smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c([C@H](c2ccc(Cl)cc2Cl)[NH+]2CCCC2)ccc2cccnc21	ZINC000005556319	207104882	/nfs/dbraw/zinc/10/48/82/207104882.db2.gz	FMTVQXNHIXBWER-IBGZPJMESA-N	-1	1	373.283	5.432	40	10		FKCBMM
[O-]c1c2c(c(O)c3ccccc13)C1(N=N2)c2ccccc2Oc2ccccc21	ZINC000005742281	204223052	/nfs/dbraw/zinc/22/30/52/204223052.db2.gz	YFMCYRZSEQIRKF-UHFFFAOYSA-N	-1	1	366.376	5.746	40	10		FKCBMM
O=C1[N-]C(=S)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)S1	ZINC000013615146	570837415	/nfs/dbraw/zinc/83/74/15/570837415.db2.gz	SJRDTJBKSXWVJM-WDZFZDKYSA-N	-1	1	356.255	5.378	40	10		FKCBMM
CC(C)(C)c1ccc2oc3cc([O-])c4c(c3c2c1)C(=O)c1ccccc1C4=O	ZINC000015109881	571201373	/nfs/dbraw/zinc/20/13/73/571201373.db2.gz	JAWCSZAVNKLTAA-UHFFFAOYSA-N	-1	1	370.404	5.365	40	10		FKCBMM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cccc2ccccc21	ZINC000103919061	570772308	/nfs/dbraw/zinc/77/23/08/570772308.db2.gz	FAWDCJKGPYDTMA-QJOMJCCJSA-N	-1	1	369.468	5.729	40	10		FKCBMM
CC(=Nc1cccc2ccccc21)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O	ZINC000112115910	570810309	/nfs/dbraw/zinc/81/03/09/570810309.db2.gz	ARKHLUSPTFCTJW-STZFKDTASA-N	-1	1	359.404	5.088	40	10		FKCBMM
CC(=Nc1ccc(Cl)c(Cl)c1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000112116268	570810436	/nfs/dbraw/zinc/81/04/36/570810436.db2.gz	IHGJXGAJPGKFHV-BOPFTXTBSA-N	-1	1	360.244	5.102	40	10		FKCBMM
CC(=Nc1cc(Cl)cc(Cl)c1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000112116276	570810293	/nfs/dbraw/zinc/81/02/93/570810293.db2.gz	NUCSPDXCFMWLIR-BOPFTXTBSA-N	-1	1	360.244	5.102	40	10		FKCBMM
CC(=Nc1ccccc1-c1ccccc1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000112117808	570810893	/nfs/dbraw/zinc/81/08/93/570810893.db2.gz	VKYSABNAWHOBBB-QJOMJCCJSA-N	-1	1	367.452	5.462	40	10		FKCBMM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(Cl)c(F)c1	ZINC000112118764	570810804	/nfs/dbraw/zinc/81/08/04/570810804.db2.gz	ACLXOSWFIOJTAZ-UYRXBGFRSA-N	-1	1	371.843	5.368	40	10		FKCBMM