smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nn([C@@]2(C)CCS(=O)(=O)C2)c(C)c1[C@@H](CC(N)=O)c1c(C)[n-][nH]c1=O	ZINC000218227138	570328362	/nfs/dbraw/zinc/32/83/62/570328362.db2.gz	SDKQYFQWECWOLS-PXAZEXFGSA-N	-1	1	395.485	0.366	50	70		GCIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1cc2ccccc2[nH]c1=O	ZINC000218162885	570326843	/nfs/dbraw/zinc/32/68/43/570326843.db2.gz	OURPVEXPIFCHCT-LLVKDONJSA-N	-1	1	384.392	0.657	50	70		GCIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1cc2ccccc2[nH]c1=O	ZINC000218162974	570326961	/nfs/dbraw/zinc/32/69/61/570326961.db2.gz	OURPVEXPIFCHCT-NSHDSACASA-N	-1	1	384.392	0.657	50	70		GCIAMM
Cc1nn([C@@]2(C)CCS(=O)(=O)C2)c(C)c1[C@H](CC(N)=O)c1c(C)[n-][nH]c1=O	ZINC000218227085	570328333	/nfs/dbraw/zinc/32/83/33/570328333.db2.gz	SDKQYFQWECWOLS-SJCJKPOMSA-N	-1	1	395.485	0.366	50	70		GCIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc2c(c1)OCCO2	ZINC000218430332	528907100	/nfs/dbraw/zinc/90/71/00/528907100.db2.gz	QZKSAGLINLPTLM-NSHDSACASA-N	-1	1	375.381	0.587	50	70		GCIAMM
Cc1nn([C@]2(C)CCS(=O)(=O)C2)c(C)c1[C@H](CC(N)=O)c1c(C)[n-][nH]c1=O	ZINC000218227210	570328315	/nfs/dbraw/zinc/32/83/15/570328315.db2.gz	SDKQYFQWECWOLS-YVEFUNNKSA-N	-1	1	395.485	0.366	50	70		GCIAMM
Cc1cc(=O)[n-]c(S[C@@H](C)C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)n1	ZINC000218274894	222585644	/nfs/dbraw/zinc/58/56/44/222585644.db2.gz	IXNZJKCMGBUZGN-LBPRGKRZSA-N	-1	1	375.454	0.872	50	70		GCIAMM
Cc1nn([C@]2(C)CCS(=O)(=O)C2)c(C)c1[C@@H](CC(N)=O)c1c(C)[n-][nH]c1=O	ZINC000218227294	570328410	/nfs/dbraw/zinc/32/84/10/570328410.db2.gz	SDKQYFQWECWOLS-SJKOYZFVSA-N	-1	1	395.485	0.366	50	70		GCIAMM
Cc1cc(=O)[n-]c(S[C@H](C)C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)n1	ZINC000218274957	208834754	/nfs/dbraw/zinc/83/47/54/208834754.db2.gz	IXNZJKCMGBUZGN-GFCCVEGCSA-N	-1	1	375.454	0.872	50	70		GCIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccc2c(c1)OCCO2	ZINC000218430258	528906964	/nfs/dbraw/zinc/90/69/64/528906964.db2.gz	QZKSAGLINLPTLM-LLVKDONJSA-N	-1	1	375.381	0.587	50	70		GCIAMM