smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OCc2ccccn2)cc1	ZINC000218140453	568475806	/nfs/dbraw/zinc/47/58/06/568475806.db2.gz	FDRPUPOHWSQXDM-KRWDZBQOSA-N	-1	1	424.457	1.790	50	70		HDIAMM
COc1ccc2nc(N3CCOCC3)c([C@H](CC(N)=O)c3c(C)[n-][nH]c3=O)cc2c1	ZINC000218313118	568478229	/nfs/dbraw/zinc/47/82/29/568478229.db2.gz	IIBANUFSQHBPQT-HNNXBMFYSA-N	-1	1	411.462	1.412	50	70		HDIAMM
COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218053231	568924977	/nfs/dbraw/zinc/92/49/77/568924977.db2.gz	RGNAMBMKNZIASR-NSHDSACASA-N	-1	1	421.402	1.588	50	70	biogenic	HDIAMM
COC(=O)C[C@H](c1cc2c(c(Cl)c1)OCO2)c1c(=O)[nH]cc(C(=O)OC)c1[O-]	ZINC000218090083	568925270	/nfs/dbraw/zinc/92/52/70/568925270.db2.gz	IQIRVGWHKKOMQN-SECBINFHSA-N	-1	1	409.778	1.944	50	70	biogenic	HDIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc(OCc2cccnc2)c1	ZINC000218168630	568476010	/nfs/dbraw/zinc/47/60/10/568476010.db2.gz	DKCDKUQUXLBOAO-KRWDZBQOSA-N	-1	1	424.457	1.790	50	70		HDIAMM
COC(=O)C[C@@H](c1cc2c(c(Cl)c1)OCO2)c1c(=O)[nH]cc(C(=O)OC)c1[O-]	ZINC000218090162	568925357	/nfs/dbraw/zinc/92/53/57/568925357.db2.gz	IQIRVGWHKKOMQN-VIFPVBQESA-N	-1	1	409.778	1.944	50	70	biogenic	HDIAMM
COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CC3)c1c(=O)[nH]cc(C(=O)OC)c1[O-]	ZINC000218005352	568922654	/nfs/dbraw/zinc/92/26/54/568922654.db2.gz	UAPYXPAGXWEXRS-ZDUSSCGKSA-N	-1	1	424.409	1.433	50	70	biogenic	HDIAMM
COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218081522	568925192	/nfs/dbraw/zinc/92/51/92/568925192.db2.gz	DLDJZOLPOFARNW-SNVBAGLBSA-N	-1	1	407.375	1.285	50	70	biogenic	HDIAMM
COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218053161	568924903	/nfs/dbraw/zinc/92/49/03/568924903.db2.gz	RGNAMBMKNZIASR-LLVKDONJSA-N	-1	1	421.402	1.588	50	70	biogenic	HDIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(OCc2ccccn2)cc1	ZINC000218140375	568475763	/nfs/dbraw/zinc/47/57/63/568475763.db2.gz	FDRPUPOHWSQXDM-QGZVFWFLSA-N	-1	1	424.457	1.790	50	70		HDIAMM
COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218081604	568925143	/nfs/dbraw/zinc/92/51/43/568925143.db2.gz	DLDJZOLPOFARNW-JTQLQIEISA-N	-1	1	407.375	1.285	50	70	biogenic	HDIAMM
COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c(=O)[nH]cc(C(=O)OC)c1[O-]	ZINC000218111524	568925946	/nfs/dbraw/zinc/92/59/46/568925946.db2.gz	NOCRXLDIBZMURY-NSHDSACASA-N	-1	1	419.386	1.342	50	70	biogenic	HDIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1cccc(OCc2cccnc2)c1	ZINC000218168547	568476056	/nfs/dbraw/zinc/47/60/56/568476056.db2.gz	DKCDKUQUXLBOAO-QGZVFWFLSA-N	-1	1	424.457	1.790	50	70		HDIAMM
COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218094487	568925548	/nfs/dbraw/zinc/92/55/48/568925548.db2.gz	DEMYATQMHSWBBW-NSHDSACASA-N	-1	1	421.402	1.588	50	70	biogenic	HDIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(OC(F)(F)F)cc1	ZINC000218287170	568477514	/nfs/dbraw/zinc/47/75/14/568477514.db2.gz	CNTWSDVXCWCSII-LLVKDONJSA-N	-1	1	401.341	1.715	50	70		HDIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OC(F)(F)F)cc1	ZINC000218287202	568477580	/nfs/dbraw/zinc/47/75/80/568477580.db2.gz	CNTWSDVXCWCSII-NSHDSACASA-N	-1	1	401.341	1.715	50	70		HDIAMM
COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1c(=O)[nH]cc(C(=O)OC)c1[O-]	ZINC000218111449	568925898	/nfs/dbraw/zinc/92/58/98/568925898.db2.gz	NOCRXLDIBZMURY-LLVKDONJSA-N	-1	1	419.386	1.342	50	70	biogenic	HDIAMM
COc1ccc2nc(N3CCOCC3)c([C@@H](CC(N)=O)c3c(C)[n-][nH]c3=O)cc2c1	ZINC000218313199	568478209	/nfs/dbraw/zinc/47/82/09/568478209.db2.gz	IIBANUFSQHBPQT-OAHLLOKOSA-N	-1	1	411.462	1.412	50	70		HDIAMM
COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CC3)c1c(=O)[nH]cc(C(=O)OC)c1[O-]	ZINC000218005444	568922672	/nfs/dbraw/zinc/92/26/72/568922672.db2.gz	UAPYXPAGXWEXRS-CYBMUJFWSA-N	-1	1	424.409	1.433	50	70	biogenic	HDIAMM
COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218094415	568925540	/nfs/dbraw/zinc/92/55/40/568925540.db2.gz	DEMYATQMHSWBBW-LLVKDONJSA-N	-1	1	421.402	1.588	50	70	biogenic	HDIAMM