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@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(O)=CC(=O)OCCC(=O)[O-]	ZINC000118914429	557405163	/nfs/dbraw/zinc/40/51/63/557405163.db2.gz	YROMDMSNNUQLRC-XHTVEQNMSA-N	-1	1	446.540	3.082	10	30		IGEEMM
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(O)=CC(=O)OCCC(=O)[O-]	ZINC000103529026	557315971	/nfs/dbraw/zinc/31/59/71/557315971.db2.gz	YROMDMSNNUQLRC-LJSGUCQSSA-N	-1	1	446.540	3.082	10	30		IGEEMM
Cc1cc(C)n(C(=O)CSc2nnc(NN=Cc3cccc(Br)c3)[n-]2)n1	ZINC000020352966	557009479	/nfs/dbraw/zinc/00/94/79/557009479.db2.gz	XJNFOTXOJLDIMS-QGMBQPNBSA-N	-1	1	434.323	3.259	10	30		IGEEMM
O=C(CSc1nnc(NN=Cc2cccc(Br)c2)[n-]1)Nc1nccs1	ZINC000020436762	557016552	/nfs/dbraw/zinc/01/65/52/557016552.db2.gz	HVKUQAMUDNQAGV-REZTVBANSA-N	-1	1	438.336	3.201	10	30		IGEEMM
CC(C)(C)OC(=O)N=c1[nH]c(C(=NOC(C)(C)C(=O)OC(C)(C)C)C(=O)[O-])cs1	ZINC000095934775	518844977	/nfs/dbraw/zinc/84/49/77/518844977.db2.gz	ANFLTTZTVMOFFU-NHDPSOOVSA-N	-1	1	429.495	3.416	10	30		IGEEMM
N#CCCN(C(=O)CSc1nc(-c2ccccc2F)nc2cc(=O)[n-]n21)c1ccccc1	ZINC000041108698	526450476	/nfs/dbraw/zinc/45/04/76/526450476.db2.gz	LHBWVZIVJNCNSJ-UHFFFAOYSA-N	-1	1	448.483	3.263	10	30		IGEEMM
CC(=O)Nc1ccccc1NC(=O)CSc1nnc(NN=C(C)c2cccs2)[n-]1	ZINC000020159929	556993368	/nfs/dbraw/zinc/99/33/68/556993368.db2.gz	AHDFOTGLTPVVLZ-SSDVNMTOSA-N	-1	1	429.531	3.392	10	30		IGEEMM