smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#C[C@H]1CNC[C@H]1c1ccc(Cl)s1	ZINC000409424339	343817294	/nfs/dbraw/zinc/81/72/94/343817294.db2.gz	YQHXCYUTWVLZFZ-NKWVEPMBSA-N	0	3	212.705	2.228	40	30		BEEBHN
N#C[C@@H]1CNC[C@H]1c1cccc(Cl)c1	ZINC000210855437	350706195	/nfs/dbraw/zinc/70/61/95/350706195.db2.gz	OGEUGMIXYQUWHI-KOLCDFICSA-N	0	3	206.676	2.167	40	30		BEEBHN
N#C[C@H]1C2CCC(CC2)[C@@H]1N1CCCC1	ZINC000001603946	181068207	/nfs/dbraw/zinc/06/82/07/181068207.db2.gz	XPSZDEUMYCMSAL-TYUFSLCMSA-N	0	3	204.317	2.411	40	30		BEEBHN
O/N=C1/[C@H](Nc2ccncc2)[C@@H]2CC[C@H]1C2	ZINC000005949455	133446282	/nfs/dbraw/zinc/44/62/82/133446282.db2.gz	LGNHOVADPLGAFT-VTMFJQFCSA-N	0	3	217.272	2.122	40	30		BEEBHN
C=CCN1CC[C@H]2[C@@H]1CCN2c1cccc(C)n1	ZINC000096184330	166357847	/nfs/dbraw/zinc/35/78/47/166357847.db2.gz	CBAHGPIDRMSOFJ-KBPBESRZSA-N	0	3	243.354	2.229	40	30		BEEBHN
CCc1ccc([C@H]2CNC[C@@H]2C#N)cc1	ZINC000238285123	343254003	/nfs/dbraw/zinc/25/40/03/343254003.db2.gz	IUFKSZCTVSOPAA-QWHCGFSZSA-N	0	3	200.285	2.076	40	30		BEEBHN
O/N=C1/[C@H](N2CCCCC2)[C@@H]2CC[C@H]1C2	ZINC000005631007	346629285	/nfs/dbraw/zinc/62/92/85/346629285.db2.gz	IKOLZDMZXSLSMC-RXTFDWEFSA-N	0	3	208.305	2.101	40	30		BEEBHN
c1ccc(CC2CCN(C[C@H]3CO3)CC2)cc1	ZINC000036047777	183390642	/nfs/dbraw/zinc/39/06/42/183390642.db2.gz	KZETVBNJADWALK-HNNXBMFYSA-N	0	3	231.339	2.340	40	30		BEEBHN
C[C@]12CCN(Cc3ccccc3)C[C@H]1O2	ZINC000242574987	383904229	/nfs/dbraw/zinc/90/42/29/383904229.db2.gz	NNYIWPJHGHKXFZ-OLZOCXBDSA-N	0	3	203.285	2.050	40	30		BEEBHN
O/N=C1\[C@H](NCc2ccccc2)[C@@H]2CC[C@H]1C2	ZINC000100993730	384359250	/nfs/dbraw/zinc/35/92/50/384359250.db2.gz	JOGYSXHYVYBWNU-SAVHUXLCSA-N	0	3	230.311	2.405	40	30		BEEBHN
CN1CCC[C@H](C(=O)[C@H](C#N)c2ccccc2)C1	ZINC000245229637	388572258	/nfs/dbraw/zinc/57/22/58/388572258.db2.gz	CGUOZPJVGCSZKU-UONOGXRCSA-N	0	3	242.322	2.205	40	30		BEEBHN
CC1=C[C@@H](C)[C@H](/C=N/n2cnnc2)[C@H](C)C1	ZINC000004763518	168125122	/nfs/dbraw/zinc/12/51/22/168125122.db2.gz	UAUNHPQNZAJKTA-DUGLFAIXSA-N	0	3	218.304	2.350	40	30		BEEBHN
C=CCNCc1ccc(OC)c(OCC)c1	ZINC000008254336	386935830	/nfs/dbraw/zinc/93/58/30/386935830.db2.gz	YYFYGSOIOYMKLT-UHFFFAOYSA-N	0	3	221.300	2.370	40	30		BEEBHN
CN(C)CC[C@@](C)(C#N)c1ccccc1	ZINC000001687166	388587288	/nfs/dbraw/zinc/58/72/88/388587288.db2.gz	HQHDICLYVMSIDG-ZDUSSCGKSA-N	0	3	202.301	2.420	40	30		BEEBHN
C=CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccoc1	ZINC000096055797	166358207	/nfs/dbraw/zinc/35/82/07/166358207.db2.gz	OYOWHYFXEPYZON-UONOGXRCSA-N	0	3	232.327	2.114	40	30		BEEBHN
C=CCNC/C=C/c1ccc(OC)cc1	ZINC000071976841	166397426	/nfs/dbraw/zinc/39/74/26/166397426.db2.gz	FCWDJQLYNJKEAC-SNAWJCMRSA-N	0	3	203.285	2.484	40	30		BEEBHN
CCC1S/C(=N\c2ccc(F)cc2)NC1=O	ZINC000008337244	171152808	/nfs/dbraw/zinc/15/28/08/171152808.db2.gz	YNCOAHHZTLKACK-VIFPVBQESA-N	0	3	238.287	2.455	40	30		BEEBHN
