smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+](CC1CCCCC1)C(C)(C)C	217765128	487028117	/nfs/dbraw/zinc/02/81/17/487028117.db2.gz	LNHCNAPYSVWLQD-UHFFFAOYSA-N	1	1	183.339	3.297	20	70		AGIDMO
CC(C)C(C[N@@H+](C)C1CC1)C(C)C	217717791	490068402	/nfs/dbraw/zinc/06/84/02/490068402.db2.gz	JFIPTJFEEOKYOI-UHFFFAOYSA-N	1	1	183.339	3.009	20	70		AGIDMO
CCCC[N@@H+]1[C@@H](CC)CC[C@H]1C	218153886	490069018	/nfs/dbraw/zinc/06/90/18/490069018.db2.gz	DEOBTFGSPWHHGT-MNOVXSKESA-N	1	1	169.312	3.049	20	70		AGIDMO
CCCC[N@H+]1[C@@H](C)CC[C@@H]1CC	218153929	490069460	/nfs/dbraw/zinc/06/94/60/490069460.db2.gz	DEOBTFGSPWHHGT-QWRGUYRKSA-N	1	1	169.312	3.049	20	70		AGIDMO
CCCC[N@@H+](C)CCCC(C)C	218666602	490069896	/nfs/dbraw/zinc/06/98/96/490069896.db2.gz	BDANZTGAXKFUEX-UHFFFAOYSA-N	1	1	171.328	3.155	20	70		AGIDMO