smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)N2CCOCC2)n1	ZINC000023549871	202105788	/nfs/dbraw/zinc/10/57/88/202105788.db2.gz	QVLXOBYRANDLHI-UHFFFAOYSA-N	-1	1	347.353	-0.603	50	30		EBEAMM
O=C([O-])[C@]12C[NH2+]C[C@H]1CN(C(=O)N=S(=O)([O-])c1ccccc1)C2	ZINC000063856626	719401551	/nfs/dbraw/zinc/40/15/51/719401551.db2.gz	WUAGUSGDMNCRSC-HZMBPMFUSA-N	-1	1	339.373	-0.105	50	30		EBEAMM
O=C1NC(=S)NC(=O)C1=NNc1ccc(S(=O)(=O)[O-])cc1	ZINC000001952452	375879030	/nfs/dbraw/zinc/87/90/30/375879030.db2.gz	CWPHRGVZIYOQKI-UHFFFAOYSA-N	-1	1	328.331	-0.768	50	30		EBEAMM
O=C(Nc1nnn[n-]1)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000082087509	217462407	/nfs/dbraw/zinc/46/24/07/217462407.db2.gz	CLTPTCZOAURQPC-UHFFFAOYSA-N	-1	1	338.349	-0.143	50	30		EBEAMM
O=C(Nc1nn[n-]n1)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000082087509	217462410	/nfs/dbraw/zinc/46/24/10/217462410.db2.gz	CLTPTCZOAURQPC-UHFFFAOYSA-N	-1	1	338.349	-0.143	50	30		EBEAMM
COc1ccc(C(=O)C2C(=O)C(=O)OC23C(=O)[N-]C(=O)NC3=O)cc1	ZINC000013163089	375970366	/nfs/dbraw/zinc/97/03/66/375970366.db2.gz	FKLWLYGBVMIKFO-UHFFFAOYSA-N	-1	1	346.251	-0.648	50	30		EBEAMM
COc1nc(C)nc(N(C)C(=O)[N-]S(=O)(=O)N2CCOCC2)n1	ZINC000022779630	649934450	/nfs/dbraw/zinc/93/44/50/649934450.db2.gz	XFHDJQFGAMGEOL-UHFFFAOYSA-N	-1	1	346.369	-0.884	50	30		EBEAMM
Nc1ccc(S(=O)(=O)[N-]C(=O)NN2CCS(=O)(=O)CC2)cc1	ZINC000043191005	381994115	/nfs/dbraw/zinc/99/41/15/381994115.db2.gz	HNSLDQAGELPQMU-UHFFFAOYSA-N	-1	1	348.406	-0.894	50	30		EBEAMM
Nc1ccc(S(=O)(=O)N=C([O-])NN2CCS(=O)(=O)CC2)cc1	ZINC000043191005	381994117	/nfs/dbraw/zinc/99/41/17/381994117.db2.gz	HNSLDQAGELPQMU-UHFFFAOYSA-N	-1	1	348.406	-0.894	50	30		EBEAMM
Cc1[nH]c(=O)c(C#N)cc1C(=O)N[C@@H]1COCC[C@@H]1OCC(=O)[O-]	ZINC000219083744	241364084	/nfs/dbraw/zinc/36/40/84/241364084.db2.gz	SKQFJZPJJWJMLL-NEPJUHHUSA-N	-1	1	335.316	-0.457	50	30		EBEAMM
C=CCN1C[C@@]2(C(=O)[O-])CN(CC(=O)NCc3ccco3)C[C@H]2C1=O	ZINC000077486897	419451201	/nfs/dbraw/zinc/45/12/01/419451201.db2.gz	MLNFCFQKAKWGNG-GUYCJALGSA-N	-1	1	347.371	-0.073	50	30		EBEAMM
NS(=O)(=O)c1ccc(N/N=C2/C(=O)[N-]C(=S)NC2=O)cc1	ZINC000018011170	545770327	/nfs/dbraw/zinc/77/03/27/545770327.db2.gz	XXLGKDILJVNSRY-UHFFFAOYSA-N	-1	1	327.347	-0.527	50	30		EBEAMM
NS(=O)(=O)c1ccc(N/N=C2\C(=O)[N-]C(=S)NC2=O)cc1	ZINC000018011170	545770332	/nfs/dbraw/zinc/77/03/32/545770332.db2.gz	XXLGKDILJVNSRY-UHFFFAOYSA-N	-1	1	327.347	-0.527	50	30		EBEAMM