smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCc1ccc2nc3c4ccccc4n(CC[NH+](C)C)c3cc2c1	ZINC000026173511	204846760	/nfs/dbraw/zinc/84/67/60/204846760.db2.gz	GKUZEDXGDACXNS-UHFFFAOYSA-N	2	0	360.505	4.008	1	5		FIBFRP
C[NH+](C)CCNc1ccc2oc3ccccc3c3c2c1cn3CC[NH+](C)C	ZINC000040575316	205073567	/nfs/dbraw/zinc/07/35/67/205073567.db2.gz	ZKSXDMUBUBXBIB-UHFFFAOYSA-N	2	0	364.493	4.076	1	5		FIBFRP
CC[NH+](CC)CCn1nc2c3c1ccc(C[NH3+])c3sc1ccccc21	ZINC000000838518	203956654	/nfs/dbraw/zinc/95/66/54/203956654.db2.gz	STAKMRNVALWWQT-UHFFFAOYSA-N	2	0	352.507	4.205	1	5		FIBFRP
Cc1cc(C[NH2+]CCCCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccc1O	ZINC000045190791	208327989	/nfs/dbraw/zinc/32/79/89/208327989.db2.gz	KFRSBEWPBCTJBU-UHFFFAOYSA-N	2	0	371.481	4.049	1	5		FIBFRP
C[n+]1c2c3ccccc3[nH]c2c(NC2CC[NH2+]CC2)c2ccc(Cl)cc21	ZINC000064549648	208615358	/nfs/dbraw/zinc/61/53/58/208615358.db2.gz	PMHXHEPIARLWRL-UHFFFAOYSA-O	2	0	365.888	4.116	1	5		FIBFRP
C[N+](C)(C)c1cccc(OCCCCOc2cccc([N+](C)(C)C)c2)c1	ZINC000040918216	717128041	/nfs/dbraw/zinc/12/80/41/717128041.db2.gz	JJKOOCPIEAVPCW-UHFFFAOYSA-N	2	0	358.526	4.318	1	5		FIBFRP
[NH3+]CCCC[NH2+]CCCC[NH2+]CCc1c2ccccc2cc2ccccc21	ZINC000013585470	211040289	/nfs/dbraw/zinc/04/02/89/211040289.db2.gz	SUCQIXAGBWPSPF-UHFFFAOYSA-N	3	0	363.549	4.234	1	5		FIBFRP
COCCC[NH+]1CCN(c2c3[nH]c4ccccc4c3[nH+]c3ccccc32)CC1	ZINC000095580260	132215777	/nfs/dbraw/zinc/21/57/77/132215777.db2.gz	GHXBAYZUGXXYIO-UHFFFAOYSA-N	2	0	374.488	4.028	1	5		FIBFRP
CC[NH+](CC)CCn1nc2c3c1ccc(C[NH2+]C)c3sc1ccccc21	ZINC000000838519	219328559	/nfs/dbraw/zinc/32/85/59/219328559.db2.gz	CLTKOUOFWPJNNU-UHFFFAOYSA-N	2	0	366.534	4.465	1	5		FIBFRP