smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1csc([C@H]2CNCC[NH2+]CCNCC[NH2+]2)c1	ZINC000029126251	171586478	/nfs/dbraw/zinc/58/64/78/171586478.db2.gz	AOUDDUNPSKEERG-LLVKDONJSA-N	2	1	254.403	0.161	1	0		CCAFMP
[NH2+]=C1NC(=[NH2+])N(OCc2ccccc2)[C@@H](C2CC2)N1	ZINC000072104663	176315677	/nfs/dbraw/zinc/31/56/77/176315677.db2.gz	WTIXHXUWEFZZHQ-NSHDSACASA-N	2	1	259.313	0.799	1	0		CCAFMP
Cn1cc(CCC[N@H+](C)Cc2cc3n(n2)CC[NH2+]C3)cn1	ZINC000072159165	176329504	/nfs/dbraw/zinc/32/95/04/176329504.db2.gz	SGXTXJLEUKARNP-UHFFFAOYSA-N	2	1	288.399	0.784	1	0		CCAFMP
Cn1cc(CCC[N@@H+](C)Cc2cc3n(n2)CC[NH2+]C3)cn1	ZINC000072159165	176329505	/nfs/dbraw/zinc/32/95/05/176329505.db2.gz	SGXTXJLEUKARNP-UHFFFAOYSA-N	2	1	288.399	0.784	1	0		CCAFMP
CC(=[NH2+])NCCCNCCC[NH2+]CCCNC(C)=[NH2+]	ZINC000072120113	176319744	/nfs/dbraw/zinc/31/97/44/176319744.db2.gz	XYDZSXLHJYXZDY-UHFFFAOYSA-N	3	1	270.425	0.509	1	0		CCAFMP
CC[NH2+]CCCNCCC[NH2+]CCC[NH2+]CC1CC1	ZINC000005853032	170147173	/nfs/dbraw/zinc/14/71/73/170147173.db2.gz	KSVHRPDYWHUWNQ-UHFFFAOYSA-N	3	1	270.465	0.945	1	0		CCAFMP
[NH2+]=C1NC(=[NH2+])N(OCc2ccccc2)[C@H](C2CC2)N1	ZINC000072104662	176315792	/nfs/dbraw/zinc/31/57/92/176315792.db2.gz	WTIXHXUWEFZZHQ-LLVKDONJSA-N	2	1	259.313	0.799	1	0		CCAFMP
[NH2+]=C1NC(=[NH2+])N(OCc2ccccc2)C2(CCC2)N1	ZINC000072104768	176315739	/nfs/dbraw/zinc/31/57/39/176315739.db2.gz	BJBDENXRFOHTKA-UHFFFAOYSA-N	2	1	259.313	0.943	1	0		CCAFMP
C[NH+](C)CCCNC(=O)[C@@H]([NH3+])c1cccc(O)c1	ZINC000083385171	178392608	/nfs/dbraw/zinc/39/26/08/178392608.db2.gz	KSEUOWAHQDFOCP-LBPRGKRZSA-N	2	1	251.330	0.460	1	0	in-vitro	CCAFMP