smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH2+]=C1NCCC[C@@H](C(=O)[O-])NC(=O)CNC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]2C[NH2+][C@H](C2)C(=O)N1	ZINC000029133240	563075936	/nfs/dbraw/zinc/07/59/36/563075936.db2.gz	HWQCIVMCAIEOPT-XWLWVQCSSA-N	2	2	440.461	-4.539	1	0	in-vivo	IAAFLP
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC(=O)N(CC[NH3+])C(=O)N1	ZINC000040684910	563105891	/nfs/dbraw/zinc/10/58/91/563105891.db2.gz	WGUMAXGGRADHDJ-AVGNSLFASA-N	2	2	434.457	-2.818	1	0		IAAFLP
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC(=O)N(CC[NH3+])C(=O)N1	ZINC000040684910	563105889	/nfs/dbraw/zinc/10/58/89/563105889.db2.gz	WGUMAXGGRADHDJ-AVGNSLFASA-N	2	2	434.457	-2.818	1	0		IAAFLP
N[C@H](C[NH3+])SC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O	ZINC000043562077	563120813	/nfs/dbraw/zinc/12/08/13/563120813.db2.gz	YYBOTUYRISQTRL-VQHWZUAASA-N	4	2	440.523	-5.388	1	0		IAAFLP
N[C@@H](C[NH3+])SC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O	ZINC000043562078	563120878	/nfs/dbraw/zinc/12/08/78/563120878.db2.gz	YYBOTUYRISQTRL-BDXWNNNZSA-N	4	2	440.523	-5.388	1	0		IAAFLP
[NH3+][C@H](CO)SC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O	ZINC000044069905	563121509	/nfs/dbraw/zinc/12/15/09/563121509.db2.gz	HWDKQLAWADCKCW-VQHWZUAASA-N	4	2	441.507	-5.354	1	0		IAAFLP
[NH3+][C@@H](CO)SC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O	ZINC000044069908	563121566	/nfs/dbraw/zinc/12/15/66/563121566.db2.gz	HWDKQLAWADCKCW-BDXWNNNZSA-N	4	2	441.507	-5.354	1	0		IAAFLP
O=C(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1OC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1	ZINC000072179567	563166575	/nfs/dbraw/zinc/16/65/75/563166575.db2.gz	WASQJNJVOQBCCU-BTFPBAQTSA-N	2	2	440.428	-1.078	1	0		IAAFLP
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC(=O)N(CC[NH3+])C(=O)N1	ZINC000095680279	563194369	/nfs/dbraw/zinc/19/43/69/563194369.db2.gz	WGUMAXGGRADHDJ-AGIUHOORSA-N	2	2	434.457	-2.818	1	0		IAAFLP
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC(=O)N(CC[NH3+])C(=O)N1	ZINC000095680279	563194367	/nfs/dbraw/zinc/19/43/67/563194367.db2.gz	WGUMAXGGRADHDJ-AGIUHOORSA-N	2	2	434.457	-2.818	1	0		IAAFLP