smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc(C[NH+]3CCC(C(N)=O)CC3)n(CCN3CCOCC3)c2c(=O)n(C)c1=O	ZINC000020517453	527118345	/nfs/dbraw/zinc/11/83/45/527118345.db2.gz	KPCSNSOGJDWIPB-UHFFFAOYSA-N	1	2	433.513	-1.537	50	0		IAAALO
C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1	ZINC000032824036	556408833	/nfs/dbraw/zinc/40/88/33/556408833.db2.gz	IRFRLBDMIXIZMX-UHFFFAOYSA-N	1	2	444.539	-1.345	50	0		IAAALO
CCc1c(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C	ZINC000089280388	568916224	/nfs/dbraw/zinc/91/62/24/568916224.db2.gz	AORGHUNWSJLSQN-UHFFFAOYSA-N	1	2	432.481	-1.627	50	0		IAAALO
O=C(CN1CC[NH+](CC(=O)N2CCOCC2)CC1)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000096908356	569402529	/nfs/dbraw/zinc/40/25/29/569402529.db2.gz	VEEMAYFPVKCCAW-UHFFFAOYSA-N	1	2	436.513	-1.251	50	0		IAAALO
CC(C)[C@H]1NC(=O)CCNc2cc([nH+]c(N3CC[C@@H](O)C3)n2)CCNC(=O)[C@H](C)NC1=O	ZINC000952973104	1068060980	/nfs/dbraw/zinc/06/09/80/1068060980.db2.gz	XSURJSXURSZGNX-JCKWVBRZSA-N	1	2	447.540	-1.150	50	0		IAAALO