smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COCCNC(=S)NNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1	17071035	JFRXOQMYFMSMBD-VIFPVBQESA-N	338.455	-1.200	50	50	EAGA	
COc1cc(B(O)O)c(C=O)cc1OCCN1CCCS1(=O)=O	2325854165	QLJXSKIHFKNZMO-UHFFFAOYSA-N	343.166	-1.398	50	50	EAGA	
CNC(=O)C1CCN(C(=O)COc2cccc(B(O)O)c2C=O)CC1	2325826051	NFHHQJNWPGWPHR-UHFFFAOYSA-N	348.164	-1.458	50	50	EAGA	
Cc1cc(B(O)O)cc(C)c1S(=O)(=O)N1CCN(CCO)CC1	230557186	VIBCHZWBDDDNRT-UHFFFAOYSA-N	342.226	-1.718	50	50	EAGA	
NOCC(=O)NNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21	43328792	KYHUBFIOWQTECH-VHSKPIJISA-N	331.398	-1.250	50	50	EAGA	in-vitro
O=Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@H]3C2)ccc1B(O)O	2325873483	ITLJTQQHHFRUOU-TXEJJXNPSA-N	337.162	-1.705	50	50	EAGA	
CN(C)c1ccc(/C=N/NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)cc1	229818481	XSKXICURKDURNM-NJFKLVBYSA-N	341.364	-2.361	50	50	EAGA	
NNC(=O)[C@H](CS[C@H]1CCCCO1)NC(=O)[C@@H]1CCC(=O)N1	4474811	JBJXPLUBCQAAAD-QXEWZRGKSA-N	330.410	-1.001	50	50	EAGA	
CCOc1c(N[C@@H](Cc2ccc(B(O)O)cc2)C(=O)O)c(=O)c1=O	218917385	HVIDYIZWESXQHX-JTQLQIEISA-N	333.105	-1.531	50	50	EAGA	
O=C(NC1CCN(c2nc(O)n[nH]2)CC1)c1cccc(B(O)O)c1	1875367626	WONLCVLODHKQMQ-UHFFFAOYSA-N	331.141	-1.411	50	50	EAGA	
COCC(=O)N1CCC[C@@H](NC(=O)c2ccc(B(O)O)c(C=O)c2)C1	2325873912	YLTHVAKGIABCPF-CYBMUJFWSA-N	348.164	-1.454	50	50	EAGA	
N#C/C=C1/C=C[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	56874786	WIIDBJNWXCWLKF-VVAXPEBGSA-N	329.305	-3.087	50	50	EAGA	biogenic,in-vitro
NNC(=O)[C@H](CS[C@H]1CCCCO1)NC(=O)[C@H]1CCC(=O)N1	239322022	JBJXPLUBCQAAAD-YWVKMMECSA-N	330.410	-1.001	50	50	EAGA	
CN1CCN(CCCNS(=O)(=O)c2ccc(B(O)O)cc2)CC1	169988948	SSVLGTJIZOQWJT-UHFFFAOYSA-N	341.242	-1.718	50	50	EAGA	
COCCNC(=S)NNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1	17071034	JFRXOQMYFMSMBD-SECBINFHSA-N	338.455	-1.200	50	50	EAGA	
Cc1ccc(B(O)O)cc1S(=O)(=O)N1CCN(CCO)CC1	230550874	VGLBCIHDCYMPMC-UHFFFAOYSA-N	328.199	-2.027	50	50	EAGA	
COC(=O)[C@]1(C)CN(C(=O)c2ccc(B(O)O)c(C=O)c2)CCO1	2325873496	JAVNHTWNKISHCA-HNNXBMFYSA-N	335.121	-1.417	50	50	EAGA	
NNC(=O)[C@H](CS[C@@H]1CCCCO1)NC(=O)[C@H]1CCC(=O)N1	101112362	JBJXPLUBCQAAAD-WCABBAIRSA-N	330.410	-1.001	50	50	EAGA	
O=S(=O)(c1ccc(-n2cc(B(O)O)cn2)cc1)N1CCOCC1	170002437	JOUDAFPMPKTXRZ-UHFFFAOYSA-N	337.166	-1.427	50	50	EAGA	