c1ccc(CN2CCC[C@@]3(CO3)C2)cc1	ZINC000034133362	183398409	/nfs/dbraw/zinc/39/84/09/183398409.db2.gz	WZRMTDGROJMJMO-ZDUSSCGKSA-N	0	3	203.285	2.051	40	30		BEEBHN
[O-]/N=C(/CC[NH+]1CCCC1)c1ccccc1	ZINC000096298951	384449809	/nfs/dbraw/zinc/44/98/09/384449809.db2.gz	YQZXUOVPDCBDCE-YPKPFQOOSA-N	0	3	218.300	2.351	40	30		BEEBHN
C[C@@H]1C[C@@H]2O[C@@H]2[C@@H](C)N1Cc1ccccc1	ZINC000242677050	388576537	/nfs/dbraw/zinc/57/65/37/388576537.db2.gz	SWOCKUQKQLZKFN-MHDGFBEUSA-N	0	3	217.312	2.437	40	30		BEEBHN
CC(C)c1nccn1[C@H]1CCCN(C[C@H]2CO2)C1	ZINC000252486090	388653231	/nfs/dbraw/zinc/65/32/31/388653231.db2.gz	DZALLZYRMODTAK-STQMWFEESA-N	0	3	249.358	2.042	40	30		BEEBHN
COc1ccc(/C=C\C(=O)[C@@H](C)CN(C)C)cc1	ZINC000005662745	175048045	/nfs/dbraw/zinc/04/80/45/175048045.db2.gz	DPCBUFVPWPRVLC-UMAGTOLTSA-N	0	3	247.338	2.475	40	30		BEEBHN
CCCCCCCNCc1ccn(C)n1	ZINC000112339284	520057429	/nfs/dbraw/zinc/05/74/29/520057429.db2.gz	OBUSAPXTJAKINK-UHFFFAOYSA-N	0	3	209.337	2.480	40	30		BEEBHN
N#C[C@@H]1CNC[C@@H]1c1ccc(Cl)cc1	ZINC000259835538	343139172	/nfs/dbraw/zinc/13/91/72/343139172.db2.gz	XVELRIRIOAPYDD-MWLCHTKSSA-N	0	3	206.676	2.167	40	30		BEEBHN
c1ccc(CN2CCC[C@@H]2[C@H]2CO2)cc1	ZINC000242498450	345153979	/nfs/dbraw/zinc/15/39/79/345153979.db2.gz	HFUJCVASVOYEHA-CHWSQXEVSA-N	0	3	203.285	2.050	40	30		BEEBHN
N#Cc1c(-c2ccccc2)c[nH]c1NC=N	ZINC000001556575	181071688	/nfs/dbraw/zinc/07/16/88/181071688.db2.gz	ZGIAHPKWZDTRPW-UHFFFAOYSA-N	0	3	210.240	2.172	40	30		BEEBHN
Cc1ccc([C@@H]2CNC[C@H]2C#N)c(Cl)c1	ZINC000238522411	361139459	/nfs/dbraw/zinc/13/94/59/361139459.db2.gz	CUBLSXPEROIHSM-MWLCHTKSSA-N	0	3	220.703	2.475	40	30		BEEBHN
C=CCNCc1cc(OC)ccc1OCC	ZINC000095094940	384964097	/nfs/dbraw/zinc/96/40/97/384964097.db2.gz	SKZCEWQRMIZWNH-UHFFFAOYSA-N	0	3	221.300	2.370	40	30		BEEBHN
C=CCN1CCC[C@@H](c2ccc3c[nH]nc3n2)C1	ZINC000257341474	166355406	/nfs/dbraw/zinc/35/54/06/166355406.db2.gz	ZKMWGFQIWNUYSF-GFCCVEGCSA-N	0	3	242.326	2.323	40	30		BEEBHN
COc1ccc(/C=C/C(=O)[C@H](C)CN(C)C)cc1	ZINC000001590721	175047200	/nfs/dbraw/zinc/04/72/00/175047200.db2.gz	DPCBUFVPWPRVLC-OFFHKIPUSA-N	0	3	247.338	2.475	40	30		BEEBHN
CCCCCCCNCc1ccnn1C	ZINC000109216049	520057463	/nfs/dbraw/zinc/05/74/63/520057463.db2.gz	FYOKRJXLDLAWCY-UHFFFAOYSA-N	0	3	209.337	2.480	40	30		BEEBHN
C#C[C@@H](N)c1cccc(Br)c1	ZINC000083945136	166212372	/nfs/dbraw/zinc/21/23/72/166212372.db2.gz	GPGWWLMNQYBHNV-SECBINFHSA-N	0	3	210.074	2.082	40	30		BEEBHN
CN(C)CCC(=O)/C=C\c1ccccc1	ZINC000017019765	384825964	/nfs/dbraw/zinc/82/59/64/384825964.db2.gz	JLWRSVWWZYOKTL-HJWRWDBZSA-N	0	3	203.285	2.221	40	30		BEEBHN
CCc1c(C#N)c(Cl)nc2c1CN(C)CC2	ZINC000096511124	385248464	/nfs/dbraw/zinc/24/84/64/385248464.db2.gz	ZHJXNULWZFIEGJ-UHFFFAOYSA-N	0	3	235.718	2.157	40	30		BEEBHN
C=CCNCc1c(C)nn(CC2CC2)c1C	ZINC000575415211	387023618	/nfs/dbraw/zinc/02/36/18/387023618.db2.gz	ZSPBLHPVDIMVRY-UHFFFAOYSA-N	0	3	219.332	2.186	40	30		BEEBHN
