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	377223290	/nfs/dbraw/zinc/22/32/90/377223290.db2.gz	HJGVUPQFFIXQLX-CYBMUJFWSA-N	1	0	325.413	-0.354	10	70		EBIERO
C[NH+](C)[C@H](CNC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1	ZINC000160229413	282238075	/nfs/dbraw/zinc/23/80/75/282238075.db2.gz	NDTHVPWCLCVZNY-HUUCEWRRSA-N	1	0	334.420	-0.408	10	70		EBIERO
COCC[N@@H+]1CCN(CCc2cn(CC(=O)OC)nn2)C[C@@H]1C	ZINC000159920612	377223099	/nfs/dbraw/zinc/22/30/99/377223099.db2.gz	HJGVUPQFFIXQLX-ZDUSSCGKSA-N	1	0	325.413	-0.354	10	70		EBIERO
CC(C)[N@H+]1C[C@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)[C@@H](C)C1	ZINC000161375559	377343874	/nfs/dbraw/zinc/34/38/74/377343874.db2.gz	UZWANLIROTYQQX-RYUDHWBXSA-N	1	0	343.453	-0.457	10	70		EBIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)C1	ZINC000161375441	377343925	/nfs/dbraw/zinc/34/39/25/377343925.db2.gz	UZWANLIROTYQQX-NEPJUHHUSA-N	1	0	343.453	-0.457	10	70		EBIERO
COC(=O)Cn1cc(CCN2CCO[C@H](Cn3cc(C)cn3)C2)nn1	ZINC000159988659	377315704	/nfs/dbraw/zinc/31/57/04/377315704.db2.gz	YFUXQZJCABODOC-HNNXBMFYSA-N	1	0	348.407	-0.100	10	70		EBIERO
CC[C@@H]1CN(CCc2cn(CC(=O)OC)nn2)CC[N@@H+]1C[C@@H](C)O	ZINC000159913865	377220596	/nfs/dbraw/zinc/22/05/96/377220596.db2.gz	VWXGDNLJLKQARF-UKRRQHHQSA-N	1	0	339.440	-0.229	10	70		EBIERO
COC(=O)Cn1cc(CCN2CCO[C@@H](Cn3cccn3)C2)nn1	ZINC000159984188	377315342	/nfs/dbraw/zinc/31/53/42/377315342.db2.gz	SSHUDBFDNNEXFP-CQSZACIVSA-N	1	0	334.380	-0.409	10	70		EBIERO
COC(=O)Cn1cc(CCN2CCO[C@@H](Cn3cc(C)cn3)C2)nn1	ZINC000159988821	377316159	/nfs/dbraw/zinc/31/61/59/377316159.db2.gz	YFUXQZJCABODOC-OAHLLOKOSA-N	1	0	348.407	-0.100	10	70		EBIERO
COC(=O)Cn1cc(CC[N@@H+]2CCCN(c3cccnn3)CC2)nn1	ZINC000159880093	377314099	/nfs/dbraw/zinc/31/40/99/377314099.db2.gz	MFDXZJFVUMNNOF-UHFFFAOYSA-N	1	0	345.407	-0.004	10	70		EBIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)C1	ZINC000161260411	381618672	/nfs/dbraw/zinc/61/86/72/381618672.db2.gz	KORZRBZZMQMNRP-YPMHNXCESA-N	1	0	343.453	-0.457	10	70		EBIERO
CC[C@H]1CN(CCc2cn(CC(=O)OC)nn2)CC[N@@H+]1C[C@@H](C)O	ZINC000159913999	377220900	/nfs/dbraw/zinc/22/09/00/377220900.db2.gz	VWXGDNLJLKQARF-HIFRSBDPSA-N	1	0	339.440	-0.229	10	70		EBIERO
C[NH+](C)[C@@H](CNC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1	ZINC000160229262	282171172	/nfs/dbraw/zinc/17/11/72/282171172.db2.gz	NDTHVPWCLCVZNY-LSDHHAIUSA-N	1	0	334.420	-0.408	10	70		EBIERO
CN(CC(=O)N1CCOCC1)C(=O)CN1CCC(c2cc[nH]n2)CC1	ZINC000160655499	378295248	/nfs/dbraw/zinc/29/52/48/378295248.db2.gz	IUVKKVDOKHXMCM-UHFFFAOYSA-N	1	0	349.435	-0.094	10	70		EBIERO
CC(C)[N@H+]1C[C@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)[C@@H](C)C1	ZINC000161260537	381617506	/nfs/dbraw/zinc/61/75/06/381617506.db2.gz	KORZRBZZMQMNRP-AAEUAGOBSA-N	1	0	343.453	-0.457	10	70		EBIERO
COC(=O)Cn1cc(CCN2CCO[C@H](Cn3cccn3)C2)nn1	ZINC000159984016	377316486	/nfs/dbraw/zinc/31/64/86/377316486.db2.gz	SSHUDBFDNNEXFP-AWEZNQCLSA-N	1	0	334.380	-0.409	10	70		EBIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc(S(N)(=O)=O)cn1	ZINC000160521963	377327832	/nfs/dbraw/zinc/32/78/32/377327832.db2.gz	OCYMFUGWOKCVES-GFCCVEGCSA-N	1	0	343.453	-0.233	10	70		EBIERO