smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O	ZINC000003932109	568963261	/nfs/dbraw/zinc/96/32/61/568963261.db2.gz	NEETXMRNUNEBRH-GOTXBORWSA-N	0	0	414.674	6.836	30	30		HKECRN
Cc1cccc(OCCS/C(=N/C#N)SCc2c(F)cccc2Cl)c1C	ZINC000015443967	558740298	/nfs/dbraw/zinc/74/02/98/558740298.db2.gz	OCIPXNSVCCRYRX-NMWGTECJSA-N	0	0	408.951	5.978	30	30		HKECRN
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@H]1O	ZINC000034661318	518656933	/nfs/dbraw/zinc/65/69/33/518656933.db2.gz	HKXBNHCUPKIYDM-BLKIPSJVSA-N	0	0	412.658	6.612	30	30	in-vitro	HKECRN
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@H](O)C2CC2)C[C@@H](O)C[C@@H]1O	ZINC000078372338	569058220	/nfs/dbraw/zinc/05/82/20/569058220.db2.gz	NQHWMFGCRBTMOO-DWCMLEBJSA-N	0	0	414.630	5.315	30	30		HKECRN
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O	ZINC000095644686	569352582	/nfs/dbraw/zinc/35/25/82/569352582.db2.gz	NQHWMFGCRBTMOO-AOLSRVLUSA-N	0	0	414.630	5.315	30	30		HKECRN
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@H](O)C4CC4)CC[C@H]23)C[C@@H](O)C[C@@H]1O	ZINC000095644687	569352587	/nfs/dbraw/zinc/35/25/87/569352587.db2.gz	NQHWMFGCRBTMOO-ZXQGAPLPSA-N	0	0	414.630	5.315	30	30		HKECRN