CC(C)c1nccn1[C@@H]1CCCN(C[C@H]2CO2)C1	ZINC000252486089	388653461	/nfs/dbraw/zinc/65/34/61/388653461.db2.gz	DZALLZYRMODTAK-OLZOCXBDSA-N	0	3	249.358	2.042	40	30		BEEBHN
C=CCN1CCCC[C@H]1c1[nH]ncc1C	ZINC000257339144	166355867	/nfs/dbraw/zinc/35/58/67/166355867.db2.gz	ZAJGADVYCOVFIF-NSHDSACASA-N	0	3	205.305	2.431	40	30		BEEBHN
CC1CCN(CC#CCN2CCC(C)CC2)CC1	ZINC000001599824	168178034	/nfs/dbraw/zinc/17/80/34/168178034.db2.gz	SNISDSGGZVGUIM-UHFFFAOYSA-N	0	3	248.414	2.454	40	30		BEEBHN
CCC1S/C(=N\c2ccccc2)NC1=O	ZINC000006870818	171152621	/nfs/dbraw/zinc/15/26/21/171152621.db2.gz	HVYWOMFMDUXLSS-VIFPVBQESA-N	0	3	220.297	2.316	40	30		BEEBHN
CCCCCCCCNC(=O)CNC1CC1	ZINC000100889719	324184655	/nfs/dbraw/zinc/18/46/55/324184655.db2.gz	OUHZUVAFHICJMC-UHFFFAOYSA-N	0	3	226.364	2.215	40	30		BEEBHN
O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1Nc1ccncc1	ZINC000005949457	346633602	/nfs/dbraw/zinc/63/36/02/346633602.db2.gz	LGNHOVADPLGAFT-SJJAXASESA-N	0	3	217.272	2.122	40	30		BEEBHN
C=C(C)CNCc1ccc(OC)cc1OC	ZINC000071024864	188362463	/nfs/dbraw/zinc/36/24/63/188362463.db2.gz	XYTAJRYJKHIEHB-UHFFFAOYSA-N	0	3	221.300	2.370	40	30		BEEBHN
CN1CCC(O)(C#Cc2ccc(Cl)cc2)CC1	ZINC000003844229	355350570	/nfs/dbraw/zinc/35/05/70/355350570.db2.gz	JLPKOCQREUTVDF-UHFFFAOYSA-N	0	3	249.741	2.148	40	30		BEEBHN
C=CCN1CC[C@@H]2[C@H]1CCN2c1cccc(C)n1	ZINC000306124864	134160832	/nfs/dbraw/zinc/16/08/32/134160832.db2.gz	CBAHGPIDRMSOFJ-ZIAGYGMSSA-N	0	3	243.354	2.229	40	30		BEEBHN
c1ccc(CC2CCN(C[C@@H]3CO3)CC2)cc1	ZINC000036047776	183390141	/nfs/dbraw/zinc/39/01/41/183390141.db2.gz	KZETVBNJADWALK-OAHLLOKOSA-N	0	3	231.339	2.340	40	30		BEEBHN
CC1=CNC(=S)C(C#N)[C@H]1c1ccco1	ZINC000005416365	384113695	/nfs/dbraw/zinc/11/36/95/384113695.db2.gz	MXMWZCPTYVTIKO-WPRPVWTQSA-N	0	3	218.281	2.337	40	30		BEEBHN
CC1=CNC(=S)C(C#N)[C@@H]1c1ccco1	ZINC000005416361	384116159	/nfs/dbraw/zinc/11/61/59/384116159.db2.gz	MXMWZCPTYVTIKO-WCBMZHEXSA-N	0	3	218.281	2.337	40	30		BEEBHN
CN(C)CC[C@](C)(C#N)c1ccccc1	ZINC000008580271	384279459	/nfs/dbraw/zinc/27/94/59/384279459.db2.gz	HQHDICLYVMSIDG-CYBMUJFWSA-N	0	3	202.301	2.420	40	30		BEEBHN
CCN(CC)c1ccc(/C=N\N(C)C)cc1	ZINC000017046515	384477902	/nfs/dbraw/zinc/47/79/02/384477902.db2.gz	YUXALIRSFMBNJW-KAMYIIQDSA-N	0	3	219.332	2.428	40	30		BEEBHN
C#C[C@H](N)c1cccc(Br)c1	ZINC000083945134	166218937	/nfs/dbraw/zinc/21/89/37/166218937.db2.gz	GPGWWLMNQYBHNV-VIFPVBQESA-N	0	3	210.074	2.082	40	30		BEEBHN
C=CCN1CCC[C@H](c2ccc3c[nH]nc3n2)C1	ZINC000257341475	166356590	/nfs/dbraw/zinc/35/65/90/166356590.db2.gz	ZKMWGFQIWNUYSF-LBPRGKRZSA-N	0	3	242.326	2.323	40	30		BEEBHN
CN(C)C(C)(C)C#CC#Cc1ccccc1	ZINC000033408966	172393643	/nfs/dbraw/zinc/39/36/43/172393643.db2.gz	ROHKEOWBTVERNT-UHFFFAOYSA-N	0	3	211.308	2.382	40	30		BEEBHN
