smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[NH+](CCCC)CCCOC(=O)c1ccc(C[NH+](CC)CC)cc1	ZINC000005513640	204137238	/nfs/dbraw/zinc/13/72/38/204137238.db2.gz	ASUQYYGSMJTBQI-UHFFFAOYSA-N	2	0	376.585	4.978	10	0		GJAERP
c1ccc(Cc2cc[n+](CCCC[n+]3ccc(Cc4ccccc4)cc3)cc2)cc1	ZINC000005873093	570459766	/nfs/dbraw/zinc/45/97/66/570459766.db2.gz	NBHYFMVPDAQGMP-UHFFFAOYSA-N	2	0	394.562	4.924	10	0		GJAERP
Cc1cc(C[N@H+](C)CC2CC[NH+](CCc3ccccc3F)CC2)cc(C)c1O	ZINC000011712427	204351219	/nfs/dbraw/zinc/35/12/19/204351219.db2.gz	DVSINTNRIDUXCE-UHFFFAOYSA-N	2	0	384.539	4.535	10	0		GJAERP
C[N@@H+](Cc1cccc2cnccc21)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1	ZINC000055244216	222017807	/nfs/dbraw/zinc/01/78/07/222017807.db2.gz	IVZTWSPNJYAMDK-OAQYLSRUSA-N	2	0	391.534	4.760	10	0		GJAERP
C[NH2+]CCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000010315401	221100221	/nfs/dbraw/zinc/10/02/21/221100221.db2.gz	RGXHZBXKBGLPED-UHFFFAOYSA-N	2	0	376.331	4.696	10	0		GJAERP
Cc1c(C[NH2+]CC2CC[NH2+]CC2)c2ccccc2n1Cc1ccccc1Cl	ZINC000010315400	221099969	/nfs/dbraw/zinc/09/99/69/221099969.db2.gz	ZATXVNWUHLLMEI-UHFFFAOYSA-N	2	0	381.951	4.741	10	0		GJAERP
COc1ccccc1/C=C/C[N@H+](CCc1ccccc1)CC1CC[NH+](C)CC1	ZINC000015066569	207042596	/nfs/dbraw/zinc/04/25/96/207042596.db2.gz	LONLSYHWWRGIHW-XYOKQWHBSA-N	2	0	378.560	4.595	10	0		GJAERP