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([O-])c1ccc2[nH]c3nc(=O)[nH]c(=O)c-3nc2c1	ZINC000023528945	304255012	/nfs/dbraw/zinc/25/50/12/304255012.db2.gz	MIBMIIWPCRTMME-UHFFFAOYSA-N	-1	2	258.193	0.270	40	5		CCBBLM
CCC(=O)N[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000035183105	172037046	/nfs/dbraw/zinc/03/70/46/172037046.db2.gz	SELRZHQFQYBPFA-MRVPVSSYSA-N	-1	2	282.252	0.822	40	5		CCBBLM
CC(=O)c1ccc2nc3c(=O)[nH]c(=O)nc-3[n-]c2c1	ZINC000005836145	278251002	/nfs/dbraw/zinc/25/10/02/278251002.db2.gz	WNIUOFRBHOEROX-UHFFFAOYSA-N	-1	2	256.221	0.775	40	5		CCBBLM
Cc1ncc([N+](=O)[O-])n1CCO[P@@](=O)([O-])O	ZINC000001855987	347963528	/nfs/dbraw/zinc/96/35/28/347963528.db2.gz	GFFOAZOYBIIJHI-UHFFFAOYSA-N	-1	2	251.135	0.209	40	5	in-man	CCBBLM
Cc1ncc([N+](=O)[O-])n1CCO[P@](=O)([O-])O	ZINC000001855987	347963532	/nfs/dbraw/zinc/96/35/32/347963532.db2.gz	GFFOAZOYBIIJHI-UHFFFAOYSA-N	-1	2	251.135	0.209	40	5	in-man	CCBBLM
Cn1c(=O)cc([O-])c2c3c(O)cc(=O)n(C)c3ccc21	ZINC000006452624	170202344	/nfs/dbraw/zinc/20/23/44/170202344.db2.gz	VXSKPNMCDSIUAC-UHFFFAOYSA-N	-1	2	272.260	0.802	40	5		CCBBLM
CCOC(=O)c1ccc([P@@](=O)([O-])O)cc1[N+](=O)[O-]	ZINC000001870292	347963713	/nfs/dbraw/zinc/96/37/13/347963713.db2.gz	OTUGKEOBXPNFFM-UHFFFAOYSA-N	-1	2	275.153	0.575	40	5		CCBBLM
CCOC(=O)c1ccc([P@](=O)([O-])O)cc1[N+](=O)[O-]	ZINC000001870292	347963715	/nfs/dbraw/zinc/96/37/15/347963715.db2.gz	OTUGKEOBXPNFFM-UHFFFAOYSA-N	-1	2	275.153	0.575	40	5		CCBBLM
CC(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000071256923	176095788	/nfs/dbraw/zinc/09/57/88/176095788.db2.gz	MYWCKMXQJXDPQZ-QMMMGPOBSA-N	-1	2	268.225	0.432	40	5		CCBBLM
O=C([O-])/C=C\C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000005006773	170054387	/nfs/dbraw/zinc/05/43/87/170054387.db2.gz	JRMQUDSCPXWMBC-ARJAWSKDSA-N	-1	2	252.182	0.880	40	5		CCBBLM
CCC(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000035183104	172036737	/nfs/dbraw/zinc/03/67/37/172036737.db2.gz	SELRZHQFQYBPFA-QMMMGPOBSA-N	-1	2	282.252	0.822	40	5		CCBBLM