smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[S@](=O)(=N/C=C(\C#N)S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Oc2cccc(F)c2C#N)cc1	100216364	OANCZMPUXHWUAC-GSBPUTKVSA-N	550.515	5.199	50	30	KKGC	
C/C=C1/[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1cc(C)c(O)nc1=O	604973743	CPSHEMHCDIRJTG-LGKPKJPASA-N	510.780	5.057	50	30	KKGC	
CC(=O)OCCC1=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1Oc1c(O)ccc(C=O)c1Br	2265351674	GNJBITXNCXKLPK-FPOVZHCZSA-N	513.501	5.778	50	30	KKGC	
CSc1sc(C(=O)NNC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c1C1(CCC2)SCCS1	2142159	LSTIBBLFOSISCZ-UHFFFAOYSA-N	535.660	5.804	50	30	KKGC	
Nc1c(C(=O)NNC(=S)NCc2ccccc2)oc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c12	8636644	SJOLFIGPZJWGNA-UHFFFAOYSA-N	528.037	5.707	50	30	KKGC	
CC(C)CCCCCCCCCCO[Si](OCCCCCCCCCCC(C)C)(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C	198015429	TZSCJUXOSBZDMS-UHFFFAOYSA-N	825.518	18.156	50	30	KKGC	
CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO[Si](C)(C)C(C)(C)C	195868146	BNBFMYPWFLLWPZ-ZEQRLZLVSA-N	624.869	6.898	50	30	KKGC	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C	195852827	ISXKXFGJQNACAU-RFVQAHBESA-N	574.988	9.282	50	30	KKGC	in-vitro
CCCCCCCCCCCCCCCCCC(=O)[C@@H](C)C(O[Si](O)(O)O)(C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC	604936634	ZKPUHJCLEWEPSD-IONAWPRUSA-N	937.602	17.282	50	30	KKGC	
CO/N=C/[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	195801980	LLVFXXKDPAPSCJ-XWIKXRDFSA-N	570.113	6.351	50	30	KKGC	
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCCCCCCCCCCCC	100307245	YLTQZUQMHKFAHD-DIPNUNPCSA-N	643.478	13.203	50	30	KKGC	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2/C(=C/[C@@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C	196308396	ISXKXFGJQNACAU-OGGPRNJGSA-N	574.988	9.282	50	30	KKGC	
C[C@](Br)(CBr)COc1c(Br)cc(Br)cc1Br	111422836	WNMLTOIDDCEBNY-JTQLQIEISA-N	544.701	5.901	50	30	KKGC	
C[C@H](O[P@](=O)(OCCCl)[C@H](C)O[P@@](=O)(CCCl)OCCCl)P(=O)(OCCCl)OCCCl	256171191	QDLQFWNOQPOPHV-ORKAFHJKSA-N	610.556	6.551	50	30	KKGC	
CCN(CC)c1ccc2cc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(OC(=O)Nc5ccccc5)c5[nH]cc(C)c65)cc4c3)oc2c1	3922432	BBZDXMBRAFTCAA-AREMUKBSSA-N	729.237	9.396	50	30	KKGC	in-man
N#C/C(=C\N(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1	95696342	XUBIKOOEACNJIF-CJLVFECKSA-N	541.503	5.170	50	30	KKGC	
CCCCCCCCC1(CCCCCCCC)c2cc(B(O)O)ccc2-c2ccc(B(OC(C)(C)C(C)(C)O)OC(C)(C)C(C)(C)O)cc21	205311545	BLKZRPQHJKLPEK-UHFFFAOYSA-N	678.613	7.962	50	30	KKGC	
C=C1C(CO)=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2048485865	KRABPXIKVIIGHO-ZONZVBGPSA-N	587.079	8.443	50	30	KKGC	
C[Si](C)(C)OC(=O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	195810784	BNPQYLOELZIDSW-QGZVFWFLSA-N	626.950	7.389	50	30	KKGC	
CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](N3c4nc(N)nc(OCc5ccccc5)c4N[C@H]3Br)C[C@@H]2O[Si](C(C)C)(C(C)C)O1	604970559	ZQFJWUPEVONXTH-GOIZPCHYSA-N	680.793	6.620	50	30	KKGC	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CP(=O)(c1ccccc1)c1ccccc1	198074805	USKAQMVGUUCIJA-KRJOCRJZSA-N	628.954	10.836	50	30	KKGC	
CCCSc1nc(N[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3C[C@@H](OCCO[Si](C)(C)C(C)(C)C)[C@@H]4OC(C)(C)O[C@@H]43)c2n1	214484312	KCBFXBVBKNVUFW-BEZHJQARSA-N	676.907	6.842	50	30	KKGC	
COCO[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]2[C@H]2[C@H]1c1cc3c(cc1CN2S(=O)(=O)c1ccc(C)cc1)OCO3	2265351501	CROFIJVYMZCGGL-OKXKEXSSSA-N	647.863	5.294	50	30	KKGC	
COc1ccc(C(OC[C@H]2O[C@@H](n3ccccc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	575119005	FMVRDFSSWDAZFJ-VDXGOTTOSA-N	844.075	9.823	50	30	KKGC	
CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC	575440353	KASDHRXLYQOAKZ-OOVQDWETSA-N	810.466	5.719	50	30	KKGC	
CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@@]2(CCc4cccc(C5=N[C@H](Cc6ccccc6)CO5)c42)CC3)cc(C(C)(C)C)c1	209789665	UAWQRALEHCBVCD-QNIUTGKFSA-N	788.113	12.201	50	30	KKGC	
Br[C@H]1CCC[C@@H](Br)[C@H](Br)CC[C@@H](Br)[C@@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1Br	299803212	ARBYVXGPPJEYIQ-ZBCYHBTNSA-N	824.088	9.521	50	30	KKGC	
ClC(Cl)O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1	238790395	CQHLMUYIWPPHNS-BGSSSCFASA-N	623.573	7.462	50	30	KKGC	
CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)[C@H](Cl)C(=O)C(C)(C)C)c1	111885373	HDEQFLUBPSWEDN-AREMUKBSSA-N	591.686	8.724	50	30	KKGC	
C[C@H](CCCCCCCCCCCCCCCCCCCC[C@@H](C)O[Si](C)(C)C)O[Si](C)(C)C	195765958	BPJNQAUKOMIFKG-LOYHVIPDSA-N	515.028	11.268	50	30	KKGC	
O=C(Cn1nnc(-c2ccccc2Oc2ccc(Cl)cc2Cl)n1)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl	95660907	IWBXHESHUORQRH-UHFFFAOYSA-N	616.840	6.129	50	30	KKGC	
C=C1/C(=C\CO)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2048485866	LKDMRCVDAOOZGO-AFJFKMHJSA-N	587.079	8.443	50	30	KKGC	
COc1ccccc1-c1nc(C)c2c(C)c(C(=O)NNC(=O)c3ccc(C(F)(F)F)cc3)sc2n1	1032018	ICVNBMQCFSLXET-UHFFFAOYSA-N	500.502	5.077	50	30	KKGC	
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@H](Cl)[C@]2(O)C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]12	196101187	DUYDNPDLGLCXCC-FSYOVWAKSA-N	585.298	7.027	50	30	KKGC	in-vitro
CCCCCC[C@@H]1C=C[C@H](CCCCCCCCN=C=O)[C@H](/C=C/CCCCCCCCN=C=O)[C@@H]1CCCCCC	100485559	NCFRKFKOROVDAZ-PNNOBYJZSA-N	582.958	11.651	50	30	KKGC	
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCBr)OC(=O)CCCCCCCCCCCCCCC	150339389	LJWMXVXFHXNDPS-DHUJRADRSA-N	755.853	11.933	50	30	KKGC	
CCO[P@@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12	97977461	ZIFSFLGSUTZFCP-VOFOVNNNSA-N	592.759	5.435	50	30	KKGC	
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](O)[C@@H](O)[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	306120919	ACJHNDYFTFXEOF-MDYQIFOLSA-N	984.181	5.736	50	30	KKGC	
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	216067411	DIMYHZDULFSWLS-HAEUXOLUSA-N	641.142	11.150	50	30	KKGC	
CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3[C@H](CCCCCCCCCBr)Cc4cc(O)ccc4[C@@H]3CC[C@]12C	257053063	KFPTYJLFIUUHEJ-XKTJFTDLSA-N	519.564	7.922	50	30	KKGC	
N[C@H](CSSC[C@H](N)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@H]1CC1CCCCC1)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1	504736927	GGDNOAWICIHSAW-ZGRJFDBWSA-N	795.136	7.857	50	30	KKGC	
CCO[P@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12	97977460	ZIFSFLGSUTZFCP-VLAOLWQWSA-N	592.759	5.435	50	30	KKGC	in-vitro
C/C(O)=C(\C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@H]1SS(=O)(=O)c1ccc(C)cc1	150388792	JYBFYDOVDDHVMZ-AGFMNEQISA-N	672.781	5.271	50	30	KKGC	
BrCc1cccc(-c2cc(-c3c4ccccc4cc4ccccc34)cc(-c3cccc(CBr)n3)n2)n1	218690277	GWGJBYZTNGPJLZ-UHFFFAOYSA-N	595.338	8.969	50	30	KKGC	
C1C[C@H]2C[C@H]1C[C@@H]2CO[Si](OC[C@H]1C[C@H]2CC[C@H]1C2)(OC[C@@H]1C[C@H]2CC[C@H]1C2)OC[C@@H]1C[C@H]2CC[C@H]1C2	256437108	BZEAMUVUGJOBIB-AFZBVZHQSA-N	528.850	7.233	50	30	KKGC	
CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O[C@@H]2CCCCO2)C[C@@H]2O[C@H]([C@H](I)CCCC(=O)OC)C[C@@H]21	100075954	HJCMOZLETZZMQW-YZOXVNAHSA-N	606.582	5.972	50	30	KKGC	
C[Si](C)(C)OC[C@H]1O[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	223619151	WDTVOIMHBMWKJX-WTGUMLROSA-N	591.024	6.831	50	30	KKGC	
C1C[C@H]2C[C@H]1C[C@@H]2CO[Si](OC[C@H]1C[C@H]2CC[C@H]1C2)(OC[C@H]1C[C@H]2CC[C@H]1C2)OC[C@@H]1C[C@H]2CC[C@H]1C2	256437121	BZEAMUVUGJOBIB-JQCDMFDUSA-N	528.850	7.233	50	30	KKGC	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(=O)OCC	198071211	JFMUNBOCKILXQJ-DTQAVFKASA-N	528.894	9.556	50	30	KKGC	
CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1	238791404	MHNHIGWCUNOEFZ-ZPZOKNLESA-N	578.822	7.136	50	30	KKGC	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	8636906	JESBYGMCLITBEO-ALQBTCKLSA-N	591.100	6.078	50	30	KKGC	
O=C(CCSSc1ccccn1)NCCCCCCNC(=O)CCSSc1ccccn1	22060121	FSJMRAGUAKPKOU-UHFFFAOYSA-N	510.776	5.230	50	30	KKGC	in-vitro
CC(C)[Si](Oc1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc(O[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C	1857524139	SWADPRVLXADONQ-UHFFFAOYSA-N	602.921	9.661	50	30	KKGC	
C=C(Br)C[C@@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OS(=O)(=O)c1ccc(C)cc1	200157946	AYFPFPHCFRCDQE-AREMUKBSSA-N	601.679	6.724	50	30	KKGC	
CCCCCCCC[C@H](CCC)O[C@@H](Oc1c(O[C@H](O[C@H](CCC)CCCCCCCC)c2ccccc2)cc(CCl)cc1O[C@@H](O[C@@H](CCC)CCCCCCCC)c1ccccc1)c1ccccc1	2265362073	AWHYQKABKWBAOG-HUKHNFDGSA-N	997.927	20.466	50	30	KKGC	
Brc1cc(C(Br)Br)c(Br)cc1C(Br)Br	111872275	KLEOTAJNEAAHOP-UHFFFAOYSA-N	579.544	6.788	50	30	KKGC	
CCN(CC)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@@H]12	584641409	LQNXUCJZFHOSCM-GTFGCAHESA-N	510.707	5.739	50	30	KKGC	
CC(C)(C)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1	3120024	USMZMKLEGDYSIT-UHFFFAOYSA-N	596.298	5.747	50	30	KKGC	
CCCCCCCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCCCCCCC	198647840	UBCCOPPQEYCWSM-UHFFFAOYSA-N	538.898	11.731	50	30	KKGC	
c1ccc(COc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2OCc2ccccc2)cc1	205766017	LHQLUVWRXOJCIS-UHFFFAOYSA-N	565.673	8.339	50	30	KKGC	
C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NN)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21	230495004	DOSATGHREPSLQB-UHFFFAOYSA-O	597.827	8.343	50	30	KKGC	
CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](O)[C@]3(O)C[C@H](O[Si](C)(C)C)C(C)=C([C@@H](O[Si](CC)(CC)CC)C(=O)[C@]12C)C3(C)C	196568224	OPJUXNZWUHWYAM-YFTSZZTPSA-N	741.200	7.135	50	30	KKGC	in-vitro
CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	196011565	YUZLCBDCWPRCMA-NZXJAAMGSA-N	620.771	6.056	50	30	KKGC	
Nc1c(C(=O)NNC(=S)Nc2ccc(Cl)cc2Cl)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12	8636622	SHQKTLSDOBFPSN-UHFFFAOYSA-N	565.511	6.546	50	30	KKGC	
CC(=O)N(/N=C/c1ccc(C(F)(F)F)cc1)C1=NN(C(C)=O)[C@H](c2ccc(C(F)(F)F)cc2)S1	2144351	CCGKKMCJPMWFDB-RJVZVWCNSA-N	502.440	5.472	50	30	KKGC	
C=C1/C(=C/C[C@H]2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(=O)OCC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	605699521	NUBKILNTQUZPAJ-MEEZFMFXSA-N	661.173	11.636	50	30	KKGC	
CC(=O)O[C@@H]1CC[C@@H]2[C@H]3[C@H](CC[C@]12C)c1ccc(O)cc1C[C@H]3CCCCCCCCCBr	257053062	KFPTYJLFIUUHEJ-LXOZIDKMSA-N	519.564	7.922	50	30	KKGC	
CCCC[Sn](O)(CCCC)O[Sn](CCCC)(CCCC)N=C=S	306147211	VGXGQBKDGBKKRA-UHFFFAOYSA-M	556.977	6.183	50	30	KKGC	
CCCCCCCCCCCCCCCCCC(=O)NC[C@H](N1CC1)N(C[C@H](O)Cl)[C@H](CNC(=O)CCCCCCCCCCCCCCCCC)N1CC1	267329040	QFTVGOMJHBCFPV-ZZINXLGHSA-N	796.711	10.884	50	30	KKGC	
CC(C)[Si](Oc1ccc(Oc2ccc(CCNC(=O)OC(C)(C)C)cc2I)cc1)(C(C)C)C(C)C	196256803	XSNORFLDJDHTFB-UHFFFAOYSA-N	611.637	8.705	50	30	KKGC	in-vitro
CN(C)[P@](=O)(Cl)OC[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O1	211586895	RCQVHNTXMQCQLT-NXZOSHMYSA-N	698.160	6.612	50	30	KKGC	
CCCCCCCC[C@H](CCC)O[C@H](Oc1cc(CCl)cc(O[C@H](O[C@H](CCC)CCCCCCCC)c2ccccc2)c1O[C@@H](O[C@@H](CCC)CCCCCCCC)c1ccccc1)c1ccccc1	2265362075	AWHYQKABKWBAOG-SZEPBBMMSA-N	997.927	20.466	50	30	KKGC	
O=C(Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3cc(NC(=O)[C@@H](Br)CBr)ccc3S(=O)(=O)O)c(O)c2c1)[C@H](Br)CBr	150651808	ZHHMGDPDMMBKAG-WOFZLLSLSA-N	866.155	5.648	50	30	KKGC	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1NC(=O)c1cccnc1Oc1ccccc1	8626653	XFTQOVPCRSLHDK-UHFFFAOYSA-N	527.795	6.843	50	30	KKGC	
CCCCCCCCCCCCCCCCCC[Si](OCCN(CC)CC)(OCCN(CC)CC)OCCN(CC)CC	195767206	AUOHPMHKGBORIV-UHFFFAOYSA-N	630.132	9.262	50	30	KKGC	
CC(C)C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](OCCCOC[C@H](O)CO)(O4)O1	504789670	IPTTVNMDZCNZCJ-IVUZRYHGSA-N	965.654	6.630	50	30	KKGC	