NC(=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	25574024	IWHYZDQFCWFQND-UHFFFAOYSA-N	329.656	-1.181	50	50	EAGA	
Cn1ncc2c(O)nc(=NNC(=O)C[C@H]3CCC(=O)NC3=O)[nH]c21	1875344276	APODYCRJODSZGB-ZCFIWIBFSA-N	333.308	-1.623	50	50	EAGA	
NOCC(=O)NNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12	43328793	KYHUBFIOWQTECH-DKCNOQQISA-N	331.398	-1.250	50	50	EAGA	in-vitro
NOCC(=O)NNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12	5192440	KYHUBFIOWQTECH-LAEOZQHASA-N	331.398	-1.250	50	50	EAGA	biogenic,in-vitro
NNC(=O)[C@H](CS[C@@H]1CCCCO1)NC(=O)[C@@H]1CCC(=O)N1	4474810	JBJXPLUBCQAAAD-ATZCPNFKSA-N	330.410	-1.001	50	50	EAGA	
CN(C)c1ccc(/C=N/NC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1	245312835	XSKXICURKDURNM-MDQQZRLFSA-N	341.364	-2.361	50	50	EAGA	
CCN1CCN(S(=O)(=O)c2cc(B(O)O)ccc2OC)CC1	230548270	SROKYIUKGSLVFC-UHFFFAOYSA-N	328.199	-1.299	50	50	EAGA	
COc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1B(O)O	230556682	XWWBPNYGNUWSFK-UHFFFAOYSA-N	344.198	-2.326	50	50	EAGA	
COCC(=O)N1CCC[C@H](NC(=O)c2ccc(B(O)O)c(C=O)c2)C1	2325873913	YLTHVAKGIABCPF-ZDUSSCGKSA-N	348.164	-1.454	50	50	EAGA	
O=C(CNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc(C(=O)O)cc1	1748400	BQXYGFYDLXYMHU-PJQLUOCWSA-N	332.276	-1.281	50	50	EAGA	
Cn1ncc2c(O)nc(=NNC(=O)C[C@@H]3CCC(=O)NC3=O)[nH]c21	1875344275	APODYCRJODSZGB-LURJTMIESA-N	333.308	-1.623	50	50	EAGA	
NOCC(=O)NNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21	27646488	KYHUBFIOWQTECH-FYBVGQRMSA-N	331.398	-1.250	50	50	EAGA	biogenic,in-vitro
CCN1CCN(S(=O)(=O)c2ccc(OC)c(B(O)O)c2)CC1	230548218	TZVGORRYWJEHHN-UHFFFAOYSA-N	328.199	-1.299	50	50	EAGA	
CN(CC(=O)NN)c1ccc(S(=O)(=O)N(C)C)c2nonc12	2379568	CCERXXCKPHMFBQ-UHFFFAOYSA-N	328.354	-1.101	50	50	EAGA	in-vitro
CN(C)c1ccc(/C=N/NC(=O)C(=O)NNC(=N)N[N+](=O)[O-])cc1	2848730	HYLAPMSMKOLOLP-VGOFMYFVSA-N	336.312	-1.460	50	50	EAGA	
COC(=O)[C@@]1(C)CN(C(=O)c2ccc(B(O)O)c(C=O)c2)CCO1	2325873497	JAVNHTWNKISHCA-OAHLLOKOSA-N	335.121	-1.417	50	50	EAGA	
CN(NC(N)=O)c1nc(N2CCOCC2)nc(N2CCOCC2)n1	12416456	YRILBCKJKHPNBB-UHFFFAOYSA-N	338.372	-1.436	50	50	EAGA	
O=S(=O)(c1ccc(B(O)O)cc1)N1CCC2(CC1)OCCO2	196962830	LNNPNTBNMRFMPQ-UHFFFAOYSA-N	327.167	-1.106	50	50	EAGA	
O=S(=O)(c1cccc(B(O)O)c1)N1CCC2(CC1)OCCO2	230545298	RUBUCZBPECCTNI-UHFFFAOYSA-N	327.167	-1.106	50	50	EAGA	
COCCNC(=O)C(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O	5065390	IDRLQJZDXQWQDX-UHFFFAOYSA-N	348.315	-1.807	50	50	EAGA