smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])Nc1ccccc1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	ZINC000740044984	978665086	/nfs/dbraw/zinc/66/50/86/978665086.db2.gz	DZRSJNZXCAPYBL-UHFFFAOYSA-N	-1	2	395.371	3.023	20	50		GGGDLM
CCc1cc(C(=O)[O-])ccc1NC(=O)NNC(=O)c1cc(-c2ccccc2)on1	ZINC001597458092	987879330	/nfs/dbraw/zinc/87/93/30/987879330.db2.gz	BXIHAWGMUPTONV-UHFFFAOYSA-N	-1	2	394.387	3.069	20	50		GGGDLM
CCc1cc(C(=O)[O-])ccc1NC(=O)NNC(=O)c1nc2ccccc2s1	ZINC001597460007	987888568	/nfs/dbraw/zinc/88/85/68/987888568.db2.gz	QZEFFPDGFCUYSV-UHFFFAOYSA-N	-1	2	384.417	3.023	20	50		GGGDLM
N#CC(=Cc1ccc(O)c(Br)c1)C(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000826379636	1446565344	/nfs/dbraw/zinc/56/53/44/1446565344.db2.gz	XQORUWKSXVNNQP-AWNIVKPZSA-N	-1	2	396.204	3.125	20	50		GGGDLM
N#CC(=Cc1ccc(O)c(Br)c1)C(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000826379636	1446565347	/nfs/dbraw/zinc/56/53/47/1446565347.db2.gz	XQORUWKSXVNNQP-AWNIVKPZSA-N	-1	2	396.204	3.125	20	50		GGGDLM
CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1O	ZINC000735446608	1447148390	/nfs/dbraw/zinc/14/83/90/1447148390.db2.gz	BPAPAWWAGFJDBU-UHFFFAOYSA-N	-1	2	391.218	3.033	20	50		GGGDLM
O=C([O-])Nc1cccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1	ZINC000740032478	978663716	/nfs/dbraw/zinc/66/37/16/978663716.db2.gz	AGFHMKHSWZNDBK-UHFFFAOYSA-N	-1	2	395.371	3.023	20	50		GGGDLM
CCCc1c(C(=O)NNc2nc(C(F)(F)F)cs2)[nH]c(C)c1C(=O)[O-]	ZINC000829556346	601799164	/nfs/dbraw/zinc/79/91/64/601799164.db2.gz	MNTZGEFZGVAXGM-UHFFFAOYSA-N	-1	2	376.360	3.206	20	50		GGGDLM
CCCc1c(C(=O)NN=c2[nH]c(C(F)(F)F)cs2)[nH]c(C)c1C(=O)[O-]	ZINC000829556346	601799166	/nfs/dbraw/zinc/79/91/66/601799166.db2.gz	MNTZGEFZGVAXGM-UHFFFAOYSA-N	-1	2	376.360	3.206	20	50		GGGDLM
CC(OC(=O)C12CCC(CC1Br)C2)c1ccc(-c2nn[n-]n2)cc1	ZINC000824715943	1449937027	/nfs/dbraw/zinc/93/70/27/1449937027.db2.gz	VLEAXRPQCPEHGB-KOZDUTSQSA-N	-1	2	391.269	3.425	20	50		GGGDLM
O=C([O-])c1cc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)ccn1	ZINC001594780502	953626165	/nfs/dbraw/zinc/62/61/65/953626165.db2.gz	SSYZZMFNMBXEQU-UHFFFAOYSA-N	-1	2	390.808	3.114	20	50		GGGDLM
CC(C)Cn1cc(C(=O)NNc2ccc(-c3nnn[n-]3)cc2)c2ccccc21	ZINC000824280251	1441452830	/nfs/dbraw/zinc/45/28/30/1441452830.db2.gz	HZFXMFPYUGXCTF-UHFFFAOYSA-N	-1	2	375.436	3.234	20	50		GGGDLM
CC(C)Cn1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c2ccccc21	ZINC000824280251	1441452831	/nfs/dbraw/zinc/45/28/31/1441452831.db2.gz	HZFXMFPYUGXCTF-UHFFFAOYSA-N	-1	2	375.436	3.234	20	50		GGGDLM
O=C([O-])c1cncc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)c1	ZINC001605815510	972543161	/nfs/dbraw/zinc/54/31/61/972543161.db2.gz	MQCJDSLLUBYWDI-UHFFFAOYSA-N	-1	2	390.808	3.114	20	50		GGGDLM
O=C([O-])CCCc1csc(NS(=O)(=O)c2ccc(CCCl)cc2)n1	ZINC000833230133	601771382	/nfs/dbraw/zinc/77/13/82/601771382.db2.gz	ZRASLLKZLSOKAB-UHFFFAOYSA-N	-1	2	388.898	3.133	20	50		GGGDLM
CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1O	ZINC000735447120	1450314314	/nfs/dbraw/zinc/31/43/14/1450314314.db2.gz	JCJVCLSFJQFFBS-UHFFFAOYSA-N	-1	2	391.218	3.033	20	50		GGGDLM