smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1	ZINC000159389450	491078337	/nfs/dbraw/zinc/07/83/37/491078337.db2.gz	CJIYGRKIISVRND-KOLCDFICSA-N	1	3	211.309	-0.064	20	70		BBIDHO
CC[C@@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1	ZINC000159389603	487772564	/nfs/dbraw/zinc/77/25/64/487772564.db2.gz	CJIYGRKIISVRND-MWLCHTKSSA-N	1	3	211.309	-0.064	20	70		BBIDHO
[NH3+]CCCN1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000160140686	488109796	/nfs/dbraw/zinc/10/97/96/488109796.db2.gz	XJEGFCUCXPFLAY-UWVGGRQHSA-N	1	3	211.309	-0.064	20	70		BBIDHO
[NH3+]CCCN1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000160140799	488110306	/nfs/dbraw/zinc/11/03/06/488110306.db2.gz	XJEGFCUCXPFLAY-VHSXEESVSA-N	1	3	211.309	-0.064	20	70		BBIDHO
[NH3+]CCCN1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000160140948	488110108	/nfs/dbraw/zinc/11/01/08/488110108.db2.gz	XJEGFCUCXPFLAY-ZJUUUORDSA-N	1	3	211.309	-0.064	20	70		BBIDHO
[NH3+]CCCN1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000160141094	488109866	/nfs/dbraw/zinc/10/98/66/488109866.db2.gz	XJEGFCUCXPFLAY-NXEZZACHSA-N	1	3	211.309	-0.064	20	70		BBIDHO
[NH3+]C[C@H]1CCCN1C(=O)[C@]1(F)CCNC1	ZINC000160394796	386542461	/nfs/dbraw/zinc/54/24/61/386542461.db2.gz	JDGUEFKKHWWRJL-SCZZXKLOSA-N	1	3	215.272	-0.362	20	70		BBIDHO
[NH3+]C[C@@H]1CCCN1C(=O)[C@]1(F)CCNC1	ZINC000160394918	388062988	/nfs/dbraw/zinc/06/29/88/388062988.db2.gz	JDGUEFKKHWWRJL-WPRPVWTQSA-N	1	3	215.272	-0.362	20	70		BBIDHO
[NH3+]C[C@H]1CCCN1C(=O)[C@@]1(F)CCNC1	ZINC000160395059	388062562	/nfs/dbraw/zinc/06/25/62/388062562.db2.gz	JDGUEFKKHWWRJL-PSASIEDQSA-N	1	3	215.272	-0.362	20	70		BBIDHO
[NH3+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CCNC1	ZINC000160395206	388062737	/nfs/dbraw/zinc/06/27/37/388062737.db2.gz	JDGUEFKKHWWRJL-WCBMZHEXSA-N	1	3	215.272	-0.362	20	70		BBIDHO
[NH3+][C@@H]1CCC[C@@H](NC(=O)C[C@@H]2CNCCO2)C1	ZINC000161177759	487482945	/nfs/dbraw/zinc/48/29/45/487482945.db2.gz	IPTJBDVVFJSMBW-GMTAPVOTSA-N	1	3	241.335	-0.249	20	70		BBIDHO
[NH3+][C@@H]1CCC[C@H](NC(=O)C[C@@H]2CNCCO2)C1	ZINC000161178001	487483294	/nfs/dbraw/zinc/48/32/94/487483294.db2.gz	IPTJBDVVFJSMBW-OUAUKWLOSA-N	1	3	241.335	-0.249	20	70		BBIDHO
CNCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000217809464	134250336	/nfs/dbraw/zinc/25/03/36/134250336.db2.gz	XJPRSTSLSDBNDD-ZJUUUORDSA-N	1	3	211.309	-0.051	20	70		BBIDHO
CNCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000217809464	134250335	/nfs/dbraw/zinc/25/03/35/134250335.db2.gz	XJPRSTSLSDBNDD-ZJUUUORDSA-N	1	3	211.309	-0.051	20	70		BBIDHO
CNCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000217809540	134250576	/nfs/dbraw/zinc/25/05/76/134250576.db2.gz	XJPRSTSLSDBNDD-UWVGGRQHSA-N	1	3	211.309	-0.051	20	70		BBIDHO
CNCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000217809540	134250575	/nfs/dbraw/zinc/25/05/75/134250575.db2.gz	XJPRSTSLSDBNDD-UWVGGRQHSA-N	1	3	211.309	-0.051	20	70		BBIDHO