smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOCCOCCC[NH2+]CC(=O)N1CCN(C(=O)C[NH2+]CCCOCCOCC)CC1	ZINC000004946099	554483485	/nfs/dbraw/zinc/48/34/85/554483485.db2.gz	FIOPUBIFCIMBPC-UHFFFAOYSA-N	2	0	460.616	-0.277	40	0		JBABRP
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])ccc12	ZINC000009915684	195023064	/nfs/dbraw/zinc/02/30/64/195023064.db2.gz	GYCFVTDDPZJPRH-HOTGVXAUSA-N	3	0	487.565	-0.621	40	0	in-vitro	JBABRP
C[NH+](C)C[C@H]1OCCOCCO[C@H](C[NH+](C)C)[C@H](C[NH+](C)C)OCCOCCO[C@@H]1C[NH+](C)C	ZINC000016940387	556180913	/nfs/dbraw/zinc/18/09/13/556180913.db2.gz	JUQIWQGTHFBLNJ-YCAMKHIRSA-N	4	0	492.702	-0.180	40	0		JBABRP
C[NH+](C)C[C@H]1OCCOCCO[C@H](C[NH+](C)C)[C@H](C[NH+](C)C)OCCOCCO[C@H]1C[NH+](C)C	ZINC000017139486	556224746	/nfs/dbraw/zinc/22/47/46/556224746.db2.gz	JUQIWQGTHFBLNJ-WAPCQROESA-N	4	0	492.702	-0.180	40	0		JBABRP
C[NH+](C)C[C@H]1OCCOCCO[C@@H](C[NH+](C)C)[C@@H](C[NH+](C)C)OCCOCCO[C@H]1C[NH+](C)C	ZINC000104229299	569843585	/nfs/dbraw/zinc/84/35/85/569843585.db2.gz	JUQIWQGTHFBLNJ-NVPYSNMXSA-N	4	0	492.702	-0.180	40	0		JBABRP
C[NH+](C)C[C@H]1OCCOCCO[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)OCCOCCO[C@H]1C[NH+](C)C	ZINC000104229308	569843599	/nfs/dbraw/zinc/84/35/99/569843599.db2.gz	JUQIWQGTHFBLNJ-NEWJYFPISA-N	4	0	492.702	-0.180	40	0		JBABRP
[NH3+]CCOCCOCCOCCOCCOCCOCCOCCOCCOCC[NH3+]	ZINC000142778314	569867571	/nfs/dbraw/zinc/86/75/71/569867571.db2.gz	YWYRXJJAEDMZGY-UHFFFAOYSA-N	2	0	456.577	-0.947	40	0		JBABRP
C[C@]1(O)CC2(CCN(C(=O)[C@H]([NH3+])CCCC[NH3+])CC2)OC[C@@H]1n1cnc2c1nc(N)nc2N	ZINC000257227927	570116453	/nfs/dbraw/zinc/11/64/53/570116453.db2.gz	FROZKTHBZQUNRJ-CKNLXJGOSA-N	2	0	461.571	-0.479	40	0		JBABRP
C[C@]1(O)CC2(CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)OC[C@@H]1n1cnc2c1nc(N)nc2N	ZINC000257227928	570116450	/nfs/dbraw/zinc/11/64/50/570116450.db2.gz	FROZKTHBZQUNRJ-YRVVQQKDSA-N	2	0	461.571	-0.479	40	0		JBABRP
C[C@]1(O)COC2(CCN(C(=O)[C@H]([NH3+])CCCC[NH3+])CC2)C[C@@H]1n1cnc2c1nc(N)nc2N	ZINC000257239382	570120047	/nfs/dbraw/zinc/12/00/47/570120047.db2.gz	HPBISWUDMLDUQD-CKNLXJGOSA-N	2	0	461.571	-0.479	40	0		JBABRP
C[C@]1(O)COC2(CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)C[C@@H]1n1cnc2c1nc(N)nc2N	ZINC000257239383	570120017	/nfs/dbraw/zinc/12/00/17/570120017.db2.gz	HPBISWUDMLDUQD-YRVVQQKDSA-N	2	0	461.571	-0.479	40	0		JBABRP
C[C@@]1(O)CC2(CCN(C(=O)[C@H]([NH3+])CCCC[NH3+])CC2)OC[C@H]1n1cnc2c1nc(N)nc2N	ZINC000585284439	1067718333	/nfs/dbraw/zinc/71/83/33/1067718333.db2.gz	FROZKTHBZQUNRJ-ARGWCVDVSA-N	2	0	461.571	-0.479	40	0		JBABRP
C[C@@]1(O)CC2(CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)OC[C@H]1n1cnc2c1nc(N)nc2N	ZINC000585284445	1067718454	/nfs/dbraw/zinc/71/84/54/1067718454.db2.gz	FROZKTHBZQUNRJ-LRDNONRASA-N	2	0	461.571	-0.479	40	0		JBABRP