C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	223542472	SJGONMAIKHNJDL-FICKONGGSA-N	767.432	9.546	50	30	KKGC	
O=C(Cn1nnc(-c2ccccc2Oc2ccc(Cl)cc2Cl)n1)NNC(=S)Nc1ccccc1C(F)(F)F	3126615	PHWVJKZQMUPMME-UHFFFAOYSA-N	582.395	5.476	50	30	KKGC	
CCCCCC[C@@H]1C=C[C@H](CCCCCCCCN=C=O)[C@H](/C=C/CCCCCCCCN=C=O)[C@H]1CCCCCC	256430067	NCFRKFKOROVDAZ-SJNQTHOFSA-N	582.958	11.651	50	30	KKGC	
C[C@]12CC[C@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C	195755237	GDLXXKCOAVFNSJ-ZDNDKIGVSA-N	583.047	7.231	50	30	KKGC	
C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	2048485820	DCCWLTTWSBJXFK-QFOXMNIESA-N	771.257	11.465	50	30	KKGC	
CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1	195888251	MHNHIGWCUNOEFZ-AALIFHQRSA-N	578.822	7.136	50	30	KKGC	
CCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/[C@@H]1CC(=O)OC1=O	216260847	MMUXFLFWXVPEEM-PVPVQFMSSA-N	518.867	11.185	50	30	KKGC	
CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1	238791405	GEYKFJRDKMXPMQ-FYYRRIAOSA-N	702.964	7.691	50	30	KKGC	
Cc1cc2c(c(P(c3ccccc3)c3ccccc3)c1C)[C@@H](P(c1ccccc1)c1ccccc1)c1ccccc1O2	219375787	MLPWTGLQQFTSSI-KDXMTYKHSA-N	578.632	8.390	50	30	KKGC	
Cc1ccc(S(=O)(=O)OC2=C(C#N)CCN(S(=O)(=O)c3ccc(Cl)cc3)c3cc(Cl)ccc32)cc1	2158410	JYYKTXSMSHQMSK-UHFFFAOYSA-N	549.457	5.541	50	30	KKGC	
c1ccc(P(O[C@H]2CCCC23CCC[C@@H]3OP(c2ccccc2)c2ccccc2)c2ccccc2)cc1	2541548	PCHVGYNFFQCAEB-KOPQTXDBSA-N	524.581	7.207	50	30	KKGC	
CCCCCC[C@@H]1C=C[C@H](CCCCCCCCN=C=O)[C@@H](/C=C/CCCCCCCCN=C=O)[C@H]1CCCCCC	604970925	NCFRKFKOROVDAZ-WNDYQNDSSA-N	582.958	11.651	50	30	KKGC	
CCCCCCC[C@H]1CC[C@H](c2ccc(CC[C@H]3CC[C@H](c4ccc(N=C=S)cc4)CC3)cc2)CC1	257354944	GBOGSORKZCCKOJ-OPDLBQQDSA-N	501.824	10.962	50	30	KKGC	
O=C(OC[C@H]1O[C@H](Cl)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	100052965	XVLSIQHWHHLLPV-ODAXIHTASA-N	584.235	6.219	50	30	KKGC	in-vitro
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CCl)OC(=O)CCCCCCC/C=C\CCCCCCCC	72399756	BLQSPZHGZHJLGB-LLWMBOQKSA-N	639.446	12.755	50	30	KKGC	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O	198071242	CTZMHDJIUFEYKE-LCVQWEJOSA-N	514.911	9.763	50	30	KKGC	in-vitro
C[C@H](C(=O)N/N=C/c1c(Cl)cccc1Cl)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	2148232	MAFXIORBFPOERM-JFJHWZAZSA-N	525.240	5.396	50	30	KKGC	
Cc1ccc(OCC(=O)NNC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c2c1CCC2	3137767	SKORQGBGYFMPPW-UHFFFAOYSA-N	513.619	5.124	50	30	KKGC	
Nc1c(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12	8636617	VNMPMSOULSYPIP-JEPNHJGPSA-N	555.663	6.950	50	30	KKGC	
CCCCC[C@H](CCCCNC(=O)[C@@]1(CCCCC(=O)O)SC[C@@H]2NC(=O)N[C@@H]21)c1cccc(C(=O)NNCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)ON2C(=O)CCC2=O)c1C	150350652	OSEOPBIHXUVPSU-UAIIQPSASA-N	902.125	5.031	50	30	KKGC	
CC(C)C(c1c(O[Si](C)(C)C)nc(O[Si](C)(C)C)nc1O[Si](C)(C)C)c1c(O[Si](C)(C)C)nc(O[Si](C)(C)C)nc1O[Si](C)(C)C	195799887	RUCCFGGIFJEAJU-UHFFFAOYSA-N	743.364	9.337	50	30	KKGC	
C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](/N=C/c1cc2ccccc2c(-c2c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc3ccccc23)c1O)c1ccnc2ccccc12	2265362211	HJVPMMQNVLOVDY-OGXDAVGKSA-N	828.145	11.909	50	30	KKGC	
C1C[C@H]2C[C@H]1C[C@@H]2CO[Si](OC[C@@H]1C[C@H]2CC[C@H]1C2)(OC[C@@H]1C[C@H]2CC[C@H]1C2)OC[C@@H]1C[C@H]2CC[C@H]1C2	256437114	BZEAMUVUGJOBIB-HSOBYGOVSA-N	528.850	7.233	50	30	KKGC	
CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@](C)(F)[C@@H]2O[Si](C(C)C)(C(C)C)O1	1774020841	AFFAWYMFDYOSJK-QFZPQEGWSA-N	605.856	5.912	50	30	KKGC	
C[C@@H](CCCCCCCCCCCCCCCCCCCC[C@@H](C)O[Si](C)(C)C)O[Si](C)(C)C	195765956	BPJNQAUKOMIFKG-RNPORBBMSA-N	515.028	11.268	50	30	KKGC	
CCCCCCCCCCCCCCCCCC(=O)OC(=O)[C@@H](CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC(C)C	150354224	RVYAGHQQSCEGMA-MPLRIKRWSA-N	803.439	19.313	50	30	KKGC	
O=C(CN1c2ccccc2Sc2ccccc21)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1	8636829	QKSWVJFMOCJMDD-ZCTHSVRISA-N	501.615	6.292	50	30	KKGC	
N#CC1=C(N)Oc2c3c(c4ccccc4c2[C@@H]1c1ccc(C(F)(F)F)cc1)[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O3	8618061	LUSGDTGIJXKHQM-DNQXCXABSA-N	604.510	7.314	50	30	KKGC	
Cc1nn(-c2ccccc2)cc1/C=N/NC(=O)c1oc2nc(-c3cccs3)cc(-c3ccco3)c2c1N	8636942	QUTXMTGREMJUIA-IPPBACCNSA-N	508.563	5.657	50	30	KKGC	
CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	195931380	RKPWDVVMCBUEMP-UMCMBGNQSA-N	644.482	7.762	50	30	KKGC	in-vitro
CN(C)[P@](=O)(Cl)OC[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H](n2ccc(=NC(=O)c3ccccc3)nc2O)O1	616589259	RCQVHNTXMQCQLT-ICARULAMSA-N	698.160	6.446	50	30	KKGC	
N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1=O	95725765	KUNZIYFWTOXFCD-BBUXEPKYSA-N	610.077	6.105	50	30	KKGC	
BrCc1c(Br)c(Br)c(CBr)c(Br)c1Br	111873539	OXPRYRDKGWKGSY-UHFFFAOYSA-N	579.544	6.526	50	30	KKGC	
CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1	144682535	RJCWBNBKOKFWNY-ITSUJRBISA-N	554.722	6.730	50	30	KKGC	
CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OP(c2ccccc2)c2ccccc2)[C@H]1OP(c1ccccc1)c1ccccc1	217701276	VDNNRBDPKKKMFA-BFGQYWEMSA-N	650.648	6.338	50	30	KKGC	
C[Si](C)(C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	223460746	TWTAOBZCYUMKEL-PTGPVQHPSA-N	708.139	7.238	50	30	KKGC	
CCCCCCCCCCCCCCCCCC(=O)OC(=O)[C@H](CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC(C)C	150354226	RVYAGHQQSCEGMA-OIVUAWODSA-N	803.439	19.313	50	30	KKGC	
C=C1/C(=C/C=C2\CCC[C@]3(C)[C@H]([C@H](C)/C=C/[C@H](OC(C)=O)C4CC4)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	1774020876	LPWPLTVCYWHXIJ-SZYURDOZSA-N	683.179	11.720	50	30	KKGC	
CC[Si](CC)(CC)OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCCN1	197229423	ZWQDXQHXJZYMSN-JOCHJYFZSA-N	639.597	9.779	50	30	KKGC	
CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C	306146491	ISXKXFGJQNACAU-VFJMGZCJSA-N	574.988	9.282	50	30	KKGC	
CCCC[Sn](CCCC)(CCCC)OC(=O)[C@](C)(Br)CBr	196005173	WLXCSAZOCVANKN-KWRROICRSA-M	534.949	6.424	50	30	KKGC	
Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NN(C)C(=S)SCc1c(F)cccc1Cl	1048879	AMIQSDSGTOXRBF-UHFFFAOYSA-N	533.865	6.936	50	30	KKGC	
N[C@H](CSSC[C@H](N)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@H]1CC1CCCCC1	209397557	GGDNOAWICIHSAW-MMEBPJDZSA-N	795.136	7.857	50	30	KKGC	
CCCSc1nc(N[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3C[C@@H](OCCO[Si](C)(C)C(C)(C)C)[C@@H]4OC(C)(C)O[C@@H]43)c2n1	214484257	KCBFXBVBKNVUFW-FFKYQJIISA-N	676.907	6.842	50	30	KKGC	
C=C[Si](O[Si](O[C@@H](C)CC)(O[C@@H](C)CC)O[C@H](C)CC)(O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[C@H](C)CC)O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[C@H](C)CC	299803459	RDWIAMYLLHXUTB-UAGIWZHISA-N	845.422	10.343	50	30	KKGC	
COc1cc([C@H](C/N=C/c2c(F)c(F)c(F)c(F)c2F)O[Si](C)(C)C)ccc1O[Si](C)(C)C	195792185	NSRYHLHYPBHYSV-WBFLIZMFSA-N	505.632	6.616	50	30	KKGC	
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COO[P@](=O)(OO)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC	150349088	MCLJAGWXGPRMBH-UKEUJHLCSA-O	710.951	10.112	50	30	KKGC	
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)nc(/N=C/N(C)C)[nH]c43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	195891410	QLIITSYHYKRUSO-UWPHNAITSA-N	754.961	6.016	50	30	KKGC	
CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OP(c2ccccc2)c2ccccc2)[C@H]1OP(c1ccccc1)c1ccccc1	196038602	VDNNRBDPKKKMFA-BWMPUPLRSA-N	650.648	6.338	50	30	KKGC	
COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2	196124750	LTLNAIFGVAUBEJ-SIDGEOBYSA-N	826.475	6.085	50	30	KKGC	
CCCCCCCCCCCCCCCCCC(=O)NC[C@H](N1CC1)N(C[C@@H](O)Cl)[C@H](CNC(=O)CCCCCCCCCCCCCCCCC)N1CC1	267329033	QFTVGOMJHBCFPV-JCQZPEFCSA-N	796.711	10.884	50	30	KKGC	
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc3cc(C(=O)N4C[C@H](CCl)c5c4cc(O)c4ccccc54)[nH]c3c2)cc1	575440508	MZXQBIDDBQCHFP-NRFANRHFSA-N	611.098	7.609	50	30	KKGC	
O=C(CSc1ncnc2sc3c(c12)CCCC3)N/N=C/c1nn(-c2ccccc2)cc1-c1ccc(Cl)cc1	8636833	QEJPMSYOVQCZRT-HIWRWHBISA-N	559.120	6.319	50	30	KKGC	
Cc1ccccc1P(C[C@H]1OC(C)(C)O[C@H]1CP(c1ccccc1C)c1ccccc1C)c1ccccc1C	59535757	ATSVHBKRAJHXFU-RNPORBBMSA-N	554.651	7.006	50	30	KKGC	
C[Si](C)(C)O[Si](CCl)(O[Si](C)(C)C)O[Si](CCl)(O[Si](C)(C)C)O[Si](C)(C)C	196641480	YFCILVYZCLJCFH-UHFFFAOYSA-N	527.891	5.843	50	30	KKGC	
C[C@@H]1CCc2c(sc3ncnc(SCC(=O)N/N=C/c4ccc(OCc5ccccc5)cc4)c23)C1	8636796	ARRYCBQRAQLKAS-YJDFEONMSA-N	502.665	5.638	50	30	KKGC	
COc1c2c(cc3c1OCO3)[C@H]1[C@@H](C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]2[C@@H]1NS(=O)(=O)c1ccc(C)cc1	2265351517	CWKZHQVIMUGQEQ-DEDUCUARSA-N	629.848	5.730	50	30	KKGC	
COc1cccc(C2=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OC(=O)NC(=O)OC(C)(C)C)c1OC	2265352248	YCOBSPIWFNXBNR-RBBKRZOGSA-N	507.700	6.301	50	30	KKGC	
N#CC1=C(OC(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2N(S(=O)(=O)c2ccc(Cl)cc2)CC1	1046884	AINBECBCBHHAGN-UHFFFAOYSA-N	533.820	6.337	50	30	KKGC	
Nc1c(C(=O)N/N=C/c2ccc(Cl)cc2Cl)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12	8636619	UMXKLWUUKWFKBR-AMVVHIIESA-N	518.429	6.678	50	30	KKGC	
CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C	575231535	ISXKXFGJQNACAU-OWBDPFHKSA-N	574.988	9.282	50	30	KKGC	
O=C(CN1c2ccccc2Sc2ccccc21)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1	8636830	YRLKPRMMQQOLQC-STBIYBPSSA-N	507.644	6.354	50	30	KKGC	
CC(C)C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](OCCCOC[C@H]2CO2)(O4)O1	223507004	YIXMHHZWHIIDAR-XXQJKYTGSA-N	947.639	7.676	50	30	KKGC	
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C	196022283	XVKFSLZSLVBIPO-VPPRDYJQSA-N	530.910	8.734	50	30	KKGC	
C[Si](C)(C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	223460676	SUBGEEAXSQFRTK-PTGPVQHPSA-N	708.139	7.238	50	30	KKGC	
Br[C@H]1CC[C@@H]([C@@H](Br)[C@@H](Br)[C@H]2CC[C@@H](Br)[C@H](Br)C2)C[C@H]1Br	256365709	YBYGCIBLVFGTOD-MMUYANBASA-N	667.738	7.168	50	30	KKGC	
COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O[C@H]2CCCCO2)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	196880881	NNCUXEYCPYHOSU-LADBXRBOSA-N	594.865	5.761	50	30	KKGC	in-vitro
CC(C)C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](OCC[C@@H]2CC[C@H]3O[C@@H]3C2)(O4)O1	604933932	UOULTPZMUFSFHI-LZDYFWHNSA-N	957.678	8.828	50	30	KKGC	
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	72131204	DRJDHVCKVJFJLH-UCEXZFFASA-N	635.414	12.307	50	30	KKGC	in-vitro
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[C@@H](O)OO[P@@](=O)(O)OP(=O)(O)O	299803321	IIPOJVPSOQGXDJ-NHRQRANZSA-N	837.069	14.631	50	30	KKGC	
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	669371024	PGJKESPHANLWME-JNBXEUPQSA-N	970.194	10.101	50	30	KKGC	
O=C(NNC(=O)c1sccc1OCc1ncc(C(F)(F)F)cc1Cl)c1cccc(C(F)(F)F)c1	3129681	KCMLZCSIIGXNMQ-UHFFFAOYSA-N	523.842	5.488	50	30	KKGC	
Cc1cccc(N(NC(=O)c2sc3ccccc3c2Cl)C(=O)c2sc3ccccc3c2Cl)c1	12340503	PQLYVWNHSDTOON-UHFFFAOYSA-N	511.455	7.723	50	30	KKGC	
CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)C(=O)[C@H](Br)[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)C	2265362132	OQIQFVJQPICULU-CCQBUMBUSA-N	523.596	7.592	50	30	KKGC	
C[Si](C)(C)N[C@@H](CN([Si](C)(C)C)[Si](C)(C)C)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C	195777705	JCWAMPCSTDSJOR-QGZVFWFLSA-N	500.994	6.605	50	30	KKGC	
N#Cc1ccc(CC(=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)c2cccc(C(F)(F)F)c2)cc1	256227090	MIFOMMKAVSCNKQ-UHFFFAOYSA-N	506.406	6.244	50	30	KKGC	
O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F	100063851	YEONIHINJPEQCM-UHFFFAOYSA-N	566.076	6.763	50	30	KKGC	
C[C@@H](C(=O)N/N=C/c1c(Cl)cccc1Cl)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	2148227	MAFXIORBFPOERM-CZBKEUHSSA-N	525.240	5.396	50	30	KKGC	
