smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccc(F)cc2)[nH]c1=O	ZINC000102971585	222316659	/nfs/dbraw/zinc/31/66/59/222316659.db2.gz	SNILWDIEKARQSB-SFGFDRCGSA-N	0	2	354.385	0.881	1	0		FCAFLN
C[NH+]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3CCF)CC1	ZINC000026818299	132377976	/nfs/dbraw/zinc/37/79/76/132377976.db2.gz	FQXWRYWIELRCDO-UHFFFAOYSA-N	0	2	352.341	0.955	1	0		FCAFLN
O=c1[nH]c(=O)c(Cl)c(CSc2nc(=O)n3ncc(Cl)c3[nH]2)[nH]1	ZINC000103288850	209251924	/nfs/dbraw/zinc/25/19/24/209251924.db2.gz	GIJWRBQDZOHCGG-UHFFFAOYSA-N	0	2	361.170	0.393	1	0		FCAFLN
CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2cccc(O)c2)[nH]c1=O	ZINC000034987850	208117415	/nfs/dbraw/zinc/11/74/15/208117415.db2.gz	DGMFZDDDSZNGLR-SFGFDRCGSA-N	0	2	352.394	0.447	1	0		FCAFLN
NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)cc(F)c2F)s1	ZINC000013561058	211039666	/nfs/dbraw/zinc/03/96/66/211039666.db2.gz	WIPFLAIFCHZLJT-UHFFFAOYSA-N	0	2	356.282	0.994	1	0		FCAFLN
COc1cnc(OC)n2nc(NS(=O)(=O)c3ccccc3OC)nc12	ZINC000103195669	222324601	/nfs/dbraw/zinc/32/46/01/222324601.db2.gz	QOIVYTBTANOGEV-UHFFFAOYSA-N	0	2	365.371	0.951	1	0		FCAFLN
CN1CCn2c1c(C(=O)[O-])c(=O)c1cc(F)c(N3CC[NH+](C)CC3)nc12	ZINC000026153223	132914954	/nfs/dbraw/zinc/91/49/54/132914954.db2.gz	BBJLRGDLFNYXJB-UHFFFAOYSA-N	0	2	361.377	0.435	1	0		FCAFLN
CCCCCOC(=O)Nc1nc(=O)n([C@H]2O[C@H](C)[C@@H](O)[C@@H]2O)cc1F	ZINC000011616163	210101295	/nfs/dbraw/zinc/10/12/95/210101295.db2.gz	GAGWJHPBXLXJQN-GOONRYMUSA-N	0	2	359.354	0.760	1	0		FCAFLN
CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccccc2O)[nH]c1=O	ZINC000102976563	222316263	/nfs/dbraw/zinc/31/62/63/222316263.db2.gz	NAIDWMQNEMKDCT-QKPPEBSVSA-N	0	2	352.394	0.447	1	0		FCAFLN
CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccccc2F)[nH]c1=O	ZINC000102973213	222316904	/nfs/dbraw/zinc/31/69/04/222316904.db2.gz	XUFDLZRFGYSRTB-SFGFDRCGSA-N	0	2	354.385	0.881	1	0		FCAFLN
O=C([O-])C1(n2cc[nH+]c2)CCN(S(=O)(=O)N2CCCCCC2)CC1	ZINC000072419464	663525236	/nfs/dbraw/zinc/52/52/36/663525236.db2.gz	BZHVSTIIOJGWRA-UHFFFAOYSA-N	0	2	356.448	0.880	1	0		FCAFLN
COc1ccc(S(=O)(=O)N2Cc3[nH+]cn(C)c3C[C@@H]2C(=O)[O-])cc1	ZINC000013797688	220094673	/nfs/dbraw/zinc/09/46/73/220094673.db2.gz	FSKXYSMYBLXDDL-CQSZACIVSA-N	0	2	351.384	0.629	1	0		FCAFLN
Cc1c2c(cc(=O)n1Cc1ccccn1)[n-]n(CC[NH+]1CCOCC1)c2=O	ZINC000064454129	221145710	/nfs/dbraw/zinc/14/57/10/221145710.db2.gz	XMRUVYQDUHQGKP-UHFFFAOYSA-N	0	2	369.425	0.575	1	0		FCAFLN