smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(N)c2c(n1)CC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000001689613	555709624	/nfs/dbraw/zinc/70/96/24/555709624.db2.gz	TYOWJZPXJKBXTL-ZBEGNZNMSA-N	-2	1	442.476	0.906	40	0		ICABML
Nc1nc(N)c2c(n1)CC[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000001689614	555709586	/nfs/dbraw/zinc/70/95/86/555709586.db2.gz	TYOWJZPXJKBXTL-BZNIZROVSA-N	-2	1	442.476	0.906	40	0		ICABML
Nc1nc(N)c2c(n1)CC[C@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000001689615	555709592	/nfs/dbraw/zinc/70/95/92/555709592.db2.gz	TYOWJZPXJKBXTL-MEDUHNTESA-N	-2	1	442.476	0.906	40	0		ICABML
Nc1nc(N)c2c(n1)CC[C@@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000001689616	555709673	/nfs/dbraw/zinc/70/96/73/555709673.db2.gz	TYOWJZPXJKBXTL-BDJLRTHQSA-N	-2	1	442.476	0.906	40	0		ICABML
Nc1nc2c(c(=O)[n-]1)N=C(CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000004517559	555999392	/nfs/dbraw/zinc/99/93/92/555999392.db2.gz	OZRNSSUDZOLUSN-GFCCVEGCSA-N	-3	1	443.420	0.010	40	0	in-vivo	ICABML
Nc1ncc(NCCCNc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(=O)[n-]1	ZINC000008618932	556193314	/nfs/dbraw/zinc/19/33/14/556193314.db2.gz	WMFWNLXPANBCNG-ZDUSSCGKSA-N	-3	1	432.437	0.726	40	0		ICABML
Nc1ncc(NCCCNc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c(=O)[n-]1	ZINC000008627228	556193807	/nfs/dbraw/zinc/19/38/07/556193807.db2.gz	WMFWNLXPANBCNG-CYBMUJFWSA-N	-3	1	432.437	0.726	40	0		ICABML
O=C([O-])[C@H]1O[C@@H](Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000008952594	291317083	/nfs/dbraw/zinc/31/70/83/291317083.db2.gz	MOFOLNOWFPVLGZ-BHWDSYMASA-N	-2	1	446.364	0.142	40	0	biogenic	ICABML
Cc1c(CCO[P@@](=O)([O-])O[P@](=O)([O-])O)sc(=O)n1Cc1cnc(C)nc1N	ZINC000013540298	562992742	/nfs/dbraw/zinc/99/27/42/562992742.db2.gz	ZGJUYGIRPQSCFA-UHFFFAOYSA-N	-2	1	440.311	0.716	40	0	in-vitro	ICABML
Cc1c(CCO[P@@](=O)([O-])O[P@@](=O)([O-])O)sc(=O)n1Cc1cnc(C)nc1N	ZINC000013540298	562992741	/nfs/dbraw/zinc/99/27/41/562992741.db2.gz	ZGJUYGIRPQSCFA-UHFFFAOYSA-N	-2	1	440.311	0.716	40	0	in-vitro	ICABML
O=C([O-])[C@H]1O[C@@H](Oc2ccc([C@@H]3CC(=O)c4c(O)cc([O-])cc4O3)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000045789238	556687613	/nfs/dbraw/zinc/68/76/13/556687613.db2.gz	DFIUUCDSSKATFP-CGXGPNJMSA-N	-2	1	448.380	0.075	40	0	endogenous,in-man	ICABML
Nc1nc2c(c(=O)[n-]1)[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C(=O)N2	ZINC000077301924	568784956	/nfs/dbraw/zinc/78/49/56/568784956.db2.gz	YVRHJHKPTURIID-NWDGAFQWSA-N	-3	1	443.416	0.068	40	0	in-vitro	ICABML
COc1cc([O-])c(C(=O)c2ccc(S(=O)(=O)[O-])c(OC)c2O)cc1S(=O)(=O)[O-]	ZINC000095933542	568936674	/nfs/dbraw/zinc/93/66/74/568936674.db2.gz	WFMIKTMPPQYEHW-UHFFFAOYSA-N	-3	1	434.400	0.839	40	0		ICABML
Nc1nc2c(c(=O)[n-]1)[C@@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C(=O)N2	ZINC000103578168	557316784	/nfs/dbraw/zinc/31/67/84/557316784.db2.gz	YVRHJHKPTURIID-VXGBXAGGSA-N	-3	1	443.416	0.068	40	0	in-vitro	ICABML
Cc1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)[N-]C(N)=O)cc3)cc12	ZINC000217446141	569445962	/nfs/dbraw/zinc/44/59/62/569445962.db2.gz	UTKKVPQLDVRKJD-UHFFFAOYSA-N	-2	1	436.471	0.994	40	0		ICABML