smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)NC(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2C[N@@H+](C)CCN32)C1=O	ZINC000016956744	553585227	/nfs/dbraw/zinc/58/52/27/553585227.db2.gz	AQJFCMVABYIHRY-HKBKRHGFSA-N	1	2	507.507	-0.724	50	30		KBEALO
C=CCN1C(=O)NC(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2C[N@H+](C)CCN32)C1=O	ZINC000016956744	553585223	/nfs/dbraw/zinc/58/52/23/553585223.db2.gz	AQJFCMVABYIHRY-HKBKRHGFSA-N	1	2	507.507	-0.724	50	30		KBEALO
C=CCN1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2C[N@@H+](C)CCN32)C(=O)NC1=S	ZINC000017014239	553586585	/nfs/dbraw/zinc/58/65/85/553586585.db2.gz	PEEUZZNVZOPZOP-HKBKRHGFSA-N	1	2	523.575	-0.559	50	30		KBEALO
C=CCN1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2C[N@H+](C)CCN32)C(=O)NC1=S	ZINC000017014239	553586584	/nfs/dbraw/zinc/58/65/84/553586584.db2.gz	PEEUZZNVZOPZOP-HKBKRHGFSA-N	1	2	523.575	-0.559	50	30		KBEALO
C=CCN1C(=O)NC(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2C[N@@H+](CC)CCN32)C1=O	ZINC000017027356	553586911	/nfs/dbraw/zinc/58/69/11/553586911.db2.gz	XFFSMSYIBIKXJY-XOQYZJNISA-N	1	2	521.534	-0.334	50	30		KBEALO
C=CCN1C(=O)NC(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2C[N@H+](CC)CCN32)C1=O	ZINC000017027356	553586906	/nfs/dbraw/zinc/58/69/06/553586906.db2.gz	XFFSMSYIBIKXJY-XOQYZJNISA-N	1	2	521.534	-0.334	50	30		KBEALO
C=CCN1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2C[N@@H+](CC)CCN32)C(=O)NC1=S	ZINC000097968318	553930305	/nfs/dbraw/zinc/93/03/05/553930305.db2.gz	ISFAWALUWMOYQJ-XOQYZJNISA-N	1	2	537.602	-0.169	50	30		KBEALO
C=CCN1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2C[N@H+](CC)CCN32)C(=O)NC1=S	ZINC000097968318	553930303	/nfs/dbraw/zinc/93/03/03/553930303.db2.gz	ISFAWALUWMOYQJ-XOQYZJNISA-N	1	2	537.602	-0.169	50	30		KBEALO
Cn1c(O)c(C(=O)/C=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2C[N@H+](C)CCN32)c(=O)n(C)c1=O	ZINC000101374673	554746169	/nfs/dbraw/zinc/74/61/69/554746169.db2.gz	VIJPTLVBCGIIKD-QRBZPYHOSA-N	1	2	550.572	-0.601	50	30		KBEALO
Cn1c(O)c(C(=O)/C=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2C[N@@H+](C)CCN32)c(=O)n(C)c1=O	ZINC000101374673	554746167	/nfs/dbraw/zinc/74/61/67/554746167.db2.gz	VIJPTLVBCGIIKD-QRBZPYHOSA-N	1	2	550.572	-0.601	50	30		KBEALO
Cn1c(O)c(C(=O)/C=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2C[N@H+](C)CCN32)c(=O)n(C)c1=O	ZINC000101374676	554746115	/nfs/dbraw/zinc/74/61/15/554746115.db2.gz	VIJPTLVBCGIIKD-XSBJJCPUSA-N	1	2	550.572	-0.601	50	30		KBEALO
Cn1c(O)c(C(=O)/C=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2C[N@@H+](C)CCN32)c(=O)n(C)c1=O	ZINC000101374676	554746112	/nfs/dbraw/zinc/74/61/12/554746112.db2.gz	VIJPTLVBCGIIKD-XSBJJCPUSA-N	1	2	550.572	-0.601	50	30		KBEALO