smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H]1CCN1S(=O)(=O)CCl	831617385	757499401	/nfs/dbraw/zinc/49/94/01/757499401.db2.gz	ASLUKFCUSVRXNC-ZCFIWIBFSA-N	0	0	197.687	0.997	10	50		ACGERN
CC[C@H]1CCN1S(=O)(=O)CCl	831617384	757499938	/nfs/dbraw/zinc/49/99/38/757499938.db2.gz	ASLUKFCUSVRXNC-LURJTMIESA-N	0	0	197.687	0.997	10	50		ACGERN
O=C1OC(=O)[C@H]2CC(F)C[C@H]12	218442241	573118493	/nfs/dbraw/zinc/11/84/93/573118493.db2.gz	KIULYWVWZRVMCX-WHFBIAKZSA-N	0	0	158.128	0.434	10	50		ACGERN
C[N@@H+]1CC[C@@H]([C@H](Cl)C(=O)[O-])C1	259489855	573524187	/nfs/dbraw/zinc/52/41/87/573524187.db2.gz	YUYJFSQAFXEQQR-RITPCOANSA-N	0	0	177.631	0.630	10	50		ACGERN
C#[N+]CC[C@@H](C#N)C(=O)[O-]	259550034	573679240	/nfs/dbraw/zinc/67/92/40/573679240.db2.gz	HEZHUBBYJBWKGL-YFKPBYRVSA-N	0	0	138.126	0.520	10	50		ACGERN
O=C(CCl)C(=O)C1CCOCC1	259354859	573165415	/nfs/dbraw/zinc/16/54/15/573165415.db2.gz	WDNWBACLOYRELK-UHFFFAOYSA-N	0	0	190.626	0.790	10	50		ACGERN
CN1CC[C@@H](C(=O)C(=O)CCl)C1	259407733	573296803	/nfs/dbraw/zinc/29/68/03/573296803.db2.gz	ZBHGWOGLTQEXNT-ZCFIWIBFSA-N	0	0	189.642	0.315	10	50		ACGERN
CN1CC[C@H](C(=O)C(=O)CCl)C1	259407731	573297116	/nfs/dbraw/zinc/29/71/16/573297116.db2.gz	ZBHGWOGLTQEXNT-LURJTMIESA-N	0	0	189.642	0.315	10	50		ACGERN
C[N@@H+]1CC[C@H]([C@@H](Cl)C(=O)[O-])C1	259489852	573524802	/nfs/dbraw/zinc/52/48/02/573524802.db2.gz	YUYJFSQAFXEQQR-NTSWFWBYSA-N	0	0	177.631	0.630	10	50		ACGERN
C[N@@H+]1CC[C@H]([C@H](Cl)C(=O)[O-])C1	259489856	573521012	/nfs/dbraw/zinc/52/10/12/573521012.db2.gz	YUYJFSQAFXEQQR-WDSKDSINSA-N	0	0	177.631	0.630	10	50		ACGERN
C[N@@H+]1CC[C@@H]([C@@H](Cl)C(=O)[O-])C1	259489853	573526188	/nfs/dbraw/zinc/52/61/88/573526188.db2.gz	YUYJFSQAFXEQQR-PHDIDXHHSA-N	0	0	177.631	0.630	10	50		ACGERN
C[N+](C)(C)C[C@H](Cl)CC(=O)[O-]	38283936	717126340	/nfs/dbraw/zinc/12/63/40/717126340.db2.gz	OQCNCOFANOOBAJ-ZCFIWIBFSA-O	0	0	180.655	0.775	10	50		ACGERN
C[N+](C)(C#N)[C@H](Cl)CCC(=O)[O-]	149599138	717153346	/nfs/dbraw/zinc/15/33/46/717153346.db2.gz	RWFHESXUMALJEW-LURJTMIESA-O	0	0	191.638	0.974	10	50		ACGERN
C[N+](C)(C#N)[C@@H](Cl)CCC(=O)[O-]	149599312	717153677	/nfs/dbraw/zinc/15/36/77/717153677.db2.gz	RWFHESXUMALJEW-ZCFIWIBFSA-O	0	0	191.638	0.974	10	50		ACGERN
C[N+](C)(C)C[C@@H](Cl)CC(=O)[O-]	169309013	717155487	/nfs/dbraw/zinc/15/54/87/717155487.db2.gz	OQCNCOFANOOBAJ-LURJTMIESA-O	0	0	180.655	0.775	10	50		ACGERN
C#[N+]CC[C@H](C#N)C(=O)[O-]	259550029	573679635	/nfs/dbraw/zinc/67/96/35/573679635.db2.gz	HEZHUBBYJBWKGL-RXMQYKEDSA-N	0	0	138.126	0.520	10	50		ACGERN