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)N(C)CC(=O)N1CCC[C@H]1C[NH3+]	ZINC000160143270	188047781	/nfs/dbraw/zinc/04/77/81/188047781.db2.gz	AWXKBNJUTPEDEM-JTQLQIEISA-N	1	3	213.325	0.276	10	70		BCIEHO
CCC[C@@H](C(=O)NC1CC[NH+](C)CC1)N(C)C	ZINC000161290213	387180788	/nfs/dbraw/zinc/18/07/88/387180788.db2.gz	DUMPNHZDVAMPNK-LBPRGKRZSA-N	1	3	241.379	0.927	10	70		BCIEHO
CCN(CCNC1CC[NH2+]CC1)C1CC1	ZINC000217502604	134248794	/nfs/dbraw/zinc/24/87/94/134248794.db2.gz	ITTPPEPBLSIVOM-UHFFFAOYSA-N	1	3	211.353	0.812	10	70		BCIEHO
C[NH2+][C@H](C)C(=O)NC[C@@H](C)N1CCCC1	ZINC000161069098	343203865	/nfs/dbraw/zinc/20/38/65/343203865.db2.gz	QQJRGWGLMJIHPD-NXEZZACHSA-N	1	3	213.325	0.195	10	70		BCIEHO
C[C@H]([NH3+])CC(=O)NC[C@H](C)N1CCCC1	ZINC000161044163	487473561	/nfs/dbraw/zinc/47/35/61/487473561.db2.gz	BBEMHXGUNRXHDE-UWVGGRQHSA-N	1	3	213.325	0.324	10	70		BCIEHO
CCC[C@H](O)CN[C@H]1CCC[NH2+]CC1	ZINC000217735522	134250353	/nfs/dbraw/zinc/25/03/53/134250353.db2.gz	QTTFAAPFGBSMJT-QWRGUYRKSA-N	1	3	200.326	0.879	10	70		BCIEHO
CCC[C@H](O)CN[C@@H]1CCC[NH2+]CC1	ZINC000217735357	134250674	/nfs/dbraw/zinc/25/06/74/134250674.db2.gz	QTTFAAPFGBSMJT-MNOVXSKESA-N	1	3	200.326	0.879	10	70		BCIEHO
CCC[C@@H](O)CN[C@@H]1CCC[NH2+]CC1	ZINC000217735307	134250686	/nfs/dbraw/zinc/25/06/86/134250686.db2.gz	QTTFAAPFGBSMJT-GHMZBOCLSA-N	1	3	200.326	0.879	10	70		BCIEHO
C[C@H](CNC(=O)C[C@H](C)[NH3+])N1CCCC1	ZINC000161043946	487473680	/nfs/dbraw/zinc/47/36/80/487473680.db2.gz	BBEMHXGUNRXHDE-VHSXEESVSA-N	1	3	213.325	0.324	10	70		BCIEHO
CCC[C@@H](O)CN[C@H]1CCC[NH2+]CC1	ZINC000217735443	134250580	/nfs/dbraw/zinc/25/05/80/134250580.db2.gz	QTTFAAPFGBSMJT-WDEREUQCSA-N	1	3	200.326	0.879	10	70		BCIEHO
C[NH2+][C@H](C)C(=O)NC[C@H](C)N1CCCC1	ZINC000161068997	343204278	/nfs/dbraw/zinc/20/42/78/343204278.db2.gz	QQJRGWGLMJIHPD-VHSXEESVSA-N	1	3	213.325	0.195	10	70		BCIEHO