smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(CNS(=O)(=O)c1cccc2nsnc12)NNC(=O)c1ccc(Cl)cc1	3180714	RGJSKAVAENHDLB-UHFFFAOYSA-N	425.879	1.084	50	30	IDGC	
CC(C)C(=O)OC[C@]1(CCl)O[C@H](n2ccc(=N)nc2O)[C@H](F)[C@@H]1OC(=O)C(C)C	504702599	MJVKYGMNSQJLIN-COJSNBRMSA-N	433.864	1.680	50	30	IDGC	biogenic
CC(C)C(=O)OC[C@]1(CCl)O[C@H](n2ccc(=N)nc2O)[C@@H](F)[C@@H]1OC(=O)C(C)C	504702700	MJVKYGMNSQJLIN-NUXNZHGMSA-N	433.864	1.680	50	30	IDGC	biogenic
Cc1nnsc1C(=O)NNS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1	8636663	XMZKNJLRASIFME-UHFFFAOYSA-N	437.528	1.461	50	30	IDGC	
CC(C)C(=O)OC[C@]1(CCl)O[C@H](n2ccc(=N)nc2O)[C@H](F)[C@H]1OC(=O)C(C)C	504702701	MJVKYGMNSQJLIN-ZXTQRBJTSA-N	433.864	1.680	50	30	IDGC	biogenic
Nc1nc2ccc(S(=O)(=O)/N=C(\O)C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2s1	6023733	WVFMAZAKHGEFJO-QGMBQPNBSA-N	448.442	1.582	50	30	IDGC	
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](COC(=O)CCl)NC(=O)C(Cl)Cl)cc1	60257695	ZSZQRRIQRPRATF-ZYHUDNBSSA-N	432.709	1.194	50	30	IDGC	
CO[Si](CCCOC(=O)/C=C/C(=O)OCCC[Si](OC)(OC)OC)(OC)OC	195764309	GPWPWELMLCKXRP-MDZDMXLPSA-N	440.594	1.165	50	30	IDGC	
CNC(=O)NNC(=O)[C@@H](C)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	2148240	NVPMBKJCKHYTLK-ZCFIWIBFSA-N	425.293	1.899	50	30	IDGC	
CC(C)C(=O)OC[C@]1(CCl)O[C@H](n2ccc(=N)nc2O)[C@@H](F)[C@H]1OC(=O)C(C)C	504702598	MJVKYGMNSQJLIN-AHXJXLJNSA-N	433.864	1.680	50	30	IDGC	biogenic
O=C(CS[C@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21)NNC(=O)c1cccs1	3127635	PMFXXQNYAMPQCQ-LBPRGKRZSA-N	427.485	1.679	50	30	IDGC	
CN(C)c1c(/C=C(/C#N)S(C)(=O)=O)cc(/C=C(/C#N)S(C)(=O)=O)c(N(C)C)c1C#N	33364935	CMTHXYICXGSFHP-SRKDFGFSSA-N	447.542	1.508	50	30	IDGC	
CS(=O)(=O)c1ccc([C@H](O)[C@H](COC(=O)CCl)NC(=O)C(Cl)Cl)cc1	60257698	ZSZQRRIQRPRATF-JQWIXIFHSA-N	432.709	1.194	50	30	IDGC	
CNC(=S)NNC(=O)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1	8648573	QFTZNXRHZYVULD-UHFFFAOYSA-N	430.939	1.639	50	30	IDGC	
NS(=O)(=O)c1ccc(NNC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1	12340444	BLHXRRHPYUAONG-UHFFFAOYSA-N	432.502	1.826	50	30	IDGC	
CNC(=O)NNC(=O)[C@H](C)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	2148238	NVPMBKJCKHYTLK-LURJTMIESA-N	425.293	1.899	50	30	IDGC	
CS(=O)(=O)c1ccc([C@H](O)[C@@H](COC(=O)CCl)NC(=O)C(Cl)Cl)cc1	60257692	ZSZQRRIQRPRATF-PWSUYJOCSA-N	432.709	1.194	50	30	IDGC	
CS(=O)(=O)c1ccc([C@@H](O)[C@H](COC(=O)CCl)NC(=O)C(Cl)Cl)cc1	60257699	ZSZQRRIQRPRATF-CMPLNLGQSA-N	432.709	1.194	50	30	IDGC	
O=C(CS[C@@H]1CS(=O)(=O)c2cc([N+](=O)[O-])ccc21)NNC(=O)c1cccs1	3127636	PMFXXQNYAMPQCQ-GFCCVEGCSA-N	427.485	1.679	50	30	IDGC	
Cc1cc(=O)n2ncnc2n1CC(=O)NNC(=S)Nc1ccc(Cl)cc1Cl	1033687	JSSNMMRAGUDQHM-UHFFFAOYSA-N	426.289	1.524	50	30	IDGC