smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(Cc2nc3ccccc3n2C[C@H](C)C(=O)[O-])cc1	ZINC000004243842	431297248	/nfs/dbraw/zinc/29/72/48/431297248.db2.gz	KTDFMXMQBJVZIO-ZDUSSCGKSA-N	-1	0	324.380	3.356	30	0		DGACRM
Cc1nc2sc3c(c2c(N[C@@H](C)C(=O)[O-])n1)CC[C@@H](C)C3	ZINC000004294313	431295509	/nfs/dbraw/zinc/29/55/09/431295509.db2.gz	DYNKFENPYUDJJF-SFYZADRCSA-N	-1	0	305.403	3.010	30	0		DGACRM
Cc1nc2sc3c(c2c(NCCCC(=O)[O-])n1)CC[C@@H](C)C3	ZINC000004294309	181093481	/nfs/dbraw/zinc/09/34/81/181093481.db2.gz	KJPNQSBQTRINLY-SECBINFHSA-N	-1	0	319.430	3.401	30	0		DGACRM
C[C@H]1CCc2c(sc3ncnc(NCCCC(=O)[O-])c32)C1	ZINC000004294320	181093606	/nfs/dbraw/zinc/09/36/06/181093606.db2.gz	MMFSDUDNIVGBDD-VIFPVBQESA-N	-1	0	305.403	3.093	30	0		DGACRM
C[C@@H]1CCCc2sc3ncnc(NCCCC(=O)[O-])c3c21	ZINC000004294335	181093463	/nfs/dbraw/zinc/09/34/63/181093463.db2.gz	WSIKBGSWURHWLV-SECBINFHSA-N	-1	0	305.403	3.408	30	0		DGACRM
Cc1nc2sc3c(c2c(NCCC(=O)[O-])n1)CC[C@H](C)C3	ZINC000004294312	431297008	/nfs/dbraw/zinc/29/70/08/431297008.db2.gz	WTMUHLOEBDVTEV-QMMMGPOBSA-N	-1	0	305.403	3.011	30	0		DGACRM
COc1ccc(Cc2nc3ccccc3n2C[C@@H](C)C(=O)[O-])cc1	ZINC000004243844	431297662	/nfs/dbraw/zinc/29/76/62/431297662.db2.gz	KTDFMXMQBJVZIO-CYBMUJFWSA-N	-1	0	324.380	3.356	30	0		DGACRM
Cc1nc2sc3c(c2c(N[C@@H](C)C(=O)[O-])n1)CC[C@H](C)C3	ZINC000004294314	302687060	/nfs/dbraw/zinc/68/70/60/302687060.db2.gz	DYNKFENPYUDJJF-YUMQZZPRSA-N	-1	0	305.403	3.010	30	0		DGACRM
C[C@@H]1CCc2c(sc3ncnc(NCCCC(=O)[O-])c32)C1	ZINC000004294319	181093834	/nfs/dbraw/zinc/09/38/34/181093834.db2.gz	MMFSDUDNIVGBDD-SECBINFHSA-N	-1	0	305.403	3.093	30	0		DGACRM
Cc1nc2sc3c(c2c(N[C@H](C)C(=O)[O-])n1)CC[C@@H](C)C3	ZINC000004294315	302687025	/nfs/dbraw/zinc/68/70/25/302687025.db2.gz	DYNKFENPYUDJJF-HTQZYQBOSA-N	-1	0	305.403	3.010	30	0		DGACRM
Cc1nc2sc3c(c2c(N[C@H](C)C(=O)[O-])n1)CC[C@H](C)C3	ZINC000004294316	431298317	/nfs/dbraw/zinc/29/83/17/431298317.db2.gz	DYNKFENPYUDJJF-JGVFFNPUSA-N	-1	0	305.403	3.010	30	0		DGACRM
CCc1nnc(SCC(=O)[O-])n1-c1cccc2ccccc21	ZINC000004245079	431298450	/nfs/dbraw/zinc/29/84/50/431298450.db2.gz	IMTHSDSGEAJKNI-UHFFFAOYSA-N	-1	0	313.382	3.160	30	0		DGACRM
