smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@H](CCC(=O)NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-]	ZINC000095617811	571796704	/nfs/dbraw/zinc/79/67/04/571796704.db2.gz	NHXCEHCKISFORA-GHMZBOCLSA-N	1	2	309.322	-0.903	1	0	endogenous,in-man	DBAFLO
Nc1[nH+]cnc2c1c1ccccc1n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000096915922	185391472	/nfs/dbraw/zinc/39/14/72/185391472.db2.gz	MDGZHEKWLXRFOH-SDBHATRESA-N	1	2	316.317	-0.222	1	0		DBAFLO
CCCNc1[nH+]cnc2c1cnn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000048999948	190677418	/nfs/dbraw/zinc/67/74/18/190677418.db2.gz	XUMLTIJAOXDPSU-PRFIWBCESA-N	1	2	309.326	-0.740	1	0		DBAFLO
Nc1[nH+]cnc2c1c(Cl)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000005161615	181211754	/nfs/dbraw/zinc/21/17/54/181211754.db2.gz	WUHZZVWKGCJQHU-IOSLPCCCSA-N	1	2	300.702	-0.722	1	0		DBAFLO
[NH3+][C@H](CCC(=O)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-]	ZINC000095617810	571796639	/nfs/dbraw/zinc/79/66/39/571796639.db2.gz	NHXCEHCKISFORA-MNOVXSKESA-N	1	2	309.322	-0.903	1	0	endogenous,in-man	DBAFLO
COc1cc2[nH+]cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2cc1OC	ZINC000082154414	192362582	/nfs/dbraw/zinc/36/25/82/192362582.db2.gz	IKYWTSLWXBHETK-AAVRWANBSA-N	1	2	310.306	-0.335	1	0		DBAFLO
[NH3+][C@@H](CCC(=O)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-]	ZINC000013514846	571702834	/nfs/dbraw/zinc/70/28/34/571702834.db2.gz	NHXCEHCKISFORA-QWRGUYRKSA-N	1	2	309.322	-0.903	1	0	endogenous,in-man	DBAFLO
CNc1ncnc2c1ncn2[C@H]1C[N@H+](CCOC)C[C@@H](CO)O1	ZINC000061905076	184194276	/nfs/dbraw/zinc/19/42/76/184194276.db2.gz	JFZSDDXJVZNLCN-WDEREUQCSA-N	1	2	322.369	-0.294	3	0		DBAFLO
CNc1ncnc2c1ncn2[C@H]1C[N@@H+](CCOC)C[C@@H](CO)O1	ZINC000061905076	184194277	/nfs/dbraw/zinc/19/42/77/184194277.db2.gz	JFZSDDXJVZNLCN-WDEREUQCSA-N	1	2	322.369	-0.294	3	0		DBAFLO
C[C@H](O)[C@@](O)(C(=O)OC[C@@H]1CC[N@@H+]2CCC[C@@H]12)C(C)(C)O	ZINC000015217020	560229436	/nfs/dbraw/zinc/22/94/36/560229436.db2.gz	QRVKSRGLONTBPX-JUFZMCDQSA-N	1	2	301.383	-0.103	1	0	biogenic,in-vitro	DBAFLO
C[C@H](O)[C@@](O)(C(=O)OC[C@@H]1CC[N@H+]2CCC[C@@H]12)C(C)(C)O	ZINC000015217020	560229439	/nfs/dbraw/zinc/22/94/39/560229439.db2.gz	QRVKSRGLONTBPX-JUFZMCDQSA-N	1	2	301.383	-0.103	1	0	biogenic,in-vitro	DBAFLO
COC(=O)CCC(=O)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O	ZINC000040943155	183149518	/nfs/dbraw/zinc/14/95/18/183149518.db2.gz	KMPZDKQWPBROSH-LBPRGKRZSA-N	1	2	324.337	-0.905	1	0		DBAFLO
COC(=O)CCC(=O)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O	ZINC000040943155	183149519	/nfs/dbraw/zinc/14/95/19/183149519.db2.gz	KMPZDKQWPBROSH-LBPRGKRZSA-N	1	2	324.337	-0.905	1	0		DBAFLO
NC(=O)c1c(CN2CCC(Cc3c[nH]c[nH+]3)CC2)no[n+]1[O-]	ZINC000040866507	183144656	/nfs/dbraw/zinc/14/46/56/183144656.db2.gz	MGZYHXZSJZZMSH-UHFFFAOYSA-N	1	2	306.326	-0.415	1	0		DBAFLO
CSc1c(C(N)=O)c2c(nc[nH+]c2N)n1C[C@@H](O)CCO	ZINC000005929332	181296968	/nfs/dbraw/zinc/29/69/68/181296968.db2.gz	XLYCXJBVTVJBDO-LURJTMIESA-N	1	2	311.367	-0.422	1	0		DBAFLO
[NH3+][C@H](Cc1ccc(O)cc1)C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000095617809	571796543	/nfs/dbraw/zinc/79/65/43/571796543.db2.gz	NHXCEHCKISFORA-WDEREUQCSA-N	1	2	309.322	-0.903	1	0	endogenous,in-man	DBAFLO