smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CC(C)(C)CC1	114020648	MKZLXGPUJGTVOY-UHFFFAOYSA-N	316.297	2.490	70	30	DEIC	
O=S(=O)(Cl)c1ccc(F)cc1I	102690244	DTUNXTJSZNIPKA-UHFFFAOYSA-N	320.510	2.358	70	30	DEIC	
O=C(OCc1ccccc1)N1CCC[C@H]1CS(=O)(=O)F	675066525	MJTFKYFORJUCRH-LBPRGKRZSA-N	301.339	2.087	70	30	DEIC	
O=C(O)c1cc(S(=O)(=O)Cl)ccc1OC(F)(F)F	147599271	VKDSRLYGIYPCKP-UHFFFAOYSA-N	304.629	2.211	70	30	DEIC	
C[C@]1(c2ncncc2F)NC(=O)c2cc(-c3cn[nH]c3)ccc21	218305203	KNLVLWZENYQYRT-INIZCTEOSA-N	309.304	2.013	70	30	DEIC	
COc1ccc(S(=O)(=O)Cl)c(OC)c1Br	135267308	XDDIBQXBRCZIIU-UHFFFAOYSA-N	315.572	2.394	70	30	DEIC	
O=S(=O)(Cl)c1ccc(I)s1	100508524	ZPSQHBAYQRJYDZ-UHFFFAOYSA-N	308.549	2.280	70	30	DEIC	
O=C(O)c1cc(Br)c(S(=O)(=O)Cl)s1	100633211	ACJJEKZMVLHHTQ-UHFFFAOYSA-N	305.558	2.136	70	30	DEIC	in-vitro
O=C(NC1CC(CS(=O)(=O)Cl)C1)OCc1ccccc1	757175828	ZDZRGYPFDHNOJA-UHFFFAOYSA-N	317.794	2.260	70	30	DEIC	
O=Cc1ccnc2ccc(OS(=O)(=O)C(F)(F)F)cc12	396128269	MQXWJDBIMKELEI-UHFFFAOYSA-N	305.233	2.276	70	30	DEIC	
CC(F)(F)C1(COS(=O)(=O)C(F)(F)F)CCOCC1	950757216	HSODIMWRGQHRQV-UHFFFAOYSA-N	312.256	2.305	70	30	DEIC	
O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Cl	143294739	VOYSCQYOHPWPEV-UHFFFAOYSA-N	315.778	2.022	70	30	DEIC	
COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)Cl)c1	103592794	GQFHDGMNJRLMME-UHFFFAOYSA-N	302.657	2.420	70	30	DEIC	in-vitro
CCOP(=O)(COS(=O)(=O)C(F)(F)F)OCC	113476317	BNKDGTGYTVFGBY-UHFFFAOYSA-N	300.191	2.076	70	30	DEIC	
COCOc1cc(Br)ccc1S(=O)(=O)Cl	309083273	STAOGDKBQGXOBW-UHFFFAOYSA-N	315.572	2.359	70	30	DEIC	
COC(=O)c1ccc(S(=O)(=O)Cl)cc1C(F)(F)F	238853395	JPVLHTVCOMVKMM-UHFFFAOYSA-N	302.657	2.420	70	30	DEIC	
COCOc1cc(Br)cc(S(=O)(=O)Cl)c1	2265383738	ZZDOTTCIWXLWQW-UHFFFAOYSA-N	315.572	2.359	70	30	DEIC	
COC(=O)c1ccc(C(F)(F)F)c(S(=O)(=O)Cl)c1	1535473726	PSKLHTVCZFMTEC-UHFFFAOYSA-N	302.657	2.420	70	30	DEIC	
Cc1c(Br)cc(C(=O)O)cc1S(=O)(=O)Cl	100446981	NGBQETUSWJJHBQ-UHFFFAOYSA-N	313.556	2.383	70	30	DEIC	in-vitro
O=C(O)c1ccc(S(=O)(=O)Cl)c(OC(F)(F)F)c1	100549388	BCCXYVLPCOAQMW-UHFFFAOYSA-N	304.629	2.211	70	30	DEIC	in-vitro
CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1	100586654	QQSFHDRQHLTCBT-UHFFFAOYSA-N	311.812	2.156	70	30	DEIC	
O=S(=O)(Cl)c1cnc2onc(C3CCOCC3)c2c1	390821981	BDIARBSGLJBGPC-UHFFFAOYSA-N	302.739	2.044	70	30	DEIC	
