smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]/N=C/C(=C(/Cl)C(F)(F)F)c1ccccc1	ZINC000000165313	383838297	/nfs/dbraw/zinc/83/82/97/383838297.db2.gz	ADLJYFYSDNWAMU-GMLODJKISA-N	-1	1	249.619	3.659	10	30		BHEEMM
N#Cc1c([O-])c2ccccc2c2ccccc12	ZINC000003650474	188101515	/nfs/dbraw/zinc/10/15/15/188101515.db2.gz	UNCXGIQTDMNYMU-UHFFFAOYSA-N	-1	1	219.243	3.570	10	30		BHEEMM
[O-]/N=C\C(=C(/Cl)C(F)(F)F)c1ccccc1	ZINC000004695346	384076207	/nfs/dbraw/zinc/07/62/07/384076207.db2.gz	ADLJYFYSDNWAMU-PVKVHURSSA-N	-1	1	249.619	3.659	10	30		BHEEMM
CCCCCCCCCc1cc([O-])cc(=O)o1	ZINC000042764357	343450609	/nfs/dbraw/zinc/45/06/09/343450609.db2.gz	WOLKINVJRRXENQ-UHFFFAOYSA-N	-1	1	238.327	3.639	10	30		BHEEMM
C=CCc1cc(Cl)cc(Br)c1[O-]	ZINC000052064462	259372694	/nfs/dbraw/zinc/37/26/94/259372694.db2.gz	HMIGMHNBRNVRGO-UHFFFAOYSA-N	-1	1	247.519	3.537	10	30		BHEEMM
N#Cc1cc(-c2cc([O-])cc(F)c2)ccc1Cl	ZINC000065341002	181080749	/nfs/dbraw/zinc/08/07/49/181080749.db2.gz	FEBXUCDHUKTNAV-UHFFFAOYSA-N	-1	1	247.656	3.723	10	30		BHEEMM
Cc1ccc(-c2ccc(C#N)c([O-])c2)c(C)c1	ZINC000065341326	178322577	/nfs/dbraw/zinc/32/25/77/178322577.db2.gz	ZTAVNGAWJSIARN-UHFFFAOYSA-N	-1	1	223.275	3.548	10	30		BHEEMM
N#Cc1cc(-c2ccccc2Cl)ccc1[O-]	ZINC000065341385	181082011	/nfs/dbraw/zinc/08/20/11/181082011.db2.gz	MGKJJQCLBZAFNG-UHFFFAOYSA-N	-1	1	229.666	3.584	10	30		BHEEMM
N#Cc1ccc(-c2ccccc2Cl)cc1[O-]	ZINC000065341386	181095813	/nfs/dbraw/zinc/09/58/13/181095813.db2.gz	GKAOTLFCSJVASD-UHFFFAOYSA-N	-1	1	229.666	3.584	10	30		BHEEMM
N#Cc1cc(-c2cccc(Cl)c2)ccc1[O-]	ZINC000065341388	181081021	/nfs/dbraw/zinc/08/10/21/181081021.db2.gz	BVYLNODPKLYPLH-UHFFFAOYSA-N	-1	1	229.666	3.584	10	30		BHEEMM
N#Cc1ccc(-c2cccc(Cl)c2)cc1[O-]	ZINC000065341389	181095149	/nfs/dbraw/zinc/09/51/49/181095149.db2.gz	FSAJZRIXZDSKKG-UHFFFAOYSA-N	-1	1	229.666	3.584	10	30		BHEEMM
N#Cc1cc(-c2ccc(Cl)cc2)ccc1[O-]	ZINC000065341391	181080382	/nfs/dbraw/zinc/08/03/82/181080382.db2.gz	LOOZWPKQBJYPNF-UHFFFAOYSA-N	-1	1	229.666	3.584	10	30		BHEEMM
N#Cc1ccc(-c2ccc(Cl)cc2)cc1[O-]	ZINC000065341392	181095511	/nfs/dbraw/zinc/09/55/11/181095511.db2.gz	VSFRZKZHZPVUJK-UHFFFAOYSA-N	-1	1	229.666	3.584	10	30		BHEEMM
Cc1ccc(-c2ccc(C#N)c([O-])c2)c(Cl)c1	ZINC000065341479	178323125	/nfs/dbraw/zinc/32/31/25/178323125.db2.gz	HMIHNIBTDLFHFU-UHFFFAOYSA-N	-1	1	243.693	3.893	10	30		BHEEMM
Cc1ccc(-c2ccc(C#N)c([O-])c2)cc1Cl	ZINC000065341485	178323284	/nfs/dbraw/zinc/32/32/84/178323284.db2.gz	QUXMASMIFWZDQQ-UHFFFAOYSA-N	-1	1	243.693	3.893	10	30		BHEEMM
Cc1cc(Cl)cc(-c2ccc([O-])c(C#N)c2)c1	ZINC000065341487	178063636	/nfs/dbraw/zinc/06/36/36/178063636.db2.gz	BMHAKVDQHVZYIX-UHFFFAOYSA-N	-1	1	243.693	3.893	10	30		BHEEMM
