smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC[C@H](N)CC(=O)N[C@@H]1C=C[C@@H](n2ccc(N)nc2=O)O[C@H]1C(=O)[O-])C(N)=[NH2+]	ZINC000001529342	569064057	/nfs/dbraw/zinc/06/40/57/569064057.db2.gz	CXNPLSGKWMLZPZ-GIFSMMMISA-N	0	3	422.446	-2.219	10	0		HAAEHN
CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1C(=O)[O-])C(N)=[NH2+]	ZINC000004096233	560193940	/nfs/dbraw/zinc/19/39/40/560193940.db2.gz	REIIQZAQCCFGIJ-ZNIXKSQXSA-N	0	3	423.430	-2.508	10	0	in-vitro	HAAEHN
CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1C(=O)[O-])C(N)=[NH2+]	ZINC000004096234	560193922	/nfs/dbraw/zinc/19/39/22/560193922.db2.gz	REIIQZAQCCFGIJ-QOBDMFJFSA-N	0	3	423.430	-2.508	10	0	in-vitro	HAAEHN
C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000008076041	568490183	/nfs/dbraw/zinc/49/01/83/568490183.db2.gz	YFQSSOAGMZGXFT-MEYUZBJRSA-N	0	3	410.471	-1.174	10	0		HAAEHN
CN(C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)c2ccc3c(c2)OCO3)[C@@H](O)[C@@H]1O	ZINC000012603665	291154021	/nfs/dbraw/zinc/15/40/21/291154021.db2.gz	UXFSYDXAGPYWPR-BURFUSLBSA-N	0	3	409.439	-1.298	10	0	biogenic	HAAEHN
CN(CC[C@H](N)CC(=O)N[C@@H]1C=C[C@@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)[O-])C(N)=[NH2+]	ZINC000013545927	569053293	/nfs/dbraw/zinc/05/32/93/569053293.db2.gz	CXNPLSGKWMLZPZ-DJBIQUGXSA-N	0	3	422.446	-2.219	10	0		HAAEHN
CN(C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)c2ccc3c(c2)OCO3)[C@@H](O)[C@H]1O	ZINC000015675162	291154014	/nfs/dbraw/zinc/15/40/14/291154014.db2.gz	UXFSYDXAGPYWPR-CIRFHOKZSA-N	0	3	409.439	-1.298	10	0	biogenic	HAAEHN
CC1C2C[NH+]=C3NC(C(O)c4cc(=O)[nH]c(=O)[nH]4)CC(CC1OS(=O)(=O)[O-])N32	ZINC000096347829	559110082	/nfs/dbraw/zinc/11/00/82/559110082.db2.gz	LHJPHMKIGRLKDR-HYFWBKMBSA-N	0	3	415.428	-1.905	10	0		HAAEHN
CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)[O-])C(N)=[NH2+]	ZINC000137565603	569030695	/nfs/dbraw/zinc/03/06/95/569030695.db2.gz	CXNPLSGKWMLZPZ-NUZBWSBOSA-N	0	3	422.446	-2.219	10	0		HAAEHN
CN(CC[C@H](N)CC(=O)N[C@@H]1C=C[C@H](n2ccc(N)nc2=O)O[C@H]1C(=O)[O-])C(N)=[NH2+]	ZINC000253986325	569252787	/nfs/dbraw/zinc/25/27/87/569252787.db2.gz	CXNPLSGKWMLZPZ-GZZJDILISA-N	0	3	422.446	-2.219	10	0		HAAEHN