smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ccc(Oc2ccc(-c3cc(O)c4cc(S(=O)(=O)F)ccc4n3)cc2)cc1	100816958	QPBZYLHGOHIQOS-UHFFFAOYSA-N	409.438	5.366	70	50	HKIA	
COc1ccc(C(F)(F)F)cc1NC(=O)Nc1cc(C(F)(F)F)ccc1OC	218313621	JNZRRLKDUZVUOK-UHFFFAOYSA-N	408.298	5.385	70	50	HKIA	
COC(=O)c1ccc(COc2ccc3occ(-c4ccc(OC)c(OC)c4)c3c2)o1	218023086	JNGKWMHCQZOWAR-UHFFFAOYSA-N	408.406	5.076	70	50	HKIA	biogenic
O=C(Oc1c(F)c(F)c(F)c(F)c1F)N(CCc1ccccc1)Cc1cccnc1	1875382907	WXLJQUZOTJZLNR-UHFFFAOYSA-N	422.353	5.021	70	50	HKIA	
Clc1ccccc1C[SiH](Cc1ccccc1Cl)Cc1ccccc1Cl	169817709	AISFMCUGFJRYRI-UHFFFAOYSA-N	405.828	6.519	70	50	HKIA	
CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)F)cc1N	101016587	KIIZPRYXOQJBPA-UHFFFAOYSA-N	415.615	6.787	70	50	HKIA	
Cc1cc(C(=O)Nc2ccc(SC[C@@H]3CCCN4CCCC[C@H]34)nc2)sc1C	218023716	LLEGXIBPNYQNBB-PKOBYXMFSA-N	415.628	5.369	70	50	HKIA	biogenic
O=C1C[C@H](C2=Cc3ccccc3OC2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	218047155	PPEXFXHYONQNOS-LJQANCHMSA-N	416.473	5.223	70	50	HKIA	biogenic
COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)c2ccccc12	217637080	RPQOWURDQNZDOW-GOSISDBHSA-N	402.446	5.033	70	50	HKIA	biogenic
CC1=CC[C@H]([C@@H](C)CCO[Si](C)(C)C(C)(C)C)[C@H]1OS(=O)(=O)C(F)(F)F	169832239	WTIHOZFGBLEVKS-CFVMTHIKSA-N	416.578	5.235	70	50	HKIA	
O=C1C[C@H](c2cc(F)c(F)c(F)c2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	218438012	NOWILKUNJGORCS-CQSZACIVSA-N	416.395	5.213	70	50	HKIA	
O=C(Nc1ccc(SC[C@@H]2CCCN3CCCC[C@H]23)nc1)c1ccc(Cl)cc1	218083170	CFNDGXQEAPDDFK-FXAWDEMLSA-N	415.990	5.344	70	50	HKIA	biogenic
CC1=CC[C@H]([C@@H](C)CCO[Si](C)(C)C(C)(C)C)[C@@H]1OS(=O)(=O)C(F)(F)F	169832236	WTIHOZFGBLEVKS-NWANDNLSSA-N	416.578	5.235	70	50	HKIA	
Cc1c(-c2ccccc2)oc2c(C(=O)N3CCCC[C@H]3c3cccnc3)cccc2c1=O	218032549	SKFXCFJWMZBYFR-QHCPKHFHSA-N	424.500	5.531	70	50	HKIA	biogenic
COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)c2ccccc12	217636988	RPQOWURDQNZDOW-SFHVURJKSA-N	402.446	5.033	70	50	HKIA	biogenic
C[SiH](c1sc(Cl)c(Cl)c1Cl)c1sc(Cl)c(Cl)c1Cl	169815898	OIRWVOXZUWXPIZ-UHFFFAOYSA-N	417.069	5.701	70	50	HKIA	
CCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl	195767197	JIWLOZPAQDZWQN-UHFFFAOYSA-N	415.993	9.683	70	50	HKIA	
O=C1C[C@H](c2ccc(O)c(Cl)c2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	217975415	DVCFFEVDYAKZHR-OAHLLOKOSA-N	412.869	5.155	70	50	HKIA	biogenic
O=S(=O)(Cl)c1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	100799749	PGXSCQVFAODCAU-UHFFFAOYSA-N	404.715	5.444	70	50	HKIA	