CC(C)(C)OC(=O)N1CCC(F)(CS(=O)(=O)Cl)CC1	238854474	NXHGNDFJWFCSPS-UHFFFAOYSA-N	315.794	2.294	70	30	DEIC	
O=C(N[C@H]1C[C@H](CS(=O)(=O)Cl)C1)OCc1ccccc1	2265385269	ZDZRGYPFDHNOJA-HAQNSBGRSA-N	317.794	2.260	70	30	DEIC	
COC(=O)c1cc(S(=O)(=O)Cl)ccc1OC(F)(F)F	725268744	NZTWBDRWHAIORC-UHFFFAOYSA-N	318.656	2.299	70	30	DEIC	
COC(=O)c1cccc(S(=O)(=O)Cl)c1Br	234617152	GZSHSQGWNYAGFI-UHFFFAOYSA-N	313.556	2.163	70	30	DEIC	
Cc1c(C(=O)O)cc(Br)cc1S(=O)(=O)Cl	100654828	DYXQGRGSYBJEIX-UHFFFAOYSA-N	313.556	2.383	70	30	DEIC	in-vitro
CCOC(=O)c1cc(S(=O)(=O)Cl)cnc1C(F)(F)F	97976183	ZJMQDABLSOZRFX-UHFFFAOYSA-N	317.672	2.205	70	30	DEIC	
O=C1CCc2cc(S(=O)(=O)Cl)c(Br)cc2N1	100651373	MLHVXSDDWHNCPX-UHFFFAOYSA-N	324.583	2.261	70	30	DEIC	
COc1cc(OC)c(S(=O)(=O)Cl)cc1Br	100617724	AHQXIQGOFUWTAS-UHFFFAOYSA-N	315.572	2.394	70	30	DEIC	
O=S(=O)(Cl)c1cc(Br)c2c(c1)OCCO2	1536220438	JKLRXFQLRIUFDQ-UHFFFAOYSA-N	313.556	2.148	70	30	DEIC	
O=C(O)c1cc(S(=O)(=O)Cl)c(Br)cc1F	59221994	ZEXUPDYLDIWOLH-UHFFFAOYSA-N	317.519	2.214	70	30	DEIC	in-vitro
CN(CCCS(=O)(=O)Cl)C(=O)OCc1ccccc1	219103712	NYLFEMVQHSLBDX-UHFFFAOYSA-N	305.783	2.214	70	30	DEIC	
CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Cl)s1	100470133	CJBVZTQMDCRUJG-UHFFFAOYSA-N	309.840	2.380	70	30	DEIC	in-vitro
COc1nc(C)c(S(=O)(=O)Cl)cc1Br	2265383737	ZNISRYQBWCSXGX-UHFFFAOYSA-N	300.561	2.089	70	30	DEIC	
O=S(=O)(F)c1cc2c(cc1Br)OCCCO2	675062764	AADBIYBSYRPBGX-UHFFFAOYSA-N	311.128	2.269	70	30	DEIC	
Cc1cc(NC(=O)C(F)(F)F)ccc1S(=O)(=O)Cl	103335303	GWJCLOPQGJJERX-UHFFFAOYSA-N	301.673	2.423	70	30	DEIC	
O=C(CCl)c1c(O)[n+]2ccccc2n1Cc1ccccc1	142003318	NKKICUNLNZYHSK-UHFFFAOYSA-O	301.753	2.402	70	30	DEIC	
Cc1c(Br)cc(S(=O)(=O)Cl)cc1C(=O)O	100655613	DRIDNFMMXILSRC-UHFFFAOYSA-N	313.556	2.383	70	30	DEIC	in-vitro
O=S(=O)(Cl)c1sccc1I	1536220191	XXILRJQKPAFYEO-UHFFFAOYSA-N	308.549	2.280	70	30	DEIC	
COC(=O)c1cc(Br)c(S(=O)(=O)Cl)s1	100633208	IRAYQSPTRMDCHJ-UHFFFAOYSA-N	319.585	2.225	70	30	DEIC	in-vitro
O=[N+]([O-])c1cc(Br)c(F)c(S(=O)(=O)Cl)c1	108312122	CDJMKJDMCZOXTO-UHFFFAOYSA-N	318.507	2.424	70	30	DEIC	in-vitro
O=C(OCc1ccccc1)N1CCC[C@@H]1CS(=O)(=O)F	675066524	MJTFKYFORJUCRH-GFCCVEGCSA-N	301.339	2.087	70	30	DEIC	
Cc1nn(C2CCOCC2)c2ncc(S(=O)(=O)Cl)cc12	299805340	JQVMHRRISOLIHU-UHFFFAOYSA-N	315.782	2.019	70	30	DEIC