smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](O)[C@@H](O)[C@@H]1CNc2[nH+]c(N)nc(N)c2N1	ZINC000006381855	177007825	/nfs/dbraw/zinc/00/78/25/177007825.db2.gz	NDSDGUULXHNXGA-RVJQKOHUSA-N	1	2	240.267	-1.411	1	0	investigational	BAAFLO
C[C@H](O)[C@@H](O)[C@@H]1CNc2nc(N)[nH+]c(N)c2N1	ZINC000006381855	177007823	/nfs/dbraw/zinc/00/78/23/177007823.db2.gz	NDSDGUULXHNXGA-RVJQKOHUSA-N	1	2	240.267	-1.411	1	0	investigational	BAAFLO
Cn1c[nH+]c(C[C@H](NC(=O)CC[NH3+])C(=O)[O-])c1	ZINC000012496588	571695241	/nfs/dbraw/zinc/69/52/41/571695241.db2.gz	SLRNWACWRVGMKD-QMMMGPOBSA-N	1	2	240.263	-1.119	1	0	endogenous,in-man	BAAFLO
CNC(=[NH2+])NCCC[C@@H]([NH3+])[P@](=O)([O-])O	ZINC000025964719	173210024	/nfs/dbraw/zinc/21/00/24/173210024.db2.gz	SGRXBUFWCPMGAO-YFKPBYRVSA-N	1	2	224.201	-1.027	1	0		BAAFLO
CNC(=[NH2+])NCCC[C@@H]([NH3+])[P@@](=O)([O-])O	ZINC000025964719	173210022	/nfs/dbraw/zinc/21/00/22/173210022.db2.gz	SGRXBUFWCPMGAO-YFKPBYRVSA-N	1	2	224.201	-1.027	1	0		BAAFLO
CNC(=[NH2+])NCCC[C@H]([NH3+])[P@](=O)([O-])O	ZINC000025964725	173209324	/nfs/dbraw/zinc/20/93/24/173209324.db2.gz	SGRXBUFWCPMGAO-RXMQYKEDSA-N	1	2	224.201	-1.027	1	0		BAAFLO
CNC(=[NH2+])NCCC[C@H]([NH3+])[P@@](=O)([O-])O	ZINC000025964725	173209322	/nfs/dbraw/zinc/20/93/22/173209322.db2.gz	SGRXBUFWCPMGAO-RXMQYKEDSA-N	1	2	224.201	-1.027	1	0		BAAFLO
OCC[N@H+]1C[C@@H](F)[C@@H](O)[C@H](O)[C@H]1CO	ZINC000045285501	183076684	/nfs/dbraw/zinc/07/66/84/183076684.db2.gz	OFUJFVFATCHVLE-WCTZXXKLSA-N	1	2	209.217	-2.285	1	0		BAAFLO
OCC[N@@H+]1C[C@@H](F)[C@@H](O)[C@H](O)[C@H]1CO	ZINC000045285501	183076681	/nfs/dbraw/zinc/07/66/81/183076681.db2.gz	OFUJFVFATCHVLE-WCTZXXKLSA-N	1	2	209.217	-2.285	1	0		BAAFLO
CN(O)c1nc(NN)[nH+]c(N2CCOCC2)n1	ZINC000045393797	536487614	/nfs/dbraw/zinc/48/76/14/536487614.db2.gz	LWEVKSBVTOUSCD-UHFFFAOYSA-N	1	2	241.255	-1.181	1	0		BAAFLO
[NH2+]=C1NC=N[C@H]2[C@H]1N=CN2[C@@H]1C=C[C@@H](CO)O1	ZINC000049739371	181339050	/nfs/dbraw/zinc/33/90/50/181339050.db2.gz	JVDLURWGVVPGCO-AZQAYCESSA-N	1	2	235.247	-1.303	1	0		BAAFLO
[NH2+]=C1NC=N[C@H]2[C@H]1N=CN2[C@H]1C=C[C@H](CO)O1	ZINC000049739373	181339452	/nfs/dbraw/zinc/33/94/52/181339452.db2.gz	JVDLURWGVVPGCO-BDNRQGISSA-N	1	2	235.247	-1.303	1	0		BAAFLO
[NH2+]=C1NC=N[C@H]2[C@H]1N=CN2[C@@H]1CC[C@@H](CO)O1	ZINC000049888561	181339522	/nfs/dbraw/zinc/33/95/22/181339522.db2.gz	BMMDHYHZUNLVLO-AZQAYCESSA-N	1	2	237.263	-1.079	1	0		BAAFLO
[NH3+]CC(=O)NC(=O)NCCC[C@H]([NH3+])C(=O)[O-]	ZINC000058591489	181350914	/nfs/dbraw/zinc/35/09/14/181350914.db2.gz	FLWOKRQNNOTMGJ-YFKPBYRVSA-N	1	2	232.240	-2.037	1	0		BAAFLO
