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)[NH2+]CC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)C[NH2+]C(C)C)ccc1C2=O	ZINC000040972560	563114906	/nfs/dbraw/zinc/11/49/06/563114906.db2.gz	DKNQCGLIKICHPF-UHFFFAOYSA-N	2	0	436.512	2.335	1	10	in-vivo	IECFRP
C[NH+](C)CCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[NH+](C)C)cc1C2=O	ZINC000013556223	562993177	/nfs/dbraw/zinc/99/31/77/562993177.db2.gz	AQCKBKAIOZBOLD-UHFFFAOYSA-N	2	0	436.512	2.242	1	10		IECFRP
C[NH+](C)CCC(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)CC[NH+](C)C)c1C2=O	ZINC000013556206	562993194	/nfs/dbraw/zinc/99/31/94/562993194.db2.gz	YXNNAMQSLYSKND-UHFFFAOYSA-N	2	0	436.512	2.242	1	10		IECFRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447278	563153228	/nfs/dbraw/zinc/15/32/28/563153228.db2.gz	VUNLODYYBQTYFP-HXUWFJFHSA-N	2	0	432.524	2.176	1	10		IECFRP
CCC[NH2+]CC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)C[NH2+]CCC)ccc1C2=O	ZINC000040955172	563114582	/nfs/dbraw/zinc/11/45/82/563114582.db2.gz	OBGMWZLARFADCF-UHFFFAOYSA-N	2	0	436.512	2.338	1	10	in-vivo	IECFRP
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CC[NH+](C)C)c2c1C(=O)c1ccccc1C2=O	ZINC000026972509	563038417	/nfs/dbraw/zinc/03/84/17/563038417.db2.gz	MOLNOJMQDXFBME-UHFFFAOYSA-N	2	0	436.512	2.242	1	10		IECFRP
[NH3+]CCCC[C@H]([NH3+])C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447279	563153225	/nfs/dbraw/zinc/15/32/25/563153225.db2.gz	VUNLODYYBQTYFP-FQEVSTJZSA-N	2	0	432.524	2.176	1	10		IECFRP
CC[NH2+]CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH2+]CC)ccc1C2=O	ZINC000040414231	563102102	/nfs/dbraw/zinc/10/21/02/563102102.db2.gz	HJVRZEPJBMFCNQ-UHFFFAOYSA-N	2	0	436.512	2.338	1	10	in-vivo	IECFRP
C[NH+](C)CCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CC[NH+](C)C)cccc1C2=O	ZINC000004393905	562943212	/nfs/dbraw/zinc/94/32/12/562943212.db2.gz	ANVAUNVCPJJTSF-UHFFFAOYSA-N	2	0	436.512	2.242	1	10		IECFRP
CC(C)[NH2+]CC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)C[NH2+]C(C)C)cccc1C2=O	ZINC000073258887	563171451	/nfs/dbraw/zinc/17/14/51/563171451.db2.gz	PQGXRRCRUOFIPO-UHFFFAOYSA-N	2	0	436.512	2.335	1	10		IECFRP
CN(C)c1ccc(/C=c2/c3ccccc3n3c2cc(C(=O)NCCC[NH+](C)C)[n+]3C)cc1	ZINC000005597210	562944457	/nfs/dbraw/zinc/94/44/57/562944457.db2.gz	LHQVYNQYDBPJRM-UHFFFAOYSA-O	2	0	430.576	2.212	1	10		IECFRP
C[NH+](C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH+](C)C)ccc1C2=O	ZINC000004393912	562943219	/nfs/dbraw/zinc/94/32/19/562943219.db2.gz	JIMGGRBZTYNLQQ-UHFFFAOYSA-N	2	0	436.512	2.242	1	10		IECFRP