smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)C(O)(C2C(=O)CCCC2=O)C(=O)N1	ZINC000005464706	372774941	/nfs/dbraw/zinc/77/49/41/372774941.db2.gz	HKFUKCYHWOTOEU-UHFFFAOYSA-N	0	2	254.198	-1.351	40	30		CAEBLN
COCCNC(=O)C1C(=O)N(CCOC)C(=O)/C1=N/N	ZINC000102917351	372901449	/nfs/dbraw/zinc/90/14/49/372901449.db2.gz	HUHKGWBVZZHMDU-DMPRARNXSA-N	0	2	286.288	-2.305	40	30		CAEBLN
COCCNC(=O)C1C(=O)N(CCOC)C(=O)/C1=N\N	ZINC000006385379	170197093	/nfs/dbraw/zinc/19/70/93/170197093.db2.gz	HUHKGWBVZZHMDU-WFWFTHNNSA-N	0	2	286.288	-2.305	40	30		CAEBLN
COCCNC(=O)C1C(=O)N(CCOC)C(=O)/C1=N/N	ZINC000102917350	372901306	/nfs/dbraw/zinc/90/13/06/372901306.db2.gz	HUHKGWBVZZHMDU-FEAFQJFKSA-N	0	2	286.288	-2.305	40	30		CAEBLN
Nc1nonc1C(=O)NCCN/C(=N/O)c1nonc1N	ZINC000004682793	169997760	/nfs/dbraw/zinc/99/77/60/169997760.db2.gz	JMTLTOFSLWEIMD-UHFFFAOYSA-N	0	2	297.235	-2.228	40	30		CAEBLN
COCCNC(=O)C1C(=O)N(CCOC)C(=O)/C1=N\N	ZINC000104273827	372902631	/nfs/dbraw/zinc/90/26/31/372902631.db2.gz	HUHKGWBVZZHMDU-GIJHHBAFSA-N	0	2	286.288	-2.305	40	30		CAEBLN
O=C1NN=C(n2nc3ccc([N+](=O)[O-])cc3[n+]2[O-])/C1=N/O	ZINC000016431386	304680047	/nfs/dbraw/zinc/68/00/47/304680047.db2.gz	KQVHNEBSVGNHEQ-UHFFFAOYSA-N	0	2	291.183	-1.301	40	30		CAEBLN