smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1	ZINC000217774653	544490799	/nfs/dbraw/zinc/49/07/99/544490799.db2.gz	IGQIVOVEKWGJGN-GXSJLCMTSA-N	2	2	295.305	-0.025	10	70		CBIELP
C[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1	ZINC000217774653	544490802	/nfs/dbraw/zinc/49/08/02/544490802.db2.gz	IGQIVOVEKWGJGN-GXSJLCMTSA-N	2	2	295.305	-0.025	10	70		CBIELP
CC[C@@](C)(O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1	ZINC000160550802	287393629	/nfs/dbraw/zinc/39/36/29/287393629.db2.gz	MBHXDCITEJHASL-CYBMUJFWSA-N	2	2	257.378	-0.147	10	70		CBIELP
CCC[C@H](C(=O)N1CC[NH+](CCO)CC1)[NH+](C)C	ZINC000161493765	351975045	/nfs/dbraw/zinc/97/50/45/351975045.db2.gz	SDUQEWQGDZRJOB-GFCCVEGCSA-N	2	2	257.378	-0.147	10	70		CBIELP
C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1	ZINC000217774743	544489652	/nfs/dbraw/zinc/48/96/52/544489652.db2.gz	IGQIVOVEKWGJGN-MWLCHTKSSA-N	2	2	295.305	-0.025	10	70		CBIELP
C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1	ZINC000217774743	544489654	/nfs/dbraw/zinc/48/96/54/544489654.db2.gz	IGQIVOVEKWGJGN-MWLCHTKSSA-N	2	2	295.305	-0.025	10	70		CBIELP
C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1	ZINC000217773678	582128059	/nfs/dbraw/zinc/12/80/59/582128059.db2.gz	FWOOBHZUPSRBSP-UTUOFQBUSA-N	2	2	255.362	-0.049	10	70		CBIELP
C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1	ZINC000217773678	582128060	/nfs/dbraw/zinc/12/80/60/582128060.db2.gz	FWOOBHZUPSRBSP-UTUOFQBUSA-N	2	2	255.362	-0.049	10	70		CBIELP
CCC[C@@H](C(=O)N1CC[NH+](CCO)CC1)[NH+](C)C	ZINC000161493665	351974747	/nfs/dbraw/zinc/97/47/47/351974747.db2.gz	SDUQEWQGDZRJOB-LBPRGKRZSA-N	2	2	257.378	-0.147	10	70		CBIELP
CC[C@](C)(O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1	ZINC000160550676	372816960	/nfs/dbraw/zinc/81/69/60/372816960.db2.gz	MBHXDCITEJHASL-ZDUSSCGKSA-N	2	2	257.378	-0.147	10	70		CBIELP