CCCCCCCNCc1cnc(N)nc1	ZINC000103596098	322974731	/nfs/dbraw/zinc/97/47/31/322974731.db2.gz	MSVXOZHERMILTB-UHFFFAOYSA-N	0	3	222.336	2.119	40	30		BEEBHN
N#C[C@H]1CNC[C@H]1c1ccc(Cl)cc1	ZINC000259835540	343139325	/nfs/dbraw/zinc/13/93/25/343139325.db2.gz	XVELRIRIOAPYDD-ONGXEEELSA-N	0	3	206.676	2.167	40	30		BEEBHN
CCc1ccc([C@H]2CNC[C@H]2C#N)cc1	ZINC000238285152	360781332	/nfs/dbraw/zinc/78/13/32/360781332.db2.gz	IUFKSZCTVSOPAA-CHWSQXEVSA-N	0	3	200.285	2.076	40	30		BEEBHN
N=C(N)N=NC1CCC(C2CCCCC2)CC1	ZINC000005413304	181322932	/nfs/dbraw/zinc/32/29/32/181322932.db2.gz	QSQSMPOFEWFBHY-UHFFFAOYSA-N	0	3	236.363	2.386	40	30		BEEBHN
CN1CCC[C@@H](C(=O)[C@H](C#N)c2ccccc2)C1	ZINC000245229638	388572762	/nfs/dbraw/zinc/57/27/62/388572762.db2.gz	CGUOZPJVGCSZKU-ZIAGYGMSSA-N	0	3	242.322	2.205	40	30		BEEBHN
CCc1ccc([C@@H]2CNC[C@@H]2C#N)cc1	ZINC000238280741	397921249	/nfs/dbraw/zinc/92/12/49/397921249.db2.gz	IUFKSZCTVSOPAA-STQMWFEESA-N	0	3	200.285	2.076	40	30		BEEBHN
C=CCN(CC=C)C[C@@H](N)c1ccccc1	ZINC000020071276	166336078	/nfs/dbraw/zinc/33/60/78/166336078.db2.gz	RVABMTMWVAKENT-CQSZACIVSA-N	0	3	216.328	2.360	40	30		BEEBHN
C=CCN1CCN(C(C)C)Cc2cccnc21	ZINC000096198892	166356042	/nfs/dbraw/zinc/35/60/42/166356042.db2.gz	PASTWRJKAQTLPE-UHFFFAOYSA-N	0	3	231.343	2.298	40	30		BEEBHN
CN1CC[C@H](CS)[C@H]1c1cccnc1	ZINC000022066966	173147498	/nfs/dbraw/zinc/14/74/98/173147498.db2.gz	YZZOQRDSBWHFON-GHMZBOCLSA-N	0	3	208.330	2.004	40	30	in-vitro	BEEBHN
N#C[C@H]1CNC[C@@H]1c1cccc(Cl)c1	ZINC000066345425	181070159	/nfs/dbraw/zinc/07/01/59/181070159.db2.gz	OGEUGMIXYQUWHI-GXSJLCMTSA-N	0	3	206.676	2.167	40	30		BEEBHN
CCN(CC)c1ccc(/C=N/N(C)C)cc1	ZINC000001761478	383934993	/nfs/dbraw/zinc/93/49/93/383934993.db2.gz	YUXALIRSFMBNJW-SDNWHVSQSA-N	0	3	219.332	2.428	40	30		BEEBHN
C=CC[NH2+]Cc1cccc(OCC)c1[O-]	ZINC000019875832	385514421	/nfs/dbraw/zinc/51/44/21/385514421.db2.gz	IXXPXKUFLGIUPG-UHFFFAOYSA-N	0	3	207.273	2.067	40	30		BEEBHN
C[C@@H]1CC(=O)C2=CN[C@H]3CCCC[C@H]3N=C2C1	ZINC000059349359	386479583	/nfs/dbraw/zinc/47/95/83/386479583.db2.gz	SVHUWFBDDWBBCJ-ZMLRMANQSA-N	0	3	232.327	2.225	40	30		BEEBHN
C=CCN(CC=C)C[C@H](N)c1ccccc1	ZINC000020071273	166334833	/nfs/dbraw/zinc/33/48/33/166334833.db2.gz	RVABMTMWVAKENT-AWEZNQCLSA-N	0	3	216.328	2.360	40	30		BEEBHN
C=CCN(CC=C)[C@@H](CO)Cc1ccccc1	ZINC000095951339	166337141	/nfs/dbraw/zinc/33/71/41/166337141.db2.gz	GDSPMISVPTWDFR-OAHLLOKOSA-N	0	3	231.339	2.264	40	30		BEEBHN
CC(C)c1ccc(C(=NNC(=N)N)C2CC2)cc1	ZINC000017328278	167583024	/nfs/dbraw/zinc/58/30/24/167583024.db2.gz	UNJATMVAKPAVOV-GHRIWEEISA-N	0	3	244.342	2.198	40	30		BEEBHN
N#C[C@@H]1CNC[C@H]1c1ccc(Cl)s1	ZINC000409424341	343817206	/nfs/dbraw/zinc/81/72/06/343817206.db2.gz	YQHXCYUTWVLZFZ-RNFRBKRXSA-N	0	3	212.705	2.228	40	30		BEEBHN
C[C@@]12CCN(Cc3ccccc3)C[C@@H]1O2	ZINC000038875999	349261207	/nfs/dbraw/zinc/26/12/07/349261207.db2.gz	NNYIWPJHGHKXFZ-QWHCGFSZSA-N	0	3	203.285	2.050	40	30		BEEBHN
