smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1N1C(=O)/C(=C/c2ccc([O-])c(Cl)c2)C(=O)[N-]C1=S	ZINC000004739253	204072385	/nfs/dbraw/zinc/07/23/85/204072385.db2.gz	HBPLTCWYKOASTA-DHZHZOJOSA-N	-2	3	388.832	2.886	50	10		GFCAHL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc2c(c1)C(=O)[N-]C2=O	ZINC000101125073	570815827	/nfs/dbraw/zinc/81/58/27/570815827.db2.gz	PPCBRJAMBBVCOY-CXUHLZMHSA-N	-2	3	380.791	2.942	50	10		GFCAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(NC(C)=O)c2)cc1OCC	ZINC000012536215	570836233	/nfs/dbraw/zinc/83/62/33/570836233.db2.gz	PCNIIXUXZKQHQB-UHFFFAOYSA-N	-2	3	394.449	2.949	50	10		GFCAHL
CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1	ZINC000095939638	208240507	/nfs/dbraw/zinc/24/05/07/208240507.db2.gz	JOEMEHKOAGNQDY-UHFFFAOYSA-N	-2	3	375.381	2.720	50	10		GFCAHL
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc[nH]c1=O	ZINC000085875490	570262886	/nfs/dbraw/zinc/26/28/86/570262886.db2.gz	XRDUIPMBHJBVSZ-UHFFFAOYSA-N	-2	3	392.371	2.971	50	10		GFCAHL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc(Cl)c1[O-]	ZINC000012868126	570725739	/nfs/dbraw/zinc/72/57/39/570725739.db2.gz	ZPVIXJXRGAIQCQ-KPKJPENVSA-N	-2	3	378.812	2.849	50	10		GFCAHL
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[N-]c3ccc([O-])cc3)ccc21	ZINC000004147409	570359822	/nfs/dbraw/zinc/35/98/22/570359822.db2.gz	CQXWZOXSWDZDPK-UHFFFAOYSA-N	-2	3	379.393	2.968	50	10		GFCAHL
CCc1cc(C(=O)COc2ccccc2)c([O-])c(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c1[O-]	ZINC000005092957	570541147	/nfs/dbraw/zinc/54/11/47/570541147.db2.gz	MLXYYCAWSWRSNG-GOSISDBHSA-N	-2	3	399.443	2.971	50	10		GFCAHL
CCc1cc(C(=O)COc2ccccc2)c([O-])c(C[N@H+]2CCC[C@@H]2C(=O)[O-])c1[O-]	ZINC000005092957	570541148	/nfs/dbraw/zinc/54/11/48/570541148.db2.gz	MLXYYCAWSWRSNG-GOSISDBHSA-N	-2	3	399.443	2.971	50	10		GFCAHL
COc1ccccc1N1C(=O)/C(=C\c2ccc([O-])c(Cl)c2)C(=O)[N-]C1=S	ZINC000009323208	570555043	/nfs/dbraw/zinc/55/50/43/570555043.db2.gz	HBPLTCWYKOASTA-FLIBITNWSA-N	-2	3	388.832	2.886	50	10		GFCAHL
COc1ccc(N2C(=O)/C(=C\c3ccc([O-])c(Cl)c3)C(=O)[N-]C2=S)cc1	ZINC000004456497	570375612	/nfs/dbraw/zinc/37/56/12/570375612.db2.gz	IDLULTIPJUYYDX-JYRVWZFOSA-N	-2	3	388.832	2.886	50	10		GFCAHL
COC(=O)c1cccc(S(=O)(=O)[N-]c2c(F)c(F)c([O-])c(F)c2F)c1	ZINC000089406955	211179605	/nfs/dbraw/zinc/17/96/05/211179605.db2.gz	GGIAPRLBCNHYAJ-UHFFFAOYSA-N	-2	3	379.287	2.536	50	10		GFCAHL
CCc1cc(C(=O)COc2ccccc2)c([O-])c(C[N@@H+]2CCC[C@H]2C(=O)[O-])c1[O-]	ZINC000005092958	570541175	/nfs/dbraw/zinc/54/11/75/570541175.db2.gz	MLXYYCAWSWRSNG-SFHVURJKSA-N	-2	3	399.443	2.971	50	10		GFCAHL
