smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12	ZINC000035894803	554091791	/nfs/dbraw/zinc/09/17/91/554091791.db2.gz	DFYLXPJHAKSFCY-AHWVRZQESA-N	2	2	511.598	2.436	50	5		KEBALP
O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12	ZINC000035894803	554091790	/nfs/dbraw/zinc/09/17/90/554091790.db2.gz	DFYLXPJHAKSFCY-AHWVRZQESA-N	2	2	511.598	2.436	50	5		KEBALP
Cc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CC(O)CN2CC[NH+](Cc3cc([N+](=O)[O-])ccc3C)CC2)CC1	ZINC000096582023	553756437	/nfs/dbraw/zinc/75/64/37/553756437.db2.gz	CBVIWIXWRYYMJL-UHFFFAOYSA-N	2	2	526.638	2.416	50	5		KEBALP
O=C(NCCC[NH+]1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12	ZINC000104920685	571387847	/nfs/dbraw/zinc/38/78/47/571387847.db2.gz	DFYLXPJHAKSFCY-AOYPEHQESA-N	2	2	511.598	2.436	50	5		KEBALP
O=C(NCCC[NH+]1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12	ZINC000104920685	571387846	/nfs/dbraw/zinc/38/78/46/571387846.db2.gz	DFYLXPJHAKSFCY-AOYPEHQESA-N	2	2	511.598	2.436	50	5		KEBALP
O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12	ZINC000104920686	571387712	/nfs/dbraw/zinc/38/77/12/571387712.db2.gz	DFYLXPJHAKSFCY-AZGAKELHSA-N	2	2	511.598	2.436	50	5		KEBALP
O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12	ZINC000104920686	571387711	/nfs/dbraw/zinc/38/77/11/571387711.db2.gz	DFYLXPJHAKSFCY-AZGAKELHSA-N	2	2	511.598	2.436	50	5		KEBALP
O=C(NCCC[NH+]1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12	ZINC000169678412	571555597	/nfs/dbraw/zinc/55/55/97/571555597.db2.gz	DFYLXPJHAKSFCY-RSXGOPAZSA-N	2	2	511.598	2.436	50	5		KEBALP
O=C(NCCC[NH+]1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12	ZINC000169678412	571555595	/nfs/dbraw/zinc/55/55/95/571555595.db2.gz	DFYLXPJHAKSFCY-RSXGOPAZSA-N	2	2	511.598	2.436	50	5		KEBALP