smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(F)c2[n-]cc(-c3nn[n-]n3)c(=O)c2c1	ZINC000095331949	178075482	/nfs/dbraw/zinc/07/54/82/178075482.db2.gz	JKBVRVGPNXNCIW-UHFFFAOYSA-N	-2	3	245.217	1.156	1	0		BDAFHL
CC(C)(C)c1cc2nc(=S)[n-]c(=O)n2[n-]1	ZINC000096922747	188147555	/nfs/dbraw/zinc/14/75/55/188147555.db2.gz	DCWAJKBRVZWXPQ-UHFFFAOYSA-N	-2	3	224.289	1.004	1	0		BDAFHL
Cc1cccc2c(=O)n3[n-]c(C(=O)[O-])cc3nc12	ZINC000100978452	179211768	/nfs/dbraw/zinc/21/17/68/179211768.db2.gz	BGLLUAQLYGATTJ-UHFFFAOYSA-N	-2	3	243.222	1.595	1	0		BDAFHL
CCC(=O)c1c([O-])cc([O-])c(C(=O)CC)c1O	ZINC000013650344	168253460	/nfs/dbraw/zinc/25/34/60/168253460.db2.gz	MAULNQUCMOQLDU-UHFFFAOYSA-N	-2	3	238.239	1.989	1	0		BDAFHL
O=C(c1cc(O)ccc1[O-])c1c([O-])cccc1[O-]	ZINC000095485902	290761005	/nfs/dbraw/zinc/76/10/05/290761005.db2.gz	YYZAKQYFXDJLTA-UHFFFAOYSA-N	-3	3	246.218	1.740	1	0	biogenic,in-vitro	BDAFHL
O=c1[n-]c(=S)nc2cc(C(F)(F)F)[n-]n21	ZINC000096928231	188502125	/nfs/dbraw/zinc/50/21/25/188502125.db2.gz	IHUMNWLSVTXKRF-UHFFFAOYSA-N	-2	3	236.178	1.137	1	0		BDAFHL
CCCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000013539382	581097922	/nfs/dbraw/zinc/09/79/22/581097922.db2.gz	HOWTZHBAEIAYRZ-UHFFFAOYSA-N	-4	3	246.136	1.248	1	0		BDAFHL
COc1c([O-])c(C=O)c([O-])c(Cl)c1C(C)=O	ZINC000013307133	290759010	/nfs/dbraw/zinc/75/90/10/290759010.db2.gz	XMSVMWOBRGAQCN-UHFFFAOYSA-N	-2	3	244.630	1.775	1	0	biogenic,in-vitro	BDAFHL
Cc1cccc2c(=O)c(-c3nn[n-]n3)c[n-]c12	ZINC000095213989	179207815	/nfs/dbraw/zinc/20/78/15/179207815.db2.gz	KZVBRHAMYNZDQA-UHFFFAOYSA-N	-2	3	227.227	1.017	1	0		BDAFHL
O=C(CP(=O)([O-])[O-])OC1CCCCC1	ZINC000031439992	182006702	/nfs/dbraw/zinc/00/67/02/182006702.db2.gz	QMRILZGPVAIQIT-UHFFFAOYSA-N	-2	3	222.177	1.040	1	0		BDAFHL
O=c1c2n[n-]nc2oc2cc([O-])ccc21	ZINC000101471206	183279102	/nfs/dbraw/zinc/27/91/02/183279102.db2.gz	YQVKVNVMJDICSX-UHFFFAOYSA-N	-2	3	203.157	1.134	1	0		BDAFHL