Cc1cc(Cl)cc(-c2ccc(C#N)c([O-])c2)c1	ZINC000065341488	178063645	/nfs/dbraw/zinc/06/36/45/178063645.db2.gz	HSNGFKSVRJPZJW-UHFFFAOYSA-N	-1	1	243.693	3.893	10	30		BHEEMM
Cc1cc(Cl)ccc1-c1ccc(C#N)c([O-])c1	ZINC000065341491	178064695	/nfs/dbraw/zinc/06/46/95/178064695.db2.gz	IKSKYWNRKPLRLC-UHFFFAOYSA-N	-1	1	243.693	3.893	10	30		BHEEMM
N#Cc1cc(-c2cc(F)cc(Cl)c2)ccc1[O-]	ZINC000065341505	181080370	/nfs/dbraw/zinc/08/03/70/181080370.db2.gz	OQMSSUJLPGYCSS-UHFFFAOYSA-N	-1	1	247.656	3.723	10	30		BHEEMM
N#Cc1ccc(-c2cc(F)cc(Cl)c2)cc1[O-]	ZINC000065341506	181095539	/nfs/dbraw/zinc/09/55/39/181095539.db2.gz	FAGHGSDKLPYSKI-UHFFFAOYSA-N	-1	1	247.656	3.723	10	30		BHEEMM
N#Cc1cc(-c2ccc(F)c(Cl)c2)ccc1[O-]	ZINC000065341508	181081165	/nfs/dbraw/zinc/08/11/65/181081165.db2.gz	CLBGDLRRLBXPNN-UHFFFAOYSA-N	-1	1	247.656	3.723	10	30		BHEEMM
N#Cc1ccc(-c2ccc(F)c(Cl)c2)cc1[O-]	ZINC000065341509	181095243	/nfs/dbraw/zinc/09/52/43/181095243.db2.gz	HEQJRZCORPCQQO-UHFFFAOYSA-N	-1	1	247.656	3.723	10	30		BHEEMM
N#Cc1cccc(-c2ccc([O-])c(Cl)c2)c1	ZINC000065343068	187273976	/nfs/dbraw/zinc/27/39/76/187273976.db2.gz	KGIGYOVKKMMLFT-UHFFFAOYSA-N	-1	1	229.666	3.584	10	30		BHEEMM
N#Cc1cccc(-c2cc([O-])cc(Cl)c2)c1	ZINC000065343072	187274069	/nfs/dbraw/zinc/27/40/69/187274069.db2.gz	FPSHKIAAAUVLNN-UHFFFAOYSA-N	-1	1	229.666	3.584	10	30		BHEEMM
N#Cc1ccc(-c2ccc(Cl)c([O-])c2)cc1	ZINC000065343076	181095167	/nfs/dbraw/zinc/09/51/67/181095167.db2.gz	JLMMEPAGKKZRJI-UHFFFAOYSA-N	-1	1	229.666	3.584	10	30		BHEEMM
CCCCCCC=CC=CC=N[N-]N=O	ZINC000083923068	188297036	/nfs/dbraw/zinc/29/70/36/188297036.db2.gz	ZEPDNBQRELJMRH-SNUJAXHWSA-N	-1	1	209.293	3.896	10	30	in-vitro	BHEEMM
CC/C(=N\[O-])c1ccc(Cl)c(Cl)c1	ZINC000098192199	344519843	/nfs/dbraw/zinc/51/98/43/344519843.db2.gz	DRUZGZRQYGJQPJ-FMIVXFBMSA-N	-1	1	218.083	3.582	10	30		BHEEMM
[O-]/N=C\C(=C(\Cl)C(F)(F)F)c1ccccc1	ZINC000100039572	527588926	/nfs/dbraw/zinc/58/89/26/527588926.db2.gz	ADLJYFYSDNWAMU-TWCIDKHUSA-N	-1	1	249.619	3.659	10	30		BHEEMM
[O-]/N=C/C(=C(\Cl)C(F)(F)F)c1ccccc1	ZINC000100306625	384633743	/nfs/dbraw/zinc/63/37/43/384633743.db2.gz	ADLJYFYSDNWAMU-PVLPBTDDSA-N	-1	1	249.619	3.659	10	30		BHEEMM
C/C(=N/[O-])c1ccc(Cl)c(Cl)c1Cl	ZINC000108859827	187293048	/nfs/dbraw/zinc/29/30/48/187293048.db2.gz	MXPMSWCYSMRTCW-QCDXTXTGSA-N	-1	1	238.501	3.845	10	30		BHEEMM
Cc1cccc(C(=O)/C=C/c2cccs2)c1[O-]	ZINC000217852027	350075246	/nfs/dbraw/zinc/07/52/46/350075246.db2.gz	KUBQHDCUCNEWSX-BQYQJAHWSA-N	-1	1	244.315	3.658	10	30		BHEEMM
[O-]N=C/C(=C(/Cl)C(F)(F)F)c1ccccc1	ZINC000257350780	345772674	/nfs/dbraw/zinc/77/26/74/345772674.db2.gz	ADLJYFYSDNWAMU-GPKHQEQRSA-N	-1	1	249.619	3.659	10	30		BHEEMM