CCc1cc(C(=O)COc2ccccc2)c([O-])c(C[N@H+]2CCC[C@H]2C(=O)[O-])c1[O-]	ZINC000005092958	570541178	/nfs/dbraw/zinc/54/11/78/570541178.db2.gz	MLXYYCAWSWRSNG-SFHVURJKSA-N	-2	3	399.443	2.971	50	10		GFCAHL
CC(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2Br)ccc1[O-]	ZINC000012536037	570835742	/nfs/dbraw/zinc/83/57/42/570835742.db2.gz	KCDZJZVQFLRFRO-UHFFFAOYSA-N	-2	3	385.239	2.914	50	10		GFCAHL
CC(=O)[N-]C1=NC(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)S1	ZINC000013809777	570791103	/nfs/dbraw/zinc/79/11/03/570791103.db2.gz	UNSGQWFLWHHHQO-SXGWCWSVSA-N	-2	3	383.429	2.899	50	10		GFCAHL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1[O-]	ZINC000015012496	570871466	/nfs/dbraw/zinc/87/14/66/570871466.db2.gz	YLIRPLGRANZEAB-SDQBBNPISA-N	-2	3	390.754	2.860	50	10		GFCAHL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1[O-]	ZINC000004703305	570854229	/nfs/dbraw/zinc/85/42/29/570854229.db2.gz	YLIRPLGRANZEAB-WUXMJOGZSA-N	-2	3	390.754	2.860	50	10		GFCAHL
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1[O-]	ZINC000013577248	551109031	/nfs/dbraw/zinc/10/90/31/551109031.db2.gz	YRKSIFGJBITLBC-GHXNOFRVSA-N	-2	3	389.205	2.625	50	10		GFCAHL
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3cc(Cl)ccc3[O-])C2=O)cc1	ZINC000334162931	206255238	/nfs/dbraw/zinc/25/52/38/206255238.db2.gz	HGZNVBXEHBXFAU-XNTDXEJSSA-N	-2	3	386.791	2.684	50	10		GFCAHL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1[O-]	ZINC000001178817	206363548	/nfs/dbraw/zinc/36/35/48/206363548.db2.gz	JVSZNAUEZXDRLL-POHAHGRESA-N	-2	3	390.754	2.860	50	10		GFCAHL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc(Cl)c1[O-]	ZINC000015013894	210143298	/nfs/dbraw/zinc/14/32/98/210143298.db2.gz	ZPVIXJXRGAIQCQ-GHXNOFRVSA-N	-2	3	378.812	2.849	50	10		GFCAHL
COc1ccc(N2C(=O)/C(=C/c3ccc([O-])c(Cl)c3)C(=O)[N-]C2=S)cc1	ZINC000001181827	536657068	/nfs/dbraw/zinc/65/70/68/536657068.db2.gz	IDLULTIPJUYYDX-MDWZMJQESA-N	-2	3	388.832	2.886	50	10		GFCAHL
Cn1c2ccc(S(=O)(=O)[N-]c3ccc([O-])c4ccccc34)cc2n(C)c1=O	ZINC000005013519	570396054	/nfs/dbraw/zinc/39/60/54/570396054.db2.gz	NAHMHVUYJXSEOA-UHFFFAOYSA-N	-2	3	383.429	2.537	50	10		GFCAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1OCC	ZINC000013464164	221269111	/nfs/dbraw/zinc/26/91/11/221269111.db2.gz	VMGWHTCYUMKNNU-UHFFFAOYSA-N	-2	3	381.406	2.689	50	10		GFCAHL
COC(=O)c1c(C)sc(-c2c(-c3ccccc3)nc3[nH]c(=O)[nH]c([O-])c2-3)c1[O-]	ZINC000006667788	570527233	/nfs/dbraw/zinc/52/72/33/570527233.db2.gz	RNBURRIGTRAAMC-UHFFFAOYSA-N	-2	3	397.412	2.741	50	10		GFCAHL
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1[O-]	ZINC000017299773	221382360	/nfs/dbraw/zinc/38/23/60/221382360.db2.gz	AFZOKVHVTRDPGK-GHXNOFRVSA-N	-2	3	388.832	2.886	50	10		GFCAHL