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(C[NH2+]Cc1ccc2c(c1)OCO2)N1CCN(C(=O)C[NH2+]Cc2ccc3c(c2)OCO3)CC1	ZINC000035311415	569680169	/nfs/dbraw/zinc/68/01/69/569680169.db2.gz	VZWXXGUGQVRUIG-UHFFFAOYSA-N	2	0	468.510	0.694	40	0		JCABRP
CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCOCCOCCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CCOCCOCC1	ZINC000039988458	569813321	/nfs/dbraw/zinc/81/33/21/569813321.db2.gz	YTFONPPHIOHDPH-MYGLTJDJSA-N	2	0	488.670	0.470	40	0		JCABRP
C[C@]1(O)CC2(CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)OC[C@@H]1n1cc(Cl)c(=O)[nH]c1=O	ZINC000257285035	570134170	/nfs/dbraw/zinc/13/41/70/570134170.db2.gz	PFIIVZIZKUDZSE-DOXZYTNZSA-N	2	0	457.959	0.132	40	0		JCABRP
C[C@]1(O)CC2(CCN(C(=O)[C@H]([NH3+])CCCC[NH3+])CC2)OC[C@@H]1n1cc(Cl)c(=O)[nH]c1=O	ZINC000257285036	570134255	/nfs/dbraw/zinc/13/42/55/570134255.db2.gz	PFIIVZIZKUDZSE-VCBZYWHSSA-N	2	0	457.959	0.132	40	0		JCABRP
CC[C@H](C)[C@H]([NH3+])C(=O)N1CCOCCOCCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CCOCCOCC1	ZINC000584905908	1067749772	/nfs/dbraw/zinc/74/97/72/1067749772.db2.gz	YTFONPPHIOHDPH-CMOCDZPBSA-N	2	0	488.670	0.470	40	0		JCABRP
CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCOCCOCCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CCOCCOCC1	ZINC000584905909	1067749745	/nfs/dbraw/zinc/74/97/45/1067749745.db2.gz	YTFONPPHIOHDPH-COPRSSIGSA-N	2	0	488.670	0.470	40	0		JCABRP
CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCOCCOCCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CCOCCOCC1	ZINC000584905910	1067749702	/nfs/dbraw/zinc/74/97/02/1067749702.db2.gz	YTFONPPHIOHDPH-LRSLUSHPSA-N	2	0	488.670	0.470	40	0		JCABRP