smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCc1nn[nH]n1)N1CCSC[C@H]1c1nn[nH]n1	ZINC001417719268	890164854	/nfs/dbraw/zinc/16/48/54/890164854.db2.gz	AUGNKICEPOMZFI-LURJTMIESA-N	-2	2	295.332	-1.038	20	0		CAADLL
O=C(CCCc1nn[nH]n1)N1CCOC[C@@H]1c1nn[nH]n1	ZINC001434273305	891097634	/nfs/dbraw/zinc/09/76/34/891097634.db2.gz	BWDNUGYZYKCSGU-SSDOTTSWSA-N	-2	2	293.291	-1.364	20	0		CAADLL
O=C([O-])CNC(=O)C[N@@H+]1CC[C@@H](c2nn[nH]n2)C1	ZINC001574726894	962814510	/nfs/dbraw/zinc/81/45/10/962814510.db2.gz	JIZNLQFNQSRECJ-ZCFIWIBFSA-N	-2	2	254.250	-1.810	20	0		CAADLL
O=C([O-])CNC(=O)C[N@H+]1CC[C@@H](c2nn[nH]n2)C1	ZINC001574726894	962814523	/nfs/dbraw/zinc/81/45/23/962814523.db2.gz	JIZNLQFNQSRECJ-ZCFIWIBFSA-N	-2	2	254.250	-1.810	20	0		CAADLL
O=C(CCc1nn[nH]n1)N1CCSC[C@@H]1c1nn[nH]n1	ZINC001417719269	890164632	/nfs/dbraw/zinc/16/46/32/890164632.db2.gz	AUGNKICEPOMZFI-ZCFIWIBFSA-N	-2	2	295.332	-1.038	20	0		CAADLL
O=C(CCc1nn[nH]n1)N1CCOC[C@@H]1c1nn[nH]n1	ZINC001454552778	892007960	/nfs/dbraw/zinc/00/79/60/892007960.db2.gz	HVUDFQGKLWQGML-ZCFIWIBFSA-N	-2	2	279.264	-1.755	20	0		CAADLL
O=C(CCc1nn[nH]n1)N1CCOC[C@H]1c1nn[nH]n1	ZINC001454552776	892008301	/nfs/dbraw/zinc/00/83/01/892008301.db2.gz	HVUDFQGKLWQGML-LURJTMIESA-N	-2	2	279.264	-1.755	20	0		CAADLL
O=C([O-])CNC(=O)C[N@@H+]1CC[C@H](c2nn[nH]n2)C1	ZINC001574726888	962814445	/nfs/dbraw/zinc/81/44/45/962814445.db2.gz	JIZNLQFNQSRECJ-LURJTMIESA-N	-2	2	254.250	-1.810	20	0		CAADLL
O=C([O-])CNC(=O)C[N@H+]1CC[C@H](c2nn[nH]n2)C1	ZINC001574726888	962814454	/nfs/dbraw/zinc/81/44/54/962814454.db2.gz	JIZNLQFNQSRECJ-LURJTMIESA-N	-2	2	254.250	-1.810	20	0		CAADLL
Cn1ncc(C(=O)NCc2nc(O)cc(=O)[nH]2)n1	ZINC001168430981	775889745	/nfs/dbraw/zinc/88/97/45/775889745.db2.gz	PNUVBSQUFSPMFW-UHFFFAOYSA-N	-2	2	250.218	-1.054	20	0		CAADLL
O=C(Oc1[nH]c(=O)ncc1F)[C@H](O)COP(=O)([O-])[O-]	ZINC001225884075	780440490	/nfs/dbraw/zinc/44/04/90/780440490.db2.gz	FGDNXKBCMUIPSD-SCSAIBSYSA-N	-2	2	298.119	-1.303	20	0		CAADLL
O=C([O-])C(F)(F)C(F)(F)C(=O)N[C@@H]1CO[N-]C1=O	ZINC001180175635	781653748	/nfs/dbraw/zinc/65/37/48/781653748.db2.gz	BMGIWYQUCAKVEH-UWTATZPHSA-N	-2	2	274.126	-1.112	20	0		CAADLL
O=C(CCCc1nn[nH]n1)N1CCOC[C@H]1c1nn[nH]n1	ZINC001434273307	891096883	/nfs/dbraw/zinc/09/68/83/891096883.db2.gz	BWDNUGYZYKCSGU-ZETCQYMHSA-N	-2	2	293.291	-1.364	20	0		CAADLL
Cc1cc(=O)[nH]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001226159456	780441742	/nfs/dbraw/zinc/44/17/42/780441742.db2.gz	MRXGWQZMCSGWDJ-RXMQYKEDSA-N	-2	2	294.156	-1.134	20	0		CAADLL
O=[P@]([O-])(O)CCNS(=O)(=O)c1ncc[nH]1	ZINC001190745323	781887557	/nfs/dbraw/zinc/88/75/57/781887557.db2.gz	MDOFMSWCFQFBHK-UHFFFAOYSA-N	-3	2	255.192	-1.134	20	0		CAADLL
O=C(NCc1nn[nH]n1)c1c[nH]c(=S)[nH]c1=O	ZINC001196024949	782022439	/nfs/dbraw/zinc/02/24/39/782022439.db2.gz	VGNSFWHGIDUTSD-UHFFFAOYSA-N	-2	2	253.247	-1.086	20	0		CAADLL
O=C(Oc1nccc(=O)[nH]1)[C@H](O)COP(=O)([O-])[O-]	ZINC001226326244	780441992	/nfs/dbraw/zinc/44/19/92/780441992.db2.gz	JEWLBTZTOCQSPI-SCSAIBSYSA-N	-2	2	280.129	-1.442	20	0		CAADLL
O=C(Oc1nc(O)cc(=O)[nH]1)[C@H](O)COP(=O)([O-])[O-]	ZINC001228392578	780450624	/nfs/dbraw/zinc/45/06/24/780450624.db2.gz	SXOCAARIUXWMMO-GSVOUGTGSA-N	-2	2	296.128	-1.737	20	0		CAADLL