smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1nonc1[N-]C[N-]c1nonc1C#N	ZINC000001089440	181177122	/nfs/dbraw/zinc/17/71/22/181177122.db2.gz	RISXIJLAIWVJML-UHFFFAOYSA-N	-2	3	232.163	-0.323	40	30		BBEBHL
O=C1[N-]N(c2ccccc2)C(=O)/C1=N\[O-]	ZINC000016488465	384459915	/nfs/dbraw/zinc/45/99/15/384459915.db2.gz	ADKXYBKMNSVPOO-XFFZJAGNSA-N	-2	3	205.173	-0.105	40	30		BBEBHL
O=C([O-])c1ccccc1NC(=O)C(=O)N[O-]	ZINC000036055718	182279479	/nfs/dbraw/zinc/27/94/79/182279479.db2.gz	USKMLDBTVASNGD-UHFFFAOYSA-N	-2	3	224.172	-0.171	40	30		BBEBHL
C[C@@H](N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000094437881	386463542	/nfs/dbraw/zinc/46/35/42/386463542.db2.gz	VYZAGTDAHUIRQA-UHNVWZDZSA-N	-2	3	218.209	-0.392	40	30	endogenous,in-man	BBEBHL
Cc1nonc1C1=NOC(=N\[O-])/C1=N/[O-]	ZINC000108528871	388626431	/nfs/dbraw/zinc/62/64/31/388626431.db2.gz	UOMKQCLQDNZNNN-YMBWGVAGSA-N	-2	3	211.137	-0.270	40	30		BBEBHL
Nc1nc(/C(=N/[O-])C(=O)NCC(=O)[O-])cs1	ZINC000148210840	368420925	/nfs/dbraw/zinc/42/09/25/368420925.db2.gz	JFHNSSMBYZTXNM-WZUFQYTHSA-N	-2	3	244.232	-0.896	40	30		BBEBHL