smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](C)c1ccccc1/N=C/c1cc(C)cc(Cl)c1[O-]	ZINC000000568753	563866056	/nfs/dbraw/zinc/86/60/56/563866056.db2.gz	OGJOKSWROMOTGF-AYPRBGQRSA-N	-1	1	301.817	5.618	40	30		DKEBMM
CC[C@H](C)c1ccccc1/N=C/c1cc(C)cc(Cl)c1[O-]	ZINC000000568755	563866305	/nfs/dbraw/zinc/86/63/05/563866305.db2.gz	OGJOKSWROMOTGF-HSWQHBDASA-N	-1	1	301.817	5.618	40	30		DKEBMM
CCCCCCCCCCC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000001663847	519981466	/nfs/dbraw/zinc/98/14/66/519981466.db2.gz	PVDYBQBCUNWZOB-UHFFFAOYSA-N	-1	1	314.425	5.409	40	30		DKEBMM
CC(C)CCC[C@@H](C)CCC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000006186888	181318322	/nfs/dbraw/zinc/31/83/22/181318322.db2.gz	AUEPTGRKQVFNMP-CQSZACIVSA-N	-1	1	314.425	5.120	40	30		DKEBMM
CC(C)CCC[C@H](C)CCC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000006186889	181318445	/nfs/dbraw/zinc/31/84/45/181318445.db2.gz	AUEPTGRKQVFNMP-AWEZNQCLSA-N	-1	1	314.425	5.120	40	30		DKEBMM
CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1[O-]	ZINC000006958830	563596142	/nfs/dbraw/zinc/59/61/42/563596142.db2.gz	ZJBPKSOLYXITDW-DJKKODMXSA-N	-1	1	324.207	5.157	40	30		DKEBMM
CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1[O-]	ZINC000006958838	563596179	/nfs/dbraw/zinc/59/61/79/563596179.db2.gz	JLWYEBNHZROZQQ-DJKKODMXSA-N	-1	1	324.207	5.157	40	30		DKEBMM
CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1[O-]	ZINC000006958859	563921721	/nfs/dbraw/zinc/92/17/21/563921721.db2.gz	IEXABLNHJFUXGA-DJKKODMXSA-N	-1	1	324.207	5.157	40	30		DKEBMM
CCCCCCCCCCC/C(=N\[O-])c1cc(OC)ccc1O	ZINC000100922064	563554269	/nfs/dbraw/zinc/55/42/69/563554269.db2.gz	RINYJKOREIMPSC-CZIZESTLSA-N	-1	1	321.461	5.500	40	30		DKEBMM
CCCCCCCCCCCCCC(=O)c1ccc([O-])cc1	ZINC000100922107	563554109	/nfs/dbraw/zinc/55/41/09/563554109.db2.gz	ODJVEVORUCLLIG-UHFFFAOYSA-N	-1	1	304.474	6.276	40	30		DKEBMM
CCCCCCCCCC[C@H]1Oc2ccc(C)cc2/C1=N/[O-]	ZINC000100931373	563554260	/nfs/dbraw/zinc/55/42/60/563554260.db2.gz	VVRUMXVGPNEDPX-PXBNPBHZSA-N	-1	1	303.446	5.465	40	30		DKEBMM
CCCCCCCCCC[C@@H]1Oc2ccc(C)cc2/C1=N/[O-]	ZINC000100931374	563554675	/nfs/dbraw/zinc/55/46/75/563554675.db2.gz	VVRUMXVGPNEDPX-ONNQFXDFSA-N	-1	1	303.446	5.465	40	30		DKEBMM
CCCCCCCCCc1ccc2c(C(C)=O)ccc([O-])c2n1	ZINC000100935821	563554771	/nfs/dbraw/zinc/55/47/71/563554771.db2.gz	JXCVNIRQKZOVTD-UHFFFAOYSA-N	-1	1	313.441	5.436	40	30		DKEBMM
CCCCCCCCC/C(=N\[O-])c1cc(OCC)ccc1O	ZINC000100954891	563554641	/nfs/dbraw/zinc/55/46/41/563554641.db2.gz	FGHGCOQXRPKTCB-HTXNQAPBSA-N	-1	1	307.434	5.110	40	30		DKEBMM
C=C(C)CSc1nc(C)c(CCCCCCCC)c(=O)[n-]1	ZINC000106190986	257218675	/nfs/dbraw/zinc/21/86/75/257218675.db2.gz	IVJPHOZRLVZALI-UHFFFAOYSA-N	-1	1	308.491	5.062	40	30		DKEBMM
Cc1cc(/C=N\c2ccc(Cl)cc2[O-])c(C)n1-c1ccccc1	ZINC000408787161	257226765	/nfs/dbraw/zinc/22/67/65/257226765.db2.gz	SPQJYCSSNNXBAW-MTJSOVHGSA-N	-1	1	324.811	5.204	40	30		DKEBMM
[O-]c1cc(Cl)ccc1/N=C\c1ccc(-c2cccc(F)c2)o1	ZINC000409020168	257224084	/nfs/dbraw/zinc/22/40/84/257224084.db2.gz	MKNNEQFSRWRRLB-JMIUGGIZSA-N	-1	1	315.731	5.195	40	30		DKEBMM