smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCNCCC[NH2+]CCCn1c(=O)c2ccc3c(=O)n(CCC[NH2+]CCCNCCC[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000084669219	562747918	/nfs/dbraw/zinc/74/79/18/562747918.db2.gz	VERMROMATAIGFV-UHFFFAOYSA-N	4	0	608.788	-0.318	1	5		KBBFRP
CC(C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1)[C@@H](C)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O	ZINC000096902522	562797424	/nfs/dbraw/zinc/79/74/24/562797424.db2.gz	QQSPTMZDIPWHTF-VECHTSBRSA-N	2	0	714.821	-0.904	1	5		KBBFRP
C[NH+](C)CCn1c(=O)c2ccc3c(=O)n(CC[NH+](C)C)c(=O)c4c(NCCOCCN5CC[NH+](C)CC5)cc(c1=O)c2c34	ZINC000096935053	562804007	/nfs/dbraw/zinc/80/40/07/562804007.db2.gz	AHBYOGABMSQOHV-UHFFFAOYSA-N	3	0	593.729	-0.135	1	5		KBBFRP
C[NH+](C)CCn1c(=O)c2ccc3c(=O)n(CC[NH+](C)C)c(=O)c4c(NCCOCCN5CCOCC5)cc(c1=O)c2c34	ZINC000096937359	562804148	/nfs/dbraw/zinc/80/41/48/562804148.db2.gz	RJUXDYPCWHAEBB-UHFFFAOYSA-N	2	0	580.686	-0.051	1	5		KBBFRP
C[NH+](C)CCn1c(=O)c2ccc3c(=O)n(CC[NH+](C)C)c(=O)c4c(NCCOCCOCCN5CC[NH+](C)CC5)cc(c1=O)c2c34	ZINC000096937362	562804152	/nfs/dbraw/zinc/80/41/52/562804152.db2.gz	RTINIMXBCBODCC-UHFFFAOYSA-N	3	0	637.782	-0.119	1	5		KBBFRP
C[NH+](C)CCn1c(=O)c2ccc3c(=O)n(CC[NH+](C)C)c(=O)c4c(NCCOCCOCCN5CCOCC5)cc(c1=O)c2c34	ZINC000096937363	562804144	/nfs/dbraw/zinc/80/41/44/562804144.db2.gz	ZWSZERVULBKKHX-UHFFFAOYSA-N	2	0	624.739	-0.034	1	5		KBBFRP
C[NH+](C)CCn1c(=O)c2ccc3c(=O)n(CC[NH+](C)C)c(=O)c4c(NCCOCCOCCOCCN5CC[NH+](C)CC5)cc(c1=O)c2c34	ZINC000096937366	562804182	/nfs/dbraw/zinc/80/41/82/562804182.db2.gz	NPRBSEQXFVVHEA-UHFFFAOYSA-N	3	0	681.835	-0.102	1	5		KBBFRP
C[NH+](C)CCn1c(=O)c2ccc3c(=O)n(CC[NH+](C)C)c(=O)c4c(NCCOCCOCCOCCN5CCOCC5)cc(c1=O)c2c34	ZINC000096937367	562804155	/nfs/dbraw/zinc/80/41/55/562804155.db2.gz	QLENOJACSSJYAY-UHFFFAOYSA-N	2	0	668.792	-0.017	1	5		KBBFRP
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000169349499	562862614	/nfs/dbraw/zinc/86/26/14/562862614.db2.gz	BTZCGWWDLJTNOS-YAOOYPAMSA-N	2	0	817.646	-0.342	1	5		KBBFRP
CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000169349751	562862730	/nfs/dbraw/zinc/86/27/30/562862730.db2.gz	GMGHPOPYDOGYAJ-QEGGNFSNSA-N	2	0	745.242	-0.996	1	5		KBBFRP
C[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000195505485	562872059	/nfs/dbraw/zinc/87/20/59/562872059.db2.gz	QLUJJUWCLAZBOA-KKPKCPPISA-N	2	0	600.633	-0.296	1	5		KBBFRP
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000299824776	562883364	/nfs/dbraw/zinc/88/33/64/562883364.db2.gz	XDVHAIUYOIDSSK-VABKMULXSA-N	2	0	597.677	-0.217	1	5		KBBFRP