smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1C	ZINC000000061199	567817356	/nfs/dbraw/zinc/81/73/56/567817356.db2.gz	VDJZSQJJVMQYGP-QGMBQPNBSA-N	0	1	294.181	5.066	50	30		CKEAMN
Cc1cc(C)cc(/N=C/c2cc(Cl)cc(Cl)c2O)c1	ZINC000000098382	567818284	/nfs/dbraw/zinc/81/82/84/567818284.db2.gz	MPRCPMNECOCXIH-QGMBQPNBSA-N	0	1	294.181	5.066	50	30		CKEAMN
Cc1ccc(C)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1	ZINC000000100953	567818154	/nfs/dbraw/zinc/81/81/54/567818154.db2.gz	TYGHLLWZHJZDFZ-QGMBQPNBSA-N	0	1	294.181	5.066	50	30		CKEAMN
C(=N/[C@@H](Cc1ccccc1)c1ccccc1)\c1ccccc1	ZINC000003091628	566913784	/nfs/dbraw/zinc/91/37/84/566913784.db2.gz	WAQPARVQLMVFPO-LXDMNWQESA-N	0	1	285.390	5.090	50	30		CKEAMN
C(=N/[C@H](Cc1ccccc1)c1ccccc1)\c1ccccc1	ZINC000003091630	566915331	/nfs/dbraw/zinc/91/53/31/566915331.db2.gz	WAQPARVQLMVFPO-KXZIGNATSA-N	0	1	285.390	5.090	50	30		CKEAMN
Oc1c(Cl)cc(Cl)cc1/C=N\CCC1=CCCCC1	ZINC000004600170	570235367	/nfs/dbraw/zinc/23/53/67/570235367.db2.gz	PKGNZBQDCOFNOE-ZDLGFXPLSA-N	0	1	298.213	5.008	50	30		CKEAMN
Cc1ccc(/N=C\Nc2ccc(C)c(Cl)c2)cc1Cl	ZINC000004610415	567058930	/nfs/dbraw/zinc/05/89/30/567058930.db2.gz	UORURGKZZCXFJN-UHFFFAOYSA-N	0	1	293.197	5.382	50	30		CKEAMN
Cc1ccc(NC=Nc2ccc(Cl)c(C)c2)cc1Cl	ZINC000004984975	170048922	/nfs/dbraw/zinc/04/89/22/170048922.db2.gz	WCTCFDXETRSRIQ-UHFFFAOYSA-N	0	1	293.197	5.382	50	30		CKEAMN
Cc1ccc(N=CC=CNc2ccc(C)cc2C)c(C)c1	ZINC000005337139	170087022	/nfs/dbraw/zinc/08/70/22/170087022.db2.gz	BDFYGAYWWNAQCT-YKNXMEGYSA-N	0	1	278.399	5.248	50	30		CKEAMN
C=CCCCCCCCCc1n[nH]c(SCCCC)n1	ZINC000006783246	170242796	/nfs/dbraw/zinc/24/27/96/170242796.db2.gz	JMJGWXLSUCLTHL-UHFFFAOYSA-N	0	1	295.496	5.156	50	30		CKEAMN
C=CCCCCCCCCc1nnc(SCCCC)[nH]1	ZINC000006783246	170242795	/nfs/dbraw/zinc/24/27/95/170242795.db2.gz	JMJGWXLSUCLTHL-UHFFFAOYSA-N	0	1	295.496	5.156	50	30		CKEAMN
C(=N/c1ccc2ccccc2c1)\Nc1ccc2ccccc2c1	ZINC000017120151	567874919	/nfs/dbraw/zinc/87/49/19/567874919.db2.gz	MITZONZIVMJISG-UHFFFAOYSA-N	0	1	296.373	5.765	50	30		CKEAMN
CCc1ccccc1/N=C/c1cc(Cl)cc(Cl)c1O	ZINC000086040450	179221933	/nfs/dbraw/zinc/22/19/33/179221933.db2.gz	XCWOPFZKNYAETK-GIJQJNRQSA-N	0	1	294.181	5.012	50	30		CKEAMN
CCc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1	ZINC000086040951	179222276	/nfs/dbraw/zinc/22/22/76/179222276.db2.gz	FYVWUTIWRXLBLX-GIJQJNRQSA-N	0	1	294.181	5.012	50	30		CKEAMN
Oc1c(Cl)cc(Cl)cc1/C=N/CCC1=CCCCC1	ZINC000096316625	567910094	/nfs/dbraw/zinc/91/00/94/567910094.db2.gz	PKGNZBQDCOFNOE-VCHYOVAHSA-N	0	1	298.213	5.008	50	30		CKEAMN
Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)c(C)c1	ZINC000100033263	567911718	/nfs/dbraw/zinc/91/17/18/567911718.db2.gz	VENOCYFXAFJXGK-QGMBQPNBSA-N	0	1	294.181	5.066	50	30		CKEAMN
Cc1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1C	ZINC000100145895	567912328	/nfs/dbraw/zinc/91/23/28/567912328.db2.gz	ZOEKUYMUAYDLHQ-QGMBQPNBSA-N	0	1	294.181	5.066	50	30		CKEAMN
Cc1ccc(C)c(N=Cc2cc(Cl)cc(Cl)c2O)c1	ZINC000252462533	567051294	/nfs/dbraw/zinc/05/12/94/567051294.db2.gz	TYGHLLWZHJZDFZ-UHFFFAOYSA-N	0	1	294.181	5.066	50	30		CKEAMN