smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(CNC(=O)CN2CC[NH2+]CC[NH2+]CC2)cc1	ZINC000923462255	807670804	/nfs/dbraw/zinc/67/08/04/807670804.db2.gz	GTQOOFWFJGYNEX-UHFFFAOYSA-N	2	1	319.453	-0.136	20	10		DBCDMP
[NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1O	ZINC001205967415	835373201	/nfs/dbraw/zinc/37/32/01/835373201.db2.gz	ODULTFOBWOREHD-GDBMZVCRSA-N	3	1	306.410	-0.304	20	10		DBCDMP
[NH3+][C@@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1O	ZINC001205967415	835373210	/nfs/dbraw/zinc/37/32/10/835373210.db2.gz	ODULTFOBWOREHD-GDBMZVCRSA-N	2	1	306.410	-0.304	20	10		DBCDMP
Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCNC[C@@H](O)C1	ZINC001210475342	978514705	/nfs/dbraw/zinc/51/47/05/978514705.db2.gz	LKEMJOSHSRQARE-OAHLLOKOSA-N	2	1	306.410	-0.432	20	10		DBCDMP
Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCNC[C@@H](O)C1	ZINC001210475342	978514710	/nfs/dbraw/zinc/51/47/10/978514710.db2.gz	LKEMJOSHSRQARE-OAHLLOKOSA-N	2	1	306.410	-0.432	20	10		DBCDMP
C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3C(N)=O)cc2)CC1	ZINC000895368569	671350218	/nfs/dbraw/zinc/35/02/18/671350218.db2.gz	SRFZWEAXWRTQHZ-CVEARBPZSA-N	2	1	318.421	-0.141	20	10		DBCDMP
C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)C[C@H]3C(N)=O)cc2)CC1	ZINC000895368569	671350225	/nfs/dbraw/zinc/35/02/25/671350225.db2.gz	SRFZWEAXWRTQHZ-CVEARBPZSA-N	2	1	318.421	-0.141	20	10		DBCDMP
C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc2c(cc1O)OCO2	ZINC000843047073	805606512	/nfs/dbraw/zinc/60/65/12/805606512.db2.gz	NJPUUIXOHWPSLP-UHFFFAOYSA-N	2	1	307.350	-0.016	20	10		DBCDMP
[NH3+]CCN1CCN(Cc2cc3c(cc2O)OCC[NH2+]C3)CC1	ZINC001210027437	978489347	/nfs/dbraw/zinc/48/93/47/978489347.db2.gz	CZYKLRGDBWHVCT-UHFFFAOYSA-N	2	1	306.410	-0.050	20	10		DBCDMP
[NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1O	ZINC001206481384	835398539	/nfs/dbraw/zinc/39/85/39/835398539.db2.gz	SSAHIUDCAHKEAY-XJKSGUPXSA-N	3	1	306.410	-0.447	20	10		DBCDMP
Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCNC[C@H](O)C1	ZINC001210475341	978514061	/nfs/dbraw/zinc/51/40/61/978514061.db2.gz	LKEMJOSHSRQARE-HNNXBMFYSA-N	2	1	306.410	-0.432	20	10		DBCDMP
Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCNC[C@H](O)C1	ZINC001210475341	978514064	/nfs/dbraw/zinc/51/40/64/978514064.db2.gz	LKEMJOSHSRQARE-HNNXBMFYSA-N	2	1	306.410	-0.432	20	10		DBCDMP
[NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@@H]1O	ZINC001206530863	835401473	/nfs/dbraw/zinc/40/14/73/835401473.db2.gz	SSAHIUDCAHKEAY-BBRMVZONSA-N	3	1	306.410	-0.447	20	10		DBCDMP