smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cc(-c2csc3ccc(C(=O)[O-])cc32)ccc1[O-]	ZINC000598948360	1127645684	/nfs/dbraw/zinc/64/56/84/1127645684.db2.gz	CPWUPEAFTXATBG-UHFFFAOYSA-N	-2	1	295.319	3.844	20	30		CHEDML
N#Cc1c([O-])csc1Nc1cc(F)c([O-])c(Cl)c1	ZINC001214482602	1120245682	/nfs/dbraw/zinc/24/56/82/1120245682.db2.gz	DEMQBDWUDRKGQJ-UHFFFAOYSA-N	-2	1	284.699	3.567	20	30		CHEDML
[O-]/N=C/c1cccc(-c2cc(Cl)c([O-])cc2F)c1	ZINC001245672765	1131123157	/nfs/dbraw/zinc/12/31/57/1131123157.db2.gz	ZYXQEBMDIWVYTR-FRKPEAEDSA-N	-2	1	265.671	3.660	20	30		CHEDML
O=C([O-])c1c(Cl)ccc(-c2cccc(/C=N/[O-])c2)c1F	ZINC001236163962	1130879043	/nfs/dbraw/zinc/87/90/43/1130879043.db2.gz	GQSJGIVBLJMRDB-REZTVBANSA-N	-2	1	293.681	3.652	20	30		CHEDML
C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)C1=CC=C[CH]1	ZINC001227120691	1135788546	/nfs/dbraw/zinc/78/85/46/1135788546.db2.gz	QNMMXUDCZUIDQF-ZDUSSCGKSA-N	-2	1	283.347	3.791	20	30		CHEDML
C[C@@H](O/C(=N\[O-])c1ccc(Cl)cc1)C1=CC=C[CH]1	ZINC001223593838	1121267864	/nfs/dbraw/zinc/26/78/64/1121267864.db2.gz	PJPITJYULBWXIY-UKNJIDDLSA-N	-2	1	262.716	3.581	20	30		CHEDML
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccc([O-])cc1	ZINC000794927979	1124084865	/nfs/dbraw/zinc/08/48/65/1124084865.db2.gz	UIXHCVPESLUVNA-YVMONPNESA-N	-2	1	296.322	3.603	20	30		CHEDML
O=C(/C=C\c1ccc([O-])c(Cl)c1)c1ccc([O-])c(F)c1	ZINC000255564049	1120379083	/nfs/dbraw/zinc/37/90/83/1120379083.db2.gz	ZXUVSJUVXWTYLY-RJRFIUFISA-N	-2	1	292.693	3.786	20	30		CHEDML
O=C(C=Cc1ccc([O-])c(Cl)c1)c1sccc1[O-]	ZINC000588495730	1120089368	/nfs/dbraw/zinc/08/93/68/1120089368.db2.gz	BTWDTJSJIRBHLD-RQOWECAXSA-N	-2	1	280.732	3.709	20	30		CHEDML
Cc1c(Cl)c(-c2ccccc2C=N[O-])ccc1C(=O)[O-]	ZINC001236128750	1130871210	/nfs/dbraw/zinc/87/12/10/1130871210.db2.gz	NNCFOXHGSXGTRL-UHFFFAOYSA-N	-2	1	289.718	3.822	20	30		CHEDML
C=CCc1c([O-])ccc(C(C)=O)c1O[C@H](C)C1=CC=C[CH]1	ZINC001227120687	1135788629	/nfs/dbraw/zinc/78/86/29/1135788629.db2.gz	QNMMXUDCZUIDQF-CYBMUJFWSA-N	-2	1	283.347	3.791	20	30		CHEDML
O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccc([O-])c(F)c1	ZINC000170851787	1128740698	/nfs/dbraw/zinc/74/06/98/1128740698.db2.gz	ZXUVSJUVXWTYLY-DAFODLJHSA-N	-2	1	292.693	3.786	20	30		CHEDML
N#Cc1cc(Nc2ccc(Cl)cc2O)c(O)cc1F	ZINC001214411802	1118410746	/nfs/dbraw/zinc/41/07/46/1118410746.db2.gz	OBGYMYJBTOKJIM-UHFFFAOYSA-N	-2	1	278.670	3.506	20	30		CHEDML
C/C(=N\[O-])c1ccc(-c2c(F)cc(C(=O)[O-])cc2F)cc1	ZINC001222425277	1135240796	/nfs/dbraw/zinc/24/07/96/1135240796.db2.gz	ZOASTHXBAOSJLO-QGMBQPNBSA-N	-2	1	291.253	3.528	20	30		CHEDML
C[C@H](O/C(=N\[O-])c1ccc(Cl)cc1)C1=CC=C[CH]1	ZINC001223593836	1121267029	/nfs/dbraw/zinc/26/70/29/1121267029.db2.gz	PJPITJYULBWXIY-MKPGZACHSA-N	-2	1	262.716	3.581	20	30		CHEDML
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccc([O-])cc1	ZINC000794927978	1124085512	/nfs/dbraw/zinc/08/55/12/1124085512.db2.gz	UIXHCVPESLUVNA-VMPITWQZSA-N	-2	1	296.322	3.603	20	30		CHEDML