smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(=N\[S@@](=O)C(C)(C)C)C(C)C	79016698	166055465	/nfs/dbraw/zinc/05/54/65/166055465.db2.gz	RDYKYUUGTHUYHS-ZJNQMXKESA-N	0	0	189.324	2.566	30	30		AFECRN
CC(C)(C)c1cccc(OCC#N)c1	37406253	166385401	/nfs/dbraw/zinc/38/54/01/166385401.db2.gz	QOHZSIALWYWCAE-UHFFFAOYSA-N	0	0	189.258	2.886	30	30		AFECRN
COc1cc(C#N)c(C)cc1Cl	67802851	168227515	/nfs/dbraw/zinc/22/75/15/168227515.db2.gz	PBUHSNMXLLFQDM-UHFFFAOYSA-N	0	0	181.622	2.529	30	30		AFECRN
Cc1c(Cl)ccc(C#N)c1C	67802593	168710938	/nfs/dbraw/zinc/71/09/38/168710938.db2.gz	KFGKGRVSLXYCAT-UHFFFAOYSA-N	0	0	165.623	2.829	30	30		AFECRN
FC(F)Oc1ccc(CS)cc1	36533256	169074648	/nfs/dbraw/zinc/07/46/48/169074648.db2.gz	KXDMFMXSCCLTRB-UHFFFAOYSA-N	0	0	190.214	2.718	30	30		AFECRN
N#CC[C@@H]1CCc2ccc3c(c21)CCO3	95080000	169100557	/nfs/dbraw/zinc/10/05/57/169100557.db2.gz	WPIVLYZNFICYFP-JTQLQIEISA-N	0	0	199.253	2.565	30	30		AFECRN
CCc1cccc(CC)c1C#N	34593364	343122983	/nfs/dbraw/zinc/12/29/83/343122983.db2.gz	CJMUUZJMEHARSF-UHFFFAOYSA-N	0	0	159.232	2.683	30	30		AFECRN
CCCCc1cccc(C#N)c1	39192953	343205564	/nfs/dbraw/zinc/20/55/64/343205564.db2.gz	KHTOSIUCQBUWHE-UHFFFAOYSA-N	0	0	159.232	2.901	30	30		AFECRN
CCc1cc(C#N)cc(CC)c1	62715937	343378428	/nfs/dbraw/zinc/37/84/28/343378428.db2.gz	WYRZEAVLKTXXCS-UHFFFAOYSA-N	0	0	159.232	2.683	30	30		AFECRN
Cc1cc(Cl)c(C#N)cc1C	67794424	343410808	/nfs/dbraw/zinc/41/08/08/343410808.db2.gz	FUDLGFCTKXPGPK-UHFFFAOYSA-N	0	0	165.623	2.829	30	30		AFECRN
Cc1cc(C)c(Cl)c(C#N)c1	67794438	343410798	/nfs/dbraw/zinc/41/07/98/343410798.db2.gz	YZEIZGIJNWAODC-UHFFFAOYSA-N	0	0	165.623	2.829	30	30		AFECRN
CCc1ccc(Cl)c(C#N)c1	67794427	343410942	/nfs/dbraw/zinc/41/09/42/343410942.db2.gz	YCJWXXDZNGTZHB-UHFFFAOYSA-N	0	0	165.623	2.774	30	30		AFECRN
CCc1cc(C#N)ccc1Cl	67802857	343411316	/nfs/dbraw/zinc/41/13/16/343411316.db2.gz	CDEWCJIESNSKTG-UHFFFAOYSA-N	0	0	165.623	2.774	30	30		AFECRN