Cc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1OS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C	299803582	ZZMOJCPJGSXIEK-DCMFLLSESA-N	737.165	9.389	50	30	KKGC	
O=C(NN/C(=N\S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)N1CCCC1)c1ccc(Cl)cc1	68169338	CRVWIGCXKLMHBL-UHFFFAOYSA-N	623.082	5.348	50	30	KKGC	
CCCCC[C@H](O[Si](C)(C)C)[C@@H](C[C@@H](CCCCCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C	195790523	SOGDCAWGODWBMZ-KWXIBIRDSA-N	563.057	8.911	50	30	KKGC	
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4cncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	264006257	PPQDUERYNRWJQB-DFDZFBLHSA-N	869.089	9.801	50	30	KKGC	
Cl[C@@H](C1=CCN(Cc2ccccc2)C=C1)C(Cl)(Cl)P(CCC1=CCN(Cc2ccccc2)C=C1)CCC1=CCN(Cc2ccccc2)C=C1	263589710	PVXJFOBFYWYCCN-RWYGWLOXSA-N	729.176	10.855	50	30	KKGC	
CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@H](OP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@H]1OC(=O)c1ccccc1	197974036	XKMLJQTZDXMHNI-UUVAXLILSA-N	882.971	9.774	50	30	KKGC	
CC(C)(O[Si](OC(C)(C)C(=O)c1ccccc1)(OC(C)(C)C(=O)c1ccccc1)OC(C)(C)C(=O)c1ccccc1)C(=O)c1ccccc1	198030428	WLGKVFMTMUATFP-UHFFFAOYSA-N	680.870	8.134	50	30	KKGC	
CCCSc1nc(Cl)c(N)c(N[C@H]2C[C@@H](OCCO[Si](C)(C)C(C)(C)C)[C@@H]3OC(C)(C)O[C@H]23)n1	214484120	ANZTVNGXTAGOQI-IDCNUPLLSA-N	533.211	5.326	50	30	KKGC	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	2162694	UUBHAVLRNHHTSG-UHFFFAOYSA-N	584.674	7.926	50	30	KKGC	
CCO[Si](CC[Si](C)(C)O[Si](C)(C)CC[Si](OCC)(OCC)OCC)(OCC)OCC	198525574	JQCCEDUTYZNWDO-UHFFFAOYSA-N	514.957	5.510	50	30	KKGC	
N#CC1=C(OS(=O)(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2N(S(=O)(=O)c2ccc(Cl)cc2)CC1	2153648	RJSXTKVIFUTBDD-UHFFFAOYSA-N	569.875	5.886	50	30	KKGC	
CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NC2=NN(c3ccccc3OC(F)(F)[C@@H](F)Cl)C(=O)C2)cc1	150420321	ANNZWPZMJJEIQM-JGCGQSQUSA-N	672.254	9.610	50	30	KKGC	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)OCCC[N+](C)(C)CCOC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2)cc1	100051541	LOIBKNKBFZKAQY-AMLXCYGQSA-N	600.784	5.446	50	30	KKGC	
C[C@@H](O[P@](=O)(CCCl)OCCCl)[P@@](=O)(OCCCl)O[C@@H](C)P(=O)(OCCCl)OCCCl	256171181	QDLQFWNOQPOPHV-FWROADTQSA-N	610.556	6.551	50	30	KKGC	
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	196198885	FFXHNCNNHASXCT-PCFSTXCHSA-N	988.212	11.054	50	30	KKGC	in-vitro
CSCO[C@@H]1[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O	225582330	CWVIBHROGHPVKN-UNXBZVTQSA-N	649.959	6.055	50	30	KKGC	
C[Si](C)(C)N[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C	195771829	WHJSWJMRFCKOEB-LJQANCHMSA-N	529.048	7.385	50	30	KKGC	
CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C([C@@H](O[Si](CC)(CC)CC)C(=O)[C@]12C)C3(C)C	196085150	ZTAIYJPKYUNPKQ-RHJDUELYSA-N	773.125	7.141	50	30	KKGC	
C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C[C@H](O[Si](CC)(CC)CC)[C@H](OCCCO[Si](CC)(CC)CC)[C@H]1O[Si](CC)(CC)CC	1848349927	FMLLZMNNXLXYIN-WYPFDELQSA-N	771.257	11.465	50	30	KKGC	
C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	1848349922	DCCWLTTWSBJXFK-UGOYHANCSA-N	771.257	11.465	50	30	KKGC	
CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OP(c2ccccc2)c2ccccc2)[C@H]1OP(c1ccccc1)c1ccccc1	217701459	VDNNRBDPKKKMFA-XUCWYYSNSA-N	650.648	6.338	50	30	KKGC	
Cc1cc(C)cc(P(C[C@H]2OC(C)(C)O[C@H]2CP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1	82048355	PWIPOKNGHOZGIG-MAZIBIHTSA-N	610.759	8.240	50	30	KKGC	
CC(C)(c1cc(Br)c(OC(=O)CBr)c(Br)c1)c1cc(Br)c(OC(=O)CBr)c(Br)c1	198030124	MKDRJCMFJFRUQG-UHFFFAOYSA-N	785.741	7.663	50	30	KKGC	
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC	72266845	OYSKUZDIHNKWLV-WWJGEUQESA-N	663.406	6.422	50	30	KKGC	in-man
CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3[C@H](CCCCCCCCCBr)Cc4cc(O)ccc4[C@@H]3CC[C@@]12C	257053060	KFPTYJLFIUUHEJ-CNCVKEEDSA-N	519.564	7.922	50	30	KKGC	
CS/C(=N/S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)NNC(=O)Nc1ccc(Cl)cc1	95747921	BFMBPEYCEFCPNG-UHFFFAOYSA-N	615.084	6.007	50	30	KKGC	
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	263589451	KIELDCCFMKNOOM-HYWITDEOSA-N	968.182	6.765	50	30	KKGC	
C=C1/C(=C/C[C@@H]2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(=O)OCC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	605699522	NUBKILNTQUZPAJ-OUAHGPSFSA-N	661.173	11.636	50	30	KKGC	
C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	1776031846	YYGPOUVOBLNWHS-RNVVARTMSA-N	629.175	12.649	50	30	KKGC	
Cl[C@H](C1=CCN(Cc2ccccc2)C=C1)C(Cl)(Cl)P(CCC1=CCN(Cc2ccccc2)C=C1)CCC1=CCN(Cc2ccccc2)C=C1	150345046	PVXJFOBFYWYCCN-VQJSHJPSSA-N	729.176	10.855	50	30	KKGC	
CC(C)C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](OCC[C@H]2CC[C@@H](O)[C@H](O)C2)(O4)O1	223509314	ROYASXXEZITCBW-BQFYVONFSA-N	975.693	7.782	50	30	KKGC	
CCCCCCCCCCCCCCCCCC[Si](OCCOC)(OCCOC)OCCOC	200055067	WDWQURYXUCLBHM-UHFFFAOYSA-N	506.841	7.176	50	30	KKGC	
N#C/C(=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1	2156729	CSOFTGQESIQFAX-OQLLNIDSSA-N	504.330	5.874	50	30	KKGC	
Cc1cc(C)cc(P(C[C@@H]2OC(C)(C)O[C@H]2CP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1	82048357	PWIPOKNGHOZGIG-UWXQCODUSA-N	610.759	8.240	50	30	KKGC	
BrCc1cc(CBr)c(CBr)c(CBr)c1CBr	111878432	IVNSAUPBGDNDGZ-UHFFFAOYSA-N	542.729	6.161	50	30	KKGC	
CP(c1ccccc1)c1cc(C(C)(C)C)cc2c1Oc1c(P(C)c3ccccc3)cc(C(C)(C)C)cc1C2(C)C	2381449	AZVDMBQYJRQDHH-UHFFFAOYSA-N	566.706	8.838	50	30	KKGC	
CCCOc1c2cccc1C(Br)c1cccc(c1OCCC)C(Br)c1cccc(c1OCCC)C(Br)c1cccc(c1OCCC)C2Br	150485640	VBXPOMDZVSWRRA-UHFFFAOYSA-N	908.404	13.092	50	30	KKGC	
N#CC1=C(N)Oc2c3c(c4ccccc4c2[C@H]1c1ccc(C(F)(F)F)cc1)[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O3	8618060	LUSGDTGIJXKHQM-ZEQRLZLVSA-N	604.510	7.314	50	30	KKGC	
O=C=Nc1ccccc1Cc1cccc(Cc2cccc(Cc3ccccc3N=C=O)c2N=C=O)c1N=C=O	111482214	BYABUGFHWIOBQQ-UHFFFAOYSA-N	512.525	6.328	50	30	KKGC	
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[C@H](O)OO[P@@](=O)(O)OP(=O)(O)O	299803320	IIPOJVPSOQGXDJ-JWNYVEJJSA-N	837.069	14.631	50	30	KKGC	
COc1ccccc1P(CCCP(c1ccccc1OC)c1ccccc1OC)c1ccccc1OC	100415162	SXXPTCXIFIOPQF-UHFFFAOYSA-N	532.557	5.677	50	30	KKGC	
CCO[Si](CCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1)(OCC)OCC	953019442	COWAWBPCENPPGN-UHFFFAOYSA-N	617.783	6.908	50	30	KKGC	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Oc1ccc(/C(C#N)=C/c2ccc(C(F)(F)F)cc2)cc1	2163149	XJUYENVYSSSCDR-QGOAFFKASA-N	543.328	8.259	50	30	KKGC	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/[C@H](O)[C@]1(O)CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12	245344050	XDBLYTWRNMYVCA-PIGSVOKKSA-N	544.937	8.836	50	30	KKGC	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/C(=O)C1CC1	1857792973	NUYHJRKHXJFEFF-NVXUQKDHSA-N	508.863	9.358	50	30	KKGC	
CCCCCCCC/C=C\CCCCCCCOOCC(CC)(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC	223555771	PCPBPOAPTNBARV-PGEUSFDPSA-N	915.523	19.140	50	30	KKGC	
COc1ccc([C@@H]2N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)Cl)c(OC(C)C)c1	504009646	WVTXVYIPSCOCEE-ISJGIBHGSA-N	519.856	7.534	50	30	KKGC	
CCCCCCCCCCCCCCCCOC(=O)Cc1ccc(N(CCCl)CCCl)cc1	95861780	ZWDBEIUHQWOPQY-UHFFFAOYSA-N	500.595	8.538	50	30	KKGC	
Cc1ccc([C@@H]2CCCCN2C(=O)N2CCCC[C@H]2c2ccc(C)c(N(CCCl)CCCl)c2)cc1N(CCCl)CCCl	150357115	BYBRKKDXALTONG-KYJUHHDHSA-N	656.570	8.746	50	30	KKGC	
COc1ccc(CC2OCCO2)c(Br)c1O[C@H]1C(CCN(C)C(=O)OC(C)(C)C)=CCC[C@@H]1O[Si](C)(C)C(C)(C)C	199853977	WYACUIINXITZIM-IGKIAQTJSA-N	656.731	7.488	50	30	KKGC	
CN(C)[P@](=O)(Cl)OC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H](n2ccc(=NC(=O)c3ccccc3)nc2O)O1	616589260	RCQVHNTXMQCQLT-JKRYSHTISA-N	698.160	6.446	50	30	KKGC	
C[C@H](CO)[C@H]1CC[C@H]2/C(=C/[C@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C	195953633	VGPRIHGJOIJOMO-ATMBCGGBSA-N	508.841	6.426	50	30	KKGC	
C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2048485819	DCCWLTTWSBJXFK-HGPZAYISSA-N	771.257	11.465	50	30	KKGC	
COCOc1ccc(C=O)cc1O[C@H]1C(CCN(C)C(=O)c2ccc(Br)cc2)=CCC[C@@H]1O[Si](C)(C)C(C)(C)C	2265352300	ZWXDHWSHNJFULL-YTMVLYRLSA-N	632.668	7.265	50	30	KKGC	
c1ccc(P(c2ccccc2)c2ccc3c(c2[C@@H]2C4=C(CC[C@H]2P(c2ccccc2)c2ccccc2)OCO4)OCO3)cc1	2265364238	RMLJXIQFEXCBST-QZCRLSDHSA-N	614.618	6.768	50	30	KKGC	
C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C	198081707	LRGRUHOGTHGLDT-UHFFFAOYSA-N	978.086	10.575	50	30	KKGC	
CC(C)(c1ccc(Oc2cccc3c2C(=O)OC3=O)cc1)c1ccc(Oc2cccc3c2C(=O)OC3=O)cc1	100232553	NJWZAJNQKJUEKC-UHFFFAOYSA-N	520.493	6.218	50	30	KKGC	
CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)C(=S)SSC(=S)N(C[C@H](CC)CCCC)C[C@H](CC)CCCC	113696430	VTEKOFXDMRILGB-TZLSHIEUSA-N	633.200	12.407	50	30	KKGC	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CP(=O)(c1ccccc1)c1ccccc1	195961509	USKAQMVGUUCIJA-QCVOVQMSSA-N	628.954	10.836	50	30	KKGC	
C[C@@](Br)(CBr)COc1c(Br)cc(Br)cc1Br	111422838	WNMLTOIDDCEBNY-SNVBAGLBSA-N	544.701	5.901	50	30	KKGC	
COC(=O)CCCCCCCCCCCC[C@H](O[Si](C)(C)C)[C@@H](C[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	204984443	MGKXMFDMJJIMHV-OIFRRMEBSA-N	651.239	9.743	50	30	KKGC	
CC(=O)NN(C)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	2141888	RRTSLYBKCWATSQ-UHFFFAOYSA-N	523.377	5.031	50	30	KKGC	
CCCCC[C@@H](/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O[Si](C)(C)C)/C(=N\OC)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	223481015	CAGDKDNXQZFLSL-WJQBODJWSA-N	598.062	8.696	50	30	KKGC	
CCCCCCCCCCCCCCCCCCN(C(=S)SSC(=S)N(CCCCCCCCCCCCCCCCCC)C(C)C)C(C)C	150388124	PAHVWNRWGPYIMP-UHFFFAOYSA-N	773.470	16.881	50	30	KKGC	
COc1cc([C@@H](C/N=C/c2c(F)c(F)c(F)c(F)c2F)O[Si](C)(C)C)ccc1O[Si](C)(C)C	195792184	NSRYHLHYPBHYSV-MFYUCYCASA-N	505.632	6.616	50	30	KKGC	
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(Oc4ccc(Cl)cc4)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	267324803	DHFZITNABJEUHO-CFFQSJKFSA-N	971.605	11.664	50	30	KKGC	
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(OC)nc(NC(C)=O)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	299804391	BIWZKQDWICJCRR-UTESLAMRSA-N	956.167	9.768	50	30	KKGC	
CC[C@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)C[C@H](Br)[C@@H](Br)CCCCCCCC(=O)OC	256705745	BSMVUFPMZLIMHM-MCEUPANISA-N	771.887	8.661	50	30	KKGC	
N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2-c2c(C(=O)OCc3ccccc3Br)cc([N+](=O)[O-])cc21	3138264	ORDBDJAIZYRZSV-UHFFFAOYSA-N	531.278	5.452	50	30	KKGC	
Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	8616556	YUMMACPGSPJZBI-UHFFFAOYSA-N	504.252	6.057	50	30	KKGC	
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O[C@H]2CCCCO2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	263584491	VAQLZJZVGRUENW-TYJJKMFBSA-N	729.292	13.315	50	30	KKGC	
O=C(NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1csc(COc2cc(Cl)cc(Cl)c2)n1	2148443	AOZVKTKGOXZDGW-UHFFFAOYSA-N	594.342	5.690	50	30	KKGC	
C[Si](C)(C)OC[C@H]1O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	195915153	JDAONBLATRVCRV-YYEYMFTQSA-N	919.761	9.478	50	30	KKGC	
CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1	238791403	MHNHIGWCUNOEFZ-CYEGLCQHSA-N	578.822	7.136	50	30	KKGC	
COc1ccc(C(OCCCCCCSSCCCCCCO)(c2ccccc2)c2ccc(OC)cc2)cc1	59145391	FYAHHYSMQZZCCT-UHFFFAOYSA-N	568.845	8.507	50	30	KKGC	
Cc1cc2c(c(P(c3ccccc3)c3ccccc3)c1C)[C@H](P(c1ccccc1)c1ccccc1)c1ccccc1O2	219375702	MLPWTGLQQFTSSI-LDLOPFEMSA-N	578.632	8.390	50	30	KKGC	
CCCOc1c2cccc1[C@@H](Br)c1cccc(c1)[C@H](Br)c1cccc(c1OCCC)Cc1cccc(c1)C2	150344657	DAYIANMJZKLTMU-ACHIHNKUSA-N	634.452	9.728	50	30	KKGC	
CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	604970545	QREAEZONYVKIGK-AXNJPPEJSA-N	534.974	8.701	50	30	KKGC	in-vitro
