smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H](CC(C)=O)CS(=O)(=O)C=C([O-])C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000005809622	568735650	/nfs/dbraw/zinc/73/56/50/568735650.db2.gz	RWZKBLVYKXKTOO-LLVKDONJSA-N	-1	0	414.392	0.286	40	5		HCBBRM
Cc1cc(=O)c2c([O-])c3c(cccc3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1	ZINC000006069586	569039327	/nfs/dbraw/zinc/03/93/27/569039327.db2.gz	SBVZTBIAKFTNIJ-CZNQJBLBSA-N	-1	0	404.371	0.139	40	5	biogenic	HCBBRM
COC(=O)[C@@H](CC(C)=O)CS(=O)(=O)C=C([O-])C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000008653523	571098179	/nfs/dbraw/zinc/09/81/79/571098179.db2.gz	RWZKBLVYKXKTOO-NSHDSACASA-N	-1	0	414.392	0.286	40	5		HCBBRM
C[C@H](NC(=O)CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000015722289	568976873	/nfs/dbraw/zinc/97/68/73/568976873.db2.gz	ODADHBYAFURJLG-FZMZJTMJSA-N	-1	0	406.395	0.894	40	5		HCBBRM
COC(=O)c1ccc(N(C)CCC(=O)CNc2nc(N)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000017428785	569292274	/nfs/dbraw/zinc/29/22/74/569292274.db2.gz	CUZNFKROILMPBQ-UHFFFAOYSA-N	-1	0	404.383	0.554	40	5		HCBBRM
O=C(CN1C(=O)S[C@@H]([C@H]2SC(=O)[N-]C2=O)C1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000065090529	569391128	/nfs/dbraw/zinc/39/11/28/569391128.db2.gz	KJKWGOMNOILSNB-ZJUUUORDSA-N	-1	0	410.389	0.949	40	5		HCBBRM
O=C(CN1C(=O)S[C@H]([C@H]2SC(=O)[N-]C2=O)C1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000065090530	569391154	/nfs/dbraw/zinc/39/11/54/569391154.db2.gz	KJKWGOMNOILSNB-NXEZZACHSA-N	-1	0	410.389	0.949	40	5		HCBBRM
O=C(CN1C(=O)S[C@@H]([C@@H]2SC(=O)[N-]C2=O)C1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000101375912	560793036	/nfs/dbraw/zinc/79/30/36/560793036.db2.gz	KJKWGOMNOILSNB-UWVGGRQHSA-N	-1	0	410.389	0.949	40	5		HCBBRM
O=C(CN1C(=O)S[C@H]([C@@H]2SC(=O)[N-]C2=O)C1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000101375914	560792990	/nfs/dbraw/zinc/79/29/90/560792990.db2.gz	KJKWGOMNOILSNB-VHSXEESVSA-N	-1	0	410.389	0.949	40	5		HCBBRM
COC(=O)C(=O)C(C(=O)OC)=C([O-])C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000102957816	560835815	/nfs/dbraw/zinc/83/58/15/560835815.db2.gz	DADXGQMAOSSLEK-QMMMGPOBSA-N	-1	0	421.145	0.941	40	5		HCBBRM
COC(=O)C(=O)C(C(=O)OC)=C([O-])C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000102957819	560835808	/nfs/dbraw/zinc/83/58/08/560835808.db2.gz	DADXGQMAOSSLEK-MRVPVSSYSA-N	-1	0	421.145	0.941	40	5		HCBBRM
O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)c1c([O-])[nH]c(=S)[nH]c1=O	ZINC000102970990	560836183	/nfs/dbraw/zinc/83/61/83/560836183.db2.gz	VKYZUTWNVKMMBR-UHFFFAOYSA-N	-1	0	405.175	0.556	40	5		HCBBRM
O=C([O-])c1cnc(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)[nH]c1=O	ZINC000224968566	569312228	/nfs/dbraw/zinc/31/22/28/569312228.db2.gz	ISGSTZMBQALYJZ-UHFFFAOYSA-N	-1	0	408.392	0.945	40	5		HCBBRM
O=C([O-])c1cnc([C@@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)[nH]c1=O	ZINC000224969372	568606634	/nfs/dbraw/zinc/60/66/34/568606634.db2.gz	WIIYMOOHCSOBNQ-SNVBAGLBSA-N	-1	0	408.392	0.945	40	5		HCBBRM
O=C([O-])c1cnc([C@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)[nH]c1=O	ZINC000224969416	569312223	/nfs/dbraw/zinc/31/22/23/569312223.db2.gz	WIIYMOOHCSOBNQ-JTQLQIEISA-N	-1	0	408.392	0.945	40	5		HCBBRM
O=C([O-])c1cnc([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)[nH]c1=O	ZINC000224969477	569312215	/nfs/dbraw/zinc/31/22/15/569312215.db2.gz	BAKOUEKKBXSERE-SNVBAGLBSA-N	-1	0	408.392	0.945	40	5		HCBBRM
O=C([O-])c1cnc([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)[nH]c1=O	ZINC000224969521	569312195	/nfs/dbraw/zinc/31/21/95/569312195.db2.gz	BAKOUEKKBXSERE-JTQLQIEISA-N	-1	0	408.392	0.945	40	5		HCBBRM