smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)c2c(=O)[n-]c(SCC(=O)c3ccc([O-])c(O)c3)nc2n1	ZINC000008572927	204335443	/nfs/dbraw/zinc/33/54/43/204335443.db2.gz	RDMYXZLESVAHOO-UHFFFAOYSA-N	-2	3	357.391	2.321	50	10		FECAHL
COc1cc([N-]S(=O)(=O)c2ccccc2F)ccc1[N-]S(C)(=O)=O	ZINC000032088212	539928954	/nfs/dbraw/zinc/92/89/54/539928954.db2.gz	OINZTGMGXLXMMK-UHFFFAOYSA-N	-2	3	374.415	2.007	50	10		FECAHL
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(NC(C)=O)c2)cc1OC	ZINC000032912818	539958560	/nfs/dbraw/zinc/95/85/60/539958560.db2.gz	KOOGVSVZZXJRJY-UHFFFAOYSA-N	-2	3	366.395	2.169	50	10		FECAHL
O=C([O-])CN1C(=O)/C(=C\c2cc(Br)ccc2[O-])SC1=S	ZINC000003155620	204080965	/nfs/dbraw/zinc/08/09/65/204080965.db2.gz	BSZLOMZFCOIGIW-RUDMXATFSA-N	-2	3	374.237	2.441	50	10		FECAHL
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3[O-])C2=O)cc1	ZINC000000755198	132378312	/nfs/dbraw/zinc/37/83/12/132378312.db2.gz	HYEXRLOGSDUECS-KAMYIIQDSA-N	-2	3	351.362	2.125	50	10		FECAHL
O=C([O-])c1csc(N2N=C(c3ccccc3[O-])C[C@@]2(O)C(F)(F)F)n1	ZINC000005243379	210082389	/nfs/dbraw/zinc/08/23/89/210082389.db2.gz	TYKQXPJAQZRLBQ-CYBMUJFWSA-N	-2	3	373.312	2.412	50	10		FECAHL
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(Cl)c1[O-]	ZINC000001203479	210333084	/nfs/dbraw/zinc/33/30/84/210333084.db2.gz	KUIWEMNAWDTKLV-RUDMXATFSA-N	-2	3	359.812	2.340	50	10		FECAHL
O=C([O-])c1csc(N2N=C(c3ccccc3[O-])C[C@]2(O)C(F)(F)F)n1	ZINC000005243383	539406249	/nfs/dbraw/zinc/40/62/49/539406249.db2.gz	TYKQXPJAQZRLBQ-ZDUSSCGKSA-N	-2	3	373.312	2.412	50	10		FECAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)ccc1O	ZINC000003884917	539373413	/nfs/dbraw/zinc/37/34/13/539373413.db2.gz	NVJQJPNTFUDJBM-UHFFFAOYSA-N	-3	3	371.754	2.243	50	10		FECAHL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc2c(c1)C(=O)[N-]C2=O	ZINC000101140772	570817119	/nfs/dbraw/zinc/81/71/19/570817119.db2.gz	SWQYQAAUXGWTKJ-CXUHLZMHSA-N	-2	3	364.336	2.428	50	10		FECAHL
COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1[N-]S(C)(=O)=O	ZINC000032088081	539929190	/nfs/dbraw/zinc/92/91/90/539929190.db2.gz	QFRJUSVKSPITHV-UHFFFAOYSA-N	-2	3	370.452	2.176	50	10		FECAHL