[NH3+][C@]12NC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H]2O	ZINC000084632660	181663498	/nfs/dbraw/zinc/66/34/98/181663498.db2.gz	QSJOCUZQHBBNGJ-NVKKRIHQSA-N	1	2	219.197	-4.220	1	0		BAAFLO
C[C@H](O)[C@H]([NH3+])C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000095617797	574417039	/nfs/dbraw/zinc/41/70/39/574417039.db2.gz	BTVBLYICTTUOEJ-VPLCAKHXSA-N	1	2	247.251	-2.471	1	0	endogenous,in-man	BAAFLO
C[C@H](O)[C@@H]([NH3+])C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000095617798	574417035	/nfs/dbraw/zinc/41/70/35/574417035.db2.gz	BTVBLYICTTUOEJ-KZLJYQGOSA-N	1	2	247.251	-2.471	1	0	endogenous,in-man	BAAFLO
CC(C)[C@H]([NH3+])C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000095617812	571796536	/nfs/dbraw/zinc/79/65/36/571796536.db2.gz	RNVIUPLZMWAIQD-XPUUQOCRSA-N	1	2	245.279	-1.195	1	0	endogenous,in-man	BAAFLO
CC(C)[C@@H]([NH3+])C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000095617813	571796621	/nfs/dbraw/zinc/79/66/21/571796621.db2.gz	RNVIUPLZMWAIQD-POYBYMJQSA-N	1	2	245.279	-1.195	1	0	endogenous,in-man	BAAFLO
CC(C)[C@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000095617814	571796683	/nfs/dbraw/zinc/79/66/83/571796683.db2.gz	RNVIUPLZMWAIQD-SVRRBLITSA-N	1	2	245.279	-1.195	1	0	endogenous,in-man	BAAFLO
CC(C)[C@@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000095617815	571796654	/nfs/dbraw/zinc/79/66/54/571796654.db2.gz	RNVIUPLZMWAIQD-HTRCEHHLSA-N	1	2	245.279	-1.195	1	0	endogenous,in-man	BAAFLO
[NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC(CO)C(=O)[O-]	ZINC000100386849	574417684	/nfs/dbraw/zinc/41/76/84/574417684.db2.gz	RTWXXCDQUBWKDK-ZCFIWIBFSA-N	1	2	242.235	-1.327	1	0	endogenous,in-vitro	BAAFLO
[NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(CO)C(=O)[O-]	ZINC000100386853	574417639	/nfs/dbraw/zinc/41/76/39/574417639.db2.gz	RTWXXCDQUBWKDK-LURJTMIESA-N	1	2	242.235	-1.327	1	0	endogenous,in-vitro	BAAFLO
[NH3+][C@H](CO)C(=O)NC(Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000100387979	574418122	/nfs/dbraw/zinc/41/81/22/574418122.db2.gz	JUWNDTDUAQMIHZ-ZCFIWIBFSA-N	1	2	242.235	-1.327	1	0	endogenous,in-vitro	BAAFLO
[NH3+][C@H](CO)C(=O)NC(Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000100387979	574418121	/nfs/dbraw/zinc/41/81/21/574418121.db2.gz	JUWNDTDUAQMIHZ-ZCFIWIBFSA-N	1	2	242.235	-1.327	1	0	endogenous,in-vitro	BAAFLO
[NH3+][C@@H](CO)C(=O)NC(Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000100387983	574418130	/nfs/dbraw/zinc/41/81/30/574418130.db2.gz	JUWNDTDUAQMIHZ-LURJTMIESA-N	1	2	242.235	-1.327	1	0	endogenous,in-vitro	BAAFLO
