smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)[C@@H]1[C@@H](O)O[C@H]2[C@@H](O)CO[C@H]21	ZINC000000039940	387216609	/nfs/dbraw/zinc/21/66/09/387216609.db2.gz	JWGSLHUUFGFOCS-LJASKYJCSA-N	1	0	204.246	-1.462	50	5		BABARO
C[N+](C)(C)[C@H]1[C@H](O)O[C@H]2[C@@H]1OC[C@@H]2O	ZINC000001093214	383889516	/nfs/dbraw/zinc/88/95/16/383889516.db2.gz	JWGSLHUUFGFOCS-XDQCBXAXSA-N	1	0	204.246	-1.462	50	5		BABARO
[NH3+]CCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000002537895	181394201	/nfs/dbraw/zinc/39/42/01/181394201.db2.gz	BTHGLZZLEALEDO-UHFFFAOYSA-N	1	0	213.197	-1.134	50	5		BABARO
C[N+](C)(C)[C@@H]1[C@H]2OC[C@@H](O)[C@H]2O[C@@H]1O	ZINC000004531102	541479385	/nfs/dbraw/zinc/47/93/85/541479385.db2.gz	JWGSLHUUFGFOCS-OKNNCHMLSA-N	1	0	204.246	-1.462	50	5		BABARO
C[N+](C)(C)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	ZINC000004566614	384988807	/nfs/dbraw/zinc/98/88/07/384988807.db2.gz	AKBIDZFJECEDFQ-UYXSQOIJSA-N	1	0	224.277	-2.872	50	5		BABARO
Cn1c(N)nc(NC(N)=[NH2+])c([N+](=O)[O-])c1=O	ZINC000005344124	346191059	/nfs/dbraw/zinc/19/10/59/346191059.db2.gz	HICGJXUVEXQZHE-UHFFFAOYSA-N	1	0	227.184	-1.424	50	5		BABARO
C[N+](C)(C)[C@@H]1[C@H]2OC[C@H](O)[C@H]2O[C@@H]1O	ZINC000005748872	384128073	/nfs/dbraw/zinc/12/80/73/384128073.db2.gz	JWGSLHUUFGFOCS-CBHQDSPSSA-N	1	0	204.246	-1.462	50	5		BABARO
C[N+](C)(C)[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O	ZINC000005748873	342769477	/nfs/dbraw/zinc/76/94/77/342769477.db2.gz	SYZAECJPHGGBMC-OKNNCHMLSA-N	1	0	222.261	-2.508	50	5		BABARO
C[N+](C)(C)[C@@H]1[C@@H](O)O[C@@H]2[C@@H](O)CO[C@H]21	ZINC000006253922	387251316	/nfs/dbraw/zinc/25/13/16/387251316.db2.gz	JWGSLHUUFGFOCS-PQFOHKHZSA-N	1	0	204.246	-1.462	50	5		BABARO
C[N+](C)(C)[C@@H]1[C@H](O)O[C@@H]2[C@@H](O)CO[C@H]21	ZINC000006253923	387251641	/nfs/dbraw/zinc/25/16/41/387251641.db2.gz	JWGSLHUUFGFOCS-VRGHQRLXSA-N	1	0	204.246	-1.462	50	5		BABARO
Nc1n[nH]c(NCC[NH2+]CCO)c1[N+](=O)[O-]	ZINC000006292529	357249845	/nfs/dbraw/zinc/24/98/45/357249845.db2.gz	TYBQDCRHADLYHC-UHFFFAOYSA-N	1	0	230.228	-1.106	50	5		BABARO
C[N+](C)(C)C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO	ZINC000025624980	177487347	/nfs/dbraw/zinc/48/73/47/177487347.db2.gz	AKBIDZFJECEDFQ-JBDRJPRFSA-N	1	0	224.277	-2.872	50	5		BABARO
C[N+](C)(C)[C@@H]1[C@H](O)O[C@H]2[C@@H](O)CO[C@H]21	ZINC000025625444	387258187	/nfs/dbraw/zinc/25/81/87/387258187.db2.gz	JWGSLHUUFGFOCS-VCQFTWBDSA-N	1	0	204.246	-1.462	50	5		BABARO
C[N+](C)(C)[C@H]1[C@H](O)O[C@@H]2[C@H](O)CO[C@@H]21	ZINC000032107128	368403664	/nfs/dbraw/zinc/40/36/64/368403664.db2.gz	JWGSLHUUFGFOCS-JGKVKWKGSA-N	1	0	204.246	-1.462	50	5		BABARO
C[N+](C)(C)C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO	ZINC000216186168	136365853	/nfs/dbraw/zinc/36/58/53/136365853.db2.gz	AKBIDZFJECEDFQ-XSPKLOCKSA-N	1	0	224.277	-2.872	50	5		BABARO
C[N+](C)(C)C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO	ZINC000216186206	136365864	/nfs/dbraw/zinc/36/58/64/136365864.db2.gz	AKBIDZFJECEDFQ-KZVJFYERSA-N	1	0	224.277	-2.872	50	5		BABARO