smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ccc(C[NH2+][C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1F	ZINC000756384504	1126108466	/nfs/dbraw/zinc/10/84/66/1126108466.db2.gz	ASMMYBUHRHKHET-AWEZNQCLSA-N	0	0	402.392	3.130	20	10		HGCDRN
CCN(CC)c1ccc(C[NH2+][C@@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])cc1F	ZINC000756390483	1126108882	/nfs/dbraw/zinc/10/88/82/1126108882.db2.gz	UZAOXWFSTAWBGM-FQEVSTJZSA-N	0	0	411.481	3.038	20	10		HGCDRN
O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1	ZINC001326323976	1126173197	/nfs/dbraw/zinc/17/31/97/1126173197.db2.gz	RJKLAQPAWBMBJE-GOSISDBHSA-N	0	0	424.419	3.049	20	10		HGCDRN
O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1	ZINC001560532665	1126211856	/nfs/dbraw/zinc/21/18/56/1126211856.db2.gz	QURALXTWOZCPIY-GOSISDBHSA-N	0	0	407.264	3.073	20	10		HGCDRN
O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(N2CCCCC2)cc1	ZINC000756386648	1126108633	/nfs/dbraw/zinc/10/86/33/1126108633.db2.gz	HZCXVLRXHRUUSI-JOCHJYFZSA-N	0	0	405.502	3.043	20	10		HGCDRN
O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1	ZINC001560532666	1126211751	/nfs/dbraw/zinc/21/17/51/1126211751.db2.gz	QURALXTWOZCPIY-SFHVURJKSA-N	0	0	407.264	3.073	20	10		HGCDRN
CCN(CC)c1ccc(C[NH2+][C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1F	ZINC000756384505	1126108462	/nfs/dbraw/zinc/10/84/62/1126108462.db2.gz	ASMMYBUHRHKHET-CQSZACIVSA-N	0	0	402.392	3.130	20	10		HGCDRN
O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1	ZINC001326323977	1126173243	/nfs/dbraw/zinc/17/32/43/1126173243.db2.gz	RJKLAQPAWBMBJE-SFHVURJKSA-N	0	0	424.419	3.049	20	10		HGCDRN
O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(N2CCCCC2)cc1	ZINC000756386649	1126108590	/nfs/dbraw/zinc/10/85/90/1126108590.db2.gz	HZCXVLRXHRUUSI-QFIPXVFZSA-N	0	0	405.502	3.043	20	10		HGCDRN
O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(N2CCOCC2)cc1	ZINC000756379345	1126107838	/nfs/dbraw/zinc/10/78/38/1126107838.db2.gz	ALRBQFDMDMZJSQ-LJQANCHMSA-N	0	0	419.319	3.071	20	10		HGCDRN
CCN(CC)c1ccc(C[NH2+][C@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])cc1F	ZINC000756390487	1126108764	/nfs/dbraw/zinc/10/87/64/1126108764.db2.gz	UZAOXWFSTAWBGM-HXUWFJFHSA-N	0	0	411.481	3.038	20	10		HGCDRN
O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(N2CCOCC2)cc1	ZINC000756379344	1126107823	/nfs/dbraw/zinc/10/78/23/1126107823.db2.gz	ALRBQFDMDMZJSQ-IBGZPJMESA-N	0	0	419.319	3.071	20	10		HGCDRN