smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(C#N)c([N-]S(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)n1	ZINC000443405963	1075789106	/nfs/dbraw/zinc/78/91/06/1075789106.db2.gz	CLAUDTBADLRKHN-UHFFFAOYSA-N	-2	3	423.398	0.933	20	30		HCEDHL
CC#CC[C@@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC)C(=O)[O-]	ZINC000541003054	1075824135	/nfs/dbraw/zinc/82/41/35/1075824135.db2.gz	BAPGVDADHILCNC-GFCCVEGCSA-N	-2	3	404.466	0.602	20	30		HCEDHL
CC#CC[C@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC)C(=O)[O-]	ZINC000541003055	1075824120	/nfs/dbraw/zinc/82/41/20/1075824120.db2.gz	BAPGVDADHILCNC-LBPRGKRZSA-N	-2	3	404.466	0.602	20	30		HCEDHL
C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(C(=O)[O-])CCOCC2)ccc1F	ZINC000762185531	1077823984	/nfs/dbraw/zinc/82/39/84/1077823984.db2.gz	SNKPAOGYKHUTSG-UHFFFAOYSA-N	-2	3	400.428	0.901	20	30		HCEDHL
O=C([O-])[C@@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1cc(F)ccc1F	ZINC000766957755	939079625	/nfs/dbraw/zinc/07/96/25/939079625.db2.gz	PMQMEZMILVSQOJ-HNNXBMFYSA-N	-2	3	409.370	0.945	20	30		HCEDHL
O=C([O-])[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1cc(F)ccc1F	ZINC000766957756	939079439	/nfs/dbraw/zinc/07/94/39/939079439.db2.gz	PMQMEZMILVSQOJ-OAHLLOKOSA-N	-2	3	409.370	0.945	20	30		HCEDHL
COc1ccc([C@H](NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C(=O)[O-])cc1	ZINC000776655517	939101207	/nfs/dbraw/zinc/10/12/07/939101207.db2.gz	MVPPOCRAGJGEFV-INIZCTEOSA-N	-2	3	403.416	0.676	20	30		HCEDHL
COc1ccc([C@@H](NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C(=O)[O-])cc1	ZINC000776655518	939101236	/nfs/dbraw/zinc/10/12/36/939101236.db2.gz	MVPPOCRAGJGEFV-MRXNPFEDSA-N	-2	3	403.416	0.676	20	30		HCEDHL
CCO[C@@H]1C[C@](NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)(C(=O)[O-])C1(C)C	ZINC000799250663	939214242	/nfs/dbraw/zinc/21/42/42/939214242.db2.gz	PHWBIUSQMPRYSN-ACJLOTCBSA-N	-2	3	409.464	0.500	20	30		HCEDHL
CCO[C@@H]1C[C@@](NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)(C(=O)[O-])C1(C)C	ZINC000799250664	939214321	/nfs/dbraw/zinc/21/43/21/939214321.db2.gz	PHWBIUSQMPRYSN-FZKQIMNGSA-N	-2	3	409.464	0.500	20	30		HCEDHL
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1	ZINC000916800984	1078152818	/nfs/dbraw/zinc/15/28/18/1078152818.db2.gz	YIVGVWITBDASKB-LLVKDONJSA-N	-2	3	423.472	0.627	20	30		HCEDHL
COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1	ZINC000916800986	1078152922	/nfs/dbraw/zinc/15/29/22/1078152922.db2.gz	YIVGVWITBDASKB-NSHDSACASA-N	-2	3	423.472	0.627	20	30		HCEDHL
CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1	ZINC000917554930	1078306957	/nfs/dbraw/zinc/30/69/57/1078306957.db2.gz	MFRTYCYXSSAKCS-UHFFFAOYSA-N	-2	3	403.424	0.942	20	30		HCEDHL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1	ZINC000919669073	1078945307	/nfs/dbraw/zinc/94/53/07/1078945307.db2.gz	AEVQRKCPEJEFBE-UHFFFAOYSA-N	-2	3	424.479	0.454	20	30		HCEDHL
CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)[N-]OCCN1CCCC1=O	ZINC001168626501	1080117995	/nfs/dbraw/zinc/11/79/95/1080117995.db2.gz	CHCRTOWINBUFDJ-HNNXBMFYSA-N	-2	3	422.507	0.810	20	30		HCEDHL
CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)[N-]OCCN1CCCC1=O	ZINC001168626502	1080118241	/nfs/dbraw/zinc/11/82/41/1080118241.db2.gz	CHCRTOWINBUFDJ-OAHLLOKOSA-N	-2	3	422.507	0.810	20	30		HCEDHL