smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)cc(Br)c1[O-]	ZINC001461669513	1126195638	/nfs/dbraw/zinc/19/56/38/1126195638.db2.gz	FGKKENCJIWOWLT-QGZVFWFLSA-N	0	0	447.142	4.140	20	10		IICDRN
[O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1	ZINC001474208691	1126202463	/nfs/dbraw/zinc/20/24/63/1126202463.db2.gz	NCWNPTIMHZVBBO-SFHVURJKSA-N	0	0	431.157	4.471	20	10		IICDRN
Cc1cc(Br)c([O-])c(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c1	ZINC001560548254	1126212155	/nfs/dbraw/zinc/21/21/55/1126212155.db2.gz	HYXZTZXVSAVBGZ-SFHVURJKSA-N	0	0	443.179	4.309	20	10		IICDRN
Cc1cc(Br)c([O-])c(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c1	ZINC001560548253	1126212256	/nfs/dbraw/zinc/21/22/56/1126212256.db2.gz	HYXZTZXVSAVBGZ-GOSISDBHSA-N	0	0	443.179	4.309	20	10		IICDRN
C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)cc(Br)c1[O-]	ZINC001461669508	1126195604	/nfs/dbraw/zinc/19/56/04/1126195604.db2.gz	FGKKENCJIWOWLT-KRWDZBQOSA-N	0	0	447.142	4.140	20	10		IICDRN
CC(=O)c1cc(Cl)cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c1[O-]	ZINC001308117136	1126163334	/nfs/dbraw/zinc/16/33/34/1126163334.db2.gz	HPSSGXRCSVQNOU-IBGZPJMESA-N	0	0	426.738	4.094	20	10		IICDRN
[O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC001473999446	1126201180	/nfs/dbraw/zinc/20/11/80/1126201180.db2.gz	PSKPTRAHRWHFDI-ZBFHGGJFSA-N	0	0	438.671	4.432	20	10		IICDRN
[O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC001473999445	1126201153	/nfs/dbraw/zinc/20/11/53/1126201153.db2.gz	PSKPTRAHRWHFDI-HOCLYGCPSA-N	0	0	438.671	4.432	20	10		IICDRN
CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])cc1	ZINC000756359816	1126107479	/nfs/dbraw/zinc/10/74/79/1126107479.db2.gz	FWNTYACZYXZXCA-HSZRJFAPSA-N	0	0	432.520	4.227	20	10		IICDRN
CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])cc1	ZINC000756359818	1126107489	/nfs/dbraw/zinc/10/74/89/1126107489.db2.gz	FWNTYACZYXZXCA-QHCPKHFHSA-N	0	0	432.520	4.227	20	10		IICDRN
CC(=O)c1cc(Cl)cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c1[O-]	ZINC001308117137	1126163422	/nfs/dbraw/zinc/16/34/22/1126163422.db2.gz	HPSSGXRCSVQNOU-LJQANCHMSA-N	0	0	426.738	4.094	20	10		IICDRN
[O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC001473999442	1126201096	/nfs/dbraw/zinc/20/10/96/1126201096.db2.gz	PSKPTRAHRWHFDI-GDBMZVCRSA-N	0	0	438.671	4.432	20	10		IICDRN
[O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1	ZINC001474208690	1126202576	/nfs/dbraw/zinc/20/25/76/1126202576.db2.gz	NCWNPTIMHZVBBO-GOSISDBHSA-N	0	0	431.157	4.471	20	10		IICDRN
CCn1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c(=O)c2ccc(C)nc21	ZINC000003366409	562934938	/nfs/dbraw/zinc/93/49/38/562934938.db2.gz	LCDXKYJRDPAZMG-UHFFFAOYSA-N	0	0	443.503	4.172	20	10		IICDRN
[O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC001473999444	1126201265	/nfs/dbraw/zinc/20/12/65/1126201265.db2.gz	PSKPTRAHRWHFDI-GOEBONIOSA-N	0	0	438.671	4.432	20	10		IICDRN