smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(/C=N/c2ccc(Oc3ccc(/N=C/c4cc(C)cc([N+](=O)[O-])c4O)cc3)cc2)c([O-])c([N+](=O)[O-])c1	ZINC000002166265	551781789	/nfs/dbraw/zinc/78/17/89/551781789.db2.gz	IDLUHPONXXNRJW-CMNXJCJSSA-N	-1	2	526.505	6.825	10	30		KKEELM
CCCCCCCCCCCCCCCCCc1[nH]n(-c2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)c(=O)c1Sc1ccc([N+](=O)[O-])cc1	ZINC000150341813	571458362	/nfs/dbraw/zinc/45/83/62/571458362.db2.gz	DIHVHPXQADIHHD-QNGWXLTQSA-N	-1	2	723.958	10.759	10	30		KKEELM
CCCCCCCCCCCCC/C=C\[C@H](O)[C@@H](CO[P@@](=O)([O-])O)NC(=O)CCCCCCC	ZINC000100303800	554292250	/nfs/dbraw/zinc/29/22/50/554292250.db2.gz	VSSNYUXSRXINIP-XJJCIFQPSA-N	-1	2	505.677	6.559	10	30		KKEELM
CCCCCCCCCCCCC/C=C\[C@H](O)[C@@H](CO[P@](=O)([O-])O)NC(=O)CCCCCCC	ZINC000100303800	554292255	/nfs/dbraw/zinc/29/22/55/554292255.db2.gz	VSSNYUXSRXINIP-XJJCIFQPSA-N	-1	2	505.677	6.559	10	30		KKEELM
CCCCCCCCCCCCCCCCCc1[nH]n(-c2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)c(=O)c1Sc1ccc([N+](=O)[O-])cc1	ZINC000150341811	571458337	/nfs/dbraw/zinc/45/83/37/571458337.db2.gz	DIHVHPXQADIHHD-DIPNUNPCSA-N	-1	2	723.958	10.759	10	30		KKEELM
CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)c2ccccc2)cc1	ZINC000001536420	551683957	/nfs/dbraw/zinc/68/39/57/551683957.db2.gz	LIUNMFCWFYFUGQ-UHFFFAOYSA-N	-1	2	524.646	6.019	10	30	in-vivo	KKEELM
CCCCCCCCCCCCC/C=C\[C@H](O)[C@H](CO[P@@](=O)([O-])O)NC(=O)CCCCCCC	ZINC000106352043	571412117	/nfs/dbraw/zinc/41/21/17/571412117.db2.gz	VSSNYUXSRXINIP-URGOFHDASA-N	-1	2	505.677	6.559	10	30		KKEELM
CCCCCCCCCCCCC/C=C\[C@H](O)[C@H](CO[P@](=O)([O-])O)NC(=O)CCCCCCC	ZINC000106352043	571412118	/nfs/dbraw/zinc/41/21/18/571412118.db2.gz	VSSNYUXSRXINIP-URGOFHDASA-N	-1	2	505.677	6.559	10	30		KKEELM