smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)Oc1ccccc1/C=C(\C#N)c1nccc2ccccc12	790227138	DVBNGSLVXGINRX-QGOAFFKASA-N	314.388	5.086	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1	726120231	MWYVKCXHQXPUPF-JLHYYAGUSA-N	313.784	5.122	50	20	DKGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)c1nccc2ccccc12	790226689	CPUVFRRLBJFNOZ-NTEUORMPSA-N	308.743	5.091	50	20	DKGD	
Cc1ccncc1-c1nc(CO[Si](C)(C)C(C)(C)C)cs1	871889930	OWTPHVQBIFHNIE-UHFFFAOYSA-N	320.534	5.035	50	20	DKGD	
N#C/C(=C\c1cc(-c2ccccc2)cs1)C(=O)c1ccsc1	917518053	RDWOQAWEAKEVEC-OVCLIPMQSA-N	321.426	5.266	50	20	DKGD	
CS[C@@H]1CC[C@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	822469679	CCYAHJWPWMODMP-GHMZBOCLSA-N	319.364	5.650	50	20	DKGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccoc1	186051204	OLIAOIWPHJLXGT-UHFFFAOYSA-N	313.247	5.189	50	20	DKGD	
CCSCCNc1cccc(S(F)(F)(F)(F)F)c1	690185283	QIBPXTLMMDULHV-UHFFFAOYSA-N	307.353	5.509	50	20	DKGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(-c2ccccc2)cs1	741469636	MCHUPOHIEVFDDH-KNGSKEOJSA-N	309.434	5.327	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)s1	209883412	NXXFGZVUNSVAPC-RAXLEYEMSA-N	313.397	5.076	50	20	DKGD	
CCCOc1cccc(/C=C(\C#N)c2nccc3ccccc23)c1	790226594	ADCDGAAVIRHURJ-QGOAFFKASA-N	314.388	5.088	50	20	DKGD	
CC(C)N(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192258123	GXRJPWPNHFWQLE-UHFFFAOYSA-N	318.311	5.216	50	20	DKGD	
N#C/C(=C/c1sccc1Cl)c1nc2ccccc2s1	779221579	XPJAFUBRSUFPLM-CLFYSBASSA-N	302.811	5.075	50	20	DKGD	
CCN(CCC#N)Cc1cccc(S(F)(F)(F)(F)F)c1	891579469	ZRJSPPWYIFXHEV-UHFFFAOYSA-N	314.323	5.080	50	20	DKGD	
C/C=C/C=C/C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186080887	DHZOMPJJUBBPLI-CRBCFSCISA-N	313.291	5.415	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2cc3cc(F)ccc3o2)n1	747439075	DMZOCFRVJJSVGK-KPKJPENVSA-N	312.369	5.216	50	20	DKGD	
Cc1oc2ccccc2c1/C=C(\C#N)c1nc2ccccc2s1	759036392	WEPCGNPCPFTQBV-JLHYYAGUSA-N	316.385	5.415	50	20	DKGD	
C=CCCCNC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	790578543	CBVIAIGTPCNKBY-UHFFFAOYSA-N	315.307	5.040	50	