smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[S@@](c1ccccc1)N1COCN([S@@](=O)c2ccccc2)COCN([S@](=O)c2ccccc2)COCN([S@@](=O)c2ccccc2)COC1	ZINC000159690512	571530627	/nfs/dbraw/zinc/53/06/27/571530627.db2.gz	ZOIOSEKLYUUTMF-KDQUBTEHSA-N	0	0	732.928	3.826	50	70		KHIARN
O=[S@@](c1ccccc1)N1COCN([S@@](=O)c2ccccc2)COCN([S@@](=O)c2ccccc2)COCN([S@@](=O)c2ccccc2)COC1	ZINC000159690652	571530476	/nfs/dbraw/zinc/53/04/76/571530476.db2.gz	ZOIOSEKLYUUTMF-MABAWHDTSA-N	0	0	732.928	3.826	50	70		KHIARN
O=[S@@](c1ccccc1)N1COCN([S@@](=O)c2ccccc2)COCN([S@](=O)c2ccccc2)COCN([S@](=O)c2ccccc2)COC1	ZINC000159690787	571530554	/nfs/dbraw/zinc/53/05/54/571530554.db2.gz	ZOIOSEKLYUUTMF-ZYDPHITGSA-N	0	0	732.928	3.826	50	70		KHIARN
OC[C@H]1O[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1O	ZINC000159847890	571530482	/nfs/dbraw/zinc/53/04/82/571530482.db2.gz	WXWNXVODAVEHEI-HPKZLVFQSA-N	0	0	702.797	3.501	50	70		KHIARN
CCc1cc2c(cc1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)oc(C)c(-c1ccc3c(c1)OCO3)c2=O	ZINC000217364894	571601281	/nfs/dbraw/zinc/60/12/81/571601281.db2.gz	GTZJXEKBDFHJCO-XITZMZQWSA-N	0	0	654.621	3.521	50	70		KHIARN
CCOC(=O)c1csc(NC(=O)[C@H](C)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n1	ZINC000217597507	571601753	/nfs/dbraw/zinc/60/17/53/571601753.db2.gz	GABTZFJQBDELKX-YWZLYKJASA-N	0	0	610.689	3.935	50	70		KHIARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3nc4c(s3)CCC4)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000217622787	571602057	/nfs/dbraw/zinc/60/20/57/571602057.db2.gz	CICDJOHIULXDOW-IBGZPJMESA-N	0	0	564.664	3.859	50	70		KHIARN
COC(=O)C[C@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O)c1cc2ccc(OC)cc2[nH]c1=O	ZINC000217626811	571601973	/nfs/dbraw/zinc/60/19/73/571601973.db2.gz	FKKUEOJHYGQAKH-FQEVSTJZSA-N	0	0	517.582	3.943	50	70		KHIARN
COC(=O)C[C@@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O)c1cc2ccc(OC)cc2[nH]c1=O	ZINC000217626902	571602095	/nfs/dbraw/zinc/60/20/95/571602095.db2.gz	FKKUEOJHYGQAKH-HXUWFJFHSA-N	0	0	517.582	3.943	50	70		KHIARN
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2cc3c(c(OC)c2)OCO3)o1	ZINC000217628561	571602120	/nfs/dbraw/zinc/60/21/20/571602120.db2.gz	SZKGMSHWFCXSIS-HXUWFJFHSA-N	0	0	532.549	3.817	50	70		KHIARN
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2cc3c(c(OC)c2)OCO3)o1	ZINC000217628646	571602139	/nfs/dbraw/zinc/60/21/39/571602139.db2.gz	SZKGMSHWFCXSIS-FQEVSTJZSA-N	0	0	532.549	3.817	50	70		KHIARN
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2ccc3c(c2)OCO3)o1	ZINC000217646988	571602089	/nfs/dbraw/zinc/60/20/89/571602089.db2.gz	PUXCRZMXSXVCJT-HXUWFJFHSA-N	0	0	502.523	3.809	50	70		KHIARN
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2ccc3c(c2)OCO3)o1	ZINC000217647077	571601964	/nfs/dbraw/zinc/60/19/64/571601964.db2.gz	PUXCRZMXSXVCJT-FQEVSTJZSA-N	0	0	502.523	3.809	50	70		KHIARN
COC(=O)c1nc(NC(=O)[C@H](C)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)sc1C	ZINC000217648099	571602011	/nfs/dbraw/zinc/60/20/11/571602011.db2.gz	LQYHKTLSOCYXPC-XOBRGWDASA-N	0	0	610.689	3.854	50	70		KHIARN
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2cc(OC)c(O)c(OC)c2)o1	ZINC000217778550	571602489	/nfs/dbraw/zinc/60/24/89/571602489.db2.gz	KIDQQYBUFDFBAY-HXUWFJFHSA-N	0	0	534.565	3.803	50	70		KHIARN
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2cc(OC)c(O)c(OC)c2)o1	ZINC000217778618	571602571	/nfs/dbraw/zinc/60/25/71/571602571.db2.gz	KIDQQYBUFDFBAY-FQEVSTJZSA-N	0	0	534.565	3.803	50	70		KHIARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCc4ccccc4C3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000217958735	571602819	/nfs/dbraw/zinc/60/28/19/571602819.db2.gz	IESDDNAMYBOHRI-VWLOTQADSA-N	0	0	557.647	3.860	50	70		KHIARN
COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000218107043	571603548	/nfs/dbraw/zinc/60/35/48/571603548.db2.gz	XBQCQGPQPWROSL-HXUWFJFHSA-N	0	0	505.523	3.621	50	70		KHIARN
COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000218107116	571603524	/nfs/dbraw/zinc/60/35/24/571603524.db2.gz	XBQCQGPQPWROSL-FQEVSTJZSA-N	0	0	505.523	3.621	50	70		KHIARN
COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000218120921	571603518	/nfs/dbraw/zinc/60/35/18/571603518.db2.gz	JUMVIHBUWPRUBB-QHCPKHFHSA-N	0	0	514.578	3.767	50	70		KHIARN
COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000218121000	571603532	/nfs/dbraw/zinc/60/35/32/571603532.db2.gz	JUMVIHBUWPRUBB-HSZRJFAPSA-N	0	0	514.578	3.767	50	70		KHIARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCCCCc3nnc4ccccn43)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000218121120	571603526	/nfs/dbraw/zinc/60/35/26/571603526.db2.gz	LBNDPUCYQUPPQN-VWLOTQADSA-N	0	0	628.730	3.847	50	70		KHIARN