smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1ncc2c1nc1c3ccc([O-])cc3oc1c2C1CCCCC1	ZINC000252495051	563927323	/nfs/dbraw/zinc/92/73/23/563927323.db2.gz	OLQCVWLOADHARA-UHFFFAOYSA-N	-1	3	321.380	4.621	50	5		DJBAHM
CC(C)Cc1c2cnn(C(C)C)c2nc2c3ccc([O-])cc3oc21	ZINC000096114389	563935538	/nfs/dbraw/zinc/93/55/38/563935538.db2.gz	FUCAXBYQQCCPMK-UHFFFAOYSA-N	-1	3	323.396	4.816	50	5	biogenic	DJBAHM
Cc1cc(C)c2ccc(/C=C/c3ccccc3[N+](=O)[O-])nc2c1[O-]	ZINC000004426684	181109366	/nfs/dbraw/zinc/10/93/66/181109366.db2.gz	RRCCVEYQOHCSLC-BQYQJAHWSA-N	-1	3	320.348	4.636	50	5	biogenic	DJBAHM
O=[N+]([O-])c1ccccc1-c1nc(-c2ccco2)c(-c2ccco2)[n-]1	ZINC000005614717	181264163	/nfs/dbraw/zinc/26/41/63/181264163.db2.gz	IXPPZIUMVVXTAY-UHFFFAOYSA-N	-1	3	321.292	4.505	50	5		DJBAHM
CC(C)c1c2cnn(C(C)C)c2nc2c3ccc([O-])cc3oc21	ZINC000096116327	563935477	/nfs/dbraw/zinc/93/54/77/563935477.db2.gz	ZCELWBXWCVQHMA-UHFFFAOYSA-N	-1	3	309.369	4.741	50	5	biogenic	DJBAHM