N=C1C=CC(=NCc2ccc(N)cc2)C=C1	ZINC000001677284	181206817	/nfs/dbraw/zinc/20/68/17/181206817.db2.gz	KUUJKGQZBVGDPE-UHFFFAOYSA-N	0	3	211.268	2.356	40	30		BEEBHN
CC(C)c1ccc(C(=NNC(=N)N)C2CC2)cc1	ZINC000005963392	384141177	/nfs/dbraw/zinc/14/11/77/384141177.db2.gz	UNJATMVAKPAVOV-LGMDPLHJSA-N	0	3	244.342	2.198	40	30		BEEBHN
C[C@@H]1C[C@@H]2O[C@@H]2[C@H](C)N1Cc1ccccc1	ZINC000242677052	388576519	/nfs/dbraw/zinc/57/65/19/388576519.db2.gz	SWOCKUQKQLZKFN-UVLXDEKHSA-N	0	3	217.312	2.437	40	30		BEEBHN
C[C@@H]1CC(=O)C2=CN[C@@H]3CCCC[C@@H]3N=C2C1	ZINC000227099535	388740678	/nfs/dbraw/zinc/74/06/78/388740678.db2.gz	SVHUWFBDDWBBCJ-WCQGTBRESA-N	0	3	232.327	2.225	40	30		BEEBHN
C[C@@H]1CC(=O)C2=CN[C@@H]3CCCC[C@H]3N=C2C1	ZINC000252180496	388762028	/nfs/dbraw/zinc/76/20/28/388762028.db2.gz	SVHUWFBDDWBBCJ-MVWJERBFSA-N	0	3	232.327	2.225	40	30		BEEBHN
C#C[C@H](N)c1ccc(Br)cc1	ZINC000083944910	166218511	/nfs/dbraw/zinc/21/85/11/166218511.db2.gz	ZSWRRJTWKKLTOP-VIFPVBQESA-N	0	3	210.074	2.082	40	30		BEEBHN
C=CCNC/C=C/c1ccccc1OC	ZINC000067799772	166397213	/nfs/dbraw/zinc/39/72/13/166397213.db2.gz	JIHMLMFQXCNKTO-SOFGYWHQSA-N	0	3	203.285	2.484	40	30		BEEBHN
CC1=C[C@@H](C)[C@@H](/C=N/n2cnnc2)[C@H](C)C1	ZINC000105211390	168125259	/nfs/dbraw/zinc/12/52/59/168125259.db2.gz	UAUNHPQNZAJKTA-BNWCWDABSA-N	0	3	218.304	2.350	40	30		BEEBHN
COc1ccc(/C=C/C(=O)[C@@H](C)CN(C)C)cc1	ZINC000001590719	175047596	/nfs/dbraw/zinc/04/75/96/175047596.db2.gz	DPCBUFVPWPRVLC-PMDBQALLSA-N	0	3	247.338	2.475	40	30		BEEBHN
COc1ccc(/C=C\C(=O)[C@H](C)CN(C)C)cc1	ZINC000005662746	175048008	/nfs/dbraw/zinc/04/80/08/175048008.db2.gz	DPCBUFVPWPRVLC-MQGYJPLLSA-N	0	3	247.338	2.475	40	30		BEEBHN
Cc1ccc([C@H]2CNC[C@@H]2C#N)c(Cl)c1	ZINC000238547352	487667419	/nfs/dbraw/zinc/66/74/19/487667419.db2.gz	CUBLSXPEROIHSM-ONGXEEELSA-N	0	3	220.703	2.475	40	30		BEEBHN
N#C[C@@H]1CNC[C@H]1c1ccc(Cl)cc1	ZINC000259835536	343139145	/nfs/dbraw/zinc/13/91/45/343139145.db2.gz	XVELRIRIOAPYDD-KOLCDFICSA-N	0	3	206.676	2.167	40	30		BEEBHN
C[C@@H]1CC(=O)C2=CN[C@H]3CCCC[C@@H]3N=C2C1	ZINC000016971498	136275186	/nfs/dbraw/zinc/27/51/86/136275186.db2.gz	SVHUWFBDDWBBCJ-DLOVCJGASA-N	0	3	232.327	2.225	40	30		BEEBHN
N#C[C@@H]1CNC[C@@H]1c1ccc(Cl)s1	ZINC000409424343	343817139	/nfs/dbraw/zinc/81/71/39/343817139.db2.gz	YQHXCYUTWVLZFZ-RQJHMYQMSA-N	0	3	212.705	2.228	40	30		BEEBHN
CCCCNC(=S)NCCN1CCCCC1	ZINC000008677177	346300001	/nfs/dbraw/zinc/30/00/01/346300001.db2.gz	LTZKCHHZMNMGSA-UHFFFAOYSA-N	0	3	243.420	2.148	40	30		BEEBHN
O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1N1CCCCC1	ZINC000005631008	346628885	/nfs/dbraw/zinc/62/88/85/346628885.db2.gz	IKOLZDMZXSLSMC-HEPGVISRSA-N	0	3	208.305	2.101	40	30		BEEBHN
C=CCNCc1ccc(OCC)c(OC)c1	ZINC000002526624	384509837	/nfs/dbraw/zinc/50/98/37/384509837.db2.gz	FFZIJLWVBRMMPK-UHFFFAOYSA-N	0	3	221.300	2.370	40	30		BEEBHN
