smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc(OC(C)C)cc1	ZINC000218109586	568925742	/nfs/dbraw/zinc/92/57/42/568925742.db2.gz	WXZBMTRLSOLZAN-MRXNPFEDSA-N	0	1	422.433	4.238	50	70		HIIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(OC(C)C)cc1	ZINC000218109529	568925759	/nfs/dbraw/zinc/92/57/59/568925759.db2.gz	WXZBMTRLSOLZAN-INIZCTEOSA-N	0	1	422.433	4.238	50	70		HIIAMN
CSc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1	ZINC000217738658	568908941	/nfs/dbraw/zinc/90/89/41/568908941.db2.gz	XVVLUQAGFSFORG-CQSZACIVSA-N	0	1	410.447	4.173	50	70		HIIAMN
Cc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)cc5)oc-4c32)o1	ZINC000217753936	568910411	/nfs/dbraw/zinc/91/04/11/568910411.db2.gz	QKTJRTNWJYZTDF-CQSZACIVSA-N	0	1	404.374	4.214	50	70		HIIAMN
O=C1C[C@@H](c2ccsc2)c2c(cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc2-3)O1	ZINC000217904543	568919123	/nfs/dbraw/zinc/91/91/23/568919123.db2.gz	DMCUXZAQEDFNHP-AWEZNQCLSA-N	0	1	406.415	4.374	50	70		HIIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc(F)c(Cl)c1	ZINC000217981178	568921761	/nfs/dbraw/zinc/92/17/61/568921761.db2.gz	AJVWDEKYVMDHKV-LLVKDONJSA-N	0	1	416.788	4.243	50	70		HIIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(F)c(Cl)c1	ZINC000217981093	568921785	/nfs/dbraw/zinc/92/17/85/568921785.db2.gz	AJVWDEKYVMDHKV-NSHDSACASA-N	0	1	416.788	4.243	50	70		HIIAMN
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc(O)c1-3)[C@H](c1ccc(O)cc1)CC(=O)O2	ZINC000217923800	568919910	/nfs/dbraw/zinc/91/99/10/568919910.db2.gz	SGXPMELNLKOHJQ-INIZCTEOSA-N	0	1	416.385	4.018	50	70		HIIAMN
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc(O)c1-3)[C@@H](c1ccc(O)cc1)CC(=O)O2	ZINC000217923714	568919952	/nfs/dbraw/zinc/91/99/52/568919952.db2.gz	SGXPMELNLKOHJQ-MRXNPFEDSA-N	0	1	416.385	4.018	50	70		HIIAMN
O=C1C[C@H](c2ccsc2)c2c(cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc2-3)O1	ZINC000217904607	568918997	/nfs/dbraw/zinc/91/89/97/568918997.db2.gz	DMCUXZAQEDFNHP-CQSZACIVSA-N	0	1	406.415	4.374	50	70		HIIAMN
CSc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1	ZINC000217738583	568908986	/nfs/dbraw/zinc/90/89/86/568908986.db2.gz	XVVLUQAGFSFORG-AWEZNQCLSA-N	0	1	410.447	4.173	50	70		HIIAMN
Cc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)cc5)oc-4c32)o1	ZINC000217753851	568910422	/nfs/dbraw/zinc/91/04/22/568910422.db2.gz	QKTJRTNWJYZTDF-AWEZNQCLSA-N	0	1	404.374	4.214	50	70		HIIAMN
COc1ccc2c(c1)c(C(=O)Nc1nc(-c3ccccc3OC)n[nH]1)cn2C(C)C	ZINC000218137888	568475598	/nfs/dbraw/zinc/47/55/98/568475598.db2.gz	OPGMWQOZCRAEFL-UHFFFAOYSA-N	0	1	405.458	4.277	50	70		HIIAMN
Cc1nc(-c2ccccc2NC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)cs1	ZINC000218596899	568882981	/nfs/dbraw/zinc/88/29/81/568882981.db2.gz	AEWJYGBMZMPQGC-UHFFFAOYSA-N	0	1	404.451	4.490	50	70		HIIAMN