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]4(C)CC[C@H]32)C1	604970543	ODSRALKJXTXMBT-RVANOVMASA-N	577.011	9.272	50	30	KKGC	in-vitro
C#Cc1c(C#N)ncn1[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	215175438	RJVWHBXVWDAUNX-FXSWLTOZSA-N	592.018	7.436	50	30	KKGC	in-vitro
C=C1Cc2c(O)cc3c(c2O)C(=O)[C@]2(Cl)C[C@@H](Cl)C(C)(C)O[C@@]2(C/C=C(\C)CC[C@H]1Cl)C3=O	263589901	TUASWIIAAPWHMO-MCACGHBKSA-N	513.845	5.836	50	30	KKGC	
COc1ccccc1C1CCN(c2ccc(/C=C/C(=O)NNC(=O)c3ccc(C(F)(F)F)cc3)cc2[N+](=O)[O-])CC1	8647835	UXUUUQRCZADPDW-NTUHNPAUSA-N	568.552	5.481	50	30	KKGC	
C=C[Si](O[Si](O[C@@H](C)CC)(O[C@H](C)CC)O[C@H](C)CC)(O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[C@H](C)CC)O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[C@H](C)CC	299803458	RDWIAMYLLHXUTB-RNIUAXCESA-N	845.422	10.343	50	30	KKGC	
C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CCCC(=O)OC	575231571	LACUDBFJBSQZIP-DOPZDUMDSA-N	514.867	9.166	50	30	KKGC	
C[Si](C)(C)OC[C@H](COP(=O)(OC[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	195811207	OABPYCCCPPLWNE-SFTDATJTSA-N	607.067	7.122	50	30	KKGC	
CCCCCCCCCCCCNC(=S)SSC(=S)NCCCCCCCCCCCC	200299194	GEZLUUMGKOWFLG-UHFFFAOYSA-N	520.984	9.959	50	30	KKGC	
CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](N3c4nc(N)nc(OCc5ccccc5)c4N[C@H]3Br)C[C@H]2O[Si](C(C)C)(C(C)C)O1	604970558	ZQFJWUPEVONXTH-CBUXHAPBSA-N	680.793	6.620	50	30	KKGC	
CC1(C)O[C@H]2[C@H](NC(=O)OCc3ccccc3)C=C(CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)c3ccccc3)[C@H]2O1	2265352185	URXMMGJEFWIKLR-JVYGEBFASA-N	567.755	5.989	50	30	KKGC	
c1ccc(P(c2ccccc2)c2cc3c(cc2-c2cc4c(cc2P(c2ccccc2)c2ccccc2)CCCC4)CCCC3)cc1	105467759	WKTNXUBSGOSFQR-UHFFFAOYSA-N	630.752	8.628	50	30	KKGC	
C[C@]12CC[C@H](O[Si](C)(C)C)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C	195755234	GDLXXKCOAVFNSJ-GUORGERLSA-N	583.047	7.231	50	30	KKGC	
N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)C(=O)NCCc1c[nH]c2ccccc12	1048724	AUTPODSUHIKNDA-GZTJUZNOSA-N	517.429	6.731	50	30	KKGC	
CCOC(=O)c1sc(N(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CC(C)(C)CC2=O	95696327	QMNCIJCUXFPWLJ-UHFFFAOYSA-N	762.569	9.147	50	30	KKGC	
CC(C)=CCC/C(C)=C/CO[Si](C)(OC/C=C(\C)CCC=C(C)C)OC/C=C(\C)CCC=C(C)C	198028544	PMWZOWRXYVGLBS-CDULXAATSA-N	502.856	9.683	50	30	KKGC	
CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1	144682332	RJCWBNBKOKFWNY-FTERKEPZSA-N	554.722	6.730	50	30	KKGC	
COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@@H](C)C[C@H](C)P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C	197336187	OYJAVBPFYHEXDV-LQJZCPKCSA-N	672.827	8.921	50	30	KKGC	
C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	223619209	WDTVOIMHBMWKJX-UAFMIMERSA-N	591.024	6.831	50	30	KKGC	
CO/N=C/[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	223542734	AOTDITUXOFRYQJ-DNDBSCHPSA-N	722.275	8.327	50	30	KKGC	
N[C@H](CSSC[C@H](N)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@H]1CC1CCCCC1)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@H]1CC1CCCCC1	504736926	GGDNOAWICIHSAW-NURFBSRJSA-N	795.136	7.857	50	30	KKGC	
CC(C)=CCC[C@H](C)CCO[Si](C)(OCC[C@H](C)CCC=C(C)C)OCC[C@H](C)CCC=C(C)C	198028576	NITSFAMVQULSDS-OLUZHXLYSA-N	508.904	9.923	50	30	KKGC	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2/C(=C/[C@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C	198071165	ISXKXFGJQNACAU-XYBGMDGHSA-N	574.988	9.282	50	30	KKGC	
O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F	150348128	KRIKPLSQWRBSRS-UHFFFAOYSA-N	666.090	8.033	50	30	KKGC	
Br[C@H]1CC[C@H](Br)[C@H](Br)CCC[C@H](Br)[C@H](Br)C[C@@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	299803211	ARBYVXGPPJEYIQ-WKNPMDNRSA-N	824.088	9.521	50	30	KKGC	
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1	195787336	JESOOKQYHPPUDI-UHFFFAOYSA-N	964.015	9.339	50	30	KKGC	
CCOC(=O)N/N=C(\C)[C@@]1(N=[N+]=[N-])[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	256308142	MCZQQHKOLGEDPS-OTNLJDBCSA-N	501.628	5.023	50	30	KKGC	
CCCCCCCCCCCCSSc1nnc(SSCCCCCCCCCCCC)s1	100311790	ZBADMMCYTSORHN-UHFFFAOYSA-N	551.035	11.861	50	30	KKGC	
N#CC1=C2Sc3ccccc3N2C(/N=C/c2ccccc2)=C(c2nc3ccccc3s2)[C@@H]1c1ccc(Cl)cc1Cl	3026137	GXRNEWWKKXIVFJ-OVUNXFNISA-N	593.564	9.536	50	30	KKGC	
O=C(NNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccnc1Oc1ccccc1	8626510	DWLUEWBMTXMIBJ-UHFFFAOYSA-N	500.424	5.543	50	30	KKGC	
CCCC[Sn](CCCC)(CCCC)OC(=O)[C@@](C)(Br)CBr	196005179	WLXCSAZOCVANKN-NDNWHDOQSA-M	534.949	6.424	50	30	KKGC	
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)O[C@@H]1SC	71789090	OYSKUZDIHNKWLV-KZMVCZLOSA-N	663.406	6.422	50	30	KKGC	in-man
N#CC(C#N)=Cc1ccc(N(CCOC(=O)Nc2ccc(Cl)c(Cl)c2)CCc2ccccc2)cc1	33608760	XKXRMIZXLDXFLQ-UHFFFAOYSA-N	505.405	6.722	50	30	KKGC	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CI)[C@H]3CC[C@@]21C	4216596	FIOAEFCJGZJUPW-FTLVODPJSA-N	512.560	7.804	50	30	KKGC	biogenic,in-man
Cc1c(Cl)c(=O)oc2cc(OP(=O)(OOCCCCCl)OOCCCCCl)ccc12	604934921	ZQXJCSSXDYIQQT-UHFFFAOYSA-N	503.699	6.176	50	30	KKGC	
CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](N3c4nc(N)nc(OCc5ccccc5)c4N[C@@H]3Br)C[C@H]2O[Si](C(C)C)(C(C)C)O1	604970561	ZQFJWUPEVONXTH-MUCKBHKGSA-N	680.793	6.620	50	30	KKGC	
CC(=O)O[C@H]1C(=O)[C@]2(C)C=C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	196894761	STDWDYDOHOANPV-BFKFGTFBSA-N	950.167	7.570	50	30	KKGC	in-vitro
CC(C)C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](OCC[C@@H]2CC[C@H]3O[C@H]3C2)(O4)O1	604933933	UOULTPZMUFSFHI-QOKKTHHXSA-N	957.678	8.828	50	30	KKGC	
CCOC(=O)c1sc(N(NC(=O)c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)c2c1CC(C)(C)CC2=O	95696330	STBFJTJXSXZJSO-UHFFFAOYSA-N	559.471	6.379	50	30	KKGC	
O=C(NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1Cl	95748068	ZSVNLTPWZOQMJR-UHFFFAOYSA-N	514.753	5.020	50	30	KKGC	
C[C@]12CC[C@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C	256427062	GDLXXKCOAVFNSJ-KFFPXHGMSA-N	583.047	7.231	50	30	KKGC	
CCCCCCCC[C@H](CCC)O[C@H](Oc1cc(CCl)cc(O[C@H](O[C@H](CCC)CCCCCCCC)c2ccccc2)c1O[C@@H](O[C@H](CCC)CCCCCCCC)c1ccccc1)c1ccccc1	2265362072	AWHYQKABKWBAOG-DMBXRHDMSA-N	997.927	20.466	50	30	KKGC	
c1ccc(P(c2ccccc2)c2ccc3c(c2[C@H]2C4=C(CC[C@@H]2P(c2ccccc2)c2ccccc2)OCO4)OCO3)cc1	106804582	RMLJXIQFEXCBST-GIWKVKTRSA-N	614.618	6.768	50	30	KKGC	
C[N+]1=C(/C=C/C2=C/C(=C/C=C3/N(CCCCCC(=O)NN)c4ccccc4C3(C)C)CCC2)C(C)(C)c2ccccc21	953077410	DYBAXGNBOKFIHG-UHFFFAOYSA-O	563.810	7.518	50	30	KKGC	
C[Si](C)(C)O[C@@H]([C@@H](CC=O)O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	195811002	VCRGYTRRKFPMMF-NJYVYQBISA-N	605.051	7.063	50	30	KKGC	
CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)OCc1c-2c(=O)oc2cc(O[Si](C)(C)C(C)(C)C)ccc12	195955330	JOCIWKWVRPPRJX-UHFFFAOYSA-N	510.779	8.120	50	30	KKGC	
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CCl)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	72131203	DRJDHVCKVJFJLH-ZHARMHCNSA-N	635.414	12.307	50	30	KKGC	in-vitro
CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](N1CC1)N(C[C@H](O)Cl)[C@H](CNC(=O)CCCCCCCCCCCCCCCCC)N1CC1	198035221	QFTVGOMJHBCFPV-CDKSIVNJSA-N	796.711	10.884	50	30	KKGC	
CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCl	2265343813	FMVZKAPHORZAMF-HSZRJFAPSA-N	501.023	5.397	50	30	KKGC	
Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3c(c2-c2c(P(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4c2OCCN4C)OCCN3C)c1	196078769	NVDNAKSQNFTFDM-UHFFFAOYSA-N	776.942	8.995	50	30	KKGC	
CC/C(=C1/CCCC/C1=C(/CC)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1	100239926	JXAYKIHEKQXYGH-LBYUQGKWSA-N	532.648	9.154	50	30	KKGC	
COc1ccc(CC2OCCO2)c2c1O[C@@H]1[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC=C[C@]21CCN(C)C(=O)OC(C)(C)C	2265351452	AFTYJZOAJDEUJK-JAEGQVKQSA-N	699.961	6.772	50	30	KKGC	
CC(C)(C)c1ccc(C(=O)OC2=C(C#N)CCN(S(=O)(=O)c3ccc(Cl)cc3)c3cc(Cl)ccc32)cc1	2158371	YIORUHWRMVPUQJ-UHFFFAOYSA-N	555.483	6.982	50	30	KKGC	
Cc1ccc(C)c(OCCCCNCCSSCCNCCCCOc2cc(C)ccc2C)c1	31881343	MTOHLTDXNXBNJC-UHFFFAOYSA-N	504.806	6.499	50	30	KKGC	
O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F	150383471	ULTHBMBLJPAOJW-UHFFFAOYSA-N	766.104	9.304	50	30	KKGC	
C[Si](C)(C)c1cc(P(Cl)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)cc([Si](C)(C)C)c1	198462731	QRDOPNHGCZDVNM-UHFFFAOYSA-N	509.371	5.454	50	30	KKGC	
C#Cc1c(C#N)ncn1[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	247538601	RJVWHBXVWDAUNX-XDZVQPMWSA-N	592.018	7.436	50	30	KKGC	in-vitro
Cc1cc(C(=O)NC(=O)NNc2c(Cl)cncc2Cl)nn1-c1c(Cl)cc(Cl)cc1Cl	3119800	LEQXGRFMDGDMCC-UHFFFAOYSA-N	508.580	5.309	50	30	KKGC	
O=S(=O)(O)c1cc(/N=N/c2ccc(OC[C@@H](O)CCl)cc2)ccc1/C=C/c1ccc(/N=N/c2ccc(OC[C@@H](O)CCl)cc2)cc1S(=O)(=O)O	198007598	YKVXKZMMZRLTAE-JSMUMMDVSA-N	765.650	7.138	50	30	KKGC	
CC1(C)CC[C@]2(C(=O)OCCBr)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	44052568	AWEKTNNNXSTPIC-DFHVBEEKSA-N	563.661	8.087	50	30	KKGC	
CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)C(=O)[C@H](Br)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]12	2265362133	OQIQFVJQPICULU-GQNZFUKPSA-N	523.596	7.592	50	30	KKGC	
O=C(NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	95748069	MGBVLEGGVAVJIZ-UHFFFAOYSA-N	548.305	5.385	50	30	KKGC	
CCO/N=C(\CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	195793652	ACXXMPWWLLJSAA-SZNNIIRLSA-N	736.302	8.718	50	30	KKGC	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(=O)OCC	195888976	JFMUNBOCKILXQJ-PUFGCLJPSA-N	528.894	9.556	50	30	KKGC	
Br[C@H]1/C=C\[C@H](Br)[C@H](Br)/C=C\[C@H](Br)[C@H](Br)/C=C\[C@@H]1Br	198018910	HVIIZEINTLSKNX-IYQRCKEHSA-N	635.652	6.250	50	30	KKGC	
Br[C@H]1/C=C\[C@@H](Br)[C@@H](Br)/C=C\[C@@H](Br)[C@H](Br)/C=C\[C@@H]1Br	2265328765	HVIIZEINTLSKNX-SJGPVWFMSA-N	635.652	6.250	50	30	KKGC	
C[C@@H](C(=O)OC(=O)/C=C\C(=O)OCCOCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1cccc(C(=O)c2ccccc2)c1	150413065	YCPBRLPCFYPPBB-XZDIFKBOSA-N	709.239	6.268	50	30	KKGC	
CCCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4)N(CC)CC	299754758	OPFFQPAPHBUEBG-WLHBDOOWSA-N	868.034	5.923	50	30	KKGC	
COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	271778144	SKNLXHRBXYGJOC-GMJNKOMASA-N	861.062	8.924	50	30	KKGC	
COCOC(C)(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@@]21C	605700072	JBPFDWZWJVOYNI-HTQFJTHWSA-N	689.227	12.248	50	30	KKGC	
CC1(C)C(/C=C/C2=C(Cl)/C(=C\C=C3/N(CCCN=C=S)c4ccccc4C3(C)C)CCC2)=[N+](CCCN=C=S)c2ccccc21	150484274	MMTQOESNSCQUDK-UHFFFAOYSA-N	654.369	9.890	50	30	KKGC	
CC(C)=CCC[C@H](C)CCO[Si](C)(OCC[C@@H](C)CCC=C(C)C)OCC[C@H](C)CCC=C(C)C	198028570	NITSFAMVQULSDS-RWSKJCERSA-N	508.904	9.923	50	30	KKGC	
CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1	204190645	GEYKFJRDKMXPMQ-MHUNNFNASA-N	702.964	7.691	50	30	KKGC	
Cc1c(C)c(C)c(CSc2nnc(/C(C#N)=C/c3ccc(Cl)cc3Cl)n2-c2ccccc2)c(C)c1C	8629706	PKHBHVGLGQKRDW-YDZHTSKRSA-N	533.528	8.473	50	30	KKGC	
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C(=O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	196098754	OOEFJWPTKXCMDU-ZDWMPNFLSA-N	639.126	11.358	50	30	KKGC	
C[Si](OCCc1ccccc1)(OCCc1ccccc1)O[Si](C)(OCCc1ccccc1)OCCc1ccccc1	198026699	BSRHMMTVYOCSGA-UHFFFAOYSA-N	586.877	7.178	50	30	KKGC	
C[S@@](=O)(=N/C=C(\C#N)S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Oc2cccc(F)c2C#N)cc1	8648458	OANCZMPUXHWUAC-VWHUUSICSA-N	550.515	5.199	50	30	KKGC	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)SSC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150387423	OCCOAYPOGQDEOQ-UHFFFAOYSA-N	702.214	9.760	50	30	KKGC	
COCO[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]2[C@H]2[C@@H]1c1cc3c(cc1CN2S(=O)(=O)c1ccc(C)cc1)OCO3	2265351500	CROFIJVYMZCGGL-HPSFBBAHSA-N	647.863	5.294	50	30	KKGC	
