smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1	ZINC000022035371	526425191	/nfs/dbraw/zinc/42/51/91/526425191.db2.gz	MEXXPUQBIMRDIJ-UHFFFAOYSA-N	4	0	446.688	-1.145	10	0		IAAERP
c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1CN1CC[NH2+]CCNCC[NH2+]CC1	ZINC000027211820	563041012	/nfs/dbraw/zinc/04/10/12/563041012.db2.gz	WPVKOBPYIJPLAE-UHFFFAOYSA-N	4	0	446.688	-1.145	10	0		IAAERP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000039830433	563099252	/nfs/dbraw/zinc/09/92/52/563099252.db2.gz	BTJVOUQWFXABOI-IHRRRGAJSA-N	3	0	430.554	-2.111	10	0		IAAERP
C[NH2+][C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]3OC(C[NH3+])=CC[C@H]3[NH3+])[C@H]2O)OC[C@]1(C)O	ZINC000056897660	563142768	/nfs/dbraw/zinc/14/27/68/563142768.db2.gz	URWAJWIAIPFPJE-VHLNBGGKSA-N	5	0	447.533	-3.852	10	0	in-man	IAAERP
C[NH2+][C@@H]1[C@H](O)[C@@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]3OC(C[NH3+])=CC[C@H]3[NH3+])[C@@H]2O)OC[C@]1(C)O	ZINC000060184547	556807095	/nfs/dbraw/zinc/80/70/95/556807095.db2.gz	URWAJWIAIPFPJE-ULATWWJCSA-N	5	0	447.533	-3.852	10	0	in-man	IAAERP
C[NH2+][C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@H](O[C@H]3OC(C[NH3+])=CC[C@H]3[NH3+])[C@@H]2O)OC[C@]1(C)O	ZINC000077313029	556998777	/nfs/dbraw/zinc/99/87/77/556998777.db2.gz	URWAJWIAIPFPJE-GDLQPTSQSA-N	5	0	447.533	-3.852	10	0	in-vitro	IAAERP
C[NH2+][C@@H]1[C@H](O)[C@@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@H](O[C@H]3OC(C[NH3+])=CC[C@H]3[NH3+])[C@@H]2O)OC[C@]1(C)O	ZINC000077313035	569293517	/nfs/dbraw/zinc/29/35/17/569293517.db2.gz	URWAJWIAIPFPJE-LCJATLOASA-N	5	0	447.533	-3.852	10	0	in-vitro	IAAERP
[NH3+]CCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCC[NH3+]	ZINC000261507466	568735080	/nfs/dbraw/zinc/73/50/80/568735080.db2.gz	IWNWUGLDOVFZHJ-UHFFFAOYSA-N	2	0	436.554	-1.651	10	0		IAAERP