smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(CN(C)C(=O)CN2CCOC[C@@H]2C(N)=O)cc1	ZINC000092421505	376452301	/nfs/dbraw/zinc/45/23/01/376452301.db2.gz	WPNZBLGMLURIFY-OAHLLOKOSA-N	0	0	334.420	-0.103	10	10		EBCERN
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CNC(=O)N3)cc2)C1	ZINC000089787752	379745802	/nfs/dbraw/zinc/74/58/02/379745802.db2.gz	XAQDFJQTLXUHQM-JSGCOSHPSA-N	0	0	345.403	-0.314	10	10		EBCERN
Cc1nonc1[N+](=O)[N-]C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000103534825	534972357	/nfs/dbraw/zinc/97/23/57/534972357.db2.gz	ROZVEMYHBKSDHR-YFHOEESVSA-N	0	0	335.145	-0.407	10	10		EBCERN
COC(OC)[C@@H]1O[C@@H](CN=[N+]=[N-])[C@H](n2cc(C)c(=O)[nH]c2=O)[C@H]1O	ZINC000585139030	377391174	/nfs/dbraw/zinc/39/11/74/377391174.db2.gz	YDCDJYVMXCQQTH-AXTSPUMRSA-N	0	0	341.324	-0.144	10	10		EBCERN
CCOC(=O)[C@]12CN(N(C)C)C(=O)[C@]1(N)N(C)c1ccc(OC)cc12	ZINC000032105677	381204092	/nfs/dbraw/zinc/20/40/92/381204092.db2.gz	QSWQKVYWGPWECO-SJORKVTESA-N	0	0	348.403	-0.080	10	10		EBCERN
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CNC(=O)N3)cc2)C1	ZINC000229805682	242200414	/nfs/dbraw/zinc/20/04/14/242200414.db2.gz	XAQDFJQTLXUHQM-OCCSQVGLSA-N	0	0	345.403	-0.314	10	10		EBCERN
CCOC(=O)[C@@]12CN(N(C)C)C(=O)[C@]1(N)N(C)c1ccc(OC)cc12	ZINC000032105675	381204116	/nfs/dbraw/zinc/20/41/16/381204116.db2.gz	QSWQKVYWGPWECO-IRXDYDNUSA-N	0	0	348.403	-0.080	10	10		EBCERN
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CNC(=O)N3)cc2)C1	ZINC000089787753	379745766	/nfs/dbraw/zinc/74/57/66/379745766.db2.gz	XAQDFJQTLXUHQM-GXTWGEPZSA-N	0	0	345.403	-0.314	10	10		EBCERN
CCOC(=O)[C@@]12CN(N(C)C)C(=O)[C@@]1(N)N(C)c1ccc(OC)cc12	ZINC000032105670	376042614	/nfs/dbraw/zinc/04/26/14/376042614.db2.gz	QSWQKVYWGPWECO-DLBZAZTESA-N	0	0	348.403	-0.080	10	10		EBCERN
CN(C)c1ccc(CN(C)C(=O)CN2CCOC[C@H]2C(N)=O)cc1	ZINC000092421507	376450591	/nfs/dbraw/zinc/45/05/91/376450591.db2.gz	WPNZBLGMLURIFY-HNNXBMFYSA-N	0	0	334.420	-0.103	10	10		EBCERN
CCOC(=O)[C@]12CN(N(C)C)C(=O)[C@@]1(N)N(C)c1ccc(OC)cc12	ZINC000032105672	381204193	/nfs/dbraw/zinc/20/41/93/381204193.db2.gz	QSWQKVYWGPWECO-IAGOWNOFSA-N	0	0	348.403	-0.080	10	10		EBCERN
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CNC(=O)N3)cc2)C1	ZINC000252513049	379840571	/nfs/dbraw/zinc/84/05/71/379840571.db2.gz	XAQDFJQTLXUHQM-TZMCWYRMSA-N	0	0	345.403	-0.314	10	10		EBCERN