smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C=NNC2=NC(=O)C(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])S2)cc1	ZINC000021658713	523444742	/nfs/dbraw/zinc/44/47/42/523444742.db2.gz	BDUAUQGXFWSEAR-XBWYWLENSA-N	-1	2	454.508	1.819	50	30		JDEALM
COc1ccc(C=NNC2=NC(=O)[C@@H](CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])S2)cc1	ZINC000021658713	523444747	/nfs/dbraw/zinc/44/47/47/523444747.db2.gz	BDUAUQGXFWSEAR-XBWYWLENSA-N	-1	2	454.508	1.819	50	30		JDEALM
Cc1c2ccc(Br)c(O)c2c(O)c2c1C[C@H]1CC([O-])=C(C(N)=O)C(=O)[C@]1(O)C2=O	ZINC000071769627	569697748	/nfs/dbraw/zinc/69/77/48/569697748.db2.gz	CZEHDMVXMZUTHC-SVWIBVJCSA-N	-1	2	462.252	1.678	50	30		JDEALM
Cc1c2ccc(Br)c(O)c2c(O)c2c1C[C@H]1CC(=O)C(C(N)=O)=C([O-])[C@]1(O)C2=O	ZINC000071769627	569697747	/nfs/dbraw/zinc/69/77/47/569697747.db2.gz	CZEHDMVXMZUTHC-SVWIBVJCSA-N	-1	2	462.252	1.678	50	30		JDEALM
C#CCn1c(=O)c2c(nc(/C=C/c3cccc(OC)c3)n2C)n(CCCO[P@@](=O)([O-])O)c1=O	ZINC000003838320	194362198	/nfs/dbraw/zinc/36/21/98/194362198.db2.gz	DUCGTTGSVYZHJS-MDZDMXLPSA-N	-1	2	474.410	1.208	50	30	in-vivo	JDEALM
C#CCn1c(=O)c2c(nc(/C=C/c3cccc(OC)c3)n2C)n(CCCO[P@](=O)([O-])O)c1=O	ZINC000003838320	194362199	/nfs/dbraw/zinc/36/21/99/194362199.db2.gz	DUCGTTGSVYZHJS-MDZDMXLPSA-N	-1	2	474.410	1.208	50	30	in-vivo	JDEALM
Cc1c2ccc(Br)c(O)c2c(O)c2c1C[C@@H]1CC(=O)C(C(N)=O)=C([O-])[C@@]1(O)C2=O	ZINC000071769629	569697811	/nfs/dbraw/zinc/69/78/11/569697811.db2.gz	CZEHDMVXMZUTHC-GLEHDBDLSA-N	-1	2	462.252	1.678	50	30		JDEALM
Cc1c2ccc(Br)c(O)c2c(O)c2c1C[C@@H]1CC([O-])=C(C(N)=O)C(=O)[C@@]1(O)C2=O	ZINC000071769629	569697812	/nfs/dbraw/zinc/69/78/12/569697812.db2.gz	CZEHDMVXMZUTHC-GLEHDBDLSA-N	-1	2	462.252	1.678	50	30		JDEALM
COc1ccc(C=NNC2=NC(=O)C(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])S2)cc1	ZINC000021658709	523442821	/nfs/dbraw/zinc/44/28/21/523442821.db2.gz	BDUAUQGXFWSEAR-PMOGBOBBSA-N	-1	2	454.508	1.819	50	30		JDEALM
COc1ccc(C=NNC2=NC(=O)[C@@H](CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])S2)cc1	ZINC000021658709	523442839	/nfs/dbraw/zinc/44/28/39/523442839.db2.gz	BDUAUQGXFWSEAR-PMOGBOBBSA-N	-1	2	454.508	1.819	50	30		JDEALM
Cc1c2ccc(Br)c(O)c2c(O)c2c1C[C@@H]1CC(=O)C(C(N)=O)=C([O-])[C@]1(O)C2=O	ZINC000071769625	569697777	/nfs/dbraw/zinc/69/77/77/569697777.db2.gz	CZEHDMVXMZUTHC-JLPJYYFKSA-N	-1	2	462.252	1.678	50	30		JDEALM
Cc1c2ccc(Br)c(O)c2c(O)c2c1C[C@@H]1CC([O-])=C(C(N)=O)C(=O)[C@]1(O)C2=O	ZINC000071769625	569697778	/nfs/dbraw/zinc/69/77/78/569697778.db2.gz	CZEHDMVXMZUTHC-JLPJYYFKSA-N	-1	2	462.252	1.678	50	30		JDEALM
Cc1c2ccc(Br)c(O)c2c(O)c2c1C[C@H]1CC(=O)C(C(N)=O)=C([O-])[C@@]1(O)C2=O	ZINC000071769630	569697817	/nfs/dbraw/zinc/69/78/17/569697817.db2.gz	CZEHDMVXMZUTHC-JKNYTWMOSA-N	-1	2	462.252	1.678	50	30		JDEALM
Cc1c2ccc(Br)c(O)c2c(O)c2c1C[C@H]1CC([O-])=C(C(N)=O)C(=O)[C@@]1(O)C2=O	ZINC000071769630	569697818	/nfs/dbraw/zinc/69/78/18/569697818.db2.gz	CZEHDMVXMZUTHC-JKNYTWMOSA-N	-1	2	462.252	1.678	50	30		JDEALM
COc1ccc(C=NNC2=NC(=O)C(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])S2)cc1	ZINC000021658715	523443283	/nfs/dbraw/zinc/44/32/83/523443283.db2.gz	BDUAUQGXFWSEAR-WKVCWDCFSA-N	-1	2	454.508	1.819	50	30		JDEALM
COc1ccc(C=NNC2=NC(=O)[C@H](CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])S2)cc1	ZINC000021658715	523443294	/nfs/dbraw/zinc/44/32/94/523443294.db2.gz	BDUAUQGXFWSEAR-WKVCWDCFSA-N	-1	2	454.508	1.819	50	30		JDEALM
O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(NC(=O)C2=CCC(=O)C=C2)C3=O)cc1	ZINC000334159003	570184466	/nfs/dbraw/zinc/18/44/66/570184466.db2.gz	XTDFWMBTJQAJNC-UHFFFAOYSA-N	-1	2	466.427	1.783	50	30		JDEALM
COc1ccc(C=NNC2=NC(=O)C(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])S2)cc1	ZINC000021658711	523444768	/nfs/dbraw/zinc/44/47/68/523444768.db2.gz	BDUAUQGXFWSEAR-SGASUCAWSA-N	-1	2	454.508	1.819	50	30		JDEALM
COc1ccc(C=NNC2=NC(=O)[C@H](CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])S2)cc1	ZINC000021658711	523444774	/nfs/dbraw/zinc/44/47/74/523444774.db2.gz	BDUAUQGXFWSEAR-SGASUCAWSA-N	-1	2	454.508	1.819	50	30		JDEALM