smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc(CC(=O)[O-])c(C#N)cc1S	ZINC000396162697	344634725	/nfs/dbraw/zinc/63/47/25/344634725.db2.gz	QRSZJPYJLWFUGG-UHFFFAOYSA-N	-1	2	221.281	2.036	10	30		BEEELM
CCc1cc(C#N)cc(S)c1CC(=O)[O-]	ZINC000396151730	344624160	/nfs/dbraw/zinc/62/41/60/344624160.db2.gz	ANGOUDFJXBMYFL-UHFFFAOYSA-N	-1	2	221.281	2.036	10	30		BEEELM
CC(C)c1[nH]c(=O)c(C#N)c(C(=O)[O-])c1Cl	ZINC000409442544	369978407	/nfs/dbraw/zinc/97/84/07/369978407.db2.gz	WSWVCSGVSUPRBZ-UHFFFAOYSA-N	-1	2	240.646	2.134	10	30		BEEELM
Cc1cccc2c1C(C)(C)C(=O)C(C(=O)[O-])=C2O	ZINC000105647994	179213691	/nfs/dbraw/zinc/21/36/91/179213691.db2.gz	OUCQODNYFIYDHM-UHFFFAOYSA-N	-1	2	246.262	2.209	10	30		BEEELM
CCc1ccc(S)c(CC(=O)[O-])c1C#N	ZINC000396165478	344635827	/nfs/dbraw/zinc/63/58/27/344635827.db2.gz	VWMCUULQZFZOEF-UHFFFAOYSA-N	-1	2	221.281	2.036	10	30		BEEELM
CCC(=NNC1N=NC(=S)N1)c1ccccc1	ZINC000005913959	384136639	/nfs/dbraw/zinc/13/66/39/384136639.db2.gz	YKBMFNDTBFAGFI-LCYFTJDESA-N	-1	2	247.327	2.320	10	30		BEEELM
CCCCCCCCO[P@@](=O)([O-])O	ZINC000002038200	358149115	/nfs/dbraw/zinc/14/91/15/358149115.db2.gz	WRKCIHRWQZQBOL-UHFFFAOYSA-N	-1	2	210.210	2.456	10	30		BEEELM
CCCCCCCCO[P@](=O)([O-])O	ZINC000002038200	358149117	/nfs/dbraw/zinc/14/91/17/358149117.db2.gz	WRKCIHRWQZQBOL-UHFFFAOYSA-N	-1	2	210.210	2.456	10	30		BEEELM
CCc1c(S)ccc(CC(=O)[O-])c1C#N	ZINC000396160778	344633736	/nfs/dbraw/zinc/63/37/36/344633736.db2.gz	OPLRVSWZNKMYJV-UHFFFAOYSA-N	-1	2	221.281	2.036	10	30		BEEELM
CCc1cc(CC(=O)[O-])c(S)cc1C#N	ZINC000396162464	344634597	/nfs/dbraw/zinc/63/45/97/344634597.db2.gz	PUBZEUQHLQGVMC-UHFFFAOYSA-N	-1	2	221.281	2.036	10	30		BEEELM
Cc1ccc2c(c1)C(O)=C(C(=O)[O-])C(=O)C2(C)C	ZINC000105647990	398276243	/nfs/dbraw/zinc/27/62/43/398276243.db2.gz	RVGXNJMOGFDYKW-UHFFFAOYSA-N	-1	2	246.262	2.209	10	30		BEEELM
CCc1c(C#N)ccc(CC(=O)[O-])c1S	ZINC000396166451	344636429	/nfs/dbraw/zinc/63/64/29/344636429.db2.gz	WSJWELWPWOKWTF-UHFFFAOYSA-N	-1	2	221.281	2.036	10	30		BEEELM