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)C[C@@H]1CCN(Cc2cccc(CN3CC[C@H](C[NH+](C)C)C3)c2)C1	ZINC000114479804	543520264	/nfs/dbraw/zinc/52/02/64/543520264.db2.gz	YFGUFBCUYNIOBA-SZPZYZBQSA-N	2	3	358.574	2.454	10	0		FEAEHP
C[NH+](C)C[C@@H]1CCN(Cc2cccc(CN3CC[C@@H](C[NH+](C)C)C3)c2)C1	ZINC000246456210	549137142	/nfs/dbraw/zinc/13/71/42/549137142.db2.gz	YFGUFBCUYNIOBA-VXKWHMMOSA-N	2	3	358.574	2.454	10	0		FEAEHP
C[NH+](C)C[C@@H]1CCN(Cc2ccccc2CN2CC[C@H](C[NH+](C)C)C2)C1	ZINC000114480217	543520221	/nfs/dbraw/zinc/52/02/21/543520221.db2.gz	RAKZUVFIFDKERL-BGYRXZFFSA-N	2	3	358.574	2.454	10	0		FEAEHP
NC(=[NH2+])c1ccc2nc(CCCc3nc4ccc(C(N)=[NH2+])cc4[nH]3)[nH]c2c1	ZINC000005117256	539402667	/nfs/dbraw/zinc/40/26/67/539402667.db2.gz	JSWDSBAWSDFTEK-UHFFFAOYSA-N	2	3	360.425	2.183	10	0		FEAEHP
C[NH+](C)C[C@H]1CCN(Cc2ccccc2CN2CC[C@H](C[NH+](C)C)C2)C1	ZINC000114480218	543520275	/nfs/dbraw/zinc/52/02/75/543520275.db2.gz	RAKZUVFIFDKERL-WOJBJXKFSA-N	2	3	358.574	2.454	10	0		FEAEHP
C[NH+](C)C[C@H]1CCN(Cc2cccc(CN3CC[C@H](C[NH+](C)C)C3)c2)C1	ZINC000114479805	543519928	/nfs/dbraw/zinc/51/99/28/543519928.db2.gz	YFGUFBCUYNIOBA-FGZHOGPDSA-N	2	3	358.574	2.454	10	0		FEAEHP
CC(C)[NH+]1CCC([C@H]2N[C@](CO)(c3ccccc3)[C@H]3C[N@H+](C)C[C@H]32)CC1	ZINC000065532554	541243769	/nfs/dbraw/zinc/24/37/69/541243769.db2.gz	WOCKBKJIKFVCFL-CIAFKFPVSA-N	2	3	357.542	2.144	10	0		FEAEHP
CC(C)[NH+]1CCC([C@H]2N[C@](CO)(c3ccccc3)[C@H]3C[N@@H+](C)C[C@H]32)CC1	ZINC000065532554	541243772	/nfs/dbraw/zinc/24/37/72/541243772.db2.gz	WOCKBKJIKFVCFL-CIAFKFPVSA-N	2	3	357.542	2.144	10	0		FEAEHP
C[NH+](C)C[C@@H]1CCN(Cc2ccccc2CN2CC[C@@H](C[NH+](C)C)C2)C1	ZINC000246403822	549125347	/nfs/dbraw/zinc/12/53/47/549125347.db2.gz	RAKZUVFIFDKERL-PMACEKPBSA-N	2	3	358.574	2.454	10	0		FEAEHP