[O-]N=C/C(=C(\Cl)C(F)(F)F)c1ccccc1	ZINC000257350781	345772836	/nfs/dbraw/zinc/77/28/36/345772836.db2.gz	ADLJYFYSDNWAMU-HZKWKUAXSA-N	-1	1	249.619	3.659	10	30		BHEEMM
C=C(c1ccc([O-])c(Cl)c1)C(F)(F)F	ZINC000306862151	343887938	/nfs/dbraw/zinc/88/79/38/343887938.db2.gz	GZNOEMDVVBYADF-UHFFFAOYSA-N	-1	1	222.593	3.621	10	30		BHEEMM
[O-]c1cc(C(F)(F)F)c(C(F)(F)F)cc1F	ZINC000396045245	344585601	/nfs/dbraw/zinc/58/56/01/344585601.db2.gz	AWOLGBZEMNJHCK-UHFFFAOYSA-N	-1	1	248.097	3.569	10	30		BHEEMM
[O-]c1cc(C(F)(F)F)c(F)cc1C(F)(F)F	ZINC000396047787	344586396	/nfs/dbraw/zinc/58/63/96/344586396.db2.gz	GNAIEUGQSDHBJW-UHFFFAOYSA-N	-1	1	248.097	3.569	10	30		BHEEMM
[O-]c1cc(F)c(C(F)(F)F)c(C(F)(F)F)c1	ZINC000396048137	344586565	/nfs/dbraw/zinc/58/65/65/344586565.db2.gz	HKDFMMHLVFOIGD-UHFFFAOYSA-N	-1	1	248.097	3.569	10	30		BHEEMM
[O-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1F	ZINC000396051829	344590089	/nfs/dbraw/zinc/59/00/89/344590089.db2.gz	NIGYRHYEOHCYTP-UHFFFAOYSA-N	-1	1	248.097	3.569	10	30		BHEEMM
[O-]c1ccc(C(F)(F)F)c(C(F)(F)F)c1F	ZINC000396053664	344590950	/nfs/dbraw/zinc/59/09/50/344590950.db2.gz	PRLYYSQZFZBLKF-UHFFFAOYSA-N	-1	1	248.097	3.569	10	30		BHEEMM
[O-]c1ccc(F)c(C(F)(F)F)c1C(F)(F)F	ZINC000396057208	344589436	/nfs/dbraw/zinc/58/94/36/344589436.db2.gz	UJZIBQQDTKBNNP-UHFFFAOYSA-N	-1	1	248.097	3.569	10	30		BHEEMM
C/C(=C\C(=O)c1ccc([O-])cc1)CC(C)C	ZINC000504245560	527521703	/nfs/dbraw/zinc/52/17/03/527521703.db2.gz	ZMBMORSEJUWTHM-PKNBQFBNSA-N	-1	1	218.296	3.567	10	30		BHEEMM
CC/C(=N\[O-])c1ccc(Cl)cc1Cl	ZINC000575448351	386706042	/nfs/dbraw/zinc/70/60/42/386706042.db2.gz	BDWQQILTODMKJA-FMIVXFBMSA-N	-1	1	218.083	3.582	10	30		BHEEMM
C=C(C)Cc1c([O-])cc(Cl)cc1Cl	ZINC000575558469	387696980	/nfs/dbraw/zinc/69/69/80/387696980.db2.gz	RNHJUODQZZFZCV-UHFFFAOYSA-N	-1	1	217.095	3.818	10	30		BHEEMM
C=C(Cl)Cc1c(C)ccc(Cl)c1[O-]	ZINC000575564481	387703850	/nfs/dbraw/zinc/70/38/50/387703850.db2.gz	PCFDEFDMPKEQGS-UHFFFAOYSA-N	-1	1	217.095	3.649	10	30		BHEEMM
C=C(Cl)Cc1c([O-])cc(Cl)cc1Cl	ZINC000575566133	387733768	/nfs/dbraw/zinc/73/37/68/387733768.db2.gz	FMMSKWJTMGSWJD-UHFFFAOYSA-N	-1	1	237.513	3.994	10	30		BHEEMM
C/C(=C/C(=O)c1ccc([O-])cc1)CC(C)C	ZINC000575626977	387824533	/nfs/dbraw/zinc/82/45/33/387824533.db2.gz	ZMBMORSEJUWTHM-LUAWRHEFSA-N	-1	1	218.296	3.567	10	30		BHEEMM
C=CCOc1cc([O-])c(Cl)c2ccccc12	ZINC000584626871	387504061	/nfs/dbraw/zinc/50/40/61/387504061.db2.gz	FWCGXXPXFJWJEN-UHFFFAOYSA-N	-1	1	234.682	3.764	10	30		BHEEMM
CCCCCCC(C)(C)c1ccc(C#N)c(=O)[n-]1	ZINC000584632987	358316164	/nfs/dbraw/zinc/31/61/64/358316164.db2.gz	PWQXRMIQKVNSMZ-UHFFFAOYSA-N	-1	1	246.354	3.907	10	30		BHEEMM