H](C)c1ncc(C)o1	ZINC000220957437	592378707	/nfs/dbraw/zinc/37/87/07/592378707.db2.gz	GZKADBLTLZMTQU-ZDUSSCGKSA-N	0	1	238.375	3.994	10	30		BHEEMN
CCCCCCCCN[C@H](C)c1ncc(C)o1	ZINC000220957496	592379213	/nfs/dbraw/zinc/37/92/13/592379213.db2.gz	GZKADBLTLZMTQU-CYBMUJFWSA-N	0	1	238.375	3.994	10	30		BHEEMN
CCCCCCCN[C@@H](C)c1ncc(C)o1	ZINC000230642121	635489379	/nfs/dbraw/zinc/48/93/79/635489379.db2.gz	KJJNJPPFHVMXDF-LBPRGKRZSA-N	0	1	224.348	3.604	10	30		BHEEMN
CCCCCCCN[C@H](C)c1ncc(C)o1	ZINC000230642130	641075667	/nfs/dbraw/zinc/07/56/67/641075667.db2.gz	KJJNJPPFHVMXDF-GFCCVEGCSA-N	0	1	224.348	3.604	10	30		BHEEMN
CC[C@H](N[C@@H]1CCC[C@H]1C#N)c1ccc(F)cc1	ZINC000251068487	535935030	/nfs/dbraw/zinc/93/50/30/535935030.db2.gz	JFPTVNYNMQFHIY-AEGPPILISA-N	0	1	246.329	3.559	10	30		BHEEMN
CC[C@H](N[C@H]1CCC[C@H]1C#N)c1ccc(F)cc1	ZINC000251068490	535946563	/nfs/dbraw/zinc/94/65/63/535946563.db2.gz	JFPTVNYNMQFHIY-QEJZJMRPSA-N	0	1	246.329	3.559	10	30		BHEEMN
CC[C@H](N[C@@H]1CCCC[C@H]1C#N)c1ccccc1	ZINC000251173784	369707442	/nfs/dbraw/zinc/70/74/42/369707442.db2.gz	CBLPPSLWARTNJB-HRCADAONSA-N	0	1	242.366	3.810	10	30		BHEEMN
CC[C@H](N[C@H]1CCCC[C@H]1C#N)c1ccccc1	ZINC000251173788	369707594	/nfs/dbraw/zinc/70/75/94/369707594.db2.gz	CBLPPSLWARTNJB-JYJNAYRXSA-N	0	1	242.366	3.810	10	30		BHEEMN
CCC#C[C@@H](C)N[C@H](C)c1ccc(Cl)s1	ZINC000380132520	538985976	/nfs/dbraw/zinc/98/59/76/538985976.db2.gz	TWDYTJHANYYBDB-NXEZZACHSA-N	0	1	241.787	3.854	10	30		BHEEMN
CCC#C[C@H](C)N[C@H](C)c1ccc(Cl)s1	ZINC000380132521	538985880	/nfs/dbraw/zinc/98/58/80/538985880.db2.gz	TWDYTJHANYYBDB-VHSXEESVSA-N	0	1	241.787	3.854	10	30		BHEEMN
Oc1ccc(C(F)(F)F)c(F)c1C(F)(F)F	ZINC000396045694	344585639	/nfs/dbraw/zinc/58/56/39/344585639.db2.gz	CEAFSRGQGQKJKS-UHFFFAOYSA-N	0	1	248.097	3.569	10	30		BHEEMN
Oc1c(F)cc(C(F)(F)F)cc1C(F)(F)F	ZINC000396047193	344585860	/nfs/dbraw/zinc/58/58/60/344585860.db2.gz	FJWLWOOYVNFWBF-UHFFFAOYSA-N	0	1	248.097	3.569	10	30		BHEEMN
Oc1cc(F)c(C(F)(F)F)cc1C(F)(F)F	ZINC000396049128	344590151	/nfs/dbraw/zinc/59/01/51/344590151.db2.gz	IPXRPRCRNZVIGH-UHFFFAOYSA-N	0	1	248.097	3.569	10	30		BHEEMN
Oc1cc(C(F)(F)F)cc(F)c1C(F)(F)F	ZINC000396049954	344590063	/nfs/dbraw/zinc/59/00/63/344590063.db2.gz	JRRGPYULMVJYMS-UHFFFAOYSA-N	0	1	248.097	3.569	10	30		BHEEMN
Oc1cc(F)cc(C(F)(F)F)c1C(F)(F)F	ZINC000396050136	344589951	/nfs/dbraw/zinc/58/99/51/344589951.db2.gz	KCFKIKQPSZSEKO-UHFFFAOYSA-N	0	1	248.097	3.569	10	30		BHEEMN
Oc1c(C(F)(F)F)cc(F)cc1C(F)(F)F	ZINC000396051291	344590296	/nfs/dbraw/zinc/59/02/96/344590296.db2.gz	LWTXQGDFHPLHMJ-UHFFFAOYSA-N	0	1	248.097	3.569	10	30		BHEEMN
Oc1c(F)c(C(F)(F)F)ccc1C(F)(F)F	ZINC000396053625	344590068	/nfs/dbraw/zinc/59/00/68/344590068.db2.gz	PPDDAENJERAVKA-UHFFFAOYSA-N	0	1	248.097	3.569	10	30		BHEEMN