ClP1(Cl)(Cl)n2c3ccc2C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=c2ccc(n21)=C(c1ccccc1)C1=NC(=C3c2ccccc2)C=C1	223700986	ZMYSCBPBFMGRPZ-UHFFFAOYSA-N	750.069	10.496	50	30	KKGC	
NNC(=O)c1ccc(-c2c3nc(c(-c4ccc(C(=O)NN)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)NN)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)NN)cc4)c4nc2C=C4)C=C3)cc1	2265385701	GDBFHOMFIREROJ-UHFFFAOYSA-N	846.912	5.738	50	30	KKGC	
COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(/N=C/N(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	1774020910	QLIITSYHYKRUSO-UGVUUXJUSA-N	754.961	6.428	50	30	KKGC	
CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)NC)cc1NC(=O)[C@@H](Cl)C(=O)C(C)(C)C	111401440	SJAQFWWPZHJRPU-MHZLTWQESA-N	587.267	7.616	50	30	KKGC	
C[C@@H](CCCCCCCCCCCCCCCCCCCC[C@H](C)O[Si](C)(C)C)O[Si](C)(C)C	195765960	BPJNQAUKOMIFKG-KYJUHHDHSA-N	515.028	11.268	50	30	KKGC	
C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	212163787	DIMYHZDULFSWLS-VWHDTGRGSA-N	641.142	11.150	50	30	KKGC	
CCCCCCCCCC(C)(C)SSc1nnc(SSC(C)(C)CCCCCCCCC)s1	111411395	XFAHFFMTBQKDHA-UHFFFAOYSA-N	551.035	11.857	50	30	KKGC	
CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)nccc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	575124493	SOGOMPJANKBXFD-KBQHCZQWSA-N	609.049	7.714	50	30	KKGC	in-vitro
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	1774020912	AUSYBOBGFIDGBK-LBFZIJHGSA-N	753.973	7.830	50	30	KKGC	
Cc1c(C)c(C)c(C(=O)c2ccccc2C(=O)NNC(=O)c2sc3ccccc3c2Cl)c(C)c1C	3161718	UXTVIXUVNWFZPS-UHFFFAOYSA-N	505.039	6.403	50	30	KKGC	
BrCc1c(CBr)c(CBr)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(CBr)c1CBr	195766742	CFJNOXGOGZKXCJ-UHFFFAOYSA-N	818.040	9.655	50	30	KKGC	
C[Si](C)(C)OC[C@@H](COP(=O)(OC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	195811208	OABPYCCCPPLWNE-NHCUHLMSSA-N	607.067	7.122	50	30	KKGC	
COCO[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]2[C@@H]2[C@@H]1c1cc3c(cc1CN2S(=O)(=O)c1ccc(C)cc1)OCO3	2265351498	CROFIJVYMZCGGL-BSEVETGLSA-N	647.863	5.294	50	30	KKGC	
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	271773668	FFXHNCNNHASXCT-UKRCFFTKSA-N	988.212	11.054	50	30	KKGC	in-vitro
CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(\C)C=O)C5=O)C3=O)C=CC(C)(C)O2	299803238	COQAPWLZSHQTKA-ZPEITDRNSA-N	544.644	5.627	50	30	KKGC	
CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H]2[C@@H](Oc3nc4nc(-c5ccc(-c6ccccc6)cc5)c(Cl)cc4n3COCC[Si](C)(C)C)CO[C@@H]12	2265362051	LYSWMXGVMIGDEL-ULDMLYOQSA-N	694.421	8.666	50	30	KKGC	
CC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1	195351227	RZWFBNOFUAHADD-VTYRCZOESA-N	582.854	6.591	50	30	KKGC	
CCO[Si](CCCOC(OCCC[Si](OCC)(OCC)OCC)C(OCCC[Si](OCC)(OCC)OCC)OCCC[Si](OCC)(OCC)OCC)(OCC)OCC	198022390	ZFGKRUSODAXGST-UHFFFAOYSA-N	911.434	7.459	50	30	KKGC	
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	196193861	DIMYHZDULFSWLS-GJJUSKGDSA-N	641.142	11.150	50	30	KKGC	
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CCl)COC(=O)CCCCCCCCCCCCCCC	72400275	KBIIPAPVKFNOGB-YAIZGCQRSA-N	611.392	11.975	50	30	KKGC	in-vitro
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CCl)OC(=O)CCCCCCCCCCCCCCCCC	72399767	YLTQZUQMHKFAHD-QNGWXLTQSA-N	643.478	13.203	50	30	KKGC	
CC(C)=CCC[C@@H](C)CCO[Si](C)(OCC[C@H](C)CCC=C(C)C)OCC[C@H](C)CCC=C(C)C	257049130	NITSFAMVQULSDS-JFHPUIQFSA-N	508.904	9.923	50	30	KKGC	
ICCCCCCCCCCC1(CCCCCCCCCCI)c2cc(I)ccc2-c2ccc(I)cc21	150363125	QCRDXCKVEJCLRS-UHFFFAOYSA-N	950.347	13.054	50	30	KKGC	
CCOC(=O)CC[C@H](O[SiH](O[C@@H](CCC(=O)OCC)c1ccccc1)c1ccccc1)c1ccccc1	195785738	ALWAHKLUPOQVLW-NSOVKSMOSA-N	520.698	5.317	50	30	KKGC	
C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	214478278	PWMVYLIDCDDJNG-YATUPEMTSA-N	643.202	12.895	50	30	KKGC	
CCCOc1c2cccc1C(CCl)c1cccc(c1OCCC)C(CCl)c1cccc(c1OCCC)C(CCl)c1cccc(c1OCCC)C2CCl	263583809	AWWJXFHNRRNSAG-UHFFFAOYSA-N	786.708	12.638	50	30	KKGC	
Br/C(=C(/Br)C(Br)Br)C(Br)Br	111360764	VNDVTDGELDURCN-OWOJBTEDSA-N	529.484	5.220	50	30	KKGC	
CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c3N3C=CN[C@H]3N=C4OCc3ccccc3)[C@@](O)(C(=S)Oc3ccccc3)[C@@H]2O[Si](C(C)C)(C(C)C)O1	205473590	NTZQXSVPOWRSLN-LJWFSQQNSA-N	778.093	7.016	50	30	KKGC	
C[C@H](C(=O)OC(=O)/C=C\C(=O)OCCOCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1cccc(C(=O)c2ccccc2)c1	150413071	YCPBRLPCFYPPBB-MPQOQOGDSA-N	709.239	6.268	50	30	KKGC	
O=S(=O)(O)c1cc(/N=N/c2ccc(OC[C@H](O)CCl)cc2)ccc1/C=C/c1ccc(/N=N/c2ccc(OC[C@@H](O)CCl)cc2)cc1S(=O)(=O)O	198007606	YKVXKZMMZRLTAE-GMQQYVJISA-N	765.650	7.138	50	30	KKGC	
CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](N1CC1)N(C[C@@H](O)Cl)[C@H](CNC(=O)CCCCCCCCCCCCCCCCC)N1CC1	198035214	QFTVGOMJHBCFPV-ANHQSGTJSA-N	796.711	10.884	50	30	KKGC	
C[C@@]1(CO)CC[C@H](CP(c2ccccc2)c2ccccc2)[C@@]1(C)CP(c1ccccc1)c1ccccc1	100009589	HZKJMTZOHOPCOR-WEQWWUEYSA-N	524.625	6.667	50	30	KKGC	
C=C1/C(=C\CO)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	1848349929	LKDMRCVDAOOZGO-NRENXBGYSA-N	587.079	8.443	50	30	KKGC	
Cc1c(Br)c(=O)n(C2CCCC2)c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)ncc12	1774020948	JZXGPDAMTMMVSJ-UHFFFAOYSA-N	569.463	5.597	50	30	KKGC	
O=C(NN=Cc1ccc(C(F)(F)F)cc1)C1=NO[C@H](CN(CCNc2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2ccc(F)cc2)C1	254822576	BJPIGQCNFFVNGY-FQEVSTJZSA-N	695.017	5.310	50	30	KKGC	
CCOC(=O)N/N=C(\C)[C@@]1(N=[N+]=[N-])[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C	256308149	MCZQQHKOLGEDPS-PKZHFRPZSA-N	501.628	5.023	50	30	KKGC	
C=C1/C(=C\CO)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	2048485867	LKDMRCVDAOOZGO-DMPLEQDFSA-N	587.079	8.443	50	30	KKGC	
CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c3N3C=CN[C@@H]3N=C4OCc3ccccc3)[C@@](O)(C(=S)Oc3ccccc3)[C@@H]2O[Si](C(C)C)(C(C)C)O1	205473574	NTZQXSVPOWRSLN-BGVHISEMSA-N	778.093	7.016	50	30	KKGC	
C[Si](C)(C)Nc1nc(O[Si](C)(C)C)c2ncn([C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)c2n1	197477242	WBZAZQAAZNLPHS-UMCMBGNQSA-N	644.159	6.476	50	30	KKGC	
COc1ccc(C(O[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c(O)nc(/N=C/N(C)C)nc43)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	1774020907	CTUAKQKWOFVGMG-UWPHNAITSA-N	754.961	6.428	50	30	KKGC	
Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)NN(C(=O)c1scc(S(=O)(=O)c2ccc(Cl)cc2)c1C)c1ccc(OC(F)(F)F)cc1	95739685	DAUYMNDNTRIBBR-UHFFFAOYSA-N	789.684	8.289	50	30	KKGC	
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](/N=C/c1cc2ccccc2c(-c2c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc3ccccc23)c1O)c1ccnc2ccccc12	2265362212	HJVPMMQNVLOVDY-RYGIRHRVSA-N	828.145	11.909	50	30	KKGC	
COC(=O)CC(=O)C[C@@H](O)/C=C/c1c(C(C)C)nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1	196769103	NEALNHCVMFMQTQ-QDEBQFNMSA-N	571.806	7.553	50	30	KKGC	in-vitro
CC(C)C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](OCC[C@@H]2CC[C@@H]3O[C@@H]3C2)(O4)O1	604933931	UOULTPZMUFSFHI-KVNUNZESSA-N	957.678	8.828	50	30	KKGC	
COc1ccc([C@@H]2N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)Cl)c(OC(C)C)c1	214468166	WVTXVYIPSCOCEE-DSNGMDLFSA-N	519.856	7.534	50	30	KKGC	
C[C@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@H]3[C@@H]1C[C@@H](Br)C2=O	5822732	ADSWXPLGWUHJRG-GYYZZVMYSA-N	507.060	5.716	50	30	KKGC	in-vitro
CCC(CC)CO[Si](OCC(CC)CC)(OCC(CC)CC)O[Si](OCC(CC)CC)(OCC(CC)CC)OCC(CC)CC	195767911	LZABKCXEHHOOHI-UHFFFAOYSA-N	679.185	10.591	50	30	KKGC	
CCCCCCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCCCCCC	100140840	QMXBAGNATMRETP-UHFFFAOYSA-N	510.844	10.950	50	30	KKGC	
C[C@H](C(=O)OC(=O)/C=C\C(=O)OCCOCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1cccc(C(=O)c2ccccc2)c1	150413059	YCPBRLPCFYPPBB-VKMHUSQESA-N	709.239	6.268	50	30	KKGC	
CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)[C@@H](Cl)C(=O)C(C)(C)C)c1	111885375	HDEQFLUBPSWEDN-SANMLTNESA-N	591.686	8.724	50	30	KKGC	
CCCCCCCCO[Si](CCCNCCN)(OCCCCCCCC)OCCCCCCCC	195767634	IIFQOFYIMRYCNC-UHFFFAOYSA-N	516.928	7.995	50	30	KKGC	
CCCCCCCC[C@H](CCC)O[C@H](Oc1cc(CCl)cc(O[C@H](O[C@H](CCC)CCCCCCCC)c2ccccc2)c1O[C@H](O[C@H](CCC)CCCCCCCC)c1ccccc1)c1ccccc1	2265362074	AWHYQKABKWBAOG-IGLYOLKQSA-N	997.927	20.466	50	30	KKGC	
C[C@H](CO)[C@H]1CC[C@@H]2/C(=C/[C@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C	198071185	VGPRIHGJOIJOMO-VSVVMCDWSA-N	508.841	6.426	50	30	KKGC	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C	1026738	IJIPOVFVOYHIKW-UHFFFAOYSA-N	540.190	6.302	50	30	KKGC	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)cc1CSc1nc2ccccc2o1	299803341	JWOMIAOOQNBWBK-XJECJHNESA-N	629.138	7.180	50	30	KKGC	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI	150384256	GCGKXUZHBVVLML-UHFFFAOYSA-N	974.068	11.903	50	30	KKGC	
CCCCCC[C@H](Cl)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](Cl)C[C@H](Cl)CCCCCCCCCO[Si](C)(C)C	195808103	PYMYVJXXZGZEFJ-APMFGMRCSA-N	664.464	11.582	50	30	KKGC	
COc1ccccc1-c1nc(C)c2c(C)c(C(=O)NNC(=O)Nc3cccc(C(F)(F)F)c3)sc2n1	1032051	RBJWUXINPOUPLB-UHFFFAOYSA-N	515.517	5.469	50	30	KKGC	
CC(C)(C)c1cc(C(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(Cc2ccc(F)cc2)n1	95703702	LOZABAIVGLXTBL-UHFFFAOYSA-N	530.444	5.480	50	30	KKGC	
CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O[C@@H]2CCCCO2)C[C@@H]2O[C@H]([C@@H](I)CCCC(=O)OC)C[C@@H]21	100075964	HJCMOZLETZZMQW-GDKDOQGPSA-N	606.582	5.972	50	30	KKGC	
CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OP(c2ccccc2)c2ccccc2)[C@H]1OP(c1ccccc1)c1ccccc1	217701360	VDNNRBDPKKKMFA-QJZZFSCZSA-N	650.648	6.338	50	30	KKGC	
CCCC[C@H](CC)CN(C[C@H](CC)CCCC)C(=S)SSC(=S)N(C[C@H](CC)CCCC)C[C@H](CC)CCCC	256960052	VTEKOFXDMRILGB-ANLCFORVSA-N	633.200	12.407	50	30	KKGC	
CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1	144682741	RJCWBNBKOKFWNY-FSVHOLCTSA-N	554.722	6.730	50	30	KKGC	
CC12CC3(SSC45CC6(C)S[C@@](C)(S4)C(C)(C)[C@](C)(S6)S5)S[C@](C)(S1)C(C)(C)[C@@](C)(S2)S3	100068082	DNLHYDCHTKJPIG-ZELLTDLISA-N	619.184	10.752	50	30	KKGC	
O=C(CSC1CN(C(c2ccccc2)c2ccccc2)C1)NNC(=O)Nc1cc(Cl)cc(Cl)c1	63598833	HMPNFNZKIXGPMY-UHFFFAOYSA-N	515.466	5.353	50	30	KKGC	
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CBr	77313067	SRKXEISKIAWCGM-MEGGAXOGSA-N	693.983	16.160	50	30	KKGC	in-vitro
COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	196945007	KVHQIELPHWJPSY-VDYOSWSPSA-N	660.840	5.211	50	30	KKGC	
CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@]2(CCc4cccc(C5=N[C@H](Cc6ccccc6)CO5)c42)CC3)cc(C(C)(C)C)c1	209789707	UAWQRALEHCBVCD-YSIHZUGSSA-N	788.113	12.201	50	30	KKGC	
BrCc1c(Br)c(CBr)c(CBr)c(CBr)c1CBr	150368666	FJBNKINHDKQRFO-UHFFFAOYSA-N	621.625	6.924	50	30	KKGC	
COC(=O)CCCCCCCCCCCC[C@H](O[Si](C)(C)C)[C@H](C[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	204984488	MGKXMFDMJJIMHV-DTXPUJKBSA-N	651.239	9.743	50	30	KKGC	
CN1C(=O)[C@H](Cc2cc(CP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)cc(-c3ccccc3Cl)c2)N[C@H]1C(C)(C)C	214486947	AOXVANDYHWTODN-AHKZPQOWSA-N	595.269	7.748	50	30	KKGC	
CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)Cc2cncn2C)c(C(C)C)c1	195844491	WRQMRAGSDVXWEV-HKBQPEDESA-N	660.013	7.257	50	30	KKGC	in-vitro
CC1(C)O[C@H](CP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)[C@H](CP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)O1	195792973	IWUVZYAJPOAIGF-RNPORBBMSA-N	770.531	9.848	50	30	KKGC	
CCN1/C(=C/C=C2\CCC/C(=C\C=C3/Sc4ccccc4N3CC)C2=C(C#N)C#N)Sc2ccccc21	39440214	AUNNOOXNARRSIW-INDCHUMNSA-N	520.727	8.314	50	30	KKGC	
O=C(NNC(=O)c1sccc1OCc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cc1	3137881	KXLZKEYFLJODLN-UHFFFAOYSA-N	505.305	5.514	50	30	KKGC	
