smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)c1c([O-])c2ccccc2oc1=O	ZINC000217917897	568919767	/nfs/dbraw/zinc/91/97/67/568919767.db2.gz	RXLCCEAEIFRUMR-MRXNPFEDSA-N	-1	0	412.438	3.989	50	70	biogenic	HHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(F)c(F)c1	ZINC000217999909	568922392	/nfs/dbraw/zinc/92/23/92/568922392.db2.gz	ZWUAAXODDOLQEU-NSHDSACASA-N	-1	0	400.333	3.729	50	70	biogenic	HHIARM
COC(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)c1c([O-])c2ccccc2oc1=O	ZINC000217917996	568919815	/nfs/dbraw/zinc/91/98/15/568919815.db2.gz	RXLCCEAEIFRUMR-INIZCTEOSA-N	-1	0	412.438	3.989	50	70	biogenic	HHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc2ncccc2c1	ZINC000218111321	568925974	/nfs/dbraw/zinc/92/59/74/568925974.db2.gz	ZEQNUTKYJXKYOG-OAHLLOKOSA-N	-1	0	415.401	3.999	50	70	biogenic	HHIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccco2)CC(=O)O4)cc1O	ZINC000217787041	569050826	/nfs/dbraw/zinc/05/08/26/569050826.db2.gz	HJCGXQIVMSHGHN-GFCCVEGCSA-N	-1	0	420.373	3.914	50	70	biogenic	HHIARM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@H](c2cccnc2)CC(=O)O1	ZINC000217775252	568911448	/nfs/dbraw/zinc/91/14/48/568911448.db2.gz	GKWWLJDLKXSZOK-HNNXBMFYSA-N	-1	0	401.374	3.707	50	70	biogenic	HHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc(F)c(F)c(F)c1	ZINC000218066385	568925129	/nfs/dbraw/zinc/92/51/29/568925129.db2.gz	ORPMXJQZAUSTTR-JTQLQIEISA-N	-1	0	418.323	3.868	50	70	biogenic	HHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc(F)c(F)c1	ZINC000217999983	568922467	/nfs/dbraw/zinc/92/24/67/568922467.db2.gz	ZWUAAXODDOLQEU-LLVKDONJSA-N	-1	0	400.333	3.729	50	70	biogenic	HHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc(F)c(F)c(F)c1	ZINC000218066464	568925116	/nfs/dbraw/zinc/92/51/16/568925116.db2.gz	ORPMXJQZAUSTTR-SNVBAGLBSA-N	-1	0	418.323	3.868	50	70	biogenic	HHIARM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@@H](c2cccnc2)CC(=O)O1	ZINC000217775349	568911400	/nfs/dbraw/zinc/91/14/00/568911400.db2.gz	GKWWLJDLKXSZOK-OAHLLOKOSA-N	-1	0	401.374	3.707	50	70	biogenic	HHIARM
CCOc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)ccc1O	ZINC000217716248	568907820	/nfs/dbraw/zinc/90/78/20/568907820.db2.gz	CDSHXAIZNCMEOB-CYBMUJFWSA-N	-1	0	424.405	3.555	50	70	biogenic	HHIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccco2)CC(=O)O4)cc1O	ZINC000217787136	568912165	/nfs/dbraw/zinc/91/21/65/568912165.db2.gz	HJCGXQIVMSHGHN-LBPRGKRZSA-N	-1	0	420.373	3.914	50	70	biogenic	HHIARM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@@H](c2ccncc2)CC(=O)O1	ZINC000217792656	568912900	/nfs/dbraw/zinc/91/29/00/568912900.db2.gz	MOZOYUICOMWHHK-OAHLLOKOSA-N	-1	0	401.374	3.707	50	70	biogenic	HHIARM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@H](c2ccncc2)CC(=O)O1	ZINC000217792565	568912825	/nfs/dbraw/zinc/91/28/25/568912825.db2.gz	MOZOYUICOMWHHK-HNNXBMFYSA-N	-1	0	401.374	3.707	50	70	biogenic	HHIARM
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2Cl)cn1	ZINC000217974670	568921770	/nfs/dbraw/zinc/92/17/70/568921770.db2.gz	KDFPKBLLNDKKSL-UHFFFAOYSA-N	-1	0	414.878	3.561	50	70		HHIARM
COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccsc2-c2nc(C3CC3)no2)cc1	ZINC000217286980	568868443	/nfs/dbraw/zinc/86/84/43/568868443.db2.gz	OIAFKHCSIOYTNP-UHFFFAOYSA-N	-1	0	420.472	3.655	50	70		HHIARM
Cc1nc2sc([C@@H](c3ccc(Br)cc3F)N3CCCC3)c([O-])n2n1	ZINC000218571951	568481920	/nfs/dbraw/zinc/48/19/20/568481920.db2.gz	NJZHFHQWKULVEO-CYBMUJFWSA-N	-1	0	411.300	3.892	50	70		HHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc(O)c(Cl)c1	ZINC000218127266	568926390	/nfs/dbraw/zinc/92/63/90/568926390.db2.gz	FTYASYULJIYTGA-LLVKDONJSA-N	-1	0	414.797	3.810	50	70	biogenic	HHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc2ncccc2c1	ZINC000218111244	568925888	/nfs/dbraw/zinc/92/58/88/568925888.db2.gz	ZEQNUTKYJXKYOG-HNNXBMFYSA-N	-1	0	415.401	3.999	50	70	biogenic	HHIARM
Cc1nc2sc([C@H](c3ccc(Br)cc3F)N3CCCC3)c([O-])n2n1	ZINC000218571885	568481885	/nfs/dbraw/zinc/48/18/85/568481885.db2.gz	NJZHFHQWKULVEO-ZDUSSCGKSA-N	-1	0	411.300	3.892	50	70		HHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2C1=Cc2ccccc2OC1	ZINC000218086608	568925380	/nfs/dbraw/zinc/92/53/80/568925380.db2.gz	MCQNKCUGZITQNF-HNNXBMFYSA-N	-1	0	418.401	3.878	50	70	biogenic	HHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(O)c(Cl)c1	ZINC000218127188	568926270	/nfs/dbraw/zinc/92/62/70/568926270.db2.gz	FTYASYULJIYTGA-NSHDSACASA-N	-1	0	414.797	3.810	50	70	biogenic	HHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2C1=Cc2ccccc2OC1	ZINC000218086687	568925309	/nfs/dbraw/zinc/92/53/09/568925309.db2.gz	MCQNKCUGZITQNF-OAHLLOKOSA-N	-1	0	418.401	3.878	50	70	biogenic	HHIARM