smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C[C@H](O)c1cc2ccccc2c2ccccc21	ZINC000001577093	567838356	/nfs/dbraw/zinc/83/83/56/567838356.db2.gz	JSDURIUUFTVTBB-SFHVURJKSA-N	0	3	265.356	3.588	40	5		CHBBHN
Cc1ccc([C@@H](C)NCc2ccccc2)cc1[N+](=O)[O-]	ZINC000020086603	567111928	/nfs/dbraw/zinc/11/19/28/567111928.db2.gz	UVEDVCHBFAKQMH-CYBMUJFWSA-N	0	3	270.332	3.754	40	5		CHBBHN
CN(C)C[C@@H](O)c1cc2ccccc2c2ccccc21	ZINC000005599717	170118303	/nfs/dbraw/zinc/11/83/03/170118303.db2.gz	JSDURIUUFTVTBB-GOSISDBHSA-N	0	3	265.356	3.588	40	5		CHBBHN
CC(=O)[C@H](c1ccccc1)[C@H](c1ccccc1)C(C)[N+](=O)[O-]	ZINC000003058456	567158525	/nfs/dbraw/zinc/15/85/25/567158525.db2.gz	JMJGTAJCIPQMSZ-DOPJRALCSA-N	0	3	297.354	3.808	40	5		CHBBHN
CC(=O)[C@H](c1ccccc1)[C@H](c1ccccc1)C(C)[N+](=O)[O-]	ZINC000004697329	170000895	/nfs/dbraw/zinc/00/08/95/170000895.db2.gz	JMJGTAJCIPQMSZ-JEBQAFNWSA-N	0	3	297.354	3.808	40	5		CHBBHN
Cc1ccc([C@H](C)NCc2ccccc2)cc1[N+](=O)[O-]	ZINC000020086605	567112000	/nfs/dbraw/zinc/11/20/00/567112000.db2.gz	UVEDVCHBFAKQMH-ZDUSSCGKSA-N	0	3	270.332	3.754	40	5		CHBBHN
CC(=O)[C@H](c1ccccc1)[C@@H](c1ccccc1)C(C)[N+](=O)[O-]	ZINC000004697331	170001176	/nfs/dbraw/zinc/00/11/76/170001176.db2.gz	JMJGTAJCIPQMSZ-FSPWUOQZSA-N	0	3	297.354	3.808	40	5		CHBBHN
CC(=O)[C@H](c1ccccc1)[C@@H](c1ccccc1)C(C)[N+](=O)[O-]	ZINC000004697330	170001080	/nfs/dbraw/zinc/00/10/80/170001080.db2.gz	JMJGTAJCIPQMSZ-MORSLUCNSA-N	0	3	297.354	3.808	40	5		CHBBHN