smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(C(=O)Nc2cnc(N3CC[NH+](CC(=O)NC(C)C)CC3)c(C(=O)[O-])c2)c1	ZINC000064979051	556532996	/nfs/dbraw/zinc/53/29/96/556532996.db2.gz	QMPVEBCHPUJOGC-UHFFFAOYSA-N	0	2	439.516	1.987	10	0		IDAELN
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1F	ZINC000022056624	520231120	/nfs/dbraw/zinc/23/11/20/520231120.db2.gz	WMJHGZFQHPCWQZ-PMKSDBMWSA-N	0	2	443.428	1.902	10	0		IDAELN
CCCNC(=O)C[NH+]1CCN(c2ncc(NC(=O)c3ccccc3)cc2C(=O)[O-])CC1	ZINC000064979035	569078077	/nfs/dbraw/zinc/07/80/77/569078077.db2.gz	QMKFCWOKOMQSDO-UHFFFAOYSA-N	0	2	425.489	1.680	10	0		IDAELN
CN(C)C(=O)C(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc21	ZINC000001911719	562925390	/nfs/dbraw/zinc/92/53/90/562925390.db2.gz	DKMXWAOCNKDQMT-UHFFFAOYSA-N	0	2	425.420	1.456	10	0		IDAELN
O=c1cnn(-c2cc(I)cc(I)c2)c(=O)[nH]1	ZINC000026508750	563033059	/nfs/dbraw/zinc/03/30/59/563033059.db2.gz	RVTUZCOUKJGSAE-UHFFFAOYSA-N	0	2	440.966	1.130	10	0		IDAELN
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)CSc3nncn3C)cc2)s1	ZINC000020213922	556999269	/nfs/dbraw/zinc/99/92/69/556999269.db2.gz	XRZITLYNBUFWIG-UHFFFAOYSA-N	0	2	439.548	1.761	10	0		IDAELN
O=C([O-])COc1nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc2c1CCCC2	ZINC000073709386	527620120	/nfs/dbraw/zinc/62/01/20/527620120.db2.gz	BPGIBELKWZGKOP-UHFFFAOYSA-N	0	2	426.473	1.870	10	0		IDAELN