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=C1\C[N@@+]2(C)CC[C@]34c5cccc(OC)c5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000252462391	717165579	/nfs/dbraw/zinc/16/55/79/717165579.db2.gz	RYFUCGCTWTVHMS-KQPIQBPWSA-O	1	0	337.443	3.010	50	50	biogenic	EGGARO
C/C=C1\C[N@+]2(CC)CC[C@]34c5cccc(O)c5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000252441015	717165347	/nfs/dbraw/zinc/16/53/47/717165347.db2.gz	ATENPHFDKOJCEO-ZJKLMNILSA-O	1	0	337.443	3.097	50	50	biogenic	EGGARO
C/C=C1\C[N@+]2(C)CC[C@]34c5cccc(OC)c5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000252462390	717165513	/nfs/dbraw/zinc/16/55/13/717165513.db2.gz	RYFUCGCTWTVHMS-BEYIPGPDSA-O	1	0	337.443	3.010	50	50	biogenic	EGGARO
C[C@]1(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)C[C@@H]1Br	ZINC000252441051	717165380	/nfs/dbraw/zinc/16/53/80/717165380.db2.gz	CIGRASSTVHFEOB-TWTQLAGVSA-N	1	0	345.301	3.112	50	50	biogenic	EGGARO
C[N+](C)(Cc1ccccc1)C[C@H](Br)CBr	ZINC000000313498	717087830	/nfs/dbraw/zinc/08/78/30/717087830.db2.gz	DHTKGNSLXDMDAE-GFCCVEGCSA-N	1	0	336.091	3.421	50	50		EGGARO
C[N+](C)(Cc1ccccc1)C[C@@H](Br)CBr	ZINC000000313499	717087396	/nfs/dbraw/zinc/08/73/96/717087396.db2.gz	DHTKGNSLXDMDAE-LBPRGKRZSA-N	1	0	336.091	3.421	50	50		EGGARO
C[C@]1(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)C[C@@H]1Br	ZINC000252441050	717165354	/nfs/dbraw/zinc/16/53/54/717165354.db2.gz	CIGRASSTVHFEOB-OOVXDXFJSA-N	1	0	345.301	3.112	50	50	biogenic	EGGARO
C[C@]1(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)C[C@H]1Br	ZINC000252441048	717165389	/nfs/dbraw/zinc/16/53/89/717165389.db2.gz	CIGRASSTVHFEOB-DHFFPCJSSA-N	1	0	345.301	3.112	50	50	biogenic	EGGARO
C/C=C1\C[N@@+]2(CC)CC[C@]34c5cccc(O)c5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000252441014	717165377	/nfs/dbraw/zinc/16/53/77/717165377.db2.gz	ATENPHFDKOJCEO-XLLAXNIPSA-O	1	0	337.443	3.097	50	50	biogenic	EGGARO
C[C@]1(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)C[C@H]1Br	ZINC000252441049	717165341	/nfs/dbraw/zinc/16/53/41/717165341.db2.gz	CIGRASSTVHFEOB-ODKXIHAASA-N	1	0	345.301	3.112	50	50	biogenic	EGGARO