[NH3+][C@@H](CO)C(=O)NC(Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000100387983	574418129	/nfs/dbraw/zinc/41/81/29/574418129.db2.gz	JUWNDTDUAQMIHZ-LURJTMIESA-N	1	2	242.235	-1.327	1	0	endogenous,in-vitro	BAAFLO
C[C@@H](O)[C@@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000100771350	571813705	/nfs/dbraw/zinc/81/37/05/571813705.db2.gz	BTVBLYICTTUOEJ-WYDQCIBASA-N	1	2	247.251	-2.471	1	0	endogenous,in-vitro	BAAFLO
C[C@H](O)[C@@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000100771352	571813580	/nfs/dbraw/zinc/81/35/80/571813580.db2.gz	BTVBLYICTTUOEJ-HBPOCXIASA-N	1	2	247.251	-2.471	1	0	endogenous,in-vitro	BAAFLO
C[C@@H](O)[C@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000100771353	571814077	/nfs/dbraw/zinc/81/40/77/571814077.db2.gz	BTVBLYICTTUOEJ-XAHCXIQSSA-N	1	2	247.251	-2.471	1	0	endogenous,in-vitro	BAAFLO
C[C@H](O)[C@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000100771354	571813897	/nfs/dbraw/zinc/81/38/97/571813897.db2.gz	BTVBLYICTTUOEJ-BFHQHQDPSA-N	1	2	247.251	-2.471	1	0	endogenous,in-vitro	BAAFLO
[NH2+]=C1NC=N[C@@H]2[C@@H]1N=CN2[C@@H]1CC[C@@H](CO)O1	ZINC000169317899	181339624	/nfs/dbraw/zinc/33/96/24/181339624.db2.gz	BMMDHYHZUNLVLO-OORONAJNSA-N	1	2	237.263	-1.079	1	0		BAAFLO
[NH2+]=C1NC=N[C@H]2[C@@H]1N=CN2[C@@H]1CC[C@@H](CO)O1	ZINC000169317901	181339642	/nfs/dbraw/zinc/33/96/42/181339642.db2.gz	BMMDHYHZUNLVLO-QHOPCYEYSA-N	1	2	237.263	-1.079	1	0		BAAFLO
[NH2+]=C1NC=N[C@@H]2[C@H]1N=CN2[C@@H]1CC[C@@H](CO)O1	ZINC000169317903	181338778	/nfs/dbraw/zinc/33/87/78/181338778.db2.gz	BMMDHYHZUNLVLO-GHCJXIJMSA-N	1	2	237.263	-1.079	1	0		BAAFLO
[NH2+]=C1NC=N[C@@H]2[C@@H]1N=CN2[C@@H]1C=C[C@@H](CO)O1	ZINC000169372369	181339508	/nfs/dbraw/zinc/33/95/08/181339508.db2.gz	JVDLURWGVVPGCO-OORONAJNSA-N	1	2	235.247	-1.303	1	0		BAAFLO
[NH2+]=C1NC=N[C@H]2[C@@H]1N=CN2[C@@H]1C=C[C@@H](CO)O1	ZINC000169372370	181338834	/nfs/dbraw/zinc/33/88/34/181338834.db2.gz	JVDLURWGVVPGCO-QHOPCYEYSA-N	1	2	235.247	-1.303	1	0		BAAFLO
[NH2+]=C1NC=N[C@@H]2[C@H]1N=CN2[C@@H]1C=C[C@@H](CO)O1	ZINC000169372371	181339330	/nfs/dbraw/zinc/33/93/30/181339330.db2.gz	JVDLURWGVVPGCO-GHCJXIJMSA-N	1	2	235.247	-1.303	1	0		BAAFLO
[NH2+]=C1NC=N[C@@H]2[C@@H]1N=CN2[C@H]1C=C[C@H](CO)O1	ZINC000195346202	181339110	/nfs/dbraw/zinc/33/91/10/181339110.db2.gz	JVDLURWGVVPGCO-DQUBFYRCSA-N	1	2	235.247	-1.303	1	0		BAAFLO
[NH2+]=C1NC=N[C@H]2[C@@H]1N=CN2[C@H]1C=C[C@H](CO)O1	ZINC000195346213	181339629	/nfs/dbraw/zinc/33/96/29/181339629.db2.gz	JVDLURWGVVPGCO-FDDDBJFASA-N	1	2	235.247	-1.303	1	0		BAAFLO
[NH2+]=C1NC=N[C@@H]2[C@H]1N=CN2[C@H]1C=C[C@H](CO)O1	ZINC000195346219	181339496	/nfs/dbraw/zinc/33/94/96/181339496.db2.gz	JVDLURWGVVPGCO-ODXREFDESA-N	1	2	235.247	-1.303	1	0		BAAFLO