smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)O[C@H](COCc2ccccc2)[C@H](C(=O)C(C#N)=P(c2ccccc2)(c2ccccc2)c2ccccc2)O1	ZINC000101083112	554579802	/nfs/dbraw/zinc/57/98/02/554579802.db2.gz	WYQTWWUBYUBEHO-LXANVCGNSA-N	0	0	549.607	4.982	50	70		KJIARN
CC1(C)O[C@H](COCc2ccccc2)[C@@H](C(=O)C(C#N)=P(c2ccccc2)(c2ccccc2)c2ccccc2)O1	ZINC000101083114	554579742	/nfs/dbraw/zinc/57/97/42/554579742.db2.gz	WYQTWWUBYUBEHO-NDKRRWIDSA-N	0	0	549.607	4.982	50	70		KJIARN
CC1(C)O[C@@H](C(=O)C(C#N)=P(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](COCc2ccccc2)O1	ZINC000101083118	554579797	/nfs/dbraw/zinc/57/97/97/554579797.db2.gz	WYQTWWUBYUBEHO-BZKUTMRRSA-N	0	0	549.607	4.982	50	70		KJIARN
CC1(C)O[C@@H](COCc2ccccc2)[C@@H](C(=O)C(C#N)=P(c2ccccc2)(c2ccccc2)c2ccccc2)O1	ZINC000101083123	554579782	/nfs/dbraw/zinc/57/97/82/554579782.db2.gz	WYQTWWUBYUBEHO-DITALETJSA-N	0	0	549.607	4.982	50	70		KJIARN
CC1=C[C@H]([C@@H]2CC(=O)N(Cc3ccccc3Cl)C2=O)C[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]12	ZINC000217417348	571601384	/nfs/dbraw/zinc/60/13/84/571601384.db2.gz	QRQWFOADMVZXEL-XHOYROJHSA-N	0	0	511.405	4.636	50	70		KJIARN
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccc(SC)cc2)o1	ZINC000217603324	571601857	/nfs/dbraw/zinc/60/18/57/571601857.db2.gz	BNCMHNMYZZOQKS-JOCHJYFZSA-N	0	0	504.608	4.802	50	70		KJIARN
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccc(SC)cc2)o1	ZINC000217603413	571601861	/nfs/dbraw/zinc/60/18/61/571601861.db2.gz	BNCMHNMYZZOQKS-QFIPXVFZSA-N	0	0	504.608	4.802	50	70		KJIARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3cccc(-c4nnn(C)n4)c3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000217607967	571601771	/nfs/dbraw/zinc/60/17/71/571601771.db2.gz	IHDIBEWOPRETRW-MHZLTWQESA-N	0	0	655.756	4.665	50	70		KJIARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3cccnc3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000217622476	571601982	/nfs/dbraw/zinc/60/19/82/571601982.db2.gz	HSCKSGGMGVFFQX-AHWVRZQESA-N	0	0	574.678	4.723	50	70		KJIARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCc3ccncc3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000217629473	571602137	/nfs/dbraw/zinc/60/21/37/571602137.db2.gz	PKXUKAPTFORUIX-SANMLTNESA-N	0	0	588.705	4.547	50	70		KJIARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3ccc4ccn(C)c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000217645228	571602067	/nfs/dbraw/zinc/60/20/67/571602067.db2.gz	MSHONPOEKOJILE-BVZFJXPGSA-N	0	0	584.673	4.794	50	70		KJIARN
COCc1nc(-c2cccc(NC(=O)CCCNc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)c2)n[nH]1	ZINC000217969823	571602807	/nfs/dbraw/zinc/60/28/07/571602807.db2.gz	GQTAJNGIRSQSGM-SANMLTNESA-N	0	0	656.740	4.625	50	70		KJIARN