smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1	ZINC000549996441	289063660	/nfs/dbraw/zinc/06/36/60/289063660.db2.gz	CHPBJAZUMKNCGS-GFCCVEGCSA-N	-1	2	278.352	3.168	20	5		CGBDLM
CC(C)[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1	ZINC000549996442	289063732	/nfs/dbraw/zinc/06/37/32/289063732.db2.gz	CHPBJAZUMKNCGS-LBPRGKRZSA-N	-1	2	278.352	3.168	20	5		CGBDLM
CC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000338963120	376604066	/nfs/dbraw/zinc/60/40/66/376604066.db2.gz	LTRMMIMXTHFSEY-CQSZACIVSA-N	-1	2	278.352	3.311	20	5		CGBDLM
CC(C)C[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000338942301	376589357	/nfs/dbraw/zinc/58/93/57/376589357.db2.gz	KQKIQLCEQMDKFS-CYBMUJFWSA-N	-1	2	278.352	3.311	20	5		CGBDLM
CCC[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-]	ZINC001198430660	811502440	/nfs/dbraw/zinc/50/24/40/811502440.db2.gz	SVRXGERWUDDVFL-GFCCVEGCSA-N	-1	2	264.325	3.065	20	5		CGBDLM
CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000338963117	376602941	/nfs/dbraw/zinc/60/29/41/376602941.db2.gz	LTRMMIMXTHFSEY-AWEZNQCLSA-N	-1	2	278.352	3.311	20	5		CGBDLM
CC(C)C[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000338942302	376588406	/nfs/dbraw/zinc/58/84/06/376588406.db2.gz	KQKIQLCEQMDKFS-ZDUSSCGKSA-N	-1	2	278.352	3.311	20	5		CGBDLM
CCC[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-]	ZINC001198430661	811502143	/nfs/dbraw/zinc/50/21/43/811502143.db2.gz	SVRXGERWUDDVFL-LBPRGKRZSA-N	-1	2	264.325	3.065	20	5		CGBDLM
O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC2(CC2)CC1	ZINC000599672479	347763023	/nfs/dbraw/zinc/76/30/23/347763023.db2.gz	HIRJGFFCTJJBIV-UHFFFAOYSA-N	-1	2	276.336	3.067	20	5		CGBDLM
C[C@H]([N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C	ZINC000549770430	289052907	/nfs/dbraw/zinc/05/29/07/289052907.db2.gz	DPYQUWUAFURYTH-JTQLQIEISA-N	-1	2	266.341	3.167	20	5		CGBDLM
C[C@@H]([N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C	ZINC000549770431	289052923	/nfs/dbraw/zinc/05/29/23/289052923.db2.gz	DPYQUWUAFURYTH-SNVBAGLBSA-N	-1	2	266.341	3.167	20	5		CGBDLM