smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1C[C@H](C)CCN(S(=O)(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1	ZINC000159679953	488786948	/nfs/dbraw/zinc/78/69/48/488786948.db2.gz	BUUDQTQYXOWMEY-NXEZZACHSA-N	0	2	352.416	0.668	20	70		FCIDLN
COc1cc(CNC(=O)c2nc(=O)[nH][nH]2)cc(Br)c1OC	ZINC000160317053	488790473	/nfs/dbraw/zinc/79/04/73/488790473.db2.gz	WZQPTIGCDJGRJB-UHFFFAOYSA-N	0	2	357.164	0.808	20	70		FCIDLN
C[C@H](O)C[C@@H](CNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)c1ccccc1	ZINC000159880897	488787811	/nfs/dbraw/zinc/78/78/11/488787811.db2.gz	YSRAXUZZICPMEO-AAEUAGOBSA-N	0	2	368.393	0.896	20	70		FCIDLN
Cc1ccc(Br)cc1NC(=O)CNC(=O)c1nc(=O)[nH][nH]1	ZINC000160317858	488790247	/nfs/dbraw/zinc/79/02/47/488790247.db2.gz	MMZCEKCTRGLFSV-UHFFFAOYSA-N	0	2	354.164	0.537	20	70		FCIDLN
C[C@@H](O)C[C@@H](CNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)c1ccccc1	ZINC000159881046	488787918	/nfs/dbraw/zinc/78/79/18/488787918.db2.gz	YSRAXUZZICPMEO-YPMHNXCESA-N	0	2	368.393	0.896	20	70		FCIDLN
Cc1ccc(-c2nc(NC(=O)c3c[nH]c4nc(=O)[nH]c(=O)c-4c3)n[nH]2)o1	ZINC000160376705	488791123	/nfs/dbraw/zinc/79/11/23/488791123.db2.gz	SHPJRKMBZXXZAH-UHFFFAOYSA-N	0	2	353.298	0.550	20	70		FCIDLN
Cn1cc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)cc1C(N)=O	ZINC000160282136	488790365	/nfs/dbraw/zinc/79/03/65/488790365.db2.gz	PBEQKJQLUGBWQP-UHFFFAOYSA-N	0	2	351.310	0.684	20	70		FCIDLN
O=c1nc2[nH]cc(S(=O)(=O)N3CCC[C@H]4CCCC[C@H]43)cc-2c(=O)[nH]1	ZINC000159460905	488785078	/nfs/dbraw/zinc/78/50/78/488785078.db2.gz	VYYUOXKTULFIFO-ZWNOBZJWSA-N	0	2	364.427	0.955	20	70		FCIDLN
C[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C[C@H](C)C1	ZINC000159680112	488786915	/nfs/dbraw/zinc/78/69/15/488786915.db2.gz	BUUDQTQYXOWMEY-VHSXEESVSA-N	0	2	352.416	0.668	20	70		FCIDLN
C[C@H](O)C[C@H](CNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)c1ccccc1	ZINC000159881166	488787743	/nfs/dbraw/zinc/78/77/43/488787743.db2.gz	YSRAXUZZICPMEO-WCQYABFASA-N	0	2	368.393	0.896	20	70		FCIDLN
CN(CCOCc1ccccc1)C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000161466477	488797233	/nfs/dbraw/zinc/79/72/33/488797233.db2.gz	CGGOSICRWSZIQX-UHFFFAOYSA-N	0	2	354.366	0.900	20	70		FCIDLN
C[C@@H](O)C[C@H](CNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)c1ccccc1	ZINC000159881288	488787790	/nfs/dbraw/zinc/78/77/90/488787790.db2.gz	YSRAXUZZICPMEO-DGCLKSJQSA-N	0	2	368.393	0.896	20	70		FCIDLN
O=C(NCc1n[nH]c(=O)[nH]1)c1cc(Cn2cc(Br)cn2)on1	ZINC000160118704	488789229	/nfs/dbraw/zinc/78/92/29/488789229.db2.gz	OZADIKKTLUZLEY-UHFFFAOYSA-N	0	2	368.151	0.023	20	70		FCIDLN
Cc1[nH]ncc1CCCNC(=O)NCCNS(=O)(=O)c1cccs1	ZINC000160888880	488794311	/nfs/dbraw/zinc/79/43/11/488794311.db2.gz	SPXMXNAFTCIEDK-UHFFFAOYSA-N	0	2	371.488	0.990	20	70		FCIDLN