smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCC1C=CC(=O)O1	1554796	342947059	/nfs/dbraw/zinc/94/70/59/342947059.db2.gz	BWXCHUAWFSHXMU-NSHDSACASA-N	0	3	196.290	3.219	40	30		AGEBHN
C#C[C@H](C[C@@H](C)CC(C)(C)C)N(C)C	1693483	166038696	/nfs/dbraw/zinc/03/86/96/166038696.db2.gz	QEROTBXHARNRBE-VXGBXAGGSA-N	0	3	195.350	3.012	40	30		AGEBHN
C#C[C@H](C[C@H](C)CC(C)(C)C)N(C)C	1693482	166039839	/nfs/dbraw/zinc/03/98/39/166039839.db2.gz	QEROTBXHARNRBE-NWDGAFQWSA-N	0	3	195.350	3.012	40	30		AGEBHN
C(=N\C1CCCCC1)\c1ccccc1	96444089	166047559	/nfs/dbraw/zinc/04/75/59/166047559.db2.gz	QKSQEJXIILKPDX-KAMYIIQDSA-N	0	3	187.286	3.438	40	30		AGEBHN
C=C(C)CN(CC(=C)C)CC(=C)C	1665024	166117154	/nfs/dbraw/zinc/11/71/54/166117154.db2.gz	FXBJYRVIFGLPBC-UHFFFAOYSA-N	0	3	179.307	3.017	40	30		AGEBHN
C=C(C)CNCc1ccccc1Cl	41626108	166121929	/nfs/dbraw/zinc/12/19/29/166121929.db2.gz	QFQOXJKVHODUBE-UHFFFAOYSA-N	0	3	195.693	3.006	40	30		AGEBHN
C=CC/N=C1\C=C(C)CC(C)(C)C1	17301814	166161175	/nfs/dbraw/zinc/16/11/75/166161175.db2.gz	QKSABINCHDBILU-ACCUITESSA-N	0	3	177.291	3.380	40	30		AGEBHN
C=CC/N=C1/C=C(C)CC(C)(C)C1	104361605	166161335	/nfs/dbraw/zinc/16/13/35/166161335.db2.gz	QKSABINCHDBILU-QBFSEMIESA-N	0	3	177.291	3.380	40	30		AGEBHN
C#C[C@@H](C[C@H](C)CC(C)(C)C)N(C)C	1693484	171207311	/nfs/dbraw/zinc/20/73/11/171207311.db2.gz	QEROTBXHARNRBE-RYUDHWBXSA-N	0	3	195.350	3.012	40	30		AGEBHN
C#C[C@@H](C[C@@H](C)CC(C)(C)C)N(C)C	1693485	171207401	/nfs/dbraw/zinc/20/74/01/171207401.db2.gz	QEROTBXHARNRBE-NEPJUHHUSA-N	0	3	195.350	3.012	40	30		AGEBHN
CCCCCCCCC1C=CC(=O)O1	14254111	343038599	/nfs/dbraw/zinc/03/85/99/343038599.db2.gz	BWXCHUAWFSHXMU-LLVKDONJSA-N	0	3	196.290	3.219	40	30		AGEBHN
C=CCCNCc1ccccc1Cl	70591304	409428643	/nfs/dbraw/zinc/42/86/43/409428643.db2.gz	HXNISUYPOWSOSP-UHFFFAOYSA-N	0	3	195.693	3.006	40	30		AGEBHN
CCCCCCCNCc1ccco1	100027142	520058578	/nfs/dbraw/zinc/05/85/78/520058578.db2.gz	IHFVDVPYIRDJKT-UHFFFAOYSA-N	0	3	195.306	3.340	40	30		AGEBHN