smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc2ccccc2c1CNc1ccc(Br)cc1F	ZINC000019907976	212081737	/nfs/dbraw/zinc/08/17/37/212081737.db2.gz	BZTHTFPDHRXBGA-UHFFFAOYSA-N	-1	3	346.199	5.059	10	10		EKCEHM
CC[C@@H](Nc1ccccc1Cl)c1cc(Br)ccc1[O-]	ZINC000021055424	212203455	/nfs/dbraw/zinc/20/34/55/212203455.db2.gz	UCJYTDOUQGESCO-CYBMUJFWSA-N	-1	3	340.648	5.371	10	10		EKCEHM
CC[C@H](Nc1ccccc1Cl)c1cc(Br)ccc1[O-]	ZINC000021055428	212202862	/nfs/dbraw/zinc/20/28/62/212202862.db2.gz	UCJYTDOUQGESCO-ZDUSSCGKSA-N	-1	3	340.648	5.371	10	10		EKCEHM
[O-]c1ccc(Cl)cc1CNc1cc(Cl)c(Cl)cc1Cl	ZINC000021793966	212250101	/nfs/dbraw/zinc/25/01/01/212250101.db2.gz	GHHHCJFNEABZQL-UHFFFAOYSA-N	-1	3	337.033	5.618	10	10		EKCEHM
Cc1cc(NCc2c([O-])ccc3ccccc32)ccc1Br	ZINC000021812678	212253778	/nfs/dbraw/zinc/25/37/78/212253778.db2.gz	JTRJSPJDMQGAHW-UHFFFAOYSA-N	-1	3	342.236	5.228	10	10		EKCEHM
O=C([O-])/C=C/c1ccccc1Nc1c2ccccc2nc2ccccc21	ZINC000026841882	202149572	/nfs/dbraw/zinc/14/95/72/202149572.db2.gz	ZZQKIPRBBJSMCG-BUHFOSPRSA-N	-1	3	340.382	5.229	10	10		EKCEHM
O=C([O-])/C=C/c1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000026935438	202150070	/nfs/dbraw/zinc/15/00/70/202150070.db2.gz	LMVFFUJWDFBQPK-SDNWHVSQSA-N	-1	3	340.382	5.229	10	10		EKCEHM
C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccc(Cl)s1	ZINC000036992327	213128715	/nfs/dbraw/zinc/12/87/15/213128715.db2.gz	BDHZTDREPPROTQ-ZETCQYMHSA-N	-1	3	336.671	5.265	10	10		EKCEHM
C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccc(Cl)s1	ZINC000036992328	213128082	/nfs/dbraw/zinc/12/80/82/213128082.db2.gz	BDHZTDREPPROTQ-SSDOTTSWSA-N	-1	3	336.671	5.265	10	10		EKCEHM
[O-]c1ccc(Cl)cc1CNc1ccc(Br)cc1Cl	ZINC000037392243	213143617	/nfs/dbraw/zinc/14/36/17/213143617.db2.gz	NPBGAQCZHHNRCX-UHFFFAOYSA-N	-1	3	347.039	5.074	10	10		EKCEHM