smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)N(C)C[P+](CN(C)C(=O)NC)(CN(C)C(=O)NC)CN(C)C(=O)NC	ZINC000005648986	556061664	/nfs/dbraw/zinc/06/16/64/556061664.db2.gz	CPVJWLCBEPHXPQ-UHFFFAOYSA-O	1	0	435.490	-0.081	40	30		IBEBRO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@H]3C[C@@H]12	ZINC000012654281	518661449	/nfs/dbraw/zinc/66/14/49/518661449.db2.gz	OLTZZXRGVSYTGW-WFCAPDTGSA-N	1	0	427.538	-0.332	40	30		IBEBRO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](C)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H]3C[C@@H]12	ZINC000035360970	518660182	/nfs/dbraw/zinc/66/01/82/518660182.db2.gz	OLTZZXRGVSYTGW-AMHCVWTHSA-N	1	0	427.538	-0.332	40	30		IBEBRO
C[NH+]1CCN(CCCN2CNC(=NS(=O)(=O)c3cccc4nsnc43)NC2)CC1	ZINC000040387488	523896714	/nfs/dbraw/zinc/89/67/14/523896714.db2.gz	QTZZIYVSVUQHAL-UHFFFAOYSA-N	1	0	438.583	-0.217	40	30		IBEBRO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)[C@H]3C[C@@H]12	ZINC000217355353	568883012	/nfs/dbraw/zinc/88/30/12/568883012.db2.gz	OLTZZXRGVSYTGW-WDUADGPYSA-N	1	0	427.538	-0.332	40	30		IBEBRO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)[C@H]3C[C@@H]12	ZINC000217355436	568882962	/nfs/dbraw/zinc/88/29/62/568882962.db2.gz	OLTZZXRGVSYTGW-ZHLLGMIPSA-N	1	0	427.538	-0.332	40	30		IBEBRO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H]3C[C@@H]12	ZINC000217355510	568882973	/nfs/dbraw/zinc/88/29/73/568882973.db2.gz	OLTZZXRGVSYTGW-MSPAGHCUSA-N	1	0	427.538	-0.332	40	30		IBEBRO