CC[Si](CC)(CC)[Si](Cl)([Si](CC)(CC)CC)[Si](CC)(CC)CC	170164772	PWDJKBJJIRTHAW-UHFFFAOYSA-N	409.355	7.931	70	50	HKIA	
c1ccc2c([SiH](c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1	169818679	BDQCMARXLDMWRB-UHFFFAOYSA-N	410.592	5.395	70	50	HKIA	
O=C(OCC1c2ccccc2-c2ccccc21)Oc1c(F)c(F)c(F)c(F)c1F	6844212	CBBKZVZOEBSFQX-UHFFFAOYSA-N	406.306	5.710	70	50	HKIA	in-vitro
CC(C)Cn1c(CCCNC(=O)c2nc(Cl)sc2C(C)C)nc2ccccc21	218402741	ZQONFAMTTFWISK-UHFFFAOYSA-N	418.994	5.288	70	50	HKIA	
CC1=C(OS(=O)(=O)C(F)(F)F)[C@@H]([C@@H](C)CCO[Si](C)(C)C(C)(C)C)CC1	169837713	TVYGSZZHOOEXMM-GXTWGEPZSA-N	416.578	5.585	70	50	HKIA	
CCCC[B-]1(CCCC)N(C2CCCCC2)C(NC2CCCCC2)=Nc2cccc[n+]21	169795522	LRYBEJZMLSQRFB-UHFFFAOYSA-N	424.486	6.423	70	50	HKIA	
O=C1C[C@@H](c2ccc3ncccc3c2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	218005173	QRCKPTRSEFCWHC-IBGZPJMESA-N	413.473	5.344	70	50	HKIA	biogenic
O=C1C[C@@H](c2cc(F)c(F)c(F)c2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	218437926	NOWILKUNJGORCS-AWEZNQCLSA-N	416.395	5.213	70	50	HKIA	
O=C1C[C@@H](c2ccc(O)c(Cl)c2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	217975322	DVCFFEVDYAKZHR-HNNXBMFYSA-N	412.869	5.155	70	50	HKIA	biogenic
COP1(OC)=C(c2ccc(F)cc2)C=C(C(C)(C)C)C=C1c1ccc(F)cc1	101021815	CHOSYSCFCMHDJP-UHFFFAOYSA-N	402.421	6.653	70	50	HKIA	
O=C1C[C@@H](C2=Cc3ccccc3OC2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	218047072	PPEXFXHYONQNOS-IBGZPJMESA-N	416.473	5.223	70	50	HKIA	biogenic
COC(=O)c1cccc(COc2ccc3occ(-c4ccc(OC)c(OC)c4)c3c2)c1	217689301	IGUVILRSNWFHST-UHFFFAOYSA-N	418.445	5.483	70	50	HKIA	biogenic
CCCCCCCCCCCCCCCC[SiH](c1ccccc1)c1ccccc1	169817899	UXKRYSYKLUNPQK-UHFFFAOYSA-N	408.746	7.509	70	50	HKIA	
CSCC[C@H](NC(=O)CC1(n2cccc2)CCCCC1)c1nc2ccccc2n1C	218135651	XTWWXKCAILZNGZ-FQEVSTJZSA-N	424.614	5.035	70	50	HKIA	
O=C(Nc1cccnc1SCc1ccccn1)c1sc2ccccc2c1Cl	218424043	JRTDIYSOMCIKPE-UHFFFAOYSA-N	411.939	5.889	70	50	HKIA	
CC(C)Cc1sc(Cl)nc1C(=O)NCCCc1nc2ccccc2n1C(C)C	218563330	MVZBRIVMGVHAQF-UHFFFAOYSA-N	418.994	5.288	70	50	HKIA	
CC(C)[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1nc2ccccc2n1C(C)C	217874426	GBCDWUVHCINPIQ-QHCPKHFHSA-N	419.569	5.179	70	50	HKIA	biogenic
O=C1C[C@H](c2ccc3ncccc3c2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	218005243	QRCKPTRSEFCWHC-LJQANCHMSA-N	413.473	5.344	70	50	HKIA	biogenic
COc1ccc([C@@H]2OC[C@]3(COC(=O)c4ccccc4)[C@@H](C)[C@@H]2C(C)=C[C@H]3C)cc1	217397739	VGRINMHUNLQXBU-VTOSGNMMSA-N	406.522	5.458	70	50	HKIA	biogenic