smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2cc([C@H](C)C(=O)NCc3n[nH]c(=O)[nH]3)ccc2c1	ZINC000217074675	241234816	/nfs/dbraw/zinc/23/48/16/241234816.db2.gz	BUVPODMQAITVNY-JTQLQIEISA-N	0	2	326.356	1.680	50	70		EDIALN
COC[C@@H]1[C@H](NC(=O)c2c[nH]c3ccc(F)cc3c2=O)[C@@H]2CCO[C@H]12	ZINC000218581381	241332154	/nfs/dbraw/zinc/33/21/54/241332154.db2.gz	BCSBOCOPOFRCPN-KVQMYJSTSA-N	0	2	346.358	1.859	50	70		EDIALN
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCc1n[nH]c(=O)[nH]1)O2	ZINC000217741221	241272640	/nfs/dbraw/zinc/27/26/40/241272640.db2.gz	OGAIGAZRJWEAPC-QGZVFWFLSA-N	0	2	346.387	1.129	50	70		EDIALN
C[NH+]1CCN([C@@H](c2ccsc2)c2sc3ncnn3c2[O-])CC1	ZINC000218467425	290054625	/nfs/dbraw/zinc/05/46/25/290054625.db2.gz	YYGJFGONSIIQNX-NSHDSACASA-N	0	2	335.458	1.895	50	70		EDIALN
CC(=O)N1c2ccc(S(=O)(=O)Nc3nncs3)cc2C[C@H]1C	ZINC000160589865	278076535	/nfs/dbraw/zinc/07/65/35/278076535.db2.gz	QYBRMLSQJUGPNE-MRVPVSSYSA-N	0	2	338.414	1.636	50	70		EDIALN
Cc1noc(C)c1S(=O)(=O)Nc1cnn(CC2CCOCC2)c1	ZINC000218241717	443058199	/nfs/dbraw/zinc/05/81/99/443058199.db2.gz	CDARRHYTBXUKEJ-UHFFFAOYSA-N	0	2	340.405	1.715	50	70		EDIALN
O=C(CCc1cc(=O)[nH]o1)N[C@@H]1COCC[C@H]1Oc1ccccn1	ZINC000218742059	241340285	/nfs/dbraw/zinc/34/02/85/241340285.db2.gz	KQWVQHXDXHGTBI-CHWSQXEVSA-N	0	2	333.344	1.061	50	70		EDIALN
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCc1n[nH]c(=O)[nH]1)O2	ZINC000217741139	241273471	/nfs/dbraw/zinc/27/34/71/241273471.db2.gz	OGAIGAZRJWEAPC-KRWDZBQOSA-N	0	2	346.387	1.129	50	70		EDIALN
CN(Cc1nc(=O)c2sccc2[nH]1)c1ncc(C(N)=O)cc1Cl	ZINC000160635562	441904841	/nfs/dbraw/zinc/90/48/41/441904841.db2.gz	KLNLVSIPOQDXBA-UHFFFAOYSA-N	0	2	349.803	1.768	50	70		EDIALN
CC[C@@H](O)c1cc2n(n1)CCN(Cc1nc(=O)c3sccc3[nH]1)C2	ZINC000217826616	241277444	/nfs/dbraw/zinc/27/74/44/241277444.db2.gz	BIGLRMHZRWSYCY-CYBMUJFWSA-N	0	2	345.428	1.640	50	70		EDIALN
Cc1ncsc1CCCNC(=O)Cc1nn2c(nc(C)cc2=O)[nH]1	ZINC000217046092	241232652	/nfs/dbraw/zinc/23/26/52/241232652.db2.gz	UUWBKTIWMDTJHW-UHFFFAOYSA-N	0	2	346.416	1.195	50	70		EDIALN