smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@@H]1C=C[C@](CN)(OC)O1	5210210	168206102	/nfs/dbraw/zinc/20/61/02/168206102.db2.gz	JSTZGHLHHVUXOT-BQBZGAKWSA-N	0	3	159.185	-0.153	50	10	in-vitro	ABCAHN
CO[C@@H]1C=C[C@@](CN)(OC)O1	5210208	168206295	/nfs/dbraw/zinc/20/62/95/168206295.db2.gz	JSTZGHLHHVUXOT-NKWVEPMBSA-N	0	3	159.185	-0.153	50	10	in-vitro	ABCAHN
CO[C@H]1C=C[C@@](CN)(OC)O1	5210233	168215228	/nfs/dbraw/zinc/21/52/28/168215228.db2.gz	JSTZGHLHHVUXOT-RNFRBKRXSA-N	0	3	159.185	-0.153	50	10	in-vitro	ABCAHN
CO[C@H]1C=C[C@](CN)(OC)O1	5210234	168215419	/nfs/dbraw/zinc/21/54/19/168215419.db2.gz	JSTZGHLHHVUXOT-RQJHMYQMSA-N	0	3	159.185	-0.153	50	10	in-vitro	ABCAHN
N#[N+]C=C([O-])CC[C@H]([NH3+])C(=O)[O-]	3953825	171010871	/nfs/dbraw/zinc/01/08/71/171010871.db2.gz	YCWQAMGASJSUIP-YFKPBYRVSA-N	0	3	171.156	-0.952	50	10	in-vitro	ABCAHN
N#[N+][N-]S(=O)(=O)CCN	38292458	351480324	/nfs/dbraw/zinc/48/03/24/351480324.db2.gz	QJDQHBZBKSPGOW-UHFFFAOYSA-N	0	3	150.163	-0.415	50	10		ABCAHN
N#[N+]C=C([O-])c1cnccn1	3882905	534974938	/nfs/dbraw/zinc/97/49/38/534974938.db2.gz	HJRTZAGBNMTNSO-UHFFFAOYSA-N	0	3	148.125	-0.040	50	10		ABCAHN