smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]Cc1ccc(N2CC[NH2+]CC2)cc1	44248902	132191357	/nfs/dbraw/zinc/19/13/57/132191357.db2.gz	AMMWIBNKEHSGDR-UHFFFAOYSA-N	2	0	191.278	0.555	40	10	in-vitro	ACCBRP
CON=[N+](O)C(C)N(O)N=[O+]C	19320514	168075078	/nfs/dbraw/zinc/07/50/78/168075078.db2.gz	VSPXRIFIYMDYJJ-SFECMWDFSA-N	2	0	178.148	0.380	40	10		ACCBRP
[NH3+]Cc1ccc(O)c(C[NH3+])c1	95721897	169223643	/nfs/dbraw/zinc/22/36/43/169223643.db2.gz	KOJDLFFRWKSEAS-UHFFFAOYSA-N	2	0	152.197	0.310	40	10		ACCBRP
C[NH+](C)Cc1cc(C[NH3+])cc(N)c1O	225723585	325629658	/nfs/dbraw/zinc/62/96/58/325629658.db2.gz	OWAUEKQXJQHYEW-UHFFFAOYSA-N	2	0	195.266	0.495	40	10		ACCBRP
[NH3+]Cc1cc(O)c(O)c(C[NH3+])c1	225722680	351798578	/nfs/dbraw/zinc/79/85/78/351798578.db2.gz	WBXVUJXPORHXGC-UHFFFAOYSA-N	2	0	168.196	0.015	40	10		ACCBRP
COc1cc(C[NH3+])cc(C[NH3+])c1O	225722648	351798604	/nfs/dbraw/zinc/79/86/04/351798604.db2.gz	OIYAKWIGDGYMJS-UHFFFAOYSA-N	2	0	182.223	0.318	40	10		ACCBRP
C[NH+](C)Cc1cc(C[NH3+])cc(O)c1O	225723430	351799020	/nfs/dbraw/zinc/79/90/20/351799020.db2.gz	JCVRACRJWJTTAN-UHFFFAOYSA-N	2	0	196.250	0.618	40	10		ACCBRP
CC(C)(N=NC(C)(C)C(N)=[NH2+])C(N)=[NH2+]	242437489	409526115	/nfs/dbraw/zinc/52/61/15/409526115.db2.gz	CCTFAOUOYLVUFG-UHFFFAOYSA-N	2	0	198.274	0.868	40	10		ACCBRP