Oc1c(F)ccc(C(F)(F)F)c1C(F)(F)F	ZINC000396053692	356432638	/nfs/dbraw/zinc/43/26/38/356432638.db2.gz	PUQGXQKNGZWROP-UHFFFAOYSA-N	0	1	248.097	3.569	10	30		BHEEMN
Cc1scc(CN[C@@H]2CCCC[C@H]2C#N)c1C	ZINC000399838245	357071783	/nfs/dbraw/zinc/07/17/83/357071783.db2.gz	GNHXFXLNPTUCBP-GXTWGEPZSA-N	0	1	248.395	3.537	10	30		BHEEMN
Cc1scc(CN[C@H]2CCCC[C@H]2C#N)c1C	ZINC000399838246	357071698	/nfs/dbraw/zinc/07/16/98/357071698.db2.gz	GNHXFXLNPTUCBP-JSGCOSHPSA-N	0	1	248.395	3.537	10	30		BHEEMN
Cc1scc(CN[C@H]2CCCC[C@@H]2C#N)c1C	ZINC000399838247	357071717	/nfs/dbraw/zinc/07/17/17/357071717.db2.gz	GNHXFXLNPTUCBP-OCCSQVGLSA-N	0	1	248.395	3.537	10	30		BHEEMN
Cc1scc(CN[C@@H]2CCCC[C@@H]2C#N)c1C	ZINC000399838248	357071673	/nfs/dbraw/zinc/07/16/73/357071673.db2.gz	GNHXFXLNPTUCBP-TZMCWYRMSA-N	0	1	248.395	3.537	10	30		BHEEMN
N#Cc1ccccc1-c1ccc(O)c(Cl)c1	ZINC000536952599	323958964	/nfs/dbraw/zinc/95/89/64/323958964.db2.gz	FTJPNNCMPVMVDX-UHFFFAOYSA-N	0	1	229.666	3.584	10	30		BHEEMN
C=C(C)Cc1c(Cl)ccc(Cl)c1O	ZINC000575562502	386031124	/nfs/dbraw/zinc/03/11/24/386031124.db2.gz	DYQZVOWHWMPXCY-UHFFFAOYSA-N	0	1	217.095	3.818	10	30		BHEEMN
C=C(C)Cc1ccc(Cl)c(Cl)c1O	ZINC000575562562	387704122	/nfs/dbraw/zinc/70/41/22/387704122.db2.gz	JRJSWDPWAUCPGA-UHFFFAOYSA-N	0	1	217.095	3.818	10	30		BHEEMN
C=C(Cl)Cc1ccc(Cl)c(Cl)c1O	ZINC000575564508	387704294	/nfs/dbraw/zinc/70/42/94/387704294.db2.gz	QFTBZJALINUOEJ-UHFFFAOYSA-N	0	1	237.513	3.994	10	30		BHEEMN
C=CCc1c(O)c(Br)ccc1Cl	ZINC000575567272	387736153	/nfs/dbraw/zinc/73/61/53/387736153.db2.gz	PPVVSAUZTNOHLJ-UHFFFAOYSA-N	0	1	247.519	3.537	10	30		BHEEMN
C=C(F)C(C)C(=O)c1ccc(Cl)cc1	ZINC000584609724	358271059	/nfs/dbraw/zinc/27/10/59/358271059.db2.gz	XOSGPPWTBUGAIR-BQYQJAHWSA-N	0	1	212.651	3.786	10	30		BHEEMN
C=C(F)C(C)C(=O)c1ccc(Cl)cc1	ZINC000584611203	358275080	/nfs/dbraw/zinc/27/50/80/358275080.db2.gz	XOSGPPWTBUGAIR-FPLPWBNLSA-N	0	1	212.651	3.786	10	30		BHEEMN
C=CC/C(=N/O)c1ccc(Cl)cc1Cl	ZINC000584612705	358276376	/nfs/dbraw/zinc/27/63/76/358276376.db2.gz	FJGJHJJIEXPWCR-RAXLEYEMSA-N	0	1	230.094	3.748	10	30		BHEEMN
N#C[C@@H](CC(F)(F)F)c1ccccc1Cl	ZINC000584621374	358288438	/nfs/dbraw/zinc/28/84/38/358288438.db2.gz	ZJPRYSJVLURCTR-SSDOTTSWSA-N	0	1	233.620	3.900	10	30		BHEEMN
N#C[C@H](CC(F)(F)F)c1ccccc1Cl	ZINC000584621375	358288648	/nfs/dbraw/zinc/28/86/48/358288648.db2.gz	ZJPRYSJVLURCTR-ZETCQYMHSA-N	0	1	233.620	3.900	10	30		BHEEMN
N#CC(CC(F)(F)F)c1cccc(Cl)c1	ZINC000584621515	358289537	/nfs/dbraw/zinc/28/95/37/358289537.db2.gz	QZHURNOBXGCTKZ-MRVPVSSYSA-N	0	1	233.620	3.900	10	30		BHEEMN
N#CC(CC(F)(F)F)c1cccc(Cl)c1	ZINC000584621516	358289549	/nfs/dbraw/zinc/28/95/49/358289549.db2.gz	QZHURNOBXGCTKZ-QMMMGPOBSA-N	0	1	233.620	3.900	10	30		BHEEMN
CCCCCCCC(=O)CNCc1ccccc1	ZINC000685960423	538907534	/nfs/dbraw/zinc/90/75/34/538907534.db2.gz	KONNAQCHRBGQER-UHFFFAOYSA-N	0	1	247.382	3.706	10	30		BHEEMN