smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1cc([C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]2O)[n-]c(=O)n1	ZINC000016382964	182042773	/nfs/dbraw/zinc/04/27/73/182042773.db2.gz	PIAJBVKAWNZXAA-YDKYIBAVSA-N	-3	3	323.198	-2.377	50	0		DAAAHL
O=C([O-])CN(CCCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000001769289	304066354	/nfs/dbraw/zinc/06/63/54/304066354.db2.gz	DMQQXDPCRUGSQB-UHFFFAOYSA-N	-4	3	306.271	-1.681	50	0		DAAAHL
O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1cc(=O)[n-]c(=O)[nH]1	ZINC000220566788	373077888	/nfs/dbraw/zinc/07/78/88/373077888.db2.gz	QJVCWZRRWBJIAI-SFYZADRCSA-N	-2	3	313.266	-1.948	50	0		DAAAHL
O=S(=O)([O-])CCN1CCCN(CCS(=O)(=O)[O-])CC1	ZINC000019594730	182133080	/nfs/dbraw/zinc/13/30/80/182133080.db2.gz	QZTMPPUJIVQNKS-UHFFFAOYSA-N	-2	3	316.401	-1.230	50	0	in-vitro	DAAAHL
C[C@@H](CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]	ZINC000019367477	372781435	/nfs/dbraw/zinc/78/14/35/372781435.db2.gz	XNCSCQSQSGDGES-ZETCQYMHSA-N	-4	3	306.271	-1.683	50	0		DAAAHL
C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC[P@@](C)(=O)[O-])C(=O)[O-]	ZINC000001530428	299223199	/nfs/dbraw/zinc/22/31/99/299223199.db2.gz	GINJFDRNADDBIN-FXQIFTODSA-N	-2	3	323.286	-1.302	50	0	biogenic,in-vitro	DAAAHL
C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC[P@](C)(=O)[O-])C(=O)[O-]	ZINC000001530428	299223204	/nfs/dbraw/zinc/22/32/04/299223204.db2.gz	GINJFDRNADDBIN-FXQIFTODSA-N	-2	3	323.286	-1.302	50	0	biogenic,in-vitro	DAAAHL
C[C@H](CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]	ZINC000019366539	372781996	/nfs/dbraw/zinc/78/19/96/372781996.db2.gz	XNCSCQSQSGDGES-SSDOTTSWSA-N	-4	3	306.271	-1.683	50	0		DAAAHL
Cn1c(=O)[nH]c(=O)c2nc(CCC(=O)NCC(=O)[O-])c(=O)[n-]c21	ZINC000242263400	373130470	/nfs/dbraw/zinc/13/04/70/373130470.db2.gz	XYVVAYWZEVRMNK-UHFFFAOYSA-N	-2	3	323.265	-1.732	50	0		DAAAHL
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000019737440	182140774	/nfs/dbraw/zinc/14/07/74/182140774.db2.gz	BMXZSVPOMAQWKQ-UHFFFAOYSA-N	-2	3	317.323	-1.143	50	0		DAAAHL
NC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000004270318	181089869	/nfs/dbraw/zinc/08/98/69/181089869.db2.gz	MJUWGBFVKSSLIX-UHFFFAOYSA-N	-2	3	310.291	-1.037	50	0		DAAAHL
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000002928134	372764058	/nfs/dbraw/zinc/76/40/58/372764058.db2.gz	ZQYUZXRSDJNQGJ-ZETCQYMHSA-N	-2	3	317.323	-1.143	50	0		DAAAHL
Cn1cnc(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2OCC(=O)[O-])c1	ZINC000222952580	373084548	/nfs/dbraw/zinc/08/45/48/373084548.db2.gz	QZTZBDHPNZOCHB-RKDXNWHRSA-N	-2	3	319.339	-1.043	50	0		DAAAHL
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000002928133	372764424	/nfs/dbraw/zinc/76/44/24/372764424.db2.gz	ZQYUZXRSDJNQGJ-SSDOTTSWSA-N	-2	3	317.323	-1.143	50	0		DAAAHL
O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000219080384	373073788	/nfs/dbraw/zinc/07/37/88/373073788.db2.gz	ZRPJCRIADBSHKL-SFYZADRCSA-N	-2	3	313.266	-1.948	50	0		DAAAHL
O=P([O-])([O-])C(C[NH2+]C(CO)(CO)CO)P(=O)([O-])[O-]	ZINC000020478096	182222166	/nfs/dbraw/zinc/22/21/66/182222166.db2.gz	PXSBMTIQWUVIOD-UHFFFAOYSA-N	-3	3	309.148	-3.027	50	0		DAAAHL