smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=S(=O)(O[C@H]([C@@H]1CCOC1)C(F)(F)F)C(F)(F)F	685945622	QUELMKIPWFZXNG-RFZPGFLSSA-N	302.192	1.820	70	30	DDIC	
O=c1[nH]c2cc(Br)c(S(=O)(=O)Cl)cc2[nH]1	100498086	KPTXLRVMERGOKN-UHFFFAOYSA-N	311.544	1.546	70	30	DDIC	
CC1(C)OB(c2ccc(S(=O)(=O)Cl)cc2)OC1(C)C	702878854	VKARYJIRDRIDAH-UHFFFAOYSA-N	302.588	1.913	70	30	DDIC	
CC(C)(C)OC(=O)N1C[C@@H]2CCCN(S(=O)(=O)Cl)[C@@H]2C1	1536219821	LAIRHSZUMUSCNP-VHSXEESVSA-N	324.830	1.801	70	30	DDIC	
Cc1ccc(S(=O)(=O)COS(=O)(=O)C(F)(F)F)cc1	105316084	SARNMZLPZYVMPO-UHFFFAOYSA-N	318.294	1.592	70	30	DDIC	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](S(=O)(=O)Cl)C1	725378624	JFTDDXBNWGKZJR-JGVFFNPUSA-N	301.767	1.903	70	30	DDIC	
CCOCC(=O)Nc1cc(OC)ccc1S(=O)(=O)Cl	100469669	DSMRFMFJDXJDFB-UHFFFAOYSA-N	307.755	1.598	70	30	DDIC	in-vitro
CCS(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1	100470277	YTPVOISWMUEDPJ-UHFFFAOYSA-N	317.841	1.157	70	30	DDIC	in-vitro
CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1	100600215	FNMXYDGPQHCAGI-UHFFFAOYSA-N	311.812	1.548	70	30	DDIC	in-vitro
CC1(C)OB(c2cc(N)cc(S(=O)(=O)F)c2)OC1(C)C	2265364213	HNJHJRXVJVKFIG-UHFFFAOYSA-N	301.148	1.226	70	30	DDIC	
C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Cl	306255998	NKKNZVGHKDRNGR-LBPRGKRZSA-N	319.741	1.579	70	30	DDIC	
C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Cl	306255997	NKKNZVGHKDRNGR-GFCCVEGCSA-N	319.741	1.579	70	30	DDIC	
O=S(=O)(O[C@@H]([C@H]1CCOC1)C(F)(F)F)C(F)(F)F	685945624	QUELMKIPWFZXNG-WHFBIAKZSA-N	302.192	1.820	70	30	DDIC	
O=S(=O)(Cl)c1ccccc1S(=O)(=O)N1CCCC1	100500926	YCLRDOYDJIXCKE-UHFFFAOYSA-N	309.796	1.399	70	30	DDIC	
O=S(=O)(O[C@@H]([C@@H]1CCOC1)C(F)(F)F)C(F)(F)F	685945623	QUELMKIPWFZXNG-UHNVWZDZSA-N	302.192	1.820	70	30	DDIC	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)NCC(F)(F)F	100473625	YQIVOPCJXKIILZ-UHFFFAOYSA-N	304.677	1.245	70	30	DDIC	in-vitro
O=S(=O)(Cl)c1ccc(S(=O)(=O)C(F)(F)F)cc1	100503066	PGNBXFXYMQFHLQ-UHFFFAOYSA-N	308.686	1.908	70	30	DDIC	
CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)Cl	100467327	QHPRMROJHPGXKC-UHFFFAOYSA-N	313.784	1.384	70	30	DDIC	in-vitro
CCCCNS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1	100596405	GSUXHKNRDYDALW-UHFFFAOYSA-N	311.812	1.693	70	30	DDIC	in-vitro
COC(=O)c1cc(S(=O)(=O)Cl)oc1Br	725264971	DUTVKUGFMPLMAO-UHFFFAOYSA-N	303.517	1.756	70	30	DDIC	
C[C@@H](CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)Cl	1535541260	YOCMCGODWGOLOP-QMMMGPOBSA-N	301.751	1.630	70	30	DDIC	
O=S(=O)(OC1=CC[C@@H](N2CCOCC2)CC1)C(F)(F)F	100113481	WTVGKRUAUADCMU-SECBINFHSA-N	315.313	1.621	70	30	DDIC	in-vitro
O=C1OCCN1c1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]	97972447	OFCSSPXRRCHCKG-UHFFFAOYSA-N	306.683	1.479	70	30	DDIC	
CC1(C)OB(c2ccc(OS(=O)(=O)F)cc2)OC1(C)C	2265385272	ZIQXAGFNMOTODH-UHFFFAOYSA-N	302.132	1.579	70	30	DDIC	
CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)Cl	59530754	WEGPMCVWYUNTLW-UHFFFAOYSA-N	312.819	1.801	70	30	DDIC	in-vitro
CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)Cl	100473400	DKPQKLFXNIMRBL-UHFFFAOYSA-N	303.188	1.812	70	30	DDIC	in-vitro
CCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(OC)c1	59106919	UBCGHZPMTDWKES-UHFFFAOYSA-N	313.784	1.384	70	30	DDIC	in-vitro
CC1(C)OB(c2cccc(OS(=O)(=O)F)c2)OC1(C)C	2265385152	IEOMPTLNZOZBLG-UHFFFAOYSA-N	302.132	1.579	70	30	DDIC	
CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1F	59108318	PDAYRUGUBIZLGM-UHFFFAOYSA-N	315.775	1.905	70	30	DDIC	in-vitro
CCCS(=O)(=O)NCc1ccc(S(=O)(=O)Cl)cc1	100594313	UVTWTLUVLMNEKY-UHFFFAOYSA-N	311.812	1.444	70	30	DDIC	
CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(F)c1	59108143	GJUWEYGSOPXAFU-UHFFFAOYSA-N	315.775	1.905	70	30	DDIC	
COc1nc(OC)c(S(=O)(=O)Cl)cc1Br	2265385543	INRDSSGANYHCPC-UHFFFAOYSA-N	316.560	1.789	70	30	DDIC	
CN(C)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1	100491015	BTTMSFAENXCAJC-UHFFFAOYSA-N	318.203	1.518	70	30	DDIC	
CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1F	100458323	BTHXPXSYVXNBOT-UHFFFAOYSA-N	315.775	1.903	70	30	DDIC	in-vitro
Cc1nn2cc(Br)cnc2c1S(=O)(=O)Cl	100633199	NQKSRPHDFALUEC-UHFFFAOYSA-N	310.560	1.728	70	30	DDIC	in-vitro
COC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1	100644556	ZIIAGVWPJNCSPJ-UHFFFAOYSA-N	303.517	1.756	70	30	DDIC	in-vitro
O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Cl	102296328	WPSHQXABFAYZRV-UHFFFAOYSA-N	301.751	1.631	70	30	DDIC	
O=S(=O)(O[C@H]([C@H]1CCOC1)C(F)(F)F)C(F)(F)F	685945621	QUELMKIPWFZXNG-CRCLSJGQSA-N	302.192	1.820	70	30	DDIC	
CC(C)(C)OC(=O)C1=C(OS(=O)(=O)C(F)(F)F)COC1	407986228	UASQEKJMQUPVAQ-UHFFFAOYSA-N	318.269	1.479	70	30	DDIC	
NC(=O)c1cc(S(=O)(=O)Cl)c(Br)cc1F	108311356	JRYITXBHZAKZDN-UHFFFAOYSA-N	316.535	1.615	70	30	DDIC	
NC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1Br	108311406	KJLCLHNURHAFEP-UHFFFAOYSA-N	316.535	1.615	70	30	DDIC	
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)Cl)c1	100556074	DZRBXDUYMSHEHG-UHFFFAOYSA-N	311.812	1.645	70	30	DDIC	
C[C@H](CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)Cl	1535541259	YOCMCGODWGOLOP-MRVPVSSYSA-N	301.751	1.630	70	30	DDIC	
COC(=O)c1cc(S(=O)(=O)Cl)c([N+](=O)[O-])cc1OC	111911637	AJOMRGMKCWMDNP-UHFFFAOYSA-N	309.683	1.318	70	30	DDIC	
COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Cl	114560330	OMKAEXBIDRZGNA-UHFFFAOYSA-N	312.174	1.978	70	30	DDIC	in-vitro
O=S(=O)(OC1=CC[C@H](N2CCOCC2)CC1)C(F)(F)F	100113477	WTVGKRUAUADCMU-VIFPVBQESA-N	315.313	1.621	70	30	DDIC	in-vitro
O=S(=O)(Cl)c1ccccc1S(=O)(=O)C(F)(F)F	105764405	OHTWWXFKNQKHNT-UHFFFAOYSA-N	308.686	1.908	70	30	DDIC	
CCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1F	59108345	DXQFAIJWYLDDPI-UHFFFAOYSA-N	301.748	1.515	70	30	DDIC	in-vitro
O=C(O)Cc1cc(Br)cc(OS(=O)(=O)F)c1	2265384930	HYNPTPGBXJXZEU-UHFFFAOYSA-N	313.100	1.669	70	30	DDIC	
CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Cl	306658270	KONCLKJNCZWBPW-UHFFFAOYSA-N	315.778	1.877	70	30	DDIC	
COCCS(=O)(=O)Cc1cccc(S(=O)(=O)Cl)c1	100466808	DXIDCEXITMAADO-UHFFFAOYSA-N	312.796	1.175	70	30	DDIC	in-vitro
CC(C)(C)OC(=O)N1CCn2ncc(S(=O)(=O)Cl)c2C1	1535405650	JEMOQELBHLEZAR-UHFFFAOYSA-N	321.786	1.561	70	30	DDIC	
CC(=O)n1cc2cccc(OS(=O)(=O)C(F)(F)F)c2n1	198444490	KGRFSFLNNORWEH-UHFFFAOYSA-N	308.237	1.925	70	30	DDIC