smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccccc1O	ZINC000028247996	534964168	/nfs/dbraw/zinc/96/41/68/534964168.db2.gz	MCBTUUFBOPOYDC-UHFFFAOYSA-N	2	1	233.275	0.578	1	0		BCAFMP
C[C@H]1NC(=[NH2+])NC(=[NH2+])N1OCc1ccccc1	ZINC000045228974	177392605	/nfs/dbraw/zinc/39/26/05/177392605.db2.gz	WWTNGMCEVXYMLA-QMMMGPOBSA-N	2	1	233.275	0.409	1	0		BCAFMP
C/C=C/CON1C(=[NH2+])NC(=[NH2+])NC1(C)C	ZINC000045186599	188297523	/nfs/dbraw/zinc/29/75/23/188297523.db2.gz	KXAYRWLRLANBHP-SNAWJCMRSA-N	2	1	211.269	0.595	1	0		BCAFMP
C/C=C\CON1C(=[NH2+])NC(=[NH2+])NC1(C)C	ZINC000064256523	187274173	/nfs/dbraw/zinc/27/41/73/187274173.db2.gz	KXAYRWLRLANBHP-PLNGDYQASA-N	2	1	211.269	0.385	1	0		BCAFMP
[NH3+]CCCNCCCNC1=[NH+]CCCCC1	ZINC000064453751	181382062	/nfs/dbraw/zinc/38/20/62/181382062.db2.gz	KQJZEBPRMQJTLN-UHFFFAOYSA-N	2	1	226.368	0.877	1	0		BCAFMP
[NH3+]CCCCN1CCC[N@@H+](CCCC[NH3+])CC1	ZINC000022938130	181376238	/nfs/dbraw/zinc/37/62/38/181376238.db2.gz	PHLWKPSLVBKLAC-UHFFFAOYSA-N	3	1	242.411	0.472	1	0		BCAFMP