C=CCNCc1ccc(O)c(OCC)c1	ZINC000019875731	385514103	/nfs/dbraw/zinc/51/41/03/385514103.db2.gz	DOMMGTJWAVNKJZ-UHFFFAOYSA-N	0	3	207.273	2.067	40	30		BEEBHN
CC1=C[C@@H](C)[C@H](/C=N/n2cnnc2)[C@@H](C)C1	ZINC000004763521	168125132	/nfs/dbraw/zinc/12/51/32/168125132.db2.gz	UAUNHPQNZAJKTA-ZLLDIHTLSA-N	0	3	218.304	2.350	40	30		BEEBHN
CC1CCN([C@@H]2CCCC/C2=N/O)CC1	ZINC000100965248	168185319	/nfs/dbraw/zinc/18/53/19/168185319.db2.gz	KLOKLUMBWWPART-NPRUJURCSA-N	0	3	210.321	2.491	40	30		BEEBHN
N#C[C@H]1CNC[C@@H]1c1ccc(Cl)s1	ZINC000409424337	343817182	/nfs/dbraw/zinc/81/71/82/343817182.db2.gz	YQHXCYUTWVLZFZ-BQBZGAKWSA-N	0	3	212.705	2.228	40	30		BEEBHN
C[C@@H]1C[C@H]2O[C@H]2CN1Cc1ccccc1	ZINC000196232253	368307009	/nfs/dbraw/zinc/30/70/09/368307009.db2.gz	IUFYWRRPHWWKRY-RTXFEEFZSA-N	0	3	203.285	2.048	40	30		BEEBHN
c1ccc(CN2CCC[C@]3(CO3)C2)cc1	ZINC000034133360	183398097	/nfs/dbraw/zinc/39/80/97/183398097.db2.gz	WZRMTDGROJMJMO-CYBMUJFWSA-N	0	3	203.285	2.051	40	30		BEEBHN
N#C[C@@H]1C2CCC(CC2)[C@@H]1N1CCCC1	ZINC000001603944	383913385	/nfs/dbraw/zinc/91/33/85/383913385.db2.gz	XPSZDEUMYCMSAL-TUUUFIMRSA-N	0	3	204.317	2.411	40	30		BEEBHN
O/N=C1/Cc2ccccc2[C@H]1N1CCCC1	ZINC000005903703	384138227	/nfs/dbraw/zinc/13/82/27/384138227.db2.gz	ZZMCSCZYIWMKIV-NXXVSJRMSA-N	0	3	216.284	2.210	40	30		BEEBHN
C#C[C@@H](N)c1ccccc1Br	ZINC000083946525	166212454	/nfs/dbraw/zinc/21/24/54/166212454.db2.gz	ABCFXAALVLPWBV-SECBINFHSA-N	0	3	210.074	2.082	40	30		BEEBHN
C=CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccc(C)o1	ZINC000096055800	166359755	/nfs/dbraw/zinc/35/97/55/166359755.db2.gz	QJAHKOLKGLQAIF-LSDHHAIUSA-N	0	3	246.354	2.423	40	30		BEEBHN
CC1CCN([C@H]2CCCC/C2=N/O)CC1	ZINC000100965249	168188079	/nfs/dbraw/zinc/18/80/79/168188079.db2.gz	KLOKLUMBWWPART-KLDSGFLGSA-N	0	3	210.321	2.491	40	30		BEEBHN
C[C@H]1CCCN(CC#CCN2CCC[C@H](C)C2)C1	ZINC000005742841	177096121	/nfs/dbraw/zinc/09/61/21/177096121.db2.gz	JLVLYPRQDMRODM-HOTGVXAUSA-N	0	3	248.414	2.454	40	30		BEEBHN
C#C[C@@H](N)c1ccc(Br)cc1	ZINC000083944912	166212389	/nfs/dbraw/zinc/21/23/89/166212389.db2.gz	ZSWRRJTWKKLTOP-SECBINFHSA-N	0	3	210.074	2.082	40	30		BEEBHN
Cc1cccc(C(=O)ON=C2CCN(C)CC2)c1	ZINC000005364346	179026255	/nfs/dbraw/zinc/02/62/55/179026255.db2.gz	CNAGZHSACQJYGZ-UHFFFAOYSA-N	0	3	246.310	2.233	40	30		BEEBHN
C[N+](=O)Cc1c([O-])ccc2ccccc21	ZINC000005553855	188103413	/nfs/dbraw/zinc/10/34/13/188103413.db2.gz	CQSLPDYJHKPRPK-MDWZMJQESA-N	0	3	201.225	2.104	40	30		BEEBHN
CC(=NNC(=N)N)c1ccc(Cl)cc1Cl	ZINC000013140526	371014538	/nfs/dbraw/zinc/01/45/38/371014538.db2.gz	HTTXEKCZUKHDEX-LHHJGKSTSA-N	0	3	245.113	2.200	40	30		BEEBHN
CC(=NNC(=N)N)c1ccc(Cl)cc1Cl	ZINC000000130055	384266535	/nfs/dbraw/zinc/26/65/35/384266535.db2.gz	HTTXEKCZUKHDEX-RZNTYIFUSA-N	0	3	245.113	2.200	40	30		BEEBHN
