smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC[C@@H]1C(=O)N(CCC(=O)NN)C(=O)N1CCC(=O)NN	142078641	WMURWOOSOYACHB-SSDOTTSWSA-N	300.319	-2.211	50	30	DAGC	
C[C@H](CN1C(=O)[C@@H](C)N(CCC(=O)NN)C1=O)C(=O)NN	38656822	AUFZZLMFLCVJDQ-RNFRBKRXSA-N	300.319	-2.355	50	30	DAGC	
O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CN(CCCl)CCCl)[C@@H]1O	67983830	COKGUJJIBXWRNV-SOYHJAILSA-N	304.170	-1.434	50	30	DAGC	in-man
O=NN(CCCl)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	5113333	ZOBLZIKVIHJGRN-JAJWTYFOSA-N	313.694	-2.282	50	30	DAGC	
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2Br)c(=O)[nH]c1=O	38229744	UTMUIPQCQMEAEI-JXOAFFINSA-N	321.127	-1.141	50	30	DAGC	
C[C@H](C(=O)NNC(=O)C1CC1)n1nnc(N2CCOCC2)n1	93723	UCAXLINBSFOMIG-MRVPVSSYSA-N	309.330	-1.372	50	30	DAGC	
N#C/C=C1\C=C[C@H](O)C[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	1857787669	UTHVFIKQCUKKQW-JXJKVNKGSA-N	313.306	-2.058	50	30	DAGC	
CCC[C@@H]1C(=O)N(CCC(=O)NN)C(=O)N1CCC(=O)NN	38656118	KPZJCXIDXVGEDP-MRVPVSSYSA-N	314.346	-1.821	50	30	DAGC	
N#C/C=C1\C=C[C@@H](O)C[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	1857787667	UTHVFIKQCUKKQW-FHMYONHBSA-N	313.306	-2.058	50	30	DAGC	
CCC[C@H]1C(=O)N(CCC(=O)NN)C(=O)N1CCC(=O)NN	38656121	KPZJCXIDXVGEDP-QMMMGPOBSA-N	314.346	-1.821	50	30	DAGC	
CC(C)[C@@H]1C(=O)N(CCC(=O)NN)C(=O)N1CCC(=O)NN	38656166	VAXWRFJBZKAQFI-SNVBAGLBSA-N	314.346	-1.965	50	30	DAGC	
CC(C)(CO)COB(O)c1cc(Cl)c(B(O)O)cc1C#N	200305401	KJVSJFLXCBSZFA-UHFFFAOYSA-N	311.339	-1.386	50	30	DAGC	
C[C@@H](C(=O)NNC(=O)C1CC1)n1nnc(N2CCOCC2)n1	93719	UCAXLINBSFOMIG-QMMMGPOBSA-N	309.330	-1.372	50	30	DAGC	
CO[Si](CCCN(CO)CCN(CO)CO)(OC)OC	195751060	AWVHRDYKXCUVBI-UHFFFAOYSA-N	312.439	-1.292	50	30	DAGC	
C[C@@H](CN1C(=O)[C@@H](C)N(CCC(=O)NN)C1=O)C(=O)NN	38656826	AUFZZLMFLCVJDQ-NKWVEPMBSA-N	300.319	-2.355	50	30	DAGC	
O[C@H]1O[C@H](CN(CCCl)CCCl)[C@H](O)[C@H](O)[C@H]1O	67983831	COKGUJJIBXWRNV-KBDSZGMXSA-N	304.170	-1.434	50	30	DAGC	in-man
CO[Si](C)(C)C12BBBBBBBBC([Si](C)(C)OC)(B1)B2	255988410	MRJUOSYHUMRTBT-UHFFFAOYSA-N	320.602	-4.288	50	30	DAGC	
CN1C2=CC(=O)C(=NNC(N)=O)C=C2C[C@H]1S(=O)(=O)O	255993640	OZCACMPSTYQSMM-SECBINFHSA-N	300.296	-1.047	50	30	DAGC	
N#C/C=C1\C=C[C@H](O)C[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	1857787668	UTHVFIKQCUKKQW-IFMRMKELSA-N	313.306	-2.058	50	30	DAGC	
CC(C)[C@H]1C(=O)N(CCC(=O)NN)C(=O)N1CCC(=O)NN	38656169	VAXWRFJBZKAQFI-JTQLQIEISA-N	314.346	-1.965	50	30	DAGC	
CNC(=S)NNC(=O)[C@H](C)n1nnc(N2CCOCC2)n1	3138489	ZXJBONZMUNTSCN-ZETCQYMHSA-N	314.375	-1.804	50	30	DAGC	
C[C@H]1C(=O)N(C[C@@H](C)C(=O)NN)C(=O)N1CCC(=O)NN	38656824	AUFZZLMFLCVJDQ-RQJHMYQMSA-N	300.319	-2.355	50	30	DAGC	
CN1C2=CC(=O)C(=NNC(N)=O)C=C2C[C@@H]1S(=O)(=O)O	255993641	OZCACMPSTYQSMM-VIFPVBQESA-N	300.296	-1.047	50	30	DAGC	
CC[C@H]1C(=O)N(CCC(=O)NN)C(=O)N1CCC(=O)NN	142078837	WMURWOOSOYACHB-ZETCQYMHSA-N	300.319	-2.211	50	30	DAGC	
O=C(CBr)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	38329217	FBDRYZFAXBPZEB-YTLSDQODSA-N	300.105	-2.703	50	30	DAGC	
C[C@@H](CN1C(=O)[C@H](C)N(CCC(=O)NN)C1=O)C(=O)NN	38656828	AUFZZLMFLCVJDQ-BQBZGAKWSA-N	300.319	-2.355	50	30	DAGC	
CCCNC(=O)NNC(=O)Cn1nnc(N2CCOCC2)n1	3138346	ONCAPHUBTHSMIH-UHFFFAOYSA-N	312.334	-1.750	50	30	DAGC	
COc1cc(B(O)O)cc(S(=O)(=O)N2CCOCC2)c1	585662995	SSOACLYCMHIOGQ-UHFFFAOYSA-N	301.129	-1.604	50	30	DAGC	
N#C/C=C1\C=C[C@@H](O)C[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	1857787670	UTHVFIKQCUKKQW-ZTXPCXGWSA-N	313.306	-2.058	50	30	DAGC	
CC(C)(O)C(C)(C)OB(O)c1cc(B(O)O)cc(B(O)O)c1	604934449	QCRFWMJLSSNRFU-UHFFFAOYSA-N	309.729	-3.700	50	30	DAGC	
CNC(=S)NNC(=O)[C@@H](C)n1nnc(N2CCOCC2)n1	3138490	ZXJBONZMUNTSCN-SSDOTTSWSA-N	314.375	-1.804	50	30	DAGC