smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21	ZINC000059267093	206102281	/nfs/dbraw/zinc/10/22/81/206102281.db2.gz	ZFLZNXTWCFTHTD-MDZRGWNJSA-N	-1	0	384.273	5.282	10	10		GKCERM
Cc1ccc(-c2ccccc2OCc2ccccc2)n1-c1cccc(C(=O)[O-])c1	ZINC000040566919	210867938	/nfs/dbraw/zinc/86/79/38/210867938.db2.gz	AGAPITQLTSHAJC-UHFFFAOYSA-N	-1	0	383.447	5.730	10	10		GKCERM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1cccc(C(F)(F)F)c1)N2	ZINC000004820883	220771154	/nfs/dbraw/zinc/77/11/54/220771154.db2.gz	QZZJFGFQSQOUKI-AHIWAGSCSA-N	-1	0	393.792	5.884	10	10		GKCERM
O=C([O-])c1ccc([C@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000059267097	205178216	/nfs/dbraw/zinc/17/82/16/205178216.db2.gz	ZCJHWSRABFUFPJ-AWRGLXIESA-N	-1	0	383.447	6.004	10	10		GKCERM
O=C1C=Cc2ccccc2C1=NNc1ccc2c(cccc2S(=O)(=O)[O-])c1	ZINC000006118206	570466762	/nfs/dbraw/zinc/46/67/62/570466762.db2.gz	HKIGZCGEMKUXMC-QURGRASLSA-N	-1	0	378.409	5.361	10	10		GKCERM
Cc1ccc(C(=O)[O-])c2c1N[C@@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21	ZINC000006965806	209712483	/nfs/dbraw/zinc/71/24/83/209712483.db2.gz	VAAVLZMNNFGARM-KHYOSLBOSA-N	-1	0	384.273	5.282	10	10		GKCERM
Cc1ccc(C(=O)[O-])c2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21	ZINC000006965763	206698035	/nfs/dbraw/zinc/69/80/35/206698035.db2.gz	VAAVLZMNNFGARM-DOXZYTNZSA-N	-1	0	384.273	5.282	10	10		GKCERM
O=C([O-])c1ccc([C@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000059267096	222055565	/nfs/dbraw/zinc/05/55/65/222055565.db2.gz	ZCJHWSRABFUFPJ-ZFGGDYGUSA-N	-1	0	383.447	6.004	10	10		GKCERM
CC(C)(C)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(=O)[O-])cc1	ZINC000020335045	204712887	/nfs/dbraw/zinc/71/28/87/204712887.db2.gz	QYVAABAXAKNCML-UHFFFAOYSA-N	-1	0	379.481	5.663	10	10		GKCERM
Cc1ccc(C(=O)[O-])c2c1N[C@@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21	ZINC000059267072	211949463	/nfs/dbraw/zinc/94/94/63/211949463.db2.gz	VAAVLZMNNFGARM-CLCXKQKWSA-N	-1	0	384.273	5.282	10	10		GKCERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)/C=C/c1ccc(Cl)cc1	ZINC000020335145	210329602	/nfs/dbraw/zinc/32/96/02/210329602.db2.gz	BAHYBCYCOONTBY-DHZHZOJOSA-N	-1	0	383.856	5.419	10	10		GKCERM
CCc1cc(N=Nc2c(O)ccc3ccccc32)c(S(=O)(=O)[O-])cc1Cl	ZINC000005956168	570462999	/nfs/dbraw/zinc/46/29/99/570462999.db2.gz	SXKUUTVDRYXLDW-QZQOTICOSA-N	-1	0	390.848	5.423	10	10		GKCERM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1cccc(C(F)(F)F)c1)N2	ZINC000004820884	204079664	/nfs/dbraw/zinc/07/96/64/204079664.db2.gz	QZZJFGFQSQOUKI-DCGLDWPTSA-N	-1	0	393.792	5.884	10	10		GKCERM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21	ZINC000015226220	210153554	/nfs/dbraw/zinc/15/35/54/210153554.db2.gz	ZFLZNXTWCFTHTD-BXWFABGCSA-N	-1	0	384.273	5.282	10	10		GKCERM
O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)c1c(F)cccc1Cl	ZINC000020335104	207188573	/nfs/dbraw/zinc/18/85/73/207188573.db2.gz	YMPYCZWUITZBER-UHFFFAOYSA-N	-1	0	375.808	5.158	10	10		GKCERM