smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C=Nc1ccc(-c2nnn[n-]2)cc1	95233118	1423402629	/nfs/dbraw/zinc/40/26/29/1423402629.db2.gz	GJVSLZWVGBMXRF-UHFFFAOYSA-N	-1	1	187.162	0.834	10	50		ACGEMM
ClCCCCc1nnn[n-]1	2546990	1423532794	/nfs/dbraw/zinc/53/27/94/1423532794.db2.gz	AYCYAIFEVQSAON-UHFFFAOYSA-N	-1	1	160.608	0.761	10	50		ACGEMM
C[C@@H](NC(=O)Cl)c1nnn[n-]1	238373535	1423559262	/nfs/dbraw/zinc/55/92/62/1423559262.db2.gz	LVIQJURUOKTDAN-UWTATZPHSA-N	-1	1	175.579	0.209	10	50		ACGEMM
ClCc1cn(Cc2nn[n-]n2)cn1	300769142	1423623153	/nfs/dbraw/zinc/62/31/53/1423623153.db2.gz	ZCCJRLLDOMVMOQ-UHFFFAOYSA-N	-1	1	198.617	0.183	10	50		ACGEMM
C[C@H](CN=C=S)c1nnn[n-]1	307250446	1424070105	/nfs/dbraw/zinc/07/01/05/1424070105.db2.gz	MAELXZANTXPYQT-SCSAIBSYSA-N	-1	1	169.213	0.406	10	50		ACGEMM
O=C=Nc1cccc(-c2nnn[n-]2)c1	95221400	1424162896	/nfs/dbraw/zinc/16/28/96/1424162896.db2.gz	VFQZHIPUOQXBBK-UHFFFAOYSA-N	-1	1	187.162	0.834	10	50		ACGEMM
O=C(CCCCl)Nc1nnn[n-]1	6157420	1424193203	/nfs/dbraw/zinc/19/32/03/1424193203.db2.gz	JFNXAVFPARWCSE-UHFFFAOYSA-N	-1	1	189.606	0.157	10	50		ACGEMM
N#CC(=CCC=O)c1nn[n-]n1	307952529	1424268141	/nfs/dbraw/zinc/26/81/41/1424268141.db2.gz	WFNZYAYFDFCOPZ-LEWNYYKSSA-N	-1	1	163.140	0.178	10	50		ACGEMM
C[C@H](N=C=S)c1nnn[n-]1	44931062	1424306191	/nfs/dbraw/zinc/30/61/91/1424306191.db2.gz	LWVAPMVPJULPLU-VKHMYHEASA-N	-1	1	155.186	0.364	10	50		ACGEMM
S=C=NCCCc1nnn[n-]1	307656256	1424508250	/nfs/dbraw/zinc/50/82/50/1424508250.db2.gz	PYYYGZVIDGETEQ-UHFFFAOYSA-N	-1	1	169.213	0.235	10	50		ACGEMM
C[C@@H](N=C=S)c1nnn[n-]1	44931063	1424561808	/nfs/dbraw/zinc/56/18/08/1424561808.db2.gz	LWVAPMVPJULPLU-GSVOUGTGSA-N	-1	1	155.186	0.364	10	50		ACGEMM
N#CC(=CCC=O)c1nn[n-]n1	307952530	1424589400	/nfs/dbraw/zinc/58/94/00/1424589400.db2.gz	WFNZYAYFDFCOPZ-MWMWYHAWSA-N	-1	1	163.140	0.178	10	50		ACGEMM
N#CC(=CCC=O)c1nn[n-]n1	238605562	1424606294	/nfs/dbraw/zinc/60/62/94/1424606294.db2.gz	WFNZYAYFDFCOPZ-MGBLWKCQSA-N	-1	1	163.140	0.178	10	50		ACGEMM
BrCCc1nnn[n-]1	88189822	1424684295	/nfs/dbraw/zinc/68/42/95/1424684295.db2.gz	IUORGRIVAYGYGM-UHFFFAOYSA-N	-1	1	177.005	0.137	10	50		ACGEMM
ClCCCc1nnn[n-]1	2546989	1424746206	/nfs/dbraw/zinc/74/62/06/1424746206.db2.gz	BEFJEPIMKQDCBC-UHFFFAOYSA-N	-1	1	146.581	0.371	10	50		ACGEMM
C[C@@H](CN=C=S)c1nnn[n-]1	307250445	1424754505	/nfs/dbraw/zinc/75/45/05/1424754505.db2.gz	MAELXZANTXPYQT-BYPYZUCNSA-N	-1	1	169.213	0.406	10	50		ACGEMM
C[C@H](NC(=O)Cl)c1nnn[n-]1	238432435	1424842080	/nfs/dbraw/zinc/84/20/80/1424842080.db2.gz	LVIQJURUOKTDAN-REOHCLBHSA-N	-1	1	175.579	0.209	10	50		ACGEMM
BrCc1nnn[n-]1	169725038	1424941809	/nfs/dbraw/zinc/94/18/09/1424941809.db2.gz	XLBVEAUNOAKOTB-UHFFFAOYSA-N	-1	1	162.978	0.095	10	50		ACGEMM
ClCc1cn(-c2nn[n-]n2)cn1	709830944	1425001364	/nfs/dbraw/zinc/00/13/64/1425001364.db2.gz	IHUXHPMFGJDZCY-UHFFFAOYSA-N	-1	1	184.590	0.124	10	50		ACGEMM
CSSCCNc1nn[n-]n1	693696785	1428674463	/nfs/dbraw/zinc/67/44/63/1428674463.db2.gz	SIQYMJYQXHUDPR-UHFFFAOYSA-N	-1	1	191.285	0.623	10	50		ACGEMM
C[C@@H](OC(=O)Cl)c1nnn[n-]1	958530800	1441695320	/nfs/dbraw/zinc/69/53/20/1441695320.db2.gz	XMYUTKGIIXAAME-UWTATZPHSA-N	-1	1	176.563	0.636	10	50		ACGEMM
N#CC(=CCC=O)c1nn[n-]n1	1083219098	1442050750	/nfs/dbraw/zinc/05/07/50/1442050750.db2.gz	WFNZYAYFDFCOPZ-CRZUQTJNSA-N	-1	1	163.140	0.178	10	50		ACGEMM
C[C@H](CCl)C(=O)Nc1nnn[n-]1	709789466	1446417029	/nfs/dbraw/zinc/41/70/29/1446417029.db2.gz	DNYWHNKABDMBQR-GSVOUGTGSA-N	-1	1	189.606	0.013	10	50		ACGEMM
C[C@H](OC(=O)Cl)c1nnn[n-]1	958530799	1446439616	/nfs/dbraw/zinc/43/96/16/1446439616.db2.gz	XMYUTKGIIXAAME-REOHCLBHSA-N	-1	1	176.563	0.636	10	50		ACGEMM
C[C@@H](CCl)C(=O)Nc1nnn[n-]1	709789468	1449809797	/nfs/dbraw/zinc/80/97/97/1449809797.db2.gz	DNYWHNKABDMBQR-VKHMYHEASA-N	-1	1	189.606	0.013	10	50		ACGEMM