smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCC[NH+]1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1	ZINC000045187306	205092352	/nfs/dbraw/zinc/09/23/52/205092352.db2.gz	KENIXQIUAWECQM-UHFFFAOYSA-N	3	1	387.612	4.296	1	0		GIAFMP
COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](c3cccc(C(C)C)c3)C[N@@H+]1CC2	ZINC000045337454	205096134	/nfs/dbraw/zinc/09/61/34/205096134.db2.gz	DFRKXRAANPFWQN-VSKRKVRLSA-N	2	1	380.532	4.241	1	0		GIAFMP
COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](c3cccc(C(C)C)c3)C[N@H+]1CC2	ZINC000045337454	205096136	/nfs/dbraw/zinc/09/61/36/205096136.db2.gz	DFRKXRAANPFWQN-VSKRKVRLSA-N	2	1	380.532	4.241	1	0		GIAFMP
CC(C)NC(=[NH2+])c1ccc2cc(-c3cc(C(=[NH2+])NC(C)C)ccc3O)oc2c1	ZINC000040860360	205074743	/nfs/dbraw/zinc/07/47/43/205074743.db2.gz	VRUCRQBQPHHKPI-UHFFFAOYSA-N	2	1	378.476	4.452	1	0		GIAFMP
CC(C)NC(=[NH2+])c1ccc(-c2cc3cc(C(=[NH2+])NC(C)C)cc([O-])c3o2)c([O-])c1	ZINC000040937095	205076104	/nfs/dbraw/zinc/07/61/04/205076104.db2.gz	FBMXNNIGIUGFEF-UHFFFAOYSA-N	2	1	394.475	4.158	1	0		GIAFMP
CC(C)NC(=[NH2+])c1ccc2oc(-c3cc(C(=[NH2+])NC(C)C)ccc3O)cc2c1	ZINC000040940069	205075519	/nfs/dbraw/zinc/07/55/19/205075519.db2.gz	DWUARDLAJYBUQZ-UHFFFAOYSA-N	2	1	378.476	4.452	1	0		GIAFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(COc2cccc(-c3ccccc3)c2)c1	ZINC000013740734	581092227	/nfs/dbraw/zinc/09/22/27/581092227.db2.gz	ZDWRGSYMUVYIQJ-UHFFFAOYSA-N	2	1	399.498	4.118	1	0		GIAFMP
C1=C(c2ccc(CC[NH+]3CCOCC3)cc2)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000029128148	207354669	/nfs/dbraw/zinc/35/46/69/207354669.db2.gz	UNRGMCLRRBQICS-AHWVRZQESA-N	2	1	388.555	4.097	1	0		GIAFMP
C1=C(c2ccc(CC[NH+]3CCOCC3)cc2)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000029128148	207354675	/nfs/dbraw/zinc/35/46/75/207354675.db2.gz	UNRGMCLRRBQICS-AHWVRZQESA-N	2	1	388.555	4.097	1	0		GIAFMP
Cc1[nH+]c2ccccc2c(Nc2ccc(N3CC[N@@H+](C)[C@@H](C)C3)cc2)c1[C@H](C)O	ZINC000058566048	136155546	/nfs/dbraw/zinc/15/55/46/136155546.db2.gz	VIFJNFUXJIBEDW-WMZOPIPTSA-N	2	1	390.531	4.480	1	0		GIAFMP
C[N@@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2ccccc2)C1	ZINC000028893092	207351150	/nfs/dbraw/zinc/35/11/50/207351150.db2.gz	RELMLKVZHCPAMI-XMMPIXPASA-N	2	1	382.523	4.467	1	0		GIAFMP
Nc1[nH+]cnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CC[NH2+]CC1	ZINC000008582010	581098460	/nfs/dbraw/zinc/09/84/60/581098460.db2.gz	HDNBYWUROCXFTK-UHFFFAOYSA-N	2	1	385.471	4.397	1	0		GIAFMP
Cc1[nH+]c2ccccc2c(Nc2ccc(N3CC[N@@H+](C)[C@@H](C)C3)cc2)c1[C@@H](C)O	ZINC000169354962	136197280	/nfs/dbraw/zinc/19/72/80/136197280.db2.gz	VIFJNFUXJIBEDW-FUHWJXTLSA-N	2	1	390.531	4.480	1	0		GIAFMP
COc1ccc(CC[NH2+][C@@]2(Cc3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC	ZINC000013590279	210070217	/nfs/dbraw/zinc/07/02/17/210070217.db2.gz	GOTLBDMBTPMJPE-WZOHSFFVSA-N	2	1	396.575	4.178	1	0		GIAFMP
COc1ccc(CC[NH2+][C@@]2(Cc3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC	ZINC000019462401	210252970	/nfs/dbraw/zinc/25/29/70/210252970.db2.gz	GOTLBDMBTPMJPE-ZYLNGJIFSA-N	2	1	396.575	4.178	1	0		GIAFMP
COc1ccc(CC[NH2+][C@]2(Cc3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC	ZINC000013590281	210070604	/nfs/dbraw/zinc/07/06/04/210070604.db2.gz	GOTLBDMBTPMJPE-RLSLOFABSA-N	2	1	396.575	4.178	1	0		GIAFMP
[NH3+]C[C@H](Cc1ccccc1)[NH2+]CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000061948888	222064514	/nfs/dbraw/zinc/06/45/14/222064514.db2.gz	LXMZGCTUXUTLEC-KRWDZBQOSA-N	2	1	390.371	4.426	3	0		GIAFMP