smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000262685950	165375116	/nfs/dbraw/zinc/37/51/16/165375116.db2.gz	AOCNFLLGTKMMIC-UHFFFAOYSA-N	-2	1	348.363	0.394	10	0		ECAEML
COc1ccc(S(N)(=O)=O)cc1-c1ncc(C(=O)[O-])c(=O)[n-]1	ZINC000616581863	439820618	/nfs/dbraw/zinc/82/06/18/439820618.db2.gz	IMUJTTGRTFGWLE-UHFFFAOYSA-N	-2	1	325.302	0.203	10	0		ECAEML
CC(=O)N[C@H](CSC(=S)[N-]CCCC[S@](C)=O)C(=O)[O-]	ZINC000022066630	212275166	/nfs/dbraw/zinc/27/51/66/212275166.db2.gz	IIHBKTCHILXGOT-GSDQLPOLSA-N	-2	1	340.492	0.342	10	0	in-man	ECAEML
Cc1cc(=O)n(-c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])[n-]1	ZINC000100244672	219095082	/nfs/dbraw/zinc/09/50/82/219095082.db2.gz	ZGXJVLAIEZQGHY-UHFFFAOYSA-N	-3	1	334.331	0.293	10	0		ECAEML
N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000005948807	571690350	/nfs/dbraw/zinc/69/03/50/571690350.db2.gz	PWIQCLSQVQBOQV-YPMHNXCESA-N	-2	1	333.344	0.472	10	0	endogenous,in-man	ECAEML
CSCC[C@@H]([N-]S(=O)(=O)c1sc(=O)[nH]c1C)C(=O)[O-]	ZINC000036983347	213128806	/nfs/dbraw/zinc/12/88/06/213128806.db2.gz	ULIXGGIFLNQTFR-ZCFIWIBFSA-N	-2	1	326.421	0.229	10	0		ECAEML
CC(=O)N[C@H](CSC(=S)[N-]CCCC[S@@](C)=O)C(=O)[O-]	ZINC000022066625	212275954	/nfs/dbraw/zinc/27/59/54/212275954.db2.gz	IIHBKTCHILXGOT-YBYGRFCBSA-N	-2	1	340.492	0.342	10	0	in-man	ECAEML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-]	ZINC000262477953	436937019	/nfs/dbraw/zinc/93/70/19/436937019.db2.gz	QPLHNXDUQSCRFI-SECBINFHSA-N	-2	1	347.393	0.612	10	0		ECAEML
CCCC[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC)C(=O)[O-]	ZINC000262501123	436938312	/nfs/dbraw/zinc/93/83/12/436938312.db2.gz	YLNVCOJTPQFKIM-VIFPVBQESA-N	-2	1	333.366	0.508	10	0		ECAEML
COC[C@@H](CCOCP(=O)([O-])[O-])n1cnc2c1ncnc2N	ZINC000038356354	213207528	/nfs/dbraw/zinc/20/75/28/213207528.db2.gz	ZJJCHJPFWDFCRS-MRVPVSSYSA-N	-2	1	331.269	0.138	10	0		ECAEML
COC[C@H](CCOCP(=O)([O-])[O-])n1cnc2c1ncnc2N	ZINC000038356356	213208176	/nfs/dbraw/zinc/20/81/76/213208176.db2.gz	ZJJCHJPFWDFCRS-QMMMGPOBSA-N	-2	1	331.269	0.138	10	0		ECAEML
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-]	ZINC000262477956	436936551	/nfs/dbraw/zinc/93/65/51/436936551.db2.gz	QPLHNXDUQSCRFI-VIFPVBQESA-N	-2	1	347.393	0.612	10	0		ECAEML
C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)[O-]	ZINC000042350735	436301507	/nfs/dbraw/zinc/30/15/07/436301507.db2.gz	PHEAEZNFXBKJLA-INEUFUBQSA-N	-2	1	344.208	0.623	10	0		ECAEML
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000005948784	571690379	/nfs/dbraw/zinc/69/03/79/571690379.db2.gz	PWIQCLSQVQBOQV-WCQYABFASA-N	-2	1	333.344	0.472	10	0	endogenous,in-man	ECAEML
C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](CO)C(=O)[O-])c([O-])c2C(=O)O1	ZINC000005763923	201362147	/nfs/dbraw/zinc/36/21/47/201362147.db2.gz	NZSINNOZGVDSIC-ANLVUFKYSA-N	-2	1	343.719	0.322	10	0		ECAEML
C[N-]S(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCC(C)CC2)o1	ZINC000262072231	165285919	/nfs/dbraw/zinc/28/59/19/165285919.db2.gz	CNVYVIBJTBRZFX-UHFFFAOYSA-N	-2	1	344.389	0.951	10	0		ECAEML
COC(=O)/C=C/C(=O)N[C@H](Cc1ccc([O-])c(Cl)c1)C(=O)[O-]	ZINC000013347543	436061751	/nfs/dbraw/zinc/06/17/51/436061751.db2.gz	KCOKHEIACSQLBQ-ORAHPGNNSA-N	-2	1	327.720	0.887	10	0		ECAEML
CCCC[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC)C(=O)[O-]	ZINC000262600596	282919335	/nfs/dbraw/zinc/91/93/35/282919335.db2.gz	YLNVCOJTPQFKIM-SECBINFHSA-N	-2	1	333.366	0.508	10	0		ECAEML
COCC[C@H](COCP(=O)([O-])[O-])n1cnc2c1ncnc2N	ZINC000038356359	213207849	/nfs/dbraw/zinc/20/78/49/213207849.db2.gz	GVIQPXIHOVVISX-MRVPVSSYSA-N	-2	1	331.269	0.138	10	0		ECAEML
Cc1cnn(CCNC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1	ZINC000174962185	231355058	/nfs/dbraw/zinc/35/50/58/231355058.db2.gz	OOJZXWJPSYYJLB-UHFFFAOYSA-N	-2	1	328.332	0.267	10	0		ECAEML
CSCC[C@H]([N-]S(=O)(=O)c1sc(=O)[nH]c1C)C(=O)[O-]	ZINC000036983346	213128183	/nfs/dbraw/zinc/12/81/83/213128183.db2.gz	ULIXGGIFLNQTFR-LURJTMIESA-N	-2	1	326.421	0.229	10	0		ECAEML
N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000005948809	571690420	/nfs/dbraw/zinc/69/04/20/571690420.db2.gz	PWIQCLSQVQBOQV-DGCLKSJQSA-N	-2	1	333.344	0.472	10	0	endogenous,in-man	ECAEML
COCC[C@@H](COCP(=O)([O-])[O-])n1cnc2c1ncnc2N	ZINC000038356357	213207373	/nfs/dbraw/zinc/20/73/73/213207373.db2.gz	GVIQPXIHOVVISX-QMMMGPOBSA-N	-2	1	331.269	0.138	10	0		ECAEML