smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
NCCNCCNCCNCCNC[C@H](O)CCl	38636298	WNWFMFWNKLGZDQ-LLVKDONJSA-N	281.832	-2.097	50	30	CAGC	
O=C(O)[C@@H]1CCCN(c2ncc(B(O)O)cn2)C1	206037591	TZENWPQPNXSBMU-SSDOTTSWSA-N	251.051	-1.543	50	30	CAGC	
CN1C[C@H](O)C2=C[C@@H](/C=N/NC(N)=O)C(=O)C=C21	215803590	VFYMUEVKWLVONC-PKIDXWTISA-N	250.258	-1.044	50	30	CAGC	
O=S(=O)(NC[C@@H](O)CCl)N1CCNCC1	2265385679	CFPXXHUPZGCIGO-ZETCQYMHSA-N	257.743	-1.674	50	30	CAGC	
NNC(=O)CCN(CCC(=O)NN)CCC(=O)NN	111899497	PMPWHLYNGLTUHI-UHFFFAOYSA-N	275.313	-3.572	50	30	CAGC	
O=C(c1ccc(F)cc1B(O)O)[C@H]1CNCCO1	604970839	QHNUBHOQPSRQPD-SNVBAGLBSA-N	253.038	-1.323	50	30	CAGC	
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](Cl)[C@H]2O)c(=O)[nH]1	33902386	UCSUZFLOJSMXTE-XVFCMESISA-N	262.649	-1.605	50	30	CAGC	
CO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@]1(O)NC(=O)N(C)N=O	96336333	QVGBOONGQKETDT-XSEHCYKFSA-N	295.248	-2.917	50	30	CAGC	
C=C1CC(NCCC(=O)NN)=CC=C1NCCC(=O)NN	223741040	VWDHQYSQZYULBU-UHFFFAOYSA-N	294.359	-1.347	50	30	CAGC	
CC(=O)N[C@@H](Cc1ccccc1B(O)O)C(=O)O	195751749	NQAHBDDIAHDMMA-JTQLQIEISA-N	251.047	-1.502	50	30	CAGC	
CN1CCN(CCOc2ccccc2B(O)O)CC1	211419250	CFRBUHZNCIAATG-UHFFFAOYSA-N	264.134	-1.007	50	30	CAGC	
C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	223542594	HCWAILZFCRLWPS-DFTQBPQZSA-N	252.339	-1.362	50	30	CAGC	
Nc1ccn([C@@H]2O[C@H](CCl)[C@@H](O)[C@@H]2O)c(=O)n1	3800994	BPGIZMWGUQVFSE-CCXZUQQUSA-N	261.665	-1.317	50	30	CAGC	
O=S(=O)(O)C[C@H](O)COCCC[Si](O)(O)O	195762776	OGAIYCZMKDJRSU-ZCFIWIBFSA-N	276.339	-2.442	50	30	CAGC	
CN1C[C@@H](O)C2=C[C@H](/C=N/NC(N)=O)C(=O)C=C21	141751128	VFYMUEVKWLVONC-ONIOKMFOSA-N	250.258	-1.044	50	30	CAGC	
CO[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@]1(O)NC(=O)N(C)N=O	96336332	QVGBOONGQKETDT-CRYJZLASSA-N	295.248	-2.917	50	30	CAGC	
O=C(O)[C@H]1CCCN(c2ncc(B(O)O)cn2)C1	206037567	TZENWPQPNXSBMU-ZETCQYMHSA-N	251.051	-1.543	50	30	CAGC	
OB(O)c1cnc(NCCCN2CCOCC2)nc1	206037631	QJIPFNFWPIQGFF-UHFFFAOYSA-N	266.110	-1.709	50	30	CAGC	
O=S(=O)(O)C[C@@H](O)COCCC[Si](O)(O)O	195762773	OGAIYCZMKDJRSU-LURJTMIESA-N	276.339	-2.442	50	30	CAGC	
N=c1ccn([C@H]2O[C@@H](CCl)[C@H](O)[C@@H]2O)c(O)n1	604935097	BPGIZMWGUQVFSE-PSQAKQOGSA-N	261.665	-1.074	50	30	CAGC	
CNC(=S)NNC(=O)[C@]1(O)CN2CCC1CC2	172686	VTSOZTICPYEVHI-JTQLQIEISA-N	258.347	-1.432	50	30	CAGC	
O=C(c1ccc(F)cc1B(O)O)[C@@H]1CNCCO1	604970838	QHNUBHOQPSRQPD-JTQLQIEISA-N	253.038	-1.323	50	30	CAGC	
CN1C[C@@H](O)C2=C[C@@H](/C=N/NC(N)=O)C(=O)C=C21	215803642	VFYMUEVKWLVONC-VEKMGBSESA-N	250.258	-1.044	50	30	CAGC	
CNC(=O)NNC(=O)Cn1nnc(N2CCCC2)n1	1044870	BDXVFNBMELKRKT-UHFFFAOYSA-N	268.281	-1.767	50	30	CAGC	
O=S(=O)(NC[C@H](O)CCl)N1CCNCC1	2265385678	CFPXXHUPZGCIGO-SSDOTTSWSA-N	257.743	-1.674	50	30	CAGC	
NCCNCCNCCNCCNC[C@@H](O)CCl	38636300	WNWFMFWNKLGZDQ-NSHDSACASA-N	281.832	-2.097	50	30	CAGC	
NCCO[Si](OCCN)(OCCN)OCCN	195765423	MEIYXMYVJKNCGO-UHFFFAOYSA-N	268.390	-2.677	50	30	CAGC	
CNC(=O)NNC(=O)Cn1nnc(N2CCCCC2)n1	93706	JDQHAEHGOBKBPH-UHFFFAOYSA-N	282.308	-1.376	50	30	CAGC	
CN1C[C@H](O)C2=C[C@H](/C=N/NC(N)=O)C(=O)C=C21	95934300	VFYMUEVKWLVONC-VRZOBTIXSA-N	250.258	-1.044	50	30	CAGC	
C[Si](C)(C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	223542535	HCWAILZFCRLWPS-XGQMLPDNSA-N	252.339	-1.362	50	30	CAGC	
CNC(=S)NNC(=O)[C@@]1(O)CN2CCC1CC2	172684	VTSOZTICPYEVHI-SNVBAGLBSA-N	258.347	-1.432	50	30	CAGC	
CN(C=C(C#N)C#N)C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO	4336680	UISCZCOBXZDXOU-RCWTZXSCSA-N	271.273	-2.715	50	30	CAGC	
O=C(N/N=C1\O[C@@H]2[C@@H](O)[C@H](O)O[C@@H]2[C@H]1O)c1ccncc1	223494409	RIRSFEMAEFVYKI-PEOBJSFXSA-N	295.251	-2.037	50	30	CAGC	
N=C(N)NCCSS(=O)(=O)CCNC(=N)N	2387165	JVBWIEKHVIHABZ-UHFFFAOYSA-N	268.368	-1.984	50	30	CAGC	in-vitro