smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc(CNC(=O)c2cccn2-c2ccc3c(c2)B(O)OC3)cc1	221693026	SDFGVTJXXROIDO-UHFFFAOYSA-N	362.194	1.634	70	1	FDIF	
COc1cc(Cc2nc3cncnc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924343	BQFRFVKFANUKIO-UHFFFAOYSA-N	368.802	1.888	70	1	FDIF	
CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)c1nc3nc(O)nc(O)c3cc12	587370049	TWFDTAVCRFMUAL-BJOHPYRUSA-N	353.375	1.890	70	1	FDIF	
Nc1nc(O)c2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2n1	586926594	NDPWGOVMCCCDBO-UHFFFAOYSA-N	360.182	1.889	70	1	FDIF	
COc1ccc2nnn(OC(=O)c3cc(OC)c(OC)c(OC)c3)c2c1	64560193	WIVLANQTOWNWDE-UHFFFAOYSA-N	359.338	1.735	70	1	FDIF	
C=P(O)(O)[C@H](Nc1c(F)c(F)c(F)c(F)c1F)P(=O)(O)O	64311412	RLNVPPDUJVWWQR-QMMMGPOBSA-N	355.092	1.520	70	1	FDIF	
Cc1cc(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)ccc1S(=O)(=O)Cl	586928107	PZEZIWRKWUGQMB-UHFFFAOYSA-N	358.770	1.951	70	1	FDIF	
C=P(O)(O)[C@@H](Nc1c(F)c(F)c(F)c(F)c1F)P(=O)(O)O	58538491	RLNVPPDUJVWWQR-MRVPVSSYSA-N	355.092	1.520	70	1	FDIF	
Nc1nc(O)c2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2n1	586927151	JQBGDJORJQGAHJ-UHFFFAOYSA-N	360.182	1.889	70	1	FDIF	
O=S(=O)(OC1=Cc2nc3nc(O)nc(O)c3cc2CC1)C(F)(F)F	587367962	DEFMNOVLPVUAHV-UHFFFAOYSA-N	363.273	1.589	70	1	FDIF	
CC1(C)Oc2ccc(-c3cncnc3)cc2[C@@]2(COC(N)=N2)C12COC2	218407396	WRPYZOUQPVZQFZ-IBGZPJMESA-N	352.394	1.871	70	1	FDIF	
N=c1cc(OC2CN(C(=O)c3ccc(S(=O)(=O)F)cc3)C2)cc[nH]1	1857754348	KGUKDZKNHHDDJZ-UHFFFAOYSA-N	351.359	1.056	70	1	FDIF	
CCC(=O)[C@H](C#N)C(=O)Nc1ccc(OS(=O)(=O)C(F)(F)F)cc1	169725484	BHAVJMAMUUEIMY-JTQLQIEISA-N	364.301	1.972	70	1	FDIF	
CCC(=O)[C@@H](C#N)C(=O)Nc1ccc(OS(=O)(=O)C(F)(F)F)cc1	169725482	BHAVJMAMUUEIMY-SNVBAGLBSA-N	364.301	1.972	70	1	FDIF	
COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c[nH]c(=N)[nH]c-2n1	586924284	ABHSURYIYSSCRM-UHFFFAOYSA-N	374.209	1.974	70	1	FDIF	
CCOc1ccc(S(=O)(=O)Cl)cc1-c1ncc(C(=O)O)c(=O)[nH]1	169335192	UZHJWJCKJWHHBS-UHFFFAOYSA-N	358.759	1.461	70	1	FDIF	
CCc1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1S(=O)(=O)Cl	586926645	CCVUWVWAORKUAN-UHFFFAOYSA-N	354.775	1.921	70	1	FDIF	
O=C(CS(=O)(=O)Cl)c1c(CO)oc2cc(Br)cnc12	587276169	MATGRMWQZSCAFC-UHFFFAOYSA-N	368.592	1.834	70	1	FDIF	
CCOC(=O)c1cc(OS(=O)(=O)C(F)(F)F)cc(C(=O)OCC)n1	116986895	DIJYSHNAPSHDNK-UHFFFAOYSA-N	371.289	1.663	70	1	FDIF	
N=c1cc(O[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)C2)cc[nH]1	1857643900	GUTDTBSNSLVORP-CYBMUJFWSA-N	365.386	1.446	70	1	FDIF	
NS(=O)(=O)c1nc2ccc(OS(=O)(=O)C(F)(F)F)cc2s1	34718095	WUSQSYLTSUGLKJ-UHFFFAOYSA-N	362.332	1.172	70	1	FDIF	
CCc1ccc(-c2nc3c(O)nc(N)nc3[nH]2)cc1S(=O)(=O)Cl	586926744	DTXNJCRXBKRECI-UHFFFAOYSA-N	353.791	1.798	70	1	FDIF	
COc1cc(O)c2c(c1)OC[C@](O)(Cc1ccc(OC)c(OC)c1)C2=O	218611668	PQSSWYSYQWTRBY-LJQANCHMSA-N	360.362	1.967	70	1	FDIF	
COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c(=O)n2c1CCCC2	73370045	TWCDXKKBEKUMFU-UHFFFAOYSA-N	355.290	1.200	70	1	FDIF	
COc1cc(Cc2nc3ncc[nH]c-3n2)cc(S(=O)(=O)Cl)c1OC	586925303	OEGYQCFJPDTDFP-UHFFFAOYSA-N	368.802	1.840	70	1	FDIF	
COc1cc(Cc2nc3cnncc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925200	MWHHZAGLZPRLKP-UHFFFAOYSA-N	368.802	1.888	70	1	FDIF	
N=c1cc(OCCCNC(=O)c2ccc(S(=O)(=O)F)cc2)cc[nH]1	1857755237	OUEDRONOCICJBQ-UHFFFAOYSA-N	353.375	1.351	70	1	FDIF	
CC1(C)Oc2ccc(-c3cncnc3)cc2[C@]2(COC(N)=N2)C12COC2	218407331	WRPYZOUQPVZQFZ-LJQANCHMSA-N	352.394	1.871	70	1	FDIF	
CC(C)C[C@@H](CS(=O)(=O)F)NC(=O)[C@@H](N)[C@@H](C)OCc1ccccc1	95564668	NXMCBWAPFZPAEI-KBMXLJTQSA-N	374.478	1.749	70	1	FDIF