smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+](C[C@H]3CN=C4c5ccccc5NC(=O)N43)CC2)cc1	ZINC000013832338	204515803	/nfs/dbraw/zinc/51/58/03/204515803.db2.gz	CSXULHKXIDZHEC-QGZVFWFLSA-N	1	1	391.475	2.494	1	10		GECFMO
COc1ccc(N2CC[NH+](C[C@@H]3CN=C4c5ccccc5NC(=O)N43)CC2)cc1	ZINC000013832337	210093623	/nfs/dbraw/zinc/09/36/23/210093623.db2.gz	CSXULHKXIDZHEC-KRWDZBQOSA-N	1	1	391.475	2.494	1	10		GECFMO
C[N@@H+]1CCc2cc(SC[C@@H]([NH3+])C(=O)[O-])cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000072109060	211070433	/nfs/dbraw/zinc/07/04/33/211070433.db2.gz	QCEAYDMNZTWNGV-HUUCEWRRSA-N	1	1	386.473	2.354	1	10		GECFMO
C[N@H+]1CCc2cc(SC[C@@H]([NH3+])C(=O)[O-])cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000072109060	211070436	/nfs/dbraw/zinc/07/04/36/211070436.db2.gz	QCEAYDMNZTWNGV-HUUCEWRRSA-N	1	1	386.473	2.354	1	10		GECFMO
CN(CC[NH+](C)C)c1cc2c(cn1)C(=O)C(=O)c1c-2nc2ccc(Cl)cn21	ZINC000096933181	211352569	/nfs/dbraw/zinc/35/25/69/211352569.db2.gz	JMCBGJZFJJSNMW-UHFFFAOYSA-N	1	1	383.839	2.427	1	10		GECFMO
C[N@@H+]1CCc2cc(SC[C@H]([NH3+])C(=O)[O-])cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000072105437	222206060	/nfs/dbraw/zinc/20/60/60/222206060.db2.gz	QCEAYDMNZTWNGV-LSDHHAIUSA-N	1	1	386.473	2.354	1	10		GECFMO
C[N@H+]1CCc2cc(SC[C@H]([NH3+])C(=O)[O-])cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000072105437	222206063	/nfs/dbraw/zinc/20/60/63/222206063.db2.gz	QCEAYDMNZTWNGV-LSDHHAIUSA-N	1	1	386.473	2.354	1	10		GECFMO