CCCCCCCCCc1ccc(OP(Cl)Oc2ccc(CCCCCCCCC)cc2)cc1	95669495	XWUQKTYXUWUEDG-UHFFFAOYSA-N	505.123	11.196	50	30	KKGC	
O=C(NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F	95742548	ZGOQOYLFMADOMX-UHFFFAOYSA-N	580.816	5.205	50	30	KKGC	
O=C(CN1c2ccccc2Sc2ccccc21)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	8636831	IJGJEGRJBKNGTM-FDAWAROLSA-N	546.612	6.201	50	30	KKGC	
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COO[P@@](=O)(OO)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC	150349091	MCLJAGWXGPRMBH-QDYXQPGLSA-O	710.951	10.112	50	30	KKGC	
C[Si](C)(C)O[C@H](C=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	195811313	SYSDCRVMPYSIMD-MOUTVQLLSA-N	693.233	7.893	50	30	KKGC	
CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O[Si](C)(C)C)C(C)=C([C@@H](O[Si](CC)(CC)CC)C(=O)[C@]12C)C3(C)C	196568214	CYABQVXMGTVARC-KATQKFOVSA-N	845.308	9.000	50	30	KKGC	
CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O[C@@H]2CCCCO2)C[C@@H]2O[C@@H]([C@H](I)CCCC(=O)OC)C[C@@H]21	100075950	HJCMOZLETZZMQW-VGCUTEAASA-N	606.582	5.972	50	30	KKGC	
C[Si](C)(C)N[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C	195771830	WHJSWJMRFCKOEB-IBGZPJMESA-N	529.048	7.385	50	30	KKGC	
CC(C)C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](OCC[C@@H]2CC[C@@H]3O[C@H]3C2)(O4)O1	604933930	UOULTPZMUFSFHI-IDOQRXPGSA-N	957.678	8.828	50	30	KKGC	
Cc1ccc([C@@H]2CCCCN2C(=O)N2CCCC[C@@H]2c2ccc(C)c(N(CCCl)CCCl)c2)cc1N(CCCl)CCCl	150357112	BYBRKKDXALTONG-RNPORBBMSA-N	656.570	8.746	50	30	KKGC	
COCO[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]2[C@@H]2[C@H]1c1cc3c(cc1CN2S(=O)(=O)c1ccc(C)cc1)OCO3	2265351499	CROFIJVYMZCGGL-DYXWLRBRSA-N	647.863	5.294	50	30	KKGC	
O=C=Nc1ccc(Cc2ccc(N(CCOCCN(C(=O)O)c3ccc(Cc4ccc(N=C=O)cc4)cc3)C(=O)O)cc2)cc1	223643653	LCSVHUZQTIZQKW-UHFFFAOYSA-N	606.635	6.488	50	30	KKGC	
CSc1ccccc1NC(=S)NNC(=O)Cn1nnc(-c2ccccc2Oc2ccc(Cl)cc2Cl)n1	8715187	ILUXSNXGYQQWBY-UHFFFAOYSA-N	560.492	5.179	50	30	KKGC	
CCCCCCCCCCCCOc1cc(CBr)cc(OCCCCCCCCCCCC)c1	100311261	MQFOHQFZRSQRAO-UHFFFAOYSA-N	539.683	11.181	50	30	KKGC	
CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)nccc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	198120772	SOGOMPJANKBXFD-BPEMXEAKSA-N	609.049	7.714	50	30	KKGC	in-vitro
O=P(OCC(CCl)(CBr)CBr)(OC(CCl)CCl)OC(CCl)CCl	111371879	XPNOZWKYSGBXLU-UHFFFAOYSA-N	582.308	5.852	50	30	KKGC	
C[Si](C)(C)OC[C@H](N)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	195755948	ZFTBYQRDRKNIFX-DOIPELPJSA-N	542.103	5.677	50	30	KKGC	
COc1ccc([C@@H]2N[C@@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)Cl)c(OC(C)C)c1	214468270	WVTXVYIPSCOCEE-CCDWMCETSA-N	519.856	7.534	50	30	KKGC	
CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1	238791406	QCJSYZSJARHGIB-AESTUDHESA-N	620.903	8.306	50	30	KKGC	
CCO[Si](CCCSC(=S)SCCC[Si](OCC)(OCC)OCC)(OCC)OCC	198035711	YHEXUAGRZZQDCY-UHFFFAOYSA-N	518.912	5.615	50	30	KKGC	
C[C@H](C=O)[C@H]1CC[C@@H]2/C(=C/[C@@H]3C4=C(CS3(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@]21C	223453263	ZARWZJUOPFZIOB-UPWYSNFESA-N	637.088	8.632	50	30	KKGC	
CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)CC3)c2n1	725444036	RMTGMTKATCZNDU-OGESRWMOSA-N	590.933	7.563	50	30	KKGC	
O=C(NNC(=O)c1sccc1OCc1ncc(C(F)(F)F)cc1Cl)Nc1cccc(C(F)(F)F)c1	3137882	FNOLZAZEAZYQCP-UHFFFAOYSA-N	538.857	5.880	50	30	KKGC	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@@H](Br)[C@@]2(Br)C1	4214706	ISLUIHYFJMYECW-BSMCXZHXSA-N	588.509	8.930	50	30	KKGC	in-man
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	669371025	PGJKESPHANLWME-LBIDYOFJSA-N	970.194	10.101	50	30	KKGC	
CCCCC[C@H](O[Si](C)(C)C)[C@H](CCC[C@H](O[Si](C)(C)C)[C@@H](CCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C	195797460	OLRCGWNXIZTGHI-XJYHXZFBSA-N	651.239	9.741	50	30	KKGC	
C=C[Si](O[Si](O[C@@H](C)CC)(O[C@@H](C)CC)O[C@@H](C)CC)(O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[C@H](C)CC)O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[C@H](C)CC	299803457	RDWIAMYLLHXUTB-OONZYHMNSA-N	845.422	10.343	50	30	KKGC	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CI)[C@H]3CC[C@@]21C	15657719	FIOAEFCJGZJUPW-FJRAMBSKSA-N	512.560	7.804	50	30	KKGC	biogenic
Br[C@H]1CC[C@@H]([C@@H](Br)[C@@H](Br)[C@H]2CC[C@@H](Br)[C@@H](Br)C2)C[C@@H]1Br	256365707	YBYGCIBLVFGTOD-BEIYENSPSA-N	667.738	7.168	50	30	KKGC	
C1CCCCC(O[Si](OC2CCCCCCCC2)(OC2CCCCCCCC2)OC2CCCCCCCC2)CCC1	195773138	XWRXNKJMGYFOCC-UHFFFAOYSA-N	593.022	11.500	50	30	KKGC	
CC(C)C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](OCCCOC[C@@H](O)CO)(O4)O1	504789671	IPTTVNMDZCNZCJ-WJKOWNHFSA-N	965.654	6.630	50	30	KKGC	
C[C@H](CO)[C@H]1CC[C@@H]2/C(=C/[C@@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C	198071175	VGPRIHGJOIJOMO-YRYGSXHRSA-N	508.841	6.426	50	30	KKGC	
O=C(Cn1nnc(-c2ccccc2Oc2ccc(Cl)cc2Cl)n1)NNC(=S)Nc1cc(Cl)cc(Cl)c1	8648600	RHUAEBRMIKNSQF-UHFFFAOYSA-N	583.288	5.764	50	30	KKGC	
C=C1Cc2c(O)cc3c(c2O)C(=O)[C@]2(Cl)C[C@H](Cl)C(C)(C)O[C@@]2(C/C=C(\C)CC[C@H]1Cl)C3=O	83924203	TUASWIIAAPWHMO-IBWPRNHWSA-N	513.845	5.836	50	30	KKGC	in-vitro
CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](N3c4nc(N)nc(OCc5ccccc5)c4N[C@@H]3Br)C[C@@H]2O[Si](C(C)C)(C(C)C)O1	604970560	ZQFJWUPEVONXTH-KVOKEACQSA-N	680.793	6.620	50	30	KKGC	
C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C[C@H](O[Si](CC)(CC)CC)[C@H](OCCCO[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC	1848349926	FMLLZMNNXLXYIN-WKJJGVPYSA-N	771.257	11.465	50	30	KKGC	
COCOc1ccc(C=O)cc1O[C@H]1C(CCN(C)S(=O)(=O)c2ccc(C)cc2)=CCC[C@@H]1O[Si](C)(C)C(C)(C)C	2265351455	ANDFRJPTRKGNOT-JDXGNMNLSA-N	603.854	6.359	50	30	KKGC	
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCCC)OO	936069393	ILISYDMFRZNALR-AQLFUWFLSA-N	800.068	11.409	50	30	KKGC	in-vitro
COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	196574061	SKNLXHRBXYGJOC-CHLHCGNLSA-N	861.062	8.511	50	30	KKGC	
CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3C[C@@H](OCCO[Si](C)(C)C(C)(C)C)[C@@H]4OC(C)(C)O[C@@H]43)c2n1	214484198	KCBFXBVBKNVUFW-AXTIGZFRSA-N	676.907	6.842	50	30	KKGC	
CC[C@H](O[Si](C)(C)C)[C@H](CC[C@H](O[Si](C)(C)C)[C@@H](CCCCCCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C	195790572	QJHWBZLGSFIVFC-XJYHXZFBSA-N	651.239	9.741	50	30	KKGC	
Cc1ccccc1P(C[C@@H]1OC(C)(C)O[C@H]1CP(c1ccccc1C)c1ccccc1C)c1ccccc1C	59535758	ATSVHBKRAJHXFU-KYJUHHDHSA-N	554.651	7.006	50	30	KKGC	
CCCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4)N(CC)CC	299754759	OPFFQPAPHBUEBG-WLYZHOAXSA-N	868.034	5.923	50	30	KKGC	
C=C1/C(=C/CP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](CC)(CC)CC)[C@@H](OCCCO[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC	2242137785	FMLLZMNNXLXYIN-LPQNLPGYSA-N	771.257	11.465	50	30	KKGC	
COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O[C@@H]2CCCCO2)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	196880867	NNCUXEYCPYHOSU-VSCUAQBASA-N	594.865	5.761	50	30	KKGC	in-vitro
CC(C)NC[C@H](COc1cccc2[nH]c3ccccc3c12)OCc1ccc(NC(=O)CBr)cc1	199509618	FPMFBFSHUYTGRN-OAQYLSRUSA-N	524.459	5.617	50	30	KKGC	
CC(C)(C)[Si](C)(C)OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(S(C)(=O)=O)n2)cc1=O	205983929	SGVBACUCUSMVLS-OAQYLSRUSA-N	538.117	5.113	50	30	KKGC	
CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)NC)cc1NC(=O)[C@H](Cl)C(=O)C(C)(C)C	111401437	SJAQFWWPZHJRPU-HHHXNRCGSA-N	587.267	7.616	50	30	KKGC	
COc1ccccc1P(c1ccccc1OC)N(C)P(c1ccccc1OC)c1ccccc1OC	114788500	DBVIHXLHIOWLKT-UHFFFAOYSA-N	519.518	5.048	50	30	KKGC	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/[C@H](O)[C@@]1(O)CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C	226309486	XDBLYTWRNMYVCA-ROXWKIFRSA-N	544.937	8.836	50	30	KKGC	
C(=N/CC/N=C/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1	100070459	YPYYPCOFIRQIDP-LFOSYLFNSA-N	604.674	6.741	50	30	KKGC	
CCOC(=O)CC[C@@H](O[SiH](O[C@H](CCC(=O)OCC)c1ccccc1)c1ccccc1)c1ccccc1	195785742	ALWAHKLUPOQVLW-VSGBNLITSA-N	520.698	5.317	50	30	KKGC	
O=C(CN1c2ccccc2Sc2ccccc21)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	8636828	AGFHZKJSDFIICJ-KCSSXMTESA-N	536.060	6.946	50	30	KKGC	
N#C/C(=C\NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1	20442489	NCCWKAOLIBAJFI-NTEUORMPSA-N	503.251	5.959	50	30	KKGC	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O	198071233	CTZMHDJIUFEYKE-ZPMIXJRESA-N	514.911	9.763	50	30	KKGC	
CCCCC[C@H](O[Si](C)(C)C)[C@H](C[C@@H](CCCCCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C	195790527	SOGDCAWGODWBMZ-PVHODMMVSA-N	563.057	8.911	50	30	KKGC	
C[C@H](O[P@](=O)(OCCCl)[C@H](C)O[P@](=O)(CCCl)OCCCl)P(=O)(OCCCl)OCCCl	256171186	QDLQFWNOQPOPHV-KNFQFACMSA-N	610.556	6.551	50	30	KKGC	
O=[N+]([O-])c1cc2c(cc1SSc1cc3c(cc1[N+](=O)[O-])OC1(CCCCC1)O3)OC1(CCCCC1)O2	104939438	LMNCEJDAXFXRNW-UHFFFAOYSA-N	532.596	7.166	50	30	KKGC	
c1ccc(P(O[C@@H]2CCCC23CCC[C@H]3OP(c2ccccc2)c2ccccc2)c2ccccc2)cc1	2541549	PCHVGYNFFQCAEB-NWBPNMJXSA-N	524.581	7.207	50	30	KKGC	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2cc(C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)cc(C(C)(C)C)c2)cc1	95747838	WOXBFMWFAJNWAR-UHFFFAOYSA-N	570.734	5.729	50	30	KKGC	
CN1CCC(CNC(=O)c2ccc(Cl)cc2SSc2cc(Cl)ccc2C(=O)NCC2CCN(C)CC2)CC1	111884464	SCVDJMXAAVCHHF-UHFFFAOYSA-N	595.662	5.936	50	30	KKGC	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OC(=S)Oc2ccccc2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O	195933563	SWCSKDJCJJBGIZ-UMHCDNJCSA-N	736.963	7.582	50	30	KKGC	in-vitro
COc1ccc([C@@H]2N[C@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)Cl)c(OC(C)C)c1	504009673	WVTXVYIPSCOCEE-UBFVSLLYSA-N	519.856	7.534	50	30	KKGC	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C	198071272	SPHUIJWPZSWHEE-IQSSDHOQSA-N	510.923	10.671	50	30	KKGC	
C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	1774020968	WBUHPAHBCMHESO-CUDUCZNZSA-N	575.039	9.815	50	30	KKGC	
CC(=O)Oc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(OC(C)=O)cccc1P(c1ccccc1)c1ccccc1	225025793	BYDOXPDDEJJZJB-UHFFFAOYSA-N	638.640	6.721	50	30	KKGC	
Br[C@H]1CC[C@@H]([C@@H](Br)[C@@H](Br)[C@H]2CC[C@@H](Br)[C@H](Br)C2)C[C@@H]1Br	256365710	YBYGCIBLVFGTOD-VLUIMUIKSA-N	667.738	7.168	50	30	KKGC	
CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	504217075	LHOVNDTUHPWXBU-SZAHLOSFSA-N	715.968	6.644	50	30	KKGC	
CCCCCC1CCC(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)CC1	2265276246	AIYYNAZILDDNSA-UHFFFAOYSA-N	518.705	8.043	50	30	KKGC	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O[Si](C)(C)C)[C@](C)(O)C[C@@H](C)/C(=N\OC(C)(C)OC)[C@H](C)[C@@H](O)[C@]1(C)O	263583947	GAYMGJQYVVDZLC-IJIYICMKSA-N	965.425	6.690	50	30	KKGC	
CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21	256014870	YZUJIMXHROAZNZ-PXPDYYBISA-N	518.811	7.225	50	30	KKGC	in-vitro
CCCCCCCCCCCCCCCC(=O)OCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1	95785928	DRBVMPGXZZTVQQ-SHQCIBLASA-N	619.583	6.484	50	30	KKGC	
C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](OC(C)=O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	1774020875	LPWPLTVCYWHXIJ-RMLRCYEXSA-N	683.179	11.720	50	30	KKGC	
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C	226309506	XDBLYTWRNMYVCA-JSNCQZCVSA-N	544.937	8.836	50	30	KKGC	
CN1/C(=C/C=C/c2n(Cc3ccc(CCl)cc3)c3cc(Cl)c(Cl)cc3[n+]2Cc2ccc(CCl)cc2)Oc2ccccc21	84403310	GRSZUBMAIXOGKW-UHFFFAOYSA-N	636.430	9.193	50	30	KKGC	
C[C@]12CC[C@H](O[Si](C)(C)C)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C	256427074	GDLXXKCOAVFNSJ-QVAYKHHBSA-N	583.047	7.231	50	30	KKGC	
CCCC[C@H](CC)CN(C[C@H](CC)CCCC)C(=S)SSC(=S)N(C[C@@H](CC)CCCC)C[C@H](CC)CCCC	256960053	VTEKOFXDMRILGB-HRDPQUPSSA-N	633.200	12.407	50	30	KKGC	
