smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1cc(N2CCCC3(CC[NH2+]CC3)C2)ccn1	ZINC000003955764	132316034	/nfs/dbraw/zinc/31/60/34/132316034.db2.gz	XPTSEPHTIHPTNN-UHFFFAOYSA-N	1	3	231.343	2.052	1	0		BEAFHO
C[N@H+]1C[C@@H]2C[C@@H](CN(Cc3ccccc3)C2)C1	ZINC000001995694	173189911	/nfs/dbraw/zinc/18/99/11/173189911.db2.gz	KUDHVQBOLXZJRO-GASCZTMLSA-N	1	3	230.355	2.070	1	0		BEAFHO
C[N@@H+]1C[C@@H]2C[C@@H](CN(Cc3ccccc3)C2)C1	ZINC000001995694	173189913	/nfs/dbraw/zinc/18/99/13/173189913.db2.gz	KUDHVQBOLXZJRO-GASCZTMLSA-N	1	3	230.355	2.070	1	0		BEAFHO
CN1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccccc1)C2	ZINC000001995694	173189915	/nfs/dbraw/zinc/18/99/15/173189915.db2.gz	KUDHVQBOLXZJRO-GASCZTMLSA-N	1	3	230.355	2.070	1	0		BEAFHO
CN1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccccc1)C2	ZINC000001995694	173189917	/nfs/dbraw/zinc/18/99/17/173189917.db2.gz	KUDHVQBOLXZJRO-GASCZTMLSA-N	1	3	230.355	2.070	1	0		BEAFHO
CCCOc1nccnc1C1C[NH+]2CCC1CC2	ZINC000013743098	169328739	/nfs/dbraw/zinc/32/87/39/169328739.db2.gz	OMUAJMMRMCPDBL-GFCCVEGCSA-N	1	3	247.342	2.075	1	0		BEAFHO
Cc1ccc(SCCNCCC[NH3+])cc1	ZINC000027216352	187765259	/nfs/dbraw/zinc/76/52/59/187765259.db2.gz	GBSDLJUGYRBAOD-UHFFFAOYSA-N	1	3	224.373	2.026	1	0		BEAFHO
Cc1cccc2[n+]1C[C@@H]1C[C@H]2CN2CCCC[C@H]12	ZINC000085487415	560076096	/nfs/dbraw/zinc/07/60/96/560076096.db2.gz	XYNSPFVRYARHDF-SOUVJXGZSA-N	1	3	242.366	2.128	1	0	biogenic,in-vitro	BEAFHO
COc1ccc2c(c1)nccc2NCC[NH+](C)C	ZINC000045284096	175205872	/nfs/dbraw/zinc/20/58/72/175205872.db2.gz	KDNRCHSNXLRCAR-UHFFFAOYSA-N	1	3	245.326	2.217	1	0		BEAFHO