smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1[nH]c(C(=O)OCC)c(O)c1O	ZINC000001608647	170260201	/nfs/dbraw/zinc/26/02/01/170260201.db2.gz	JQAKUNSBLLMPTE-PHDIDXHHSA-N	0	0	243.215	-1.409	40	10		BACBRN
NC(=O)c1[nH]cnc1N=NN(CCO)CCO	ZINC000001727767	181312798	/nfs/dbraw/zinc/31/27/98/181312798.db2.gz	NVXPFCIYLSSBRB-OUKQBFOZSA-N	0	0	242.239	-1.206	40	10		BACBRN
O=C([C@H](O)CO)[C@H](O)C1NNC(S)NN1	ZINC000004018039	183112533	/nfs/dbraw/zinc/11/25/33/183112533.db2.gz	LGVKIZKQKNTEPW-JJYYJPOSSA-N	0	0	238.269	-4.126	40	10		BACBRN
O=C1NC(=S)NC(=O)C1=CN1CC[NH2+]CC1	ZINC000027232429	343114171	/nfs/dbraw/zinc/11/41/71/343114171.db2.gz	AJUNWNPCZYMWHG-UHFFFAOYSA-N	0	0	240.288	-1.694	40	10		BACBRN
NC(=O)c1[nH]cnc1N=NN(CCO)CCO	ZINC000104132864	181285692	/nfs/dbraw/zinc/28/56/92/181285692.db2.gz	NVXPFCIYLSSBRB-SEYXRHQNSA-N	0	0	242.239	-1.206	40	10		BACBRN
CN1C(=O)C(=CNCCO)C(=O)N(C)C1=O	ZINC000142045122	368346259	/nfs/dbraw/zinc/34/62/59/368346259.db2.gz	LGANXKRFILRQIX-UHFFFAOYSA-N	0	0	227.220	-1.497	40	10		BACBRN
NS(=O)(=O)N=NNNS(N)(=O)=O	ZINC000301054805	527299993	/nfs/dbraw/zinc/29/99/93/527299993.db2.gz	KTHUNAISSBYPFC-UHFFFAOYSA-N	0	0	218.220	-3.145	40	10		BACBRN