O=C([O-])c1c(F)c(F)cc(Br)c1Br	ZINC000067800193	304217392	/nfs/dbraw/zinc/21/73/92/304217392.db2.gz	XYVHXUWKHAALEF-UHFFFAOYSA-N	-1	0	315.895	3.188	30	0		DGACRM
Cc1nc2sc3c(c2c(N[C@@H](C)C(=O)[O-])n1)[C@H](C)CCC3	ZINC000004294330	181093383	/nfs/dbraw/zinc/09/33/83/181093383.db2.gz	MGOIDKGQNCZADJ-SFYZADRCSA-N	-1	0	305.403	3.325	30	0		DGACRM
O=C([O-])CCCNc1ncnc2c(Cl)cc(Cl)cc12	ZINC000004294372	181093634	/nfs/dbraw/zinc/09/36/34/181093634.db2.gz	WSHHZIUSCVHTCL-UHFFFAOYSA-N	-1	0	300.145	3.213	30	0		DGACRM
COc1ccc(-c2nc3cc(C)ccn3c2/C=C/C(=O)[O-])cc1	ZINC000031973171	431769276	/nfs/dbraw/zinc/76/92/76/431769276.db2.gz	LNSAHEYWXCTOCS-BQYQJAHWSA-N	-1	0	308.337	3.416	30	0		DGACRM
O=C([O-])c1c(F)c(Br)cc(F)c1Br	ZINC000067800198	304217177	/nfs/dbraw/zinc/21/71/77/304217177.db2.gz	ADTKZZCYCASGJX-UHFFFAOYSA-N	-1	0	315.895	3.188	30	0		DGACRM
C[C@H]1CCCc2sc3ncnc(NCCCC(=O)[O-])c3c21	ZINC000004294336	181093919	/nfs/dbraw/zinc/09/39/19/181093919.db2.gz	WSIKBGSWURHWLV-VIFPVBQESA-N	-1	0	305.403	3.408	30	0		DGACRM
COc1ccc(Cc2nc3ccccc3n2CCC(=O)[O-])cc1	ZINC000004243835	431296518	/nfs/dbraw/zinc/29/65/18/431296518.db2.gz	WLUUBLSMUKYDFT-UHFFFAOYSA-N	-1	0	310.353	3.110	30	0		DGACRM
Cc1nc2sc3c(c2c(N[C@H](C)C(=O)[O-])n1)[C@H](C)CCC3	ZINC000004294332	181093710	/nfs/dbraw/zinc/09/37/10/181093710.db2.gz	MGOIDKGQNCZADJ-HTQZYQBOSA-N	-1	0	305.403	3.325	30	0		DGACRM
Cc1nc2sc3c(c2c(NCCC(=O)[O-])n1)CC[C@@H](C)C3	ZINC000004294311	302686581	/nfs/dbraw/zinc/68/65/81/302686581.db2.gz	WTMUHLOEBDVTEV-MRVPVSSYSA-N	-1	0	305.403	3.011	30	0		DGACRM
Cc1nc2sc3c(c2c(N[C@@H](C)C(=O)[O-])n1)[C@@H](C)CCC3	ZINC000004294329	181093728	/nfs/dbraw/zinc/09/37/28/181093728.db2.gz	MGOIDKGQNCZADJ-YUMQZZPRSA-N	-1	0	305.403	3.325	30	0		DGACRM
Cc1nc2sc3c(c2c(NCCCC(=O)[O-])n1)CC[C@H](C)C3	ZINC000004294310	181093775	/nfs/dbraw/zinc/09/37/75/181093775.db2.gz	KJPNQSBQTRINLY-VIFPVBQESA-N	-1	0	319.430	3.401	30	0		DGACRM
Cc1nc2sc3c(c2c(N[C@H](C)C(=O)[O-])n1)[C@@H](C)CCC3	ZINC000004294331	181093840	/nfs/dbraw/zinc/09/38/40/181093840.db2.gz	MGOIDKGQNCZADJ-JGVFFNPUSA-N	-1	0	305.403	3.325	30	0		DGACRM