smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NN=C1NC(=[NH2+])c2ccccc21	ZINC000013571731	181188089	/nfs/dbraw/zinc/18/80/89/181188089.db2.gz	MMCURALNZRAPHY-UHFFFAOYSA-N	2	2	202.221	-0.450	50	30		BBEALP
CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCOCC1	ZINC000058392934	385003303	/nfs/dbraw/zinc/00/33/03/385003303.db2.gz	SBTXAWBETYHFOV-SNVBAGLBSA-N	2	2	228.340	-0.123	50	30		BBEALP
CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCOCC1	ZINC000058392935	385003828	/nfs/dbraw/zinc/00/38/28/385003828.db2.gz	SBTXAWBETYHFOV-JTQLQIEISA-N	2	2	228.340	-0.123	50	30		BBEALP
COCC[N@@H+](C)CCNC(=[NH2+])N1CCOCC1	ZINC000072272557	343127772	/nfs/dbraw/zinc/12/77/72/343127772.db2.gz	FEEZYYXIFZOCTD-UHFFFAOYSA-N	2	2	244.339	-0.789	50	30		BBEALP
COCC[N@H+](C)CCNC(=[NH2+])N1CCOCC1	ZINC000072272557	343127771	/nfs/dbraw/zinc/12/77/71/343127771.db2.gz	FEEZYYXIFZOCTD-UHFFFAOYSA-N	2	2	244.339	-0.789	50	30		BBEALP
C[C@@H](CNC(=[NH2+])N(C)C)[N@H+]1CCOC[C@H]1C	ZINC000170653846	363930129	/nfs/dbraw/zinc/93/01/29/363930129.db2.gz	GNQZLFXAPGOHIC-VHSXEESVSA-N	2	2	228.340	-0.028	50	30		BBEALP
C[C@@H](CNC(=[NH2+])N(C)C)[N@@H+]1CCOC[C@H]1C	ZINC000170653846	363930125	/nfs/dbraw/zinc/93/01/25/363930125.db2.gz	GNQZLFXAPGOHIC-VHSXEESVSA-N	2	2	228.340	-0.028	50	30		BBEALP
C[C@@H](CNC(=[NH2+])N(C)C)[N@H+]1CCOC[C@@H]1C	ZINC000170653848	363930386	/nfs/dbraw/zinc/93/03/86/363930386.db2.gz	GNQZLFXAPGOHIC-UWVGGRQHSA-N	2	2	228.340	-0.028	50	30		BBEALP
C[C@@H](CNC(=[NH2+])N(C)C)[N@@H+]1CCOC[C@@H]1C	ZINC000170653848	363930382	/nfs/dbraw/zinc/93/03/82/363930382.db2.gz	GNQZLFXAPGOHIC-UWVGGRQHSA-N	2	2	228.340	-0.028	50	30		BBEALP
CNC(=[NH2+])NCC[N@H+]1CCOC(C)(C)C1	ZINC000171146103	388401348	/nfs/dbraw/zinc/40/13/48/388401348.db2.gz	DIQWCRBOGMGXET-UHFFFAOYSA-N	2	2	214.313	-0.369	50	30		BBEALP
CNC(=[NH2+])NCC[N@@H+]1CCOC(C)(C)C1	ZINC000171146103	388401344	/nfs/dbraw/zinc/40/13/44/388401344.db2.gz	DIQWCRBOGMGXET-UHFFFAOYSA-N	2	2	214.313	-0.369	50	30		BBEALP
C[N@H+]1CCO[C@@H](CNC(=[NH2+])NC2CC2)C1	ZINC000211429890	173100977	/nfs/dbraw/zinc/10/09/77/173100977.db2.gz	ZZPPNSXGVXLAKU-VIFPVBQESA-N	2	2	212.297	-0.616	50	30		BBEALP
C[N@@H+]1CCO[C@@H](CNC(=[NH2+])NC2CC2)C1	ZINC000211429890	173100975	/nfs/dbraw/zinc/10/09/75/173100975.db2.gz	ZZPPNSXGVXLAKU-VIFPVBQESA-N	2	2	212.297	-0.616	50	30		BBEALP
C[C@H](CNC(=[NH2+])N(C)C)[N@H+]1CCOC[C@@H]1C	ZINC000225407961	177293586	/nfs/dbraw/zinc/29/35/86/177293586.db2.gz	GNQZLFXAPGOHIC-ZJUUUORDSA-N	2	2	228.340	-0.028	50	30		BBEALP
C[C@H](CNC(=[NH2+])N(C)C)[N@@H+]1CCOC[C@@H]1C	ZINC000225407961	177293585	/nfs/dbraw/zinc/29/35/85/177293585.db2.gz	GNQZLFXAPGOHIC-ZJUUUORDSA-N	2	2	228.340	-0.028	50	30		BBEALP
C[C@H](CNC(=[NH2+])N(C)C)[N@H+]1CCOC[C@H]1C	ZINC000252515059	363524052	/nfs/dbraw/zinc/52/40/52/363524052.db2.gz	GNQZLFXAPGOHIC-NXEZZACHSA-N	2	2	228.340	-0.028	50	30		BBEALP
C[C@H](CNC(=[NH2+])N(C)C)[N@@H+]1CCOC[C@H]1C	ZINC000252515059	363524045	/nfs/dbraw/zinc/52/40/45/363524045.db2.gz	GNQZLFXAPGOHIC-NXEZZACHSA-N	2	2	228.340	-0.028	50	30		BBEALP