smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2c1c(=O)c1ccccc1n2C[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1	ZINC000043013673	563116643	/nfs/dbraw/zinc/11/66/43/563116643.db2.gz	JMHJWVHZQBPELZ-QFIPXVFZSA-N	2	2	433.596	3.774	1	5		IHBFLP
O=[N+]([O-])c1cccnc1N1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1	ZINC000064560502	563156330	/nfs/dbraw/zinc/15/63/30/563156330.db2.gz	NYYSRVGSIGKUFY-UHFFFAOYSA-N	2	2	426.908	3.816	1	5		IHBFLP
O=[N+]([O-])c1cc2c(cc1N1CCC[NH2+]CC1)[nH+]cnc2NCCc1ccc(Cl)cc1	ZINC000027634313	563044816	/nfs/dbraw/zinc/04/48/16/563044816.db2.gz	IMCYKTQPMMPDMI-UHFFFAOYSA-N	2	2	426.908	3.646	1	5		IHBFLP
CC[NH+](CC)CC(=O)Nc1cc2[nH]c(C[NH+](CC)CC)nc2c2c(=O)c3ccccc3oc12	ZINC000029056731	563073482	/nfs/dbraw/zinc/07/34/82/563073482.db2.gz	ZZRUWWMTVCNLDS-UHFFFAOYSA-N	2	2	449.555	3.945	1	5		IHBFLP
Cc1cccc2c1c(=O)c1ccccc1n2C[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1	ZINC000043013671	563116655	/nfs/dbraw/zinc/11/66/55/563116655.db2.gz	JMHJWVHZQBPELZ-JOCHJYFZSA-N	2	2	433.596	3.774	1	5		IHBFLP
COc1cc2c(C[NH2+]CC[NH+](C)C)cc3c(cnc4cc5c(cc43)OCO5)c2cc1OC	ZINC000040429177	563103143	/nfs/dbraw/zinc/10/31/43/563103143.db2.gz	XQJTZUMWYCPFAL-UHFFFAOYSA-N	2	2	433.508	3.938	1	5		IHBFLP
COc1cc2c(cc1NCCC[NH+]1CCOCC1)ncc1c(N)[nH+]c3c(C)c(N)ccc3c12	ZINC000014969844	563016547	/nfs/dbraw/zinc/01/65/47/563016547.db2.gz	PICVLQXQBLBFNU-UHFFFAOYSA-N	2	2	446.555	3.552	1	5		IHBFLP