CCCCC[C@@H](CCCCNC(=O)[C@@]1(CCCCC(=O)O)SC[C@@H]2NC(=O)N[C@@H]21)c1cccc(C(=O)NNCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1C	604970513	DYJZIPFVZUSJTH-LGOVWTGKSA-N	805.052	5.509	50	30	KKGC	
C=CCCCO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	197680391	JAINWPINHUITAG-DBPJFAKTSA-N	799.005	7.948	50	30	KKGC	
COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	271778136	SKNLXHRBXYGJOC-BKOBKXGTSA-N	861.062	8.924	50	30	KKGC	
COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O	390823260	XFDOVQPSOPEMRW-RZJYKIEISA-N	520.871	7.596	50	30	KKGC	
O=C(CN1c2ccccc2Sc2ccccc21)NN/C(=N/c1ccccc1)SCC(=O)c1ccc(Cl)cc1	8636634	HPCHIYSRLCPRDM-UHFFFAOYSA-N	559.116	6.867	50	30	KKGC	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1NC(=S)N/N=C/c1cc(Cl)cc(Cl)c1O	8616781	QBQNVEAXFMMJMX-YEBYOEETSA-N	571.273	5.796	50	30	KKGC	
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](O)[C@H](O)[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	306120920	ACJHNDYFTFXEOF-QTYAFJNESA-N	984.181	5.736	50	30	KKGC	in-vitro
BrCCc1c(Br)c(Br)c(Br)c(Br)c1Br	111406108	VCKGAEKPOCKYJV-UHFFFAOYSA-N	579.544	6.437	50	30	KKGC	
CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	238791402	RALYOFHHSKCHRY-SFBLCGSWSA-N	662.852	7.227	50	30	KKGC	
O=C(NN/C(=N\S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)N1CCCC1)Nc1ccc(Cl)cc1	95561753	NZCRXENGEYZTIK-UHFFFAOYSA-N	638.097	5.740	50	30	KKGC	
CCCCC[C@@H](CCCCNC(=O)[C@@]1(CCCCC(=O)O)SC[C@@H]2NC(=O)N[C@@H]21)c1cccc(C(=O)NNCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)ON2C(=O)CCC2=O)c1C	150350651	OSEOPBIHXUVPSU-UGQLURHFSA-N	902.125	5.031	50	30	KKGC	
C=C1Cc2c(O)cc3c(c2O)C(=O)[C@]2(Cl)C[C@H](Cl)C(C)(C)O[C@@]2(C/C=C(\C)CC[C@@H]1Cl)C3=O	263589902	TUASWIIAAPWHMO-QGFCZBHVSA-N	513.845	5.836	50	30	KKGC	
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCC/C=C\CCCCCCCC	72399757	BLQSPZHGZHJLGB-DSSVUWSHSA-N	639.446	12.755	50	30	KKGC	
O=C1OC(=O)c2cc(Oc3ccc(C(c4ccc(Oc5ccc6c(c5)C(=O)OC6=O)cc4)(C(F)(F)F)C(F)(F)F)cc3)ccc21	97971809	GGBCYXPSMLFBEG-UHFFFAOYSA-N	628.433	7.303	50	30	KKGC	
c1ccc(P(c2ccccc2)c2ccc3c(c2[C@@H]2C4=C(CC[C@@H]2P(c2ccccc2)c2ccccc2)OCO4)OCO3)cc1	2265364237	RMLJXIQFEXCBST-PUDHBBIYSA-N	614.618	6.768	50	30	KKGC	
COC(=O)CC(=O)C[C@H](O)/C=C/c1c(C(C)C)nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1	196769110	NEALNHCVMFMQTQ-RFAWQRTRSA-N	571.806	7.553	50	30	KKGC	in-vitro
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	1083806371	ORRGOXHOIQNRJM-NAFPVWBESA-N	902.254	10.783	50	30	KKGC	
CCOCOc1ccc(/C=C/C(=O)OCC)cc1O[C@H]1C(CCBr)=CCC[C@@H]1O[Si](C)(C)C(C)(C)C	2265351547	FIAPJXLVBIDEDR-JMJLSATHSA-N	583.636	7.279	50	30	KKGC	
Cc1ccccc1P(C[C@H]1OC(C)(C)O[C@@H]1CP(c1ccccc1C)c1ccccc1C)c1ccccc1C	59535762	ATSVHBKRAJHXFU-LOYHVIPDSA-N	554.651	7.006	50	30	KKGC	
O=C(OC[C@H]1O[C@H](N=C=S)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	150379707	RITGYQZMPNVVEG-SAEUYMBFSA-N	637.666	5.348	50	30	KKGC	
C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	1848349921	DCCWLTTWSBJXFK-MSMUBBGRSA-N	771.257	11.465	50	30	KKGC	
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C	195762612	FVJWDHCWIYKORU-UHFFFAOYSA-N	829.776	9.138	50	30	KKGC	
CCCC[Sn](CCCC)(CCCC)OC(=O)[C@H](Br)[C@H](Br)C(=O)O[Sn](CCCC)(CCCC)CCCC	196003651	JOMPHQTZQORMCX-JOYJRDNUSA-L	853.982	10.291	50	30	KKGC	
C1C[C@H]2C[C@H]1C[C@@H]2CO[Si](OC[C@H]1C[C@H]2CC[C@H]1C2)(OC[C@H]1C[C@H]2CC[C@H]1C2)OC[C@H]1C[C@H]2CC[C@H]1C2	256437118	BZEAMUVUGJOBIB-JGTQYCIOSA-N	528.850	7.233	50	30	KKGC	
Nc1c(C(=O)NNC(=S)Nc2ccc(Cl)cc2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12	8636621	RDTHAKHEMXBOAT-UHFFFAOYSA-N	531.066	5.892	50	30	KKGC	
Cc1c(C)c(C)c(CS/C(Nc2ccccc2Cl)=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1C	3157727	RSJWVMJEARFSTK-NFFVHWSESA-N	558.069	8.620	50	30	KKGC	
C[Si](C)(O[Si](C)(C)O[Si](C)(c1ccccc1)c1ccccc1)O[Si](C)(c1ccccc1)c1ccccc1	195765382	HNGWDEQHOJWGBN-UHFFFAOYSA-N	558.975	5.219	50	30	KKGC	
N#CC1=C(N)Oc2c3c(c4ccccc4c2[C@@H]1c1ccc(C(F)(F)F)cc1)[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O3	8618059	LUSGDTGIJXKHQM-PSWAGMNNSA-N	604.510	7.314	50	30	KKGC	
C[C@@H](O[P@@](=O)(CCCl)OCCCl)[P@@](=O)(OCCCl)O[C@@H](C)P(=O)(OCCCl)OCCCl	95705138	QDLQFWNOQPOPHV-CBIHEWAWSA-N	610.556	6.551	50	30	KKGC	
CC(C)C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](OCCCOC[C@@H]2CO2)(O4)O1	223506952	YIXMHHZWHIIDAR-QJCQPOMJSA-N	947.639	7.676	50	30	KKGC	
C=C1Cc2c(O)cc3c(c2O)C(=O)[C@]2(Cl)C[C@@H](Cl)C(C)(C)O[C@@]2(C/C=C(\C)CC[C@@H]1Cl)C3=O	263589903	TUASWIIAAPWHMO-USCTXMBHSA-N	513.845	5.836	50	30	KKGC	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1csc(Cc2c(Cl)cccc2Cl)n1	3119932	SBMDUGKDEYZJED-UHFFFAOYSA-N	529.293	7.227	50	30	KKGC	
Cc1cc(C)cc(P(C2=C(c3c(C)sc(C)c3P(c3ccccc3)c3ccccc3)[C@@]3(C)CC[C@@H]2C3(C)C)c2cc(C)cc(C)c2)c1	202548418	CXALFYRSNRCLFG-IREXDZEMSA-N	670.883	10.657	50	30	KKGC	
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OO	146940830	RPGLYLDQUIYQSK-HHHXNRCGSA-O	568.753	7.269	50	30	KKGC	
C#C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H]2OC(C)(C)O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)c1ccccc1	2265351680	GWLRSNSXGAHWRR-ZEABQCPUSA-N	599.822	5.041	50	30	KKGC	
CC(=O)N(/N=C/c1ccc(C(F)(F)F)cc1)C1=NN(C(C)=O)[C@@H](c2ccc(C(F)(F)F)cc2)S1	2144347	CCGKKMCJPMWFDB-UELNVLBCSA-N	502.440	5.472	50	30	KKGC	
CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	238791400	YUZLCBDCWPRCMA-OCOQZWCCSA-N	620.771	6.056	50	30	KKGC	
COC(=O)C[C@H](O)C[C@H](O)/C=C/c1c(C(C)C)nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1	198043780	WCJUVVBQCXVFLK-MOCODALISA-N	573.822	7.345	50	30	KKGC	in-vitro
COc1ccc(C(OC[C@H]2O[C@@H](n3cccnc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	264006260	UEUDLVPTCOPGMZ-MGVQLQBBSA-N	845.063	9.218	50	30	KKGC	in-vitro
C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)/C=C/C(=O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	196308461	OOEFJWPTKXCMDU-YMBUHKDLSA-N	639.126	11.358	50	30	KKGC	
CCCCCCCCCCCCCCCCCC(=O)[C@H](C)C(O[Si](O)(O)O)(C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC	604936633	ZKPUHJCLEWEPSD-DTSDQNDWSA-N	937.602	17.282	50	30	KKGC	
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	100165071	FFBZPQRGHCBZJB-XCHUKFSYSA-N	590.933	12.348	50	30	KKGC	
CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@]2(CCc4cccc(C5=N[C@@H](Cc6ccccc6)CO5)c42)CC3)cc(C(C)(C)C)c1	198039142	UAWQRALEHCBVCD-NGQMRIAYSA-N	788.113	12.201	50	30	KKGC	
CCCCCCCCOc1cc(CCl)cc(OCCCCCCCC)c1OCCCCCCCC	205278635	KREBVPYMZGCBAH-UHFFFAOYSA-N	511.231	10.643	50	30	KKGC	
CCCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4)N(CC)CC	299754757	OPFFQPAPHBUEBG-UFHJBPDMSA-N	868.034	5.923	50	30	KKGC	
O=C(NN=Cc1ccc(C(F)(F)F)cc1)C1=NO[C@@H](CN(CCNc2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2ccc(F)cc2)C1	254822577	BJPIGQCNFFVNGY-HXUWFJFHSA-N	695.017	5.310	50	30	KKGC	
c1ccc(P(c2ccccc2)[C@@H]2CCC[C@@H]2[C@H]2CCC[C@H]2P(c2ccccc2)c2ccccc2)cc1	100009570	UKCDADXCAXXBGR-YFRBGRBWSA-N	506.610	7.590	50	30	KKGC	in-vitro
C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/[C@H](O)[C@@]1(O)CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12	245344049	XDBLYTWRNMYVCA-HEQFAAHFSA-N	544.937	8.836	50	30	KKGC	
C=C[Si](O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[C@H](C)CC)(O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[C@H](C)CC)O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[C@H](C)CC	299803456	RDWIAMYLLHXUTB-HCCLCSBVSA-N	845.422	10.343	50	30	KKGC	
Br[C@H]1/C=C\[C@@H](Br)[C@H](Br)/C=C\[C@@H](Br)[C@@H](Br)/C=C\[C@H]1Br	198018907	HVIIZEINTLSKNX-IWGKLWNCSA-N	635.652	6.250	50	30	KKGC	
CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C)C/C(=N/OC)[C@@H]1C/C=C\CCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C	223480967	CAGDKDNXQZFLSL-ZJAPRCLESA-N	598.062	8.696	50	30	KKGC	
N#CC1=C(OC(=O)c2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2N(S(=O)(=O)c2ccc(Cl)cc2)CC1	2153640	NHXVNSFJUIMBFR-UHFFFAOYSA-N	567.372	6.703	50	30	KKGC	
Cc1c(C)c(C)c(CSCC(=O)NNC(=O)c2ccccc2C(=O)c2c(C)c(C)c(C)c(C)c2C)c(C)c1C	3161716	AJEZKOBTOZIRJA-UHFFFAOYSA-N	544.761	6.696	50	30	KKGC	
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)[C@H](O)[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	263583778	ACJHNDYFTFXEOF-OPSZNNSQSA-N	984.181	5.736	50	30	KKGC	in-vitro
CS/C(=N/S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)NNC(=O)Nc1ccccc1	8626739	BGQCPEYGNMIPKA-UHFFFAOYSA-N	580.639	5.354	50	30	KKGC	
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C	195852832	ISXKXFGJQNACAU-JHHJWBPYSA-N	574.988	9.282	50	30	KKGC	
COc1ccc(CC(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OC)c(CSc4nc5ccccc5o4)c3)cc2)cc1	217660759	UMVGMABZKHKFNP-HNSNBQBZSA-N	580.666	6.082	50	30	KKGC	
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	669371026	PGJKESPHANLWME-UXXPCDPHSA-N	970.194	10.101	50	30	KKGC	
C[C@H]1CCc2c(sc3ncnc(SCC(=O)N/N=C/c4ccc(OCc5ccccc5)cc4)c23)C1	8636797	ARRYCBQRAQLKAS-HYJDQMTASA-N	502.665	5.638	50	30	KKGC	
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COO[P@](=O)(OO)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC	150349087	MCLJAGWXGPRMBH-CZIJEMENSA-O	710.951	10.112	50	30	KKGC	
O=C(Nc1ccc(S(=O)(=O)O)c(/N=N/c2c(S(=O)(=O)O)cc3ccc(NC(=O)[C@H](Br)CBr)cc3c2O)c1)[C@H](Br)CBr	150651806	ZHHMGDPDMMBKAG-UEIYVQELSA-N	866.155	5.648	50	30	KKGC	
CCCCC[C@H](CCCCNC(=O)[C@@]1(CCCCC(=O)O)SC[C@@H]2NC(=O)N[C@@H]21)c1cccc(C(=O)NNCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1C	604970508	DYJZIPFVZUSJTH-JLEKQENHSA-N	805.052	5.509	50	30	KKGC	
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC	72131202	FKYAEVURHFHMKA-DHPXGRBXSA-N	631.382	11.859	50	30	KKGC	in-vitro
CC[C@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)C[C@@H](Br)[C@@H](Br)CCCCCCCC(=O)OC	256705749	BSMVUFPMZLIMHM-PVWHLQNVSA-N	771.887	8.661	50	30	KKGC	
N#C/C(=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	95696366	CUNUZCBFPIPHIA-OVCLIPMQSA-N	556.328	7.013	50	30	KKGC	
CC(=O)O[C@@H]1CC[C@@H]2[C@H]3[C@H](CC[C@@]12C)c1ccc(O)cc1C[C@H]3CCCCCCCCCBr	257053061	KFPTYJLFIUUHEJ-KALKFFTCSA-N	519.564	7.922	50	30	KKGC	
Br[C@H]1CC[C@@H](Br)[C@H](Br)CCC[C@H](Br)[C@H](Br)C[C@@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	299803209	ARBYVXGPPJEYIQ-HAYFFOTOSA-N	824.088	9.521	50	30	KKGC	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1	8636905	ZOAYHDIDBJSHOG-FDAWAROLSA-N	562.684	5.486	50	30	KKGC	
CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	504217073	LHOVNDTUHPWXBU-KKLWWLSJSA-N	715.968	6.644	50	30	KKGC	
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	669371027	PGJKESPHANLWME-ZEXYNXKFSA-N	970.194	10.101	50	30	KKGC	
O=C(CSc1cc(C(F)(F)F)nc2ccccc12)NNC(=O)Nc1ccc(OC(F)(F)F)cc1	1039310	MLVJXWRHFVNNPE-UHFFFAOYSA-N	504.412	5.097	50	30	KKGC	
c1ccc(P(c2ccccc2)c2ccc3c(c2[C@H]2C4=C(CC[C@H]2P(c2ccccc2)c2ccccc2)OCO4)OCO3)cc1	106804579	RMLJXIQFEXCBST-VHFKIGOXSA-N	614.618	6.768	50	30	KKGC	
COc1ccc2c3c1O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@](O)(C=C2)[C@]31CCN(C)S(=O)(=O)c1ccc(C)cc1	2265351886	LPTZOSCVQFAJSJ-LVBZJQJHSA-N	585.839	5.655	50	30	KKGC	
CCCOc1c2cccc1[C@@H](Br)c1cccc(c1)[C@@H](Br)c1cccc(c1OCCC)Cc1cccc(c1)C2	150344656	DAYIANMJZKLTMU-MEKGRNQZSA-N	634.452	9.728	50	30	KKGC	
C[C@H](CO)[C@H]1CC[C@H]2/C(=C/[C@@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C	195953629	VGPRIHGJOIJOMO-FIVWBGHLSA-N	508.841	6.426	50	30	KKGC	
CC(C)(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1	195972106	HODUUTHQNQITGS-OOWGBTMCSA-N	779.062	9.261	50	30	KKGC	
CCOC(=O)c1sc(N(NC(=O)c2ccccc2Cl)C(=O)c2ccccc2Cl)c2c1CC(C)(C)CC2=O	95696329	WUWRZLOHUMQJOB-UHFFFAOYSA-N	559.471	6.379	50	30	KKGC	
