smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2CN=Nc2ncc(F)c(N3CCOCC3)n2)CC1	ZINC000032109585	556530039	/nfs/dbraw/zinc/53/00/39/556530039.db2.gz	WURYQMAGYSUGNE-QRVIBDJDSA-N	1	1	444.471	1.558	40	30		IDEBMO
C#CCNC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(C(F)(F)F)cc2)[N@@H+]1C	ZINC000022923445	556341363	/nfs/dbraw/zinc/34/13/63/556341363.db2.gz	XSWAIOAWCGLRKR-NSHGMRRFSA-N	1	1	436.478	1.608	40	30	biogenic,in-vitro	IDEBMO
COC(=O)[C@H](N)CCCNC(=[NH2+])NS(=O)(=O)c1c(C)c2c(c(C)c1C)OC(C)(C)C2	ZINC000208933833	569190226	/nfs/dbraw/zinc/19/02/26/569190226.db2.gz	WAVIIAKQONVPGL-OAHLLOKOSA-N	1	1	440.566	1.199	40	30		IDEBMO
NC(=[NH2+])NN=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000104291256	557324308	/nfs/dbraw/zinc/32/43/08/557324308.db2.gz	BNYLDSTYMGXKHZ-NSMHLIOHSA-N	1	1	426.349	1.073	40	30		IDEBMO
NC(=[NH2+])NN=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000017211352	556673332	/nfs/dbraw/zinc/67/33/32/556673332.db2.gz	BNYLDSTYMGXKHZ-PXNCGERRSA-N	1	1	426.349	1.073	40	30		IDEBMO