smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=C(O)S[C@@](C)(CCC(C)C)C1=O	ZINC000005882627	168087792	/nfs/dbraw/zinc/08/77/92/168087792.db2.gz	PHZLXCXCCBTFPS-NSHDSACASA-N	0	2	214.330	3.287	1	30		BGEFLN
CC1=C(O)S[C@](C)(CCC(C)C)C1=O	ZINC000005882656	168088480	/nfs/dbraw/zinc/08/84/80/168088480.db2.gz	PHZLXCXCCBTFPS-LLVKDONJSA-N	0	2	214.330	3.287	1	30		BGEFLN
CC(C)Cc1ccc([C@@H](C)C(=O)/C=N/O)cc1	ZINC000064475244	188304065	/nfs/dbraw/zinc/30/40/65/188304065.db2.gz	CBBFXBQUWYGYON-BTAWCLGRSA-N	0	2	233.311	3.018	1	30		BGEFLN
CC[C@H](C)C[C@@]1(C)SC(O)=C(C)C1=O	ZINC000101074610	171297028	/nfs/dbraw/zinc/29/70/28/171297028.db2.gz	CPLSPMXXSLTIHS-WRWORJQWSA-N	0	2	214.330	3.287	1	30		BGEFLN
CC[C@H](C)C[C@]1(C)SC(O)=C(C)C1=O	ZINC000101074613	171299067	/nfs/dbraw/zinc/29/90/67/171299067.db2.gz	CPLSPMXXSLTIHS-CPCISQLKSA-N	0	2	214.330	3.287	1	30		BGEFLN
CSc1c(S)cccc1CS	ZINC000086861310	175571831	/nfs/dbraw/zinc/57/18/31/175571831.db2.gz	RIUJEWJTEFCUBV-UHFFFAOYSA-N	0	2	202.369	3.127	2	30		BGEFLN
C=C(OC12CC3CC(CC(C3)C1)C2)C(C)=O	ZINC000205468651	388585157	/nfs/dbraw/zinc/58/51/57/388585157.db2.gz	CJHKCFSGWSADHJ-UHFFFAOYSA-N	0	2	220.312	3.075	2	30		BGEFLN
COc1ccc([C@H](C#N)C2CCC2)cc1OC	ZINC000205469203	388585151	/nfs/dbraw/zinc/58/51/51/388585151.db2.gz	KTWFHCDAZQQEES-GFCCVEGCSA-N	0	2	231.295	3.111	2	30		BGEFLN
COc1cc2c(c3ccccc13)C=CC2=O	ZINC000205481604	388585149	/nfs/dbraw/zinc/58/51/49/388585149.db2.gz	YOSSBDHKXSLRRX-UHFFFAOYSA-N	0	2	210.232	3.058	2	30		BGEFLN