smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1coc2c1cc(O)c(Cl)c2Cl)c1ccccc1	ZINC000005681740	181271852	/nfs/dbraw/zinc/27/18/52/181271852.db2.gz	GEINLRAIIFOYLW-UHFFFAOYSA-N	0	2	307.132	4.676	1	0		DJAFLN
C[C@@H](COc1ccccc1)OC(=S)Nc1ccc(Cl)cc1	ZINC000040895987	183147481	/nfs/dbraw/zinc/14/74/81/183147481.db2.gz	OQUIMCSPCQISJD-LBPRGKRZSA-N	0	2	321.829	4.521	1	0		DJAFLN
Cc1nn(-c2cccc(C)c2)c2c1c(Cl)nc1ccccc21	ZINC000026746546	182452748	/nfs/dbraw/zinc/45/27/48/182452748.db2.gz	OMYBDFUBRCEEPA-UHFFFAOYSA-N	0	2	307.784	4.844	1	0		DJAFLN
COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)C[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000026747542	182452756	/nfs/dbraw/zinc/45/27/56/182452756.db2.gz	FAWYJKWTZBQTRU-AYIJCJCZSA-N	0	2	313.224	4.686	1	0		DJAFLN
O=c1c2c([nH]n1-c1cccc(Cl)c1)-c1ccccc1SC2	ZINC000100987454	193806520	/nfs/dbraw/zinc/80/65/20/193806520.db2.gz	HSXYHBXUSDRXIR-UHFFFAOYSA-N	0	2	314.797	4.504	1	0		DJAFLN
CC(C)(C)c1cc(-c2n[nH]c(=S)o2)cc(C(C)(C)C)c1O	ZINC000013826634	181903925	/nfs/dbraw/zinc/90/39/25/181903925.db2.gz	NLPCADSXKOYQIB-UHFFFAOYSA-N	0	2	306.431	4.700	1	0		DJAFLN
S=C(Nc1ccccc1)OCc1c(Cl)cccc1Cl	ZINC000040892161	183146247	/nfs/dbraw/zinc/14/62/47/183146247.db2.gz	KIMWTGVLXVKZBE-UHFFFAOYSA-N	0	2	312.221	4.907	1	0		DJAFLN
c1ccc(-c2nnc(NC34CC5CC(CC(C5)C3)C4)s2)cc1	ZINC000028654847	182534052	/nfs/dbraw/zinc/53/40/52/182534052.db2.gz	DGLIJMXKGKNROL-UHFFFAOYSA-N	0	2	311.454	4.586	1	0		DJAFLN
COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)C[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000026747547	182452582	/nfs/dbraw/zinc/45/25/82/182452582.db2.gz	FAWYJKWTZBQTRU-NFOTXUCKSA-N	0	2	313.224	4.686	1	0		DJAFLN
O=C([O-])c1cn2c(cc(-c3ccccc3)c3cc(Cl)ccc32)[nH+]1	ZINC000040465126	183071904	/nfs/dbraw/zinc/07/19/04/183071904.db2.gz	KMDPIDLYVHLIMD-UHFFFAOYSA-N	0	2	322.751	4.506	1	0		DJAFLN
C[C@H](COc1ccccc1)OC(=S)Nc1ccc(Cl)cc1	ZINC000040895990	183147236	/nfs/dbraw/zinc/14/72/36/183147236.db2.gz	OQUIMCSPCQISJD-GFCCVEGCSA-N	0	2	321.829	4.521	1	0		DJAFLN
O=c1cc(-c2ccc(-c3ccccc3)cc2)oc2cccc(O)c12	ZINC000096922783	185391800	/nfs/dbraw/zinc/39/18/00/185391800.db2.gz	BBQATSUGRGRBBM-UHFFFAOYSA-N	0	2	314.340	4.833	1	0		DJAFLN
COc1ccc2c(c1)O[C@H](c1cccc(CC=C(C)C)c1)CC2=O	ZINC000028653802	182533864	/nfs/dbraw/zinc/53/38/64/182533864.db2.gz	VKPMSWMZYVKLMW-FQEVSTJZSA-N	0	2	322.404	4.910	1	0		DJAFLN
C[C@]12CC[C@H](c3cc(Cl)c(O)c(Cl)c3)C[C@H]1CC[C@@H]2O	ZINC000066102044	184389503	/nfs/dbraw/zinc/38/95/03/184389503.db2.gz	NXQILPWJWJLHLT-CGAWENMCSA-N	0	2	315.240	4.744	1	0		DJAFLN