smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc42)/C(=C\c2ccc4c(c2)OCO4)CC3)cc1S(=O)(=O)N1CCOCC1	ZINC000159457020	571530352	/nfs/dbraw/zinc/53/03/52/571530352.db2.gz	RQJWJOFIJCDHPN-JWGURIENSA-N	0	0	657.701	4.275	50	70		KIIARN
Cc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1C(C(=O)Oc3ccccc3)=CC2[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]21	ZINC000217424048	571601581	/nfs/dbraw/zinc/60/15/81/571601581.db2.gz	MLBSYBWRPIIJOU-IEXPLEERSA-N	0	0	546.579	4.006	50	70		KIIARN
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2cc(OC)c(OC)cc2OC)o1	ZINC000217608456	571601773	/nfs/dbraw/zinc/60/17/73/571601773.db2.gz	YTXDTWHEFGHWKA-OAQYLSRUSA-N	0	0	548.592	4.106	50	70		KIIARN
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2cc(OC)c(OC)cc2OC)o1	ZINC000217608542	571601831	/nfs/dbraw/zinc/60/18/31/571601831.db2.gz	YTXDTWHEFGHWKA-NRFANRHFSA-N	0	0	548.592	4.106	50	70		KIIARN
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2ccc(OC)c(OC)c2OC)o1	ZINC000217643970	571602091	/nfs/dbraw/zinc/60/20/91/571602091.db2.gz	JJVMOJIQJMHZTM-OAQYLSRUSA-N	0	0	548.592	4.106	50	70		KIIARN
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2ccc(OC)c(OC)c2OC)o1	ZINC000217644038	571602104	/nfs/dbraw/zinc/60/21/04/571602104.db2.gz	JJVMOJIQJMHZTM-NRFANRHFSA-N	0	0	548.592	4.106	50	70		KIIARN
COc1cc([C@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2oc(C)cc(=O)c2O)cc(OC)c1OC	ZINC000217650311	571602138	/nfs/dbraw/zinc/60/21/38/571602138.db2.gz	ZZEXBWZUXOTXBQ-FQEVSTJZSA-N	0	0	518.566	4.268	50	70		KIIARN
COc1cc([C@@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2oc(C)cc(=O)c2O)cc(OC)c1OC	ZINC000217650400	571602059	/nfs/dbraw/zinc/60/20/59/571602059.db2.gz	ZZEXBWZUXOTXBQ-HXUWFJFHSA-N	0	0	518.566	4.268	50	70		KIIARN
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2ccc(OC)c(OC)c2)o1	ZINC000217754826	571602539	/nfs/dbraw/zinc/60/25/39/571602539.db2.gz	XKIXVUSHTDRPRZ-OAQYLSRUSA-N	0	0	518.566	4.097	50	70		KIIARN
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2ccc(OC)c(OC)c2)o1	ZINC000217754911	571602502	/nfs/dbraw/zinc/60/25/02/571602502.db2.gz	XKIXVUSHTDRPRZ-NRFANRHFSA-N	0	0	518.566	4.097	50	70		KIIARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N3CCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000217756427	571602619	/nfs/dbraw/zinc/60/26/19/571602619.db2.gz	OBBQZWKUTRPEEA-ZCYQVOJMSA-N	0	0	551.684	4.312	50	70		KIIARN
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccc(O)c(Cl)c2)o1	ZINC000217780645	571602507	/nfs/dbraw/zinc/60/25/07/571602507.db2.gz	PPXMDHYNVZURIN-LJQANCHMSA-N	0	0	508.958	4.439	50	70		KIIARN
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccc(O)c(Cl)c2)o1	ZINC000217780738	571602541	/nfs/dbraw/zinc/60/25/41/571602541.db2.gz	PPXMDHYNVZURIN-IBGZPJMESA-N	0	0	508.958	4.439	50	70		KIIARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccccn3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000217782587	571602477	/nfs/dbraw/zinc/60/24/77/571602477.db2.gz	DXKNAVQPHKLHRG-QFIPXVFZSA-N	0	0	546.624	4.089	50	70		KIIARN
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2ccc(OC)cc2OC)o1	ZINC000217782704	571602634	/nfs/dbraw/zinc/60/26/34/571602634.db2.gz	YVUJBEUIRGJNKF-JOCHJYFZSA-N	0	0	518.566	4.097	50	70		KIIARN
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2ccc(OC)cc2OC)o1	ZINC000217782770	571602537	/nfs/dbraw/zinc/60/25/37/571602537.db2.gz	YVUJBEUIRGJNKF-QFIPXVFZSA-N	0	0	518.566	4.097	50	70		KIIARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccc4c(ccn4C)c3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000217966492	571602751	/nfs/dbraw/zinc/60/27/51/571602751.db2.gz	YGWKDMBZSZQCSF-DEOSSOPVSA-N	0	0	570.646	4.405	50	70		KIIARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3c(C)nn(C(C)C)c3C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000218055963	571603270	/nfs/dbraw/zinc/60/32/70/571603270.db2.gz	ZMHFDABCRSZVDE-QHCPKHFHSA-N	0	0	577.682	4.308	50	70		KIIARN
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2cc(F)c(F)c(F)c2)o1	ZINC000218237556	571603699	/nfs/dbraw/zinc/60/36/99/571603699.db2.gz	CUCPUQPFVKZNFV-GOSISDBHSA-N	0	0	512.484	4.497	50	70		KIIARN
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2cc(F)c(F)c(F)c2)o1	ZINC000218237625	571603702	/nfs/dbraw/zinc/60/37/02/571603702.db2.gz	CUCPUQPFVKZNFV-SFHVURJKSA-N	0	0	512.484	4.497	50	70		KIIARN