O/N=C1/[C@H]2CC[C@H](C2)[C@@H]1NCc1ccccc1	ZINC000100993731	384359953	/nfs/dbraw/zinc/35/99/53/384359953.db2.gz	JOGYSXHYVYBWNU-WTWOXWAJSA-N	0	3	230.311	2.405	40	30		BEEBHN
N#C[C@@H]1C2CCC(CC2)[C@H]1N1CCCC1	ZINC000001603945	322810356	/nfs/dbraw/zinc/81/03/56/322810356.db2.gz	XPSZDEUMYCMSAL-FIYWTHMPSA-N	0	3	204.317	2.411	40	30		BEEBHN
C[C@@H]1C[C@@H]2O[C@@H]2CN1Cc1ccccc1	ZINC000252488530	388653314	/nfs/dbraw/zinc/65/33/14/388653314.db2.gz	IUFYWRRPHWWKRY-KGYLQXTDSA-N	0	3	203.285	2.048	40	30		BEEBHN
C#C[C@H](N)c1ccccc1Br	ZINC000083946524	166218808	/nfs/dbraw/zinc/21/88/08/166218808.db2.gz	ABCFXAALVLPWBV-VIFPVBQESA-N	0	3	210.074	2.082	40	30		BEEBHN
C=CCN1CCCC[C@@H]1c1[nH]ncc1C	ZINC000257339143	166352601	/nfs/dbraw/zinc/35/26/01/166352601.db2.gz	ZAJGADVYCOVFIF-LLVKDONJSA-N	0	3	205.305	2.431	40	30		BEEBHN
C=CCN1CC[C@@H]2[C@@H]1CCN2c1cccc(C)n1	ZINC000107198988	166358033	/nfs/dbraw/zinc/35/80/33/166358033.db2.gz	CBAHGPIDRMSOFJ-UONOGXRCSA-N	0	3	243.354	2.229	40	30		BEEBHN
C=CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccco1	ZINC000096055795	166358265	/nfs/dbraw/zinc/35/82/65/166358265.db2.gz	BGTZDSAYKBMBEQ-UONOGXRCSA-N	0	3	232.327	2.114	40	30		BEEBHN
CN1CCC[C@H](C(=O)[C@@H](C#N)c2ccccc2)C1	ZINC000004355866	173038149	/nfs/dbraw/zinc/03/81/49/173038149.db2.gz	CGUOZPJVGCSZKU-KBPBESRZSA-N	0	3	242.322	2.205	40	30		BEEBHN
C[N+](=O)Cc1c([O-])ccc2ccccc21	ZINC000016941380	342917447	/nfs/dbraw/zinc/91/74/47/342917447.db2.gz	CQSLPDYJHKPRPK-JYRVWZFOSA-N	0	3	201.225	2.104	40	30		BEEBHN
CCC1S/C(=N\c2ccc(F)cc2)NC1=O	ZINC000008326499	346675498	/nfs/dbraw/zinc/67/54/98/346675498.db2.gz	YNCOAHHZTLKACK-SECBINFHSA-N	0	3	238.287	2.455	40	30		BEEBHN
N#C[C@H]1CNC[C@H]1c1cccc(Cl)c1	ZINC000210855411	350706176	/nfs/dbraw/zinc/70/61/76/350706176.db2.gz	OGEUGMIXYQUWHI-ONGXEEELSA-N	0	3	206.676	2.167	40	30		BEEBHN
C=CCN(CC=C)[C@H](CO)Cc1ccccc1	ZINC000038874852	166336936	/nfs/dbraw/zinc/33/69/36/166336936.db2.gz	GDSPMISVPTWDFR-HNNXBMFYSA-N	0	3	231.339	2.264	40	30		BEEBHN
N#C[C@H]1C2CCC(CC2)[C@H]1N1CCCC1	ZINC000001603947	181067111	/nfs/dbraw/zinc/06/71/11/181067111.db2.gz	XPSZDEUMYCMSAL-IFWUJCSASA-N	0	3	204.317	2.411	40	30		BEEBHN
Cc1ccc([C@@H]2CNC[C@@H]2C#N)c(Cl)c1	ZINC000238521872	541309782	/nfs/dbraw/zinc/30/97/82/541309782.db2.gz	CUBLSXPEROIHSM-GXSJLCMTSA-N	0	3	220.703	2.475	40	30		BEEBHN
c1ccc(CN2CCC[C@H]2[C@@H]2CO2)cc1	ZINC000217532607	183399090	/nfs/dbraw/zinc/39/90/90/183399090.db2.gz	HFUJCVASVOYEHA-STQMWFEESA-N	0	3	203.285	2.050	40	30		BEEBHN
CCc1ccc([C@@H]2CNC[C@H]2C#N)cc1	ZINC000238280785	397921302	/nfs/dbraw/zinc/92/13/02/397921302.db2.gz	IUFKSZCTVSOPAA-OLZOCXBDSA-N	0	3	200.285	2.076	40	30		BEEBHN
C=CCN(CC=C)CCN(CC=C)CC=C	ZINC000019366518	166333876	/nfs/dbraw/zinc/33/38/76/166333876.db2.gz	QJFMXJDSWJZAAL-UHFFFAOYSA-N	0	3	220.360	2.334	40	30		BEEBHN
CN1CCc2c(C#N)c(Cl)nc(C3CC3)c2C1	ZINC000096509707	173168096	/nfs/dbraw/zinc/16/80/96/173168096.db2.gz	ATRVUWHBZSSBGP-UHFFFAOYSA-N	0	3	247.729	2.472	40	30		BEEBHN
