smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[N@H+]1CCN(CCc2cn(CC(=O)OC)nn2)C[C@H]1C	ZINC000159920477	377223298	/nfs/dbraw/zinc/22/32/98/377223298.db2.gz	HJGVUPQFFIXQLX-CYBMUJFWSA-N	1	1	325.413	-0.354	10	70		EBIEMO
COCCN1CC[N@H+](CCc2cn(CC(=O)OC)nn2)C[C@H]1C	ZINC000159920477	377223308	/nfs/dbraw/zinc/22/33/08/377223308.db2.gz	HJGVUPQFFIXQLX-CYBMUJFWSA-N	1	1	325.413	-0.354	10	70		EBIEMO
COCCN1CC[N@@H+](CCc2cn(CC(=O)OC)nn2)C[C@H]1C	ZINC000159920477	377223313	/nfs/dbraw/zinc/22/33/13/377223313.db2.gz	HJGVUPQFFIXQLX-CYBMUJFWSA-N	1	1	325.413	-0.354	10	70		EBIEMO
COCC[N@H+]1CCN(CCc2cn(CC(=O)OC)nn2)C[C@@H]1C	ZINC000159920612	377223109	/nfs/dbraw/zinc/22/31/09/377223109.db2.gz	HJGVUPQFFIXQLX-ZDUSSCGKSA-N	1	1	325.413	-0.354	10	70		EBIEMO
COCCN1CC[N@H+](CCc2cn(CC(=O)OC)nn2)C[C@@H]1C	ZINC000159920612	377223121	/nfs/dbraw/zinc/22/31/21/377223121.db2.gz	HJGVUPQFFIXQLX-ZDUSSCGKSA-N	1	1	325.413	-0.354	10	70		EBIEMO
COCCN1CC[N@@H+](CCc2cn(CC(=O)OC)nn2)C[C@@H]1C	ZINC000159920612	377223126	/nfs/dbraw/zinc/22/31/26/377223126.db2.gz	HJGVUPQFFIXQLX-ZDUSSCGKSA-N	1	1	325.413	-0.354	10	70		EBIEMO
CC(C)[N@@H+]1C[C@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)[C@@H](C)C1	ZINC000161375559	377343888	/nfs/dbraw/zinc/34/38/88/377343888.db2.gz	UZWANLIROTYQQX-RYUDHWBXSA-N	1	1	343.453	-0.457	10	70		EBIEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)C1	ZINC000161375441	377343937	/nfs/dbraw/zinc/34/39/37/377343937.db2.gz	UZWANLIROTYQQX-NEPJUHHUSA-N	1	1	343.453	-0.457	10	70		EBIEMO
CC[C@@H]1CN(CCc2cn(CC(=O)OC)nn2)CC[N@H+]1C[C@@H](C)O	ZINC000159913865	377220624	/nfs/dbraw/zinc/22/06/24/377220624.db2.gz	VWXGDNLJLKQARF-UKRRQHHQSA-N	1	1	339.440	-0.229	10	70		EBIEMO
COC(=O)Cn1cc(CC[N@H+]2CCCN(c3cccnn3)CC2)nn1	ZINC000159880093	377314128	/nfs/dbraw/zinc/31/41/28/377314128.db2.gz	MFDXZJFVUMNNOF-UHFFFAOYSA-N	1	1	345.407	-0.004	10	70		EBIEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)C1	ZINC000161260411	381618681	/nfs/dbraw/zinc/61/86/81/381618681.db2.gz	KORZRBZZMQMNRP-YPMHNXCESA-N	1	1	343.453	-0.457	10	70		EBIEMO
CC[C@H]1CN(CCc2cn(CC(=O)OC)nn2)CC[N@H+]1C[C@@H](C)O	ZINC000159913999	377220906	/nfs/dbraw/zinc/22/09/06/377220906.db2.gz	VWXGDNLJLKQARF-HIFRSBDPSA-N	1	1	339.440	-0.229	10	70		EBIEMO
CC(C)[N@@H+]1C[C@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)[C@@H](C)C1	ZINC000161260537	381617557	/nfs/dbraw/zinc/61/75/57/381617557.db2.gz	KORZRBZZMQMNRP-AAEUAGOBSA-N	1	1	343.453	-0.457	10	70		EBIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc(S(N)(=O)=O)cn1	ZINC000160521963	377327853	/nfs/dbraw/zinc/32/78/53/377327853.db2.gz	OCYMFUGWOKCVES-GFCCVEGCSA-N	1	1	343.453	-0.233	10	70		EBIEMO