smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1CC[C@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)O1	ZINC000159634867	389370784	/nfs/dbraw/zinc/37/07/84/389370784.db2.gz	QTDQJBBBBRWVLT-GXFFZTMASA-N	-1	3	292.335	0.806	10	70		CCIEHM
CO[C@@]1(CNS(=O)(=O)c2ccc([O-])cc2)CCOC1	ZINC000160830773	523816566	/nfs/dbraw/zinc/81/65/66/523816566.db2.gz	SCMKPCHAXUUUAX-GFCCVEGCSA-N	-1	3	287.337	0.476	10	70		CCIEHM
O=C(NCCNS(=O)(=O)c1ccc([O-])cc1)C1CC1	ZINC000160861068	526338107	/nfs/dbraw/zinc/33/81/07/526338107.db2.gz	ZMSSXULBSWNZIN-UHFFFAOYSA-N	-1	3	284.337	0.197	10	70		CCIEHM
CCc1cc(=O)[n-]c(CN2CCC[C@@H]2C(=O)N(C)C)n1	ZINC000160605602	389394393	/nfs/dbraw/zinc/39/43/93/389394393.db2.gz	PTRHJHYZEBQRTJ-LLVKDONJSA-N	-1	3	278.356	0.797	10	70		CCIEHM
CO[C@]1(CNS(=O)(=O)c2ccc([O-])cc2)CCOC1	ZINC000160830650	521773747	/nfs/dbraw/zinc/77/37/47/521773747.db2.gz	SCMKPCHAXUUUAX-LBPRGKRZSA-N	-1	3	287.337	0.476	10	70		CCIEHM
CC(C)(C)CCCNC(=O)C1CC2(C1)NC(=O)[N-]C2=O	ZINC000159386569	350676174	/nfs/dbraw/zinc/67/61/74/350676174.db2.gz	ZLERNNAIFMPXHJ-UHFFFAOYSA-N	-1	3	281.356	0.917	10	70		CCIEHM
CCc1cc(=O)[n-]c(CN2CCC[C@@H](NC(C)=O)C2)n1	ZINC000160887526	350708012	/nfs/dbraw/zinc/70/80/12/350708012.db2.gz	ZQNWSLLCPDICDQ-GFCCVEGCSA-N	-1	3	278.356	0.845	10	70		CCIEHM
C[C@H]1CC[C@@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)O1	ZINC000159635158	389370326	/nfs/dbraw/zinc/37/03/26/389370326.db2.gz	QTDQJBBBBRWVLT-GWCFXTLKSA-N	-1	3	292.335	0.806	10	70		CCIEHM
C[C@@H]1CC[C@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)O1	ZINC000159634738	389370287	/nfs/dbraw/zinc/37/02/87/389370287.db2.gz	QTDQJBBBBRWVLT-ZWNOBZJWSA-N	-1	3	292.335	0.806	10	70		CCIEHM
C[C@@H]1CC[C@@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)O1	ZINC000159635011	389370600	/nfs/dbraw/zinc/37/06/00/389370600.db2.gz	QTDQJBBBBRWVLT-MFKMUULPSA-N	-1	3	292.335	0.806	10	70		CCIEHM
CC[C@@H](C)CN(CC)C(=O)C1CC2(C1)NC(=O)[N-]C2=O	ZINC000159974369	350693515	/nfs/dbraw/zinc/69/35/15/350693515.db2.gz	JOYUYIOECHDHOA-NAUIOFCNSA-N	-1	3	281.356	0.869	10	70		CCIEHM
CCc1cc(=O)[n-]c(CN2CCC[C@H](NC(C)=O)C2)n1	ZINC000160887385	350708272	/nfs/dbraw/zinc/70/82/72/350708272.db2.gz	ZQNWSLLCPDICDQ-LBPRGKRZSA-N	-1	3	278.356	0.845	10	70		CCIEHM
CC(C)CC1(CNC(=O)C2CC3(C2)NC(=O)[N-]C3=O)CC1	ZINC000160379495	519625172	/nfs/dbraw/zinc/62/51/72/519625172.db2.gz	QKZPSODEDBEOFJ-UHFFFAOYSA-N	-1	3	293.367	0.917	10	70		CCIEHM
CC[C@H](C)CN(CC)C(=O)C1CC2(C1)NC(=O)[N-]C2=O	ZINC000159974544	350693391	/nfs/dbraw/zinc/69/33/91/350693391.db2.gz	JOYUYIOECHDHOA-IPWFMCSPSA-N	-1	3	281.356	0.869	10	70		CCIEHM