C[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	195810975	ZVFTVGOUSMILPQ-WXFUMESZSA-N	693.233	7.895	50	30	KKGC	
CCCC[Sn](CCCC)(CCCC)c1cc2c(O[Si](C)(C)C(C)(C)C)cccc2n1C(=O)OC(C)(C)C	238850628	CCYJFRAUKUYHQT-UHFFFAOYSA-N	636.582	9.865	50	30	KKGC	
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)Cl	111874377	GSTUJEWGYSLULH-UHFFFAOYSA-N	584.458	14.170	50	30	KKGC	
C/C(O)=C(\C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@@H]1SS(=O)(=O)c1ccc(C)cc1	150388794	JYBFYDOVDDHVMZ-LIAWUHMKSA-N	672.781	5.271	50	30	KKGC	
CC(C)NC[C@@H](COc1cccc2[nH]c3ccccc3c12)OCc1ccc(NC(=O)CBr)cc1	199509602	FPMFBFSHUYTGRN-NRFANRHFSA-N	524.459	5.617	50	30	KKGC	
CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O[C@@H]2CCCCO2)C[C@@H]2O[C@@H]([C@@H](I)CCCC(=O)OC)C[C@@H]21	100075958	HJCMOZLETZZMQW-HPJQATAYSA-N	606.582	5.972	50	30	KKGC	
C#Cc1c(C#N)ncn1[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	215175344	RJVWHBXVWDAUNX-KEVKATSASA-N	592.018	7.436	50	30	KKGC	in-vitro
Br[C@H]1/C=C\[C@@H](Br)[C@@H](Br)/C=C\[C@@H](Br)[C@@H](Br)/C=C\[C@H]1Br	195767199	HVIIZEINTLSKNX-CZUARPJLSA-N	635.652	6.250	50	30	KKGC	
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCBr)OC(=O)CCCCCCCCCCCCCCC	150339393	LJWMXVXFHXNDPS-PGUFJCEWSA-N	755.853	11.933	50	30	KKGC	
COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	196944979	KVHQIELPHWJPSY-WPWQOBQISA-N	660.840	5.211	50	30	KKGC	
CCCCCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97976218	FCZSASCJWJQESY-UHFFFAOYSA-N	515.786	10.242	50	30	KKGC	
O=C1/C(=C\NCCSSCCN/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)C(c2ccccc2)=NN1c1ccccc1	150359018	HOFVVQXCWKOSJW-IEPGDLOPSA-N	644.826	6.217	50	30	KKGC	
C=CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@@H](O)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C3)C[C@@H]1O)[C@H](C)C[C@@H]2OC	1548337524	YGXDKYAIMAMUAT-UFUSEUAOSA-N	920.311	7.460	50	30	KKGC	
Br[C@H]1CC[C@@H](Br)[C@@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H](Br)[C@@H](Br)CCC[C@H]1Br	299803210	ARBYVXGPPJEYIQ-QMHDMOIISA-N	824.088	9.521	50	30	KKGC	
CCOc1ccc(Br)cc1C=NNC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	725325531	XFGLWOLJMHFBAK-UHFFFAOYSA-N	522.226	6.498	50	30	KKGC	
O=C(NN(C(=O)c1cccnc1Oc1ccccc1)c1ccc(OC(F)(F)F)cc1)c1cccnc1Oc1ccccc1	95739687	PHRKIZHTKODSGI-UHFFFAOYSA-N	586.526	6.952	50	30	KKGC	
C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	195811018	SJGONMAIKHNJDL-FPCALVHFSA-N	767.432	9.546	50	30	KKGC	
ClC(Cl)O[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1	238790394	CQHLMUYIWPPHNS-RUOAZZEASA-N	623.573	7.462	50	30	KKGC	
c1ccc(-c2cc(-c3ccccc3)c(-c3cccc(P(c4ccccc4)c4ccccc4)n3)c(-c3ccccc3)c2)cc1	59353946	NXQXGCPNDCCWTP-UHFFFAOYSA-N	567.672	9.508	50	30	KKGC	
CCCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4)N(CC)CC	299754756	OPFFQPAPHBUEBG-SQUPELCWSA-N	868.034	5.923	50	30	KKGC	
CN1CCOc2c1ccc(P(c1ccccc1)c1ccccc1)c2-c1c(P(c2ccccc2)c2ccccc2)ccc2c1OCCN2C	196037471	KSYUVEBIHJNKIE-UHFFFAOYSA-N	664.726	6.527	50	30	KKGC	
CCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O	216260933	MMUXFLFWXVPEEM-MZRAMFNBSA-N	518.867	11.185	50	30	KKGC	
N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1=O	95725764	QRPGTAAVVPNIQE-SEBMTOOBSA-N	575.632	5.452	50	30	KKGC	
C=CCCCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	197680407	JAINWPINHUITAG-XZHHXJBYSA-N	799.005	7.948	50	30	KKGC	
CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)C(=O)[C@H](Br)[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)C	2265362134	OQIQFVJQPICULU-HLZCXZQUSA-N	523.596	7.592	50	30	KKGC	
COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(C)=O)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	197477597	QKWKXYVKGFKODW-REWDBZLGSA-N	902.115	9.177	50	30	KKGC	
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COO[P@@](=O)(OO)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC	150349089	MCLJAGWXGPRMBH-OCSUKUQQSA-O	710.951	10.112	50	30	KKGC	
CCCCC(C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O	3119324	QURATODXPVEFPD-AGGYBRLQSA-N	534.227	5.118	50	30	KKGC	
COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	196944993	KVHQIELPHWJPSY-YTQWTBANSA-N	660.840	5.211	50	30	KKGC	
CC(C)C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](OCC[C@@H]2CC[C@@H](O)[C@H](O)C2)(O4)O1	223509263	ROYASXXEZITCBW-XGGHZGLHSA-N	975.693	7.782	50	30	KKGC	
C=CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@@H](O)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C3)C[C@H]1O)[C@H](C)C[C@@H]2OC	1548337523	YGXDKYAIMAMUAT-PCTFFTDCSA-N	920.311	7.460	50	30	KKGC	
Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)NNc1cc(C(F)(F)F)ccc1Cl	12340500	AXIPVMMFUJWOQD-UHFFFAOYSA-N	509.358	5.972	50	30	KKGC	
CCCCCCCCCCCCc1ccccc1SSc1ccccc1CCCCCCCCCCCC	100126675	AMXRGFIIUOZHFO-UHFFFAOYSA-N	554.994	13.413	50	30	KKGC	
C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@@]43C)[C@@H]1CC[C@@H]2/C(CO[Si](C)(C)C)=N/OCc1ccccc1	196373863	DFHWYKMBBIZFHC-GXWGITPPSA-N	672.188	10.120	50	30	KKGC	
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O	390823258	XFDOVQPSOPEMRW-PTUOMBSASA-N	520.871	7.596	50	30	KKGC	
O=C(C[C@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21)NC(c1ccccc1)(c1ccccc1)c1ccccc1	97950105	HUZIEHVFBIDDMP-UMSFTDKQSA-N	622.677	6.781	50	30	KKGC	
N#CC1=C2Sc3ccccc3N2C(/N=C/c2ccccc2)=C(c2nc3ccccc3s2)[C@H]1c1ccc(Cl)cc1Cl	3026134	GXRNEWWKKXIVFJ-NLAVOMPPSA-N	593.564	9.536	50	30	KKGC	
c1ccc(O[C@@H]2O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@H](OP(c3ccccc3)c3ccccc3)[C@H]2OP(c2ccccc2)c2ccccc2)cc1	196003983	JSXASOKANKMOQO-UGZCQEKCSA-N	712.719	7.771	50	30	KKGC	
CCCSc1nc(Cl)c2nnn([C@H]3C[C@@H](OCCO[Si](C)(C)C(C)(C)C)[C@@H]4OC(C)(C)O[C@@H]43)c2n1	214485224	HSWAKRPSRMKQJC-IDCNUPLLSA-N	544.194	5.249	50	30	KKGC	
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	196198889	FFXHNCNNHASXCT-ZGMJXROTSA-N	988.212	11.054	50	30	KKGC	in-vitro
CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)nccc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	214717814	SOGOMPJANKBXFD-PXFVTCTCSA-N	609.049	7.714	50	30	KKGC	in-vitro
CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NC2=NN(c3ccccc3OC(F)(F)[C@H](F)Cl)C(=O)C2)cc1	150420314	ANNZWPZMJJEIQM-YTTGMZPUSA-N	672.254	9.610	50	30	KKGC	
CC(C)=CCC[C@H](C)CCO[Si](C)(OCC[C@@H](C)CCC=C(C)C)OCC[C@@H](C)CCC=C(C)C	198028565	NITSFAMVQULSDS-CHQNGUEUSA-N	508.904	9.923	50	30	KKGC	
CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	238791401	RALYOFHHSKCHRY-MKAZOWCCSA-N	662.852	7.227	50	30	KKGC	
Br[C@H]1C[C@@H]([C@H](Br)[C@H](Br)[C@@H]2CC[C@H](Br)[C@H](Br)C2)CC[C@H]1Br	256365712	YBYGCIBLVFGTOD-WBRCCVPBSA-N	667.738	7.168	50	30	KKGC	
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC(=O)CCCCCCC/C=C/C/C=C/C/C=C/CC	196021721	FPWRACULEOPBSB-NWUVBWGCSA-N	538.857	11.235	50	30	KKGC	
CCCCCC[C@@H]1C=C[C@H](CCCCCCCCN=C=O)[C@@H](/C=C/CCCCCCCCN=C=O)[C@@H]1CCCCCC	604970919	NCFRKFKOROVDAZ-HHXGIVSUSA-N	582.958	11.651	50	30	KKGC	
Cc1cc(C)cc(P(C[C@H]2OC(C)(C)O[C@@H]2CP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1	82048359	PWIPOKNGHOZGIG-XPSQVAKYSA-N	610.759	8.240	50	30	KKGC	
CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)C(=S)SSC(=S)N(C[C@@H](CC)CCCC)C[C@H](CC)CCCC	113696426	VTEKOFXDMRILGB-RTNMLALUSA-N	633.200	12.407	50	30	KKGC	
C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](/N=C/c1cc2ccccc2c(-c2c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc3ccccc23)c1O)c1ccnc2ccccc12	2265362210	HJVPMMQNVLOVDY-MSBNYYOASA-N	828.145	11.909	50	30	KKGC	
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CCl)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC	72131201	FKYAEVURHFHMKA-CGENZCGBSA-N	631.382	11.859	50	30	KKGC	in-vitro
C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	198071256	HAYVDHBKYABBBI-SFRIWHMISA-N	645.174	11.764	50	30	KKGC	
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/NC(=O)C(O)(c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C	118912883	PTVXYACXDYZNID-OVVDPFQLSA-N	624.866	8.240	50	30	KKGC	
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C[C@]2(O)C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]12	195900890	PNTVVZJLRPNFKC-OMHVBIQFSA-N	550.853	6.810	50	30	KKGC	in-vitro
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O[C@@H]2CCCCO2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	263584490	VAQLZJZVGRUENW-RQJXWXIRSA-N	729.292	13.315	50	30	KKGC	
Cc1ccc([C@H]2CCCCN2C(=O)N2CCCC[C@@H]2c2ccc(C)c(N(CCCl)CCCl)c2)cc1N(CCCl)CCCl	150357113	BYBRKKDXALTONG-LOYHVIPDSA-N	656.570	8.746	50	30	KKGC	
C[C@@H](C(=O)OC(=O)/C=C\C(=O)OCCOCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1cccc(C(=O)c2ccccc2)c1	150413054	YCPBRLPCFYPPBB-RTDWHHOHSA-N	709.239	6.268	50	30	KKGC	
N#CC1=C(OC(=O)c2c(F)cccc2Cl)c2ccc(Cl)cc2N(S(=O)(=O)c2ccc(Cl)cc2)CC1	2153643	PFTZXRUAHMGKMK-UHFFFAOYSA-N	551.810	6.477	50	30	KKGC	
COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(C)=O)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	197477577	QKWKXYVKGFKODW-HVWISJRHSA-N	902.115	9.177	50	30	KKGC	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1csc(Cc2c(Cl)cccc2Cl)n1	95703764	SYYFBIALBDCGRV-UHFFFAOYSA-N	514.278	6.835	50	30	KKGC	
C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(=O)OC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	575232229	OWGWSEUEDPLMHW-CHZJZNKNSA-N	645.130	11.166	50	30	KKGC	
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCCCCCCCCCC	72400276	KBIIPAPVKFNOGB-UMKNCJEQSA-N	611.392	11.975	50	30	KKGC	in-vitro
C[Si](C)(C)N[C@H](CN([Si](C)(C)C)[Si](C)(C)C)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C	195777707	JCWAMPCSTDSJOR-KRWDZBQOSA-N	500.994	6.605	50	30	KKGC	
CCCC[Sn](CCCC)(CCCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)OCC	198024449	GTYIOBJDILSBAS-UHFFFAOYSA-N	871.948	7.470	50	30	KKGC	
C=C(C=O)C[C@@H]1CC[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7C/C=C\C[C@H]6O[C@H]5CCC[C@H]4O[C@H]3C[C@H]2O1	2265381414	FSYYQLUMHHYULB-NFGHAVQVSA-N	851.087	6.980	50	30	KKGC	
CC[C@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)C[C@@H](Br)[C@H](Br)CCCCCCCC(=O)OC	256705756	BSMVUFPMZLIMHM-UIGZQWRCSA-N	771.887	8.661	50	30	KKGC	
CCCOc1c2cccc1[C@H](Br)c1cccc(c1)[C@@H](Br)c1cccc(c1OCCC)Cc1cccc(c1)C2	150344659	DAYIANMJZKLTMU-ROJLCIKYSA-N	634.452	9.728	50	30	KKGC	
COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	196574072	SKNLXHRBXYGJOC-WYKOKLTRSA-N	861.062	8.511	50	30	KKGC	
O=C=Nc1ccccc1Sc1ccc(N2C(=O)N(c3ccc(Sc4ccccc4N=C=O)cc3)C2=O)cc1	201389530	WEVXVEIFBAMNOP-UHFFFAOYSA-N	536.594	7.490	50	30	KKGC	
CCCC[Sn](CCCC)(CCCC)O[Si](=O)O[Sn](CCCC)(CCCC)CCCC	198027115	CTTXCFXWBKAHLS-UHFFFAOYSA-N	656.201	9.127	50	30	KKGC	
COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(C)=O)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1	271776652	QKWKXYVKGFKODW-IEAJBHLCSA-N	902.115	9.177	50	30	KKGC	
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1	8214523	QEFDFGVDVZTFAK-GGXMVOPNSA-N	647.637	7.265	50	30	KKGC	
N#CC1=C(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2N(S(=O)(=O)c2ccc(Cl)cc2)CC1	8626793	VCIQIXBPYVXIPO-UHFFFAOYSA-N	603.427	6.251	50	30	KKGC	
C=CCn1c(SCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)nnc1-c1ccccc1	8636651	YTJIZCYWTCBBDF-NDZAJKAJSA-N	519.634	5.226	50	30	KKGC	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)CO/N=C/c1ccc(Cl)cc1Cl	3170051	JKLVNSXPANWZHM-ZNLRHDTNSA-N	516.168	5.075	50	30	KKGC	
C[Si](C)(C)O[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(O[Si](C)(C)C)O[Si](C)(C)C	198025802	ODHLIRVOARWQJW-UHFFFAOYSA-N	642.750	8.609	50	30	KKGC