smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)oc2c1cc(O)c([O-])c2CN(CCO)CCO	ZINC000000186268	395679941	/nfs/dbraw/zinc/67/99/41/395679941.db2.gz	VQSXXDXNONIOGW-UHFFFAOYSA-N	-1	3	309.318	0.299	40	10	in-man	DCCBHM
[O-]c1cc(O)c(CN2CCOCC2)cc1CN1CCOCC1	ZINC000031637799	395707092	/nfs/dbraw/zinc/70/70/92/395707092.db2.gz	WXVVUTRWEUNGLY-UHFFFAOYSA-N	-1	3	308.378	0.762	40	10		DCCBHM
CC(=O)[N-]C1=NC(=O)/C(=C/c2ccccc2OCC(N)=O)S1	ZINC000408530123	526696849	/nfs/dbraw/zinc/69/68/49/526696849.db2.gz	KTPJGKJARNTQEM-WDZFZDKYSA-N	-1	3	319.342	0.657	40	10		DCCBHM
[O-]c1c(CN2CCOCC2)c(O)cc(O)c1CN1CCOCC1	ZINC000031637802	395707355	/nfs/dbraw/zinc/70/73/55/395707355.db2.gz	ACQNKWYLFKBOGO-UHFFFAOYSA-N	-1	3	324.377	0.468	40	10		DCCBHM
Nc1[nH]c(=O)[n-]c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000104090645	193981531	/nfs/dbraw/zinc/98/15/31/193981531.db2.gz	WFAXTQUMPXIYGS-NXVVXOECSA-N	-1	3	310.295	0.533	40	10		DCCBHM
[O-]c1c(CN2CCOCC2)cc(O)cc1CN1CCOCC1	ZINC000031924404	395708478	/nfs/dbraw/zinc/70/84/78/395708478.db2.gz	MBWBRVQYZKCKNC-UHFFFAOYSA-N	-1	3	308.378	0.762	40	10		DCCBHM
CCOC(=O)C(=N[N-]c1ccc(S(N)(=O)=O)cc1)C(C)=O	ZINC000104296718	395778472	/nfs/dbraw/zinc/77/84/72/395778472.db2.gz	OPFIYHKEUYUKOO-BFWGRDPESA-N	-1	3	313.335	0.938	40	10		DCCBHM
CC(=O)[N-]C1=NC(=O)/C(=C/c2cccc(OCC(N)=O)c2)S1	ZINC000408528986	526696001	/nfs/dbraw/zinc/69/60/01/526696001.db2.gz	GFATUHLLMYVPGA-WDZFZDKYSA-N	-1	3	319.342	0.657	40	10		DCCBHM
CCOC(=O)C(=N[N-]c1ccc(S(N)(=O)=O)cc1)C(C)=O	ZINC000102980200	415606246	/nfs/dbraw/zinc/60/62/46/415606246.db2.gz	OPFIYHKEUYUKOO-ICFTUWFRSA-N	-1	3	313.335	0.938	40	10		DCCBHM
CCOC(=O)C(=N[N-]c1ccc(S(N)(=O)=O)cc1)C(C)=O	ZINC000102980197	415607323	/nfs/dbraw/zinc/60/73/23/415607323.db2.gz	OPFIYHKEUYUKOO-PHIZWAGYSA-N	-1	3	313.335	0.938	40	10		DCCBHM
CCOC(=O)C(=N[N-]c1ccc(S(N)(=O)=O)cc1)C(C)=O	ZINC000104296724	395778481	/nfs/dbraw/zinc/77/84/81/395778481.db2.gz	OPFIYHKEUYUKOO-AKCBPTIMSA-N	-1	3	313.335	0.938	40	10		DCCBHM
O=[N+]([O-])c1cc(CN(CCO)CCO)c([O-])c2ncccc12	ZINC000031349908	395706667	/nfs/dbraw/zinc/70/66/67/395706667.db2.gz	CFRLPKFPYJCLLV-UHFFFAOYSA-N	-1	3	307.306	0.635	40	10		DCCBHM
[O-]c1c(O)cc(CN2CCOCC2)cc1CN1CCOCC1	ZINC000032011226	395709005	/nfs/dbraw/zinc/70/90/05/395709005.db2.gz	JSKHZIXTKOGMHB-UHFFFAOYSA-N	-1	3	308.378	0.762	40	10		DCCBHM