smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(CC)Cc1nc(=O)c2sccc2[nH]1	ZINC001286780518	1060923100	/nfs/dbraw/zinc/92/31/00/1060923100.db2.gz	XGIMJGPGCOKUNI-UHFFFAOYSA-N	0	2	479.566	2.993	20	30		JFEDLN
N#Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cnc1C(F)(F)F	ZINC001295156023	1062978142	/nfs/dbraw/zinc/97/81/42/1062978142.db2.gz	WRCXCXCVIIYCES-UHFFFAOYSA-N	0	2	454.415	2.877	20	30		JFEDLN
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ncc(Br)cc2O)cc1	ZINC001291651271	1064204665	/nfs/dbraw/zinc/20/46/65/1064204665.db2.gz	ZDGSTXLFPWFKMK-QNGOZBTKSA-N	0	2	453.318	2.615	20	30		JFEDLN
C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(CC)Cc1nc(=O)c2sccc2[nH]1	ZINC001286784075	1060937080	/nfs/dbraw/zinc/93/70/80/1060937080.db2.gz	VVNFFAJVOGNAHR-UHFFFAOYSA-N	0	2	479.566	2.993	20	30		JFEDLN
C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(CC)Cc1nc(=O)c2sccc2[nH]1	ZINC001286782922	1060931509	/nfs/dbraw/zinc/93/15/09/1060931509.db2.gz	HTCQHMOHIFIRLG-UHFFFAOYSA-N	0	2	453.528	2.886	20	30		JFEDLN
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ncc(Br)cc2O)cc1	ZINC001291651273	1064204771	/nfs/dbraw/zinc/20/47/71/1064204771.db2.gz	ZDGSTXLFPWFKMK-RCCKNPSSSA-N	0	2	453.318	2.615	20	30		JFEDLN
C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(CC)Cc1nc(=O)c2sccc2[nH]1	ZINC001286787528	1060945132	/nfs/dbraw/zinc/94/51/32/1060945132.db2.gz	VXWZBEJLXVQTEH-UHFFFAOYSA-N	0	2	464.555	2.688	20	30		JFEDLN
CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2Br)S(=O)(=O)CC3)cc1C#N	ZINC001287484389	1062939587	/nfs/dbraw/zinc/93/95/87/1062939587.db2.gz	CYGSBYVVUFAPIL-UHFFFAOYSA-N	0	2	454.327	2.725	20	30		JFEDLN