smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C=C([O-])C=CC1=C[NH+]=C1C=CC(=NNc2ccccc2)C=C1	ZINC000018069248	182091801	/nfs/dbraw/zinc/09/18/01/182091801.db2.gz	FGWAFVXSDJQNPJ-AUOXKNKGSA-N	0	1	317.348	5.264	10	30		DKEEMN
CC(N=Nc1ccc(F)cc1F)c1ccc(Cl)c(Cl)c1	ZINC000034847664	518452496	/nfs/dbraw/zinc/45/24/96/518452496.db2.gz	GGUFIWXYWFMILM-UWVJOHFNSA-N	0	1	315.150	5.108	10	30		DKEEMN
CCCCO[C@]1(CCCC)C=CC(/N=C\c2ccccc2)=CC1	ZINC000071791722	520846897	/nfs/dbraw/zinc/84/68/97/520846897.db2.gz	QEQZIMFOIZKHQM-QUPCICMCSA-N	0	1	311.469	5.695	10	30		DKEEMN
CCCCO[C@@]1(CCCC)C=CC(/N=C\c2ccccc2)=CC1	ZINC000071791723	520830864	/nfs/dbraw/zinc/83/08/64/520830864.db2.gz	QEQZIMFOIZKHQM-UEBMVEOSSA-N	0	1	311.469	5.695	10	30		DKEEMN
CCCCCCCCCCCCCCCC(O)=CC(=O)OC	ZINC000100071584	337385263	/nfs/dbraw/zinc/38/52/63/337385263.db2.gz	UKKQXJNTICLENY-UHFFFAOYSA-N	0	1	312.494	5.600	10	30		DKEEMN
C/N=C1/CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21	ZINC000100272001	257121547	/nfs/dbraw/zinc/12/15/47/257121547.db2.gz	MGBVAZJASCWJGJ-SJKAGUJJSA-N	0	1	304.220	5.338	10	30		DKEEMN
C/N=C1/CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21	ZINC000100272005	257121072	/nfs/dbraw/zinc/12/10/72/257121072.db2.gz	MGBVAZJASCWJGJ-AQNJYJFJSA-N	0	1	304.220	5.338	10	30		DKEEMN
O=C1C=C([O-])C=CC1=C[NH+]=C1C=CC(=NNc2ccccc2)C=C1	ZINC000100488635	563551063	/nfs/dbraw/zinc/55/10/63/563551063.db2.gz	FGWAFVXSDJQNPJ-JQYOOHNSSA-N	0	1	317.348	5.264	10	30		DKEEMN
C[C@H]1CCCC(C)(C)[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1O	ZINC000584650553	337380753	/nfs/dbraw/zinc/38/07/53/337380753.db2.gz	QTHFCGXZAIJYGR-MKUCCSDHSA-N	0	1	314.256	5.333	10	30		DKEEMN