smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@@H]1C[C@@H](O)[C@@H]([NH3+])C[C@@H]1N	40479427	169160679	/nfs/dbraw/zinc/16/06/79/169160679.db2.gz	DFHXGRZSKZZGPA-DPYQTVNSSA-N	1	1	173.216	-2.103	1	0		AAAFMO
NC(=O)[C@H]1C[C@H](O)[C@@H]([NH3+])C[C@H]1N	27073208	169163842	/nfs/dbraw/zinc/16/38/42/169163842.db2.gz	DFHXGRZSKZZGPA-FSIIMWSLSA-N	1	1	173.216	-2.103	1	0		AAAFMO
NC(=O)[C@H]1C[C@H](O)[C@@H]([NH3+])C[C@@H]1N	27073216	169163895	/nfs/dbraw/zinc/16/38/95/169163895.db2.gz	DFHXGRZSKZZGPA-BXKVDMCESA-N	1	1	173.216	-2.103	1	0		AAAFMO
NC(=O)[C@H]1C[C@@H](O)[C@@H]([NH3+])C[C@@H]1N	40479424	169163931	/nfs/dbraw/zinc/16/39/31/169163931.db2.gz	DFHXGRZSKZZGPA-OMMKOOBNSA-N	1	1	173.216	-2.103	1	0		AAAFMO
NC(=O)[C@H]1C[C@H](O)[C@H]([NH3+])C[C@@H]1N	27073215	169164263	/nfs/dbraw/zinc/16/42/63/169164263.db2.gz	DFHXGRZSKZZGPA-AZGQCCRYSA-N	1	1	173.216	-2.103	1	0		AAAFMO
NC(=O)[C@H]1C[C@H](O)[C@H]([NH3+])C[C@H]1N	27073201	169164271	/nfs/dbraw/zinc/16/42/71/169164271.db2.gz	DFHXGRZSKZZGPA-KCDKBNATSA-N	1	1	173.216	-2.103	1	0		AAAFMO
[NH3+][C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	12953338	169279362	/nfs/dbraw/zinc/27/93/62/169279362.db2.gz	WCWOEQFAYSXBRK-TVIMKVIFSA-N	1	1	179.172	-3.255	1	0		AAAFMO
N[C@@H]1C[C@H]([NH3+])[C@@H](O)C(O)[C@H]1O	1529478	560180907	/nfs/dbraw/zinc/18/09/07/560180907.db2.gz	DTFAJAKTSMLKAT-KFJBKXNJSA-N	1	1	162.189	-2.873	1	0	in-vitro	AAAFMO
N[C@H]1C[C@@H]([NH3+])[C@H](O)C(O)[C@@H]1O	1529478	560180909	/nfs/dbraw/zinc/18/09/09/560180909.db2.gz	DTFAJAKTSMLKAT-KFJBKXNJSA-N	1	1	162.189	-2.873	1	0	in-vitro	AAAFMO
N[C@@H]1C[C@H]([NH3+])[C@@H](O)C(O)[C@@H]1O	1583317	560182543	/nfs/dbraw/zinc/18/25/43/560182543.db2.gz	DTFAJAKTSMLKAT-CBPJZXOFSA-N	1	1	162.189	-2.873	1	0	in-vitro	AAAFMO
N[C@H]1C[C@@H]([NH3+])[C@@H](O)C(O)[C@@H]1O	1583317	560182544	/nfs/dbraw/zinc/18/25/44/560182544.db2.gz	DTFAJAKTSMLKAT-CBPJZXOFSA-N	1	1	162.189	-2.873	1	0	in-vitro	AAAFMO
N[C@@H]1C[C@H]([NH3+])[C@H](O)C(O)[C@@H]1O	5125109	560200694	/nfs/dbraw/zinc/20/06/94/560200694.db2.gz	DTFAJAKTSMLKAT-VJTZZWJDSA-N	1	1	162.189	-2.873	1	0	in-vitro	AAAFMO
N[C@H]1C[C@@H]([NH3+])[C@@H](O)C(O)[C@H]1O	5125109	560200696	/nfs/dbraw/zinc/20/06/96/560200696.db2.gz	DTFAJAKTSMLKAT-VJTZZWJDSA-N	1	1	162.189	-2.873	1	0	in-vitro	AAAFMO
N[C@@H]1C[C@@H]([NH3+])[C@H](O)C(O)[C@@H]1O	5125110	560200724	/nfs/dbraw/zinc/20/07/24/560200724.db2.gz	DTFAJAKTSMLKAT-RSVSWTKNSA-N	1	1	162.189	-2.873	1	0	in-vitro	AAAFMO
N[C@@H]1C[C@@H]([NH3+])[C@@H](O)C(O)[C@H]1O	5125110	560200725	/nfs/dbraw/zinc/20/07/25/560200725.db2.gz	DTFAJAKTSMLKAT-RSVSWTKNSA-N	1	1	162.189	-2.873	1	0	in-vitro	AAAFMO
OC[C@H]1[NH2+][C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O	5975497	560204024	/nfs/dbraw/zinc/20/40/24/560204024.db2.gz	BGMYHTUCJVZIRP-URLGYRAOSA-N	1	1	179.172	-3.648	1	0	in-vitro	AAAFMO
OC[C@@H]1[NH2+][C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O	5975514	560204107	/nfs/dbraw/zinc/20/41/07/560204107.db2.gz	BGMYHTUCJVZIRP-RUTHBDMASA-N	1	1	179.172	-3.648	1	0	in-vitro	AAAFMO
N[C@@H]1C[C@H]([NH3+])[C@H](O)C(O)[C@H]1O	11525544	560211292	/nfs/dbraw/zinc/21/12/92/560211292.db2.gz	DTFAJAKTSMLKAT-QRXFDPRISA-N	1	1	162.189	-2.873	1	0	in-vitro	AAAFMO
N[C@H]1C[C@@H]([NH3+])[C@H](O)C(O)[C@H]1O	11525544	560211295	/nfs/dbraw/zinc/21/12/95/560211295.db2.gz	DTFAJAKTSMLKAT-QRXFDPRISA-N	1	1	162.189	-2.873	1	0	in-vitro	AAAFMO