CCC1S/C(=N\c2ccccc2)NC1=O	ZINC000006870760	342785425	/nfs/dbraw/zinc/78/54/25/342785425.db2.gz	HVYWOMFMDUXLSS-SECBINFHSA-N	0	3	220.297	2.316	40	30		BEEBHN
CC1=CNC(=S)C(C#N)[C@@H]1c1ccco1	ZINC000005416356	384115044	/nfs/dbraw/zinc/11/50/44/384115044.db2.gz	MXMWZCPTYVTIKO-PSASIEDQSA-N	0	3	218.281	2.337	40	30		BEEBHN
O/N=C1/Cc2ccccc2[C@@H]1N1CCCC1	ZINC000005903718	384137018	/nfs/dbraw/zinc/13/70/18/384137018.db2.gz	ZZMCSCZYIWMKIV-BSHRGCEOSA-N	0	3	216.284	2.210	40	30		BEEBHN
C=CCN1CC[C@H]2[C@H]1CCN2c1cccc(C)n1	ZINC000096184329	385040456	/nfs/dbraw/zinc/04/04/56/385040456.db2.gz	CBAHGPIDRMSOFJ-KGLIPLIRSA-N	0	3	243.354	2.229	40	30		BEEBHN
C=CCNCc1cc2cc(C)cc(C)c2[nH]c1=O	ZINC000004130499	387496608	/nfs/dbraw/zinc/49/66/08/387496608.db2.gz	ZPMMUBBQGZGJRS-UHFFFAOYSA-N	0	3	242.322	2.421	40	30		BEEBHN
c1ccc(CN2CCC[C@H]2[C@H]2CO2)cc1	ZINC000242498451	388838099	/nfs/dbraw/zinc/83/80/99/388838099.db2.gz	HFUJCVASVOYEHA-QWHCGFSZSA-N	0	3	203.285	2.050	40	30		BEEBHN
CCCCC(=NNC(=N)N)c1ccc(F)cc1	ZINC000004804252	342752415	/nfs/dbraw/zinc/75/24/15/342752415.db2.gz	DFCSMZLIPXUWKR-LFIBNONCSA-N	0	3	236.294	2.203	40	30		BEEBHN
CC1=CNC(=S)C(C#N)[C@H]1c1ccco1	ZINC000005416358	342763628	/nfs/dbraw/zinc/76/36/28/342763628.db2.gz	MXMWZCPTYVTIKO-SCZZXKLOSA-N	0	3	218.281	2.337	40	30		BEEBHN
CCN1C=C2C(=O)CC(C)(C)CC2=NCC1	ZINC000020674254	342992603	/nfs/dbraw/zinc/99/26/03/342992603.db2.gz	WNPQEDHTRRYYNR-UHFFFAOYSA-N	0	3	220.316	2.036	40	30		BEEBHN
N#C[C@H]1CNC[C@@H]1c1ccc(Cl)cc1	ZINC000259835534	343139511	/nfs/dbraw/zinc/13/95/11/343139511.db2.gz	XVELRIRIOAPYDD-GXSJLCMTSA-N	0	3	206.676	2.167	40	30		BEEBHN
N#C[C@@H]1CNC[C@@H]1c1cccc(Cl)c1	ZINC000210855467	350706204	/nfs/dbraw/zinc/70/62/04/350706204.db2.gz	OGEUGMIXYQUWHI-MWLCHTKSSA-N	0	3	206.676	2.167	40	30		BEEBHN
CN1CCC[C@@H](C(=O)[C@@H](C#N)c2ccccc2)C1	ZINC000004355868	188102203	/nfs/dbraw/zinc/10/22/03/188102203.db2.gz	CGUOZPJVGCSZKU-KGLIPLIRSA-N	0	3	242.322	2.205	40	30		BEEBHN
c1ccc(CN2CCC[C@@H]2[C@@H]2CO2)cc1	ZINC000217532528	183398684	/nfs/dbraw/zinc/39/86/84/183398684.db2.gz	HFUJCVASVOYEHA-OLZOCXBDSA-N	0	3	203.285	2.050	40	30		BEEBHN
C=CCN1CCN(CC2CC2)Cc2cccnc21	ZINC000096060962	166354599	/nfs/dbraw/zinc/35/45/99/166354599.db2.gz	IZILLBMBZRWSTL-UHFFFAOYSA-N	0	3	243.354	2.300	40	30		BEEBHN
C=CCN1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1	ZINC000257323606	166360205	/nfs/dbraw/zinc/36/02/05/166360205.db2.gz	WLBIQXPUKFZGJF-VHDGCEQUSA-N	0	3	244.338	2.357	40	30		BEEBHN
Cc1ccc([C@H]2CNC[C@H]2C#N)c(Cl)c1	ZINC000238547688	487667234	/nfs/dbraw/zinc/66/72/34/487667234.db2.gz	CUBLSXPEROIHSM-KOLCDFICSA-N	0	3	220.703	2.475	40	30		BEEBHN
CCCCCCCC(=O)N1CCCNCC1	ZINC000059082147	519960685	/nfs/dbraw/zinc/96/06/85/519960685.db2.gz	WEAWKCSUTRFBHY-UHFFFAOYSA-N	0	3	226.364	2.169	40	30		BEEBHN