smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCOCCOCCOCC[NH+](C)CCOCCOCCOCC1	ZINC000004661801	570920923	/nfs/dbraw/zinc/92/09/23/570920923.db2.gz	HOTIQIAWXKDYJY-UHFFFAOYSA-N	1	3	378.510	-0.037	50	0		GBAAHO
CCN1CCN(CCN2CC3(CCN(C(=O)C4([NH3+])CC4)CC3)OC2=O)CC1	ZINC000077285830	570903594	/nfs/dbraw/zinc/90/35/94/570903594.db2.gz	KCNVYZYZCNXLEA-UHFFFAOYSA-N	1	3	379.505	-0.071	50	0		GBAAHO
C[NH+](C)[C@@H]1CCN(CCN2CC3(CCN(C(=O)C4(N)CC4)CC3)OC2=O)C1	ZINC000077319620	211128619	/nfs/dbraw/zinc/12/86/19/211128619.db2.gz	ULRKHZYJUKCQEG-OAHLLOKOSA-N	1	3	379.505	-0.073	50	0		GBAAHO
C[NH+](C)[C@H]1CCN(CCN2CC3(CCN(C(=O)C4(N)CC4)CC3)OC2=O)C1	ZINC000077319623	222278271	/nfs/dbraw/zinc/27/82/71/222278271.db2.gz	ULRKHZYJUKCQEG-HNNXBMFYSA-N	1	3	379.505	-0.073	50	0		GBAAHO
[NH3+]CCn1cc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)nn1	ZINC000077436345	222280467	/nfs/dbraw/zinc/28/04/67/222280467.db2.gz	YMBCMGVSBJDGBK-VDUSKEEQSA-N	1	3	381.484	-0.466	50	0		GBAAHO
CN1CCN(C[C@H](O)COc2ccc(C[NH+]3CCC(O)(CO)CC3)cc2)CC1	ZINC000095522712	208224319	/nfs/dbraw/zinc/22/43/19/208224319.db2.gz	CFAKGZVVJGOMCC-IBGZPJMESA-N	1	3	393.528	-0.007	50	0		GBAAHO
CN1CCN(C[C@@H](O)COc2ccc(C[NH+]3CCC(O)(CO)CC3)cc2)CC1	ZINC000095522713	571088267	/nfs/dbraw/zinc/08/82/67/571088267.db2.gz	CFAKGZVVJGOMCC-LJQANCHMSA-N	1	3	393.528	-0.007	50	0		GBAAHO
O=C([C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1)N1CCN(c2ccncc2)CC1	ZINC000096151966	136184436	/nfs/dbraw/zinc/18/44/36/136184436.db2.gz	ZCTNRUHBJNWGQL-SJORKVTESA-N	1	3	387.484	-0.185	50	0		GBAAHO
COCCN(C)CCN1CC2(CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)OC1=O	ZINC000102141147	570287477	/nfs/dbraw/zinc/28/74/77/570287477.db2.gz	HCOXRPPCCPQFQS-ZSHCYNCHSA-N	1	3	380.489	-0.157	50	0		GBAAHO
[NH3+]CCn1cc(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)nn1	ZINC000107114728	570308456	/nfs/dbraw/zinc/30/84/56/570308456.db2.gz	YMBCMGVSBJDGBK-RVSXGSNBSA-N	1	3	381.484	-0.466	50	0		GBAAHO
Nc1nc(C2CC(O)C2)cc(N2CCC([NH+]3CCN(CCO)CC3)CC2)n1	ZINC000219843800	136204346	/nfs/dbraw/zinc/20/43/46/136204346.db2.gz	MIDSTEVKUAEHNI-UHFFFAOYSA-N	1	3	376.505	-0.124	50	0		GBAAHO