smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(C(=O)Cc3c(C)c4c([O-])cc([O-])cc4oc3=O)CC2)cc1	ZINC000008792500	571120214	/nfs/dbraw/zinc/12/02/14/571120214.db2.gz	XLVDKXJGUKIUJO-UHFFFAOYSA-N	-2	3	424.453	2.413	50	10	biogenic	HECAHL
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000012932407	569024983	/nfs/dbraw/zinc/02/49/83/569024983.db2.gz	DNAHZJQXJKGXHZ-UHFFFAOYSA-N	-2	3	404.853	2.211	50	10		HECAHL
CCOC(=O)c1ccc(OCC(=O)c2ccc([O-])c(CN3CCOCC3)c2[O-])cc1	ZINC000023135367	559018608	/nfs/dbraw/zinc/01/86/08/559018608.db2.gz	LHONXSAVJJUOMG-UHFFFAOYSA-N	-2	3	415.442	2.368	50	10		HECAHL
CCC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@H]1c1ccc(N(C)C)cc1	ZINC000101495216	560796372	/nfs/dbraw/zinc/79/63/72/560796372.db2.gz	ZMVHRWISIQOAGQ-AWEZNQCLSA-N	-2	3	401.492	2.302	50	10		HECAHL
CCC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@@H]1c1ccc(N(C)C)cc1	ZINC000101495217	560796269	/nfs/dbraw/zinc/79/62/69/560796269.db2.gz	ZMVHRWISIQOAGQ-CQSZACIVSA-N	-2	3	401.492	2.302	50	10		HECAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(I)cc2)ccc1O	ZINC000008834390	560756828	/nfs/dbraw/zinc/75/68/28/560756828.db2.gz	HCABAGBJLLEBKO-UHFFFAOYSA-N	-2	3	419.196	2.496	50	10		HECAHL
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(Br)c1[O-]	ZINC000000967115	557127340	/nfs/dbraw/zinc/12/73/40/557127340.db2.gz	DSTMPHJEFHUXQE-RUDMXATFSA-N	-2	3	404.263	2.449	50	10		HECAHL
O=C1[N-]C(=O)c2cc(-c3ccc(/C=C4/C(=O)[N-]N(c5ccc(F)cc5)C4=O)o3)ccc21	ZINC000006997657	569197234	/nfs/dbraw/zinc/19/72/34/569197234.db2.gz	SLMLGEVIYAMSCR-YVLHZVERSA-N	-2	3	417.352	2.431	50	10		HECAHL
O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000032553939	526798781	/nfs/dbraw/zinc/79/87/81/526798781.db2.gz	VDCXOIXVXMEUKO-UHFFFAOYSA-N	-2	3	405.819	2.161	50	10		HECAHL