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)n2nc(CC(=O)NCCCc3nnc4ccccn43)[n-]c2n1	ZINC000218430539	525339033	/nfs/dbraw/zinc/33/90/33/525339033.db2.gz	YCJCLNJWDYSJMW-UHFFFAOYSA-N	-1	0	366.385	0.473	50	70		FCIARM
Cc1nn2c([n-]1)nc(C)c(CCC(=O)N[C@H](CO)Cc1ccccc1)c2=O	ZINC000218497045	527090097	/nfs/dbraw/zinc/09/00/97/527090097.db2.gz	KRMLYOSAMSAROE-HNNXBMFYSA-N	-1	0	369.425	0.687	50	70		FCIARM
Cc1cc(=O)n2nc(CCC(=O)N[C@H](CO)Cc3ccccc3)[n-]c2n1	ZINC000218434024	526142112	/nfs/dbraw/zinc/14/21/12/526142112.db2.gz	JQHZPPGSGLWECD-AWEZNQCLSA-N	-1	0	355.398	0.378	50	70		FCIARM
Cc1nn2c([n-]1)nc(C)c(CCC(=O)N[C@H](CO)c1ccccc1)c2=O	ZINC000218548006	527091025	/nfs/dbraw/zinc/09/10/25/527091025.db2.gz	DTTUQMXDUYWXPF-OAHLLOKOSA-N	-1	0	355.398	0.817	50	70		FCIARM
O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCN(c2cnccn2)CC1	ZINC000217618546	132272485	/nfs/dbraw/zinc/27/24/85/132272485.db2.gz	IEXBARLVLDAHGG-UHFFFAOYSA-N	-1	0	350.382	0.918	50	70		FCIARM
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CC[C@H](O)C2)cn1	ZINC000217976756	488442921	/nfs/dbraw/zinc/44/29/21/488442921.db2.gz	LOIMCZPSCHHYJY-NSHDSACASA-N	-1	0	374.426	0.735	50	70		FCIARM
CSCC[C@@H](CO)NC(=O)CCc1c(C)nc2[n-]c(C)nn2c1=O	ZINC000218462571	525526797	/nfs/dbraw/zinc/52/67/97/525526797.db2.gz	JOKUBRNOORJBQC-NSHDSACASA-N	-1	0	353.448	0.197	50	70		FCIARM
Cn1c(CCCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)nc2ccccc21	ZINC000218603567	488443209	/nfs/dbraw/zinc/44/32/09/488443209.db2.gz	DCOGLYASXNDMCN-UHFFFAOYSA-N	-1	0	356.386	0.439	50	70		FCIARM
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CC[C@@H](O)C2)cn1	ZINC000217976835	488442819	/nfs/dbraw/zinc/44/28/19/488442819.db2.gz	LOIMCZPSCHHYJY-LLVKDONJSA-N	-1	0	374.426	0.735	50	70		FCIARM
O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1	ZINC000218490422	526815584	/nfs/dbraw/zinc/81/55/84/526815584.db2.gz	RDZAOBRRZRFGIF-QMMMGPOBSA-N	-1	0	356.308	0.655	50	70		FCIARM
Cc1cc(=O)n2nc(CC(=O)NCCc3nc4c(c(C)n3)CCC4)[n-]c2n1	ZINC000216996515	525339332	/nfs/dbraw/zinc/33/93/32/525339332.db2.gz	BKJXRSXZVWXFKX-UHFFFAOYSA-N	-1	0	367.413	0.627	50	70		FCIARM
O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1	ZINC000218490343	526815504	/nfs/dbraw/zinc/81/55/04/526815504.db2.gz	RDZAOBRRZRFGIF-MRVPVSSYSA-N	-1	0	356.308	0.655	50	70		FCIARM
Cc1cc(=O)n2nc(CC(=O)NCCCn3c(C)cccc3=O)[n-]c2n1	ZINC000216924451	525340177	/nfs/dbraw/zinc/34/01/77/525340177.db2.gz	BGXJXEXFULKFBL-UHFFFAOYSA-N	-1	0	356.386	0.357	50	70		FCIARM
O=C(Cc1cc(=O)[nH][n-]c1=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1	ZINC000218122701	527207499	/nfs/dbraw/zinc/20/74/99/527207499.db2.gz	NJPBEWIENMECJS-HUUCEWRRSA-N	-1	0	359.382	0.096	50	70		FCIARM