smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1C(N(C)C)=[NH+]c2cc(N)ccc2[C@H]1CC(=O)NCc1ccc(N)cc1	ZINC000045367924	205095970	/nfs/dbraw/zinc/09/59/70/205095970.db2.gz	CJXVSJOYOPIRCV-LJQANCHMSA-N	1	0	380.496	2.483	1	10		GECFRO
COc1cc([C@@H](O)[C@H]2C[NH2+]CCc3cc(O)c(O)cc32)cc(OC)c1OC	ZINC000040766720	205071728	/nfs/dbraw/zinc/07/17/28/205071728.db2.gz	QOXCHICYLMYKFV-IFXJQAMLSA-N	1	0	375.421	2.087	1	10		GECFRO
Nc1ccc(-c2nc(N3CCOCC3)nc3c2CCN3c2cc[nH+]cc2)cn1	ZINC000095596313	136182520	/nfs/dbraw/zinc/18/25/20/136182520.db2.gz	DDHUONMGKXGFBS-UHFFFAOYSA-N	1	0	375.436	2.047	1	10		GECFRO
CCN1C2=N[C@@H]3CCC[C@@H]3N2[C@@H]2NC(=N[N+]#N)N(Cc3ccc(O)cc3)[C@H]2C1=O	ZINC000040943170	205075257	/nfs/dbraw/zinc/07/52/57/205075257.db2.gz	DCDYUOIGFONWJC-QXSJWSMHSA-N	1	0	394.439	2.024	1	10		GECFRO
CCN1C2=N[C@@H]3CCC[C@@H]3N2[C@H]2NC(=N[N+]#N)N(Cc3ccc(O)cc3)[C@@H]2C1=O	ZINC000040943172	205076180	/nfs/dbraw/zinc/07/61/80/205076180.db2.gz	DCDYUOIGFONWJC-FXUDXRNXSA-N	1	0	394.439	2.024	1	10		GECFRO
[NH3+]CCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3	ZINC000027189671	207324309	/nfs/dbraw/zinc/32/43/09/207324309.db2.gz	NQRNJKOFAHJGTF-UHFFFAOYSA-N	1	0	393.355	2.199	1	10		GECFRO
C[C@H]1O[C@@H](c2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@@H]([NH+](C)C)[C@@H]1O	ZINC000026259024	207311514	/nfs/dbraw/zinc/31/15/14/207311514.db2.gz	GESCOWUSZSUUEF-ZSDNKIRRSA-N	1	0	381.428	2.309	1	10		GECFRO
CCN1C2=N[C@@H]3CCC[C@@H]3N2[C@H]2NC(=N[N+]#N)N(Cc3ccc(O)cc3)[C@H]2C1=O	ZINC000040943174	581098269	/nfs/dbraw/zinc/09/82/69/581098269.db2.gz	DCDYUOIGFONWJC-QKPAOTATSA-N	1	0	394.439	2.024	1	10		GECFRO
CCN1C2=N[C@@H]3CCC[C@@H]3N2[C@@H]2NC(=N[N+]#N)N(Cc3ccc(O)cc3)[C@@H]2C1=O	ZINC000040943168	581098301	/nfs/dbraw/zinc/09/83/01/581098301.db2.gz	DCDYUOIGFONWJC-UGUYLWEFSA-N	1	0	394.439	2.024	1	10		GECFRO
COc1ccc2c(c1)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCC[NH3+])C2=O	ZINC000095595778	222357914	/nfs/dbraw/zinc/35/79/14/222357914.db2.gz	GQXZIEPLEHLFHB-UHFFFAOYSA-N	1	0	379.372	2.479	1	10		GECFRO