smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[P@](=O)([O-])O)cc1)C(C)C)C(=O)[O-]	ZINC000027438126	561860462	/nfs/dbraw/zinc/86/04/62/561860462.db2.gz	MCOQGYPLWXQRDE-MUGJNUQGSA-N	-1	2	588.620	0.482	10	0		KCAELM
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[P@@](=O)([O-])O)cc1)C(C)C)C(=O)[O-]	ZINC000027438126	561860460	/nfs/dbraw/zinc/86/04/60/561860460.db2.gz	MCOQGYPLWXQRDE-MUGJNUQGSA-N	-1	2	588.620	0.482	10	0		KCAELM
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCCCC[C@H](NC=O)C(=O)[O-])[NH2+][C@@H]1C(=O)[O-]	ZINC000031539990	562036246	/nfs/dbraw/zinc/03/62/46/562036246.db2.gz	TXKNSNYUJUCKMI-ZCDKGFTFSA-N	-1	2	508.597	0.094	10	0	in-man	KCAELM
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCCCC[C@H](NC=O)C(=O)[O-])[NH2+][C@H]1C(=O)[O-]	ZINC000031539999	562036244	/nfs/dbraw/zinc/03/62/44/562036244.db2.gz	TXKNSNYUJUCKMI-ZNWBIBPKSA-N	-1	2	508.597	0.094	10	0	in-man	KCAELM
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000097972816	553967478	/nfs/dbraw/zinc/96/74/78/553967478.db2.gz	ZILMZAQLFLKJPG-ZKGSSEMHSA-N	-1	2	711.729	0.350	10	0		KCAELM
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000097972816	553967475	/nfs/dbraw/zinc/96/74/75/553967475.db2.gz	ZILMZAQLFLKJPG-ZKGSSEMHSA-N	-1	2	711.729	0.350	10	0		KCAELM
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000097972817	553967494	/nfs/dbraw/zinc/96/74/94/553967494.db2.gz	ZILMZAQLFLKJPG-NGSHPTGOSA-N	-1	2	711.729	0.350	10	0		KCAELM
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000097972817	553967491	/nfs/dbraw/zinc/96/74/91/553967491.db2.gz	ZILMZAQLFLKJPG-NGSHPTGOSA-N	-1	2	711.729	0.350	10	0		KCAELM
CC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F)C(C)C	ZINC000150668678	571528775	/nfs/dbraw/zinc/52/87/75/571528775.db2.gz	GWQXSBZVMCUPKL-LFYAFONDSA-N	-1	2	751.672	0.671	10	0		KCAELM
CC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F)C(C)C	ZINC000150668678	571528773	/nfs/dbraw/zinc/52/87/73/571528773.db2.gz	GWQXSBZVMCUPKL-LFYAFONDSA-N	-1	2	751.672	0.671	10	0		KCAELM
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCCCC[C@@H](NC=O)C(=O)[O-])[NH2+][C@@H]1C(=O)[O-]	ZINC000169292350	562852019	/nfs/dbraw/zinc/85/20/19/562852019.db2.gz	TXKNSNYUJUCKMI-DLVXIWMQSA-N	-1	2	508.597	0.094	10	0	in-man	KCAELM