smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN1[SiH](C)N(C)[SiH](C)N(C)[SiH](C)N(C)[SiH]1C	195772394	BGMNUYOGMMCWIX-UHFFFAOYSA-N	292.684	-0.872	70	40	CBIB	
Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1C	217452129	QUNVURUBSSMPMA-MBJXGIAVSA-N	284.308	-0.518	70	40	CBIB	
O=S1(=O)C[C@H](Cl)[C@H](S(=O)(=O)Cl)C1	100004600	MGAGGUDFPOFTNO-IUYQGCFVSA-N	253.128	-0.041	70	40	CBIB	
O=C1NCCN1C(=O)N1CC[C@@H](N2C(=O)CSC2=O)C1	217787073	BYEIHNDTYUKKQQ-SSDOTTSWSA-N	298.324	-0.099	70	40	CBIB	
O=C(NCC[C@@H](O)C1CCOCC1)N1CCNC1=O	217921571	QZJAZTYEBAEMQN-SNVBAGLBSA-N	271.317	-0.101	70	40	CBIB	
O=S1(=O)C[C@@H](O)[C@@H](NC[C@@H]2C[C@H]3C=C[C@@H]2C3)C1	217987730	MGBZZIDDRIAMOE-KZZRWZIVSA-N	257.355	-0.054	70	40	CBIB	
CN(C)C(=O)c1ccc[n+]([O-])c1S(=O)(=O)Cl	137098961	RISAOFVTACQPJW-UHFFFAOYSA-N	264.690	-0.051	70	40	CBIB	
O=S1(=O)C[C@@H](O)[C@H](NC[C@@H]2C[C@H]3C=C[C@@H]2C3)C1	217987873	MGBZZIDDRIAMOE-RNWYCLNJSA-N	257.355	-0.054	70	40	CBIB	
O=C1NCCN1C(=O)N1CC[C@H](N2C(=O)CSC2=O)C1	217787161	BYEIHNDTYUKKQQ-ZETCQYMHSA-N	298.324	-0.099	70	40	CBIB	
O=C1CN(C(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)CCN1	217984847	YAJMMKIPMCAVQJ-PHIMTYICSA-N	292.343	-0.562	70	40	CBIB	
Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Cl)cnc21	100617886	FHJPNZYMEGEHKE-UHFFFAOYSA-N	275.673	-0.451	70	40	CBIB	in-vitro
Cc1cc(C(=O)N2CC(N3C(=O)CCC3=O)C2)no1	217714380	VTZATTDJXCHIGY-UHFFFAOYSA-N	263.253	-0.044	70	40	CBIB	
NC[C@H](O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217386962	ZZFPBRBQJJWPDK-TUAOUCFPSA-N	263.341	-0.413	70	40	CBIB	
O=C(NCC[C@H](O)C1CCOCC1)N1CCNC1=O	217921648	QZJAZTYEBAEMQN-JTQLQIEISA-N	271.317	-0.101	70	40	CBIB	
O=S1(=O)C[C@H](S(=O)(=O)Cl)[C@H](Cl)C1	100004590	MGAGGUDFPOFTNO-DMTCNVIQSA-N	253.128	-0.041	70	40	CBIB	
CCN1CCN(C(=O)CS(=O)(=O)Cl)CC1	217517522	QTLIUOKXBDNTTM-UHFFFAOYSA-N	254.739	-0.281	70	40	CBIB	
CN(C)C(=O)Cn1cc(S(=O)(=O)Cl)cn1	103603709	MHPLNFVTEGFJPP-UHFFFAOYSA-N	251.695	-0.101	70	40	CBIB	
O=S1(=O)C[C@H](O)[C@@H](NC[C@@H]2C[C@H]3C=C[C@@H]2C3)C1	217987801	MGBZZIDDRIAMOE-OSUNSFLBSA-N	257.355	-0.054	70	40	CBIB	
CC(=O)N1CCN(CCS(=O)(=O)Cl)CC1	103693547	IQZHUIGBXGHWCD-UHFFFAOYSA-N	254.739	-0.281	70	40	CBIB	
CCO[SiH2]CC([SiH2]OCC)[SiH2]OCC	201132280	MTVGEAYSHYQYBJ-UHFFFAOYSA-N	252.535	-0.488	70	40	CBIB	
CCS(=O)(=O)NC1C[C@@H]2CC[C@H](C1)N2S(C)(=O)=O	217684556	QMABLKNXUVXECY-PBINXNQUSA-N	296.414	-0.119	70	40	CBIB	
NS(=O)(=O)c1ccc(NC(=O)c2cc(=O)nc[nH]2)cc1	217792921	ZJYKUKLBRBOCGB-UHFFFAOYSA-N	294.292	-0.330	70	40	CBIB	
CC(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218632157	VIEOYMILTOVGQZ-UHFFFAOYSA-N	273.300	-0.274	70	40	CBIB	
O=S1(=O)C[C@@H](Cl)[C@H](S(=O)(=O)Cl)C1	100004592	MGAGGUDFPOFTNO-QWWZWVQMSA-N	253.128	-0.041	70	40	CBIB	
COc1ccnc(N2CCN(Cc3nncn3C)CC2)n1	160832338	NMUUTCBAZCPYRM-UHFFFAOYSA-N	289.343	-0.064	70	40	CBIB	
COC(=O)[C@H]1C[C@@H](OC)CN1S(=O)(=O)N(C)C	217604565	KDQJKRJYEHSSGD-HTQZYQBOSA-N	266.319	-0.945	70	40	CBIB	
COC(=O)[C@H]1C[C@H](OC)CN1S(=O)(=O)N(C)C	217604659	KDQJKRJYEHSSGD-JGVFFNPUSA-N	266.319	-0.945	70	40	CBIB	
Cc1c(S(=O)(=O)Cl)c(=O)n(C)c(=O)n1C	100488253	GZEPSAUGHMMJCR-UHFFFAOYSA-N	252.679	-0.680	70	40	CBIB	
O=S1(=O)C[C@H](Cl)[C@@H](S(=O)(=O)Cl)C1	100004595	MGAGGUDFPOFTNO-IMJSIDKUSA-N	253.128	-0.041	70	40	CBIB	
O=C(Cn1cc(S(=O)(=O)Cl)cn1)N1CCOCC1	103603728	LQSLXGUOICFSBC-UHFFFAOYSA-N	293.732	-0.331	70	40	CBIB	
Cn1nc(C(=O)N2CCc3oncc3C2)ccc1=O	217693066	UHIHRGDXOFBRIB-UHFFFAOYSA-N	260.253	-0.033	70	40	CBIB