smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c2c(nc(N)[n-]c2=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1=O	ZINC000011680998	211233925	/nfs/dbraw/zinc/23/39/25/211233925.db2.gz	VDCRFBBZFHHYGT-GIDNPQMSSA-N	-1	1	339.308	-2.734	1	30		EAEFMM
NC(=O)CC[C@H](N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000036519630	202326430	/nfs/dbraw/zinc/32/64/30/202326430.db2.gz	QFTRCUPCARNIPZ-CIUDSAMLSA-N	-1	1	346.409	-1.931	1	30	in-vivo	EAEFMM
[N-]=[N+]=Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](C[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000071281595	203089774	/nfs/dbraw/zinc/08/97/74/203089774.db2.gz	MLGZXNOKGNRVRV-YXZULKJRSA-N	-1	1	349.196	-1.725	1	30		EAEFMM
NC(N)=NC(=O)c1nc(Cl)c(NCC[P@](=O)([O-])O)nc1N	ZINC000073129736	216353894	/nfs/dbraw/zinc/35/38/94/216353894.db2.gz	ULVIPBWWRZQIAB-UHFFFAOYSA-N	-1	1	337.664	-1.285	1	30		EAEFMM
O=C1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccccc2N1[O-]	ZINC000095910603	290946813	/nfs/dbraw/zinc/94/68/13/290946813.db2.gz	OUSLYTBGQGKTME-VAMHBNGJSA-N	-1	1	343.288	-2.056	1	30	biogenic,in-vitro	EAEFMM
C[C@@H](Cn1c2ncnc-2c(N)nc1NC(N)=[NH2+])OCP(=O)([O-])[O-]	ZINC000101147289	219117772	/nfs/dbraw/zinc/11/77/72/219117772.db2.gz	ODIYKRZBDNCIIW-YFKPBYRVSA-N	-1	1	344.272	-1.195	1	30		EAEFMM
C[C@H](Cn1c2ncnc-2c(N)nc1NC(N)=[NH2+])OCP(=O)([O-])[O-]	ZINC000101458930	204008213	/nfs/dbraw/zinc/00/82/13/204008213.db2.gz	ODIYKRZBDNCIIW-RXMQYKEDSA-N	-1	1	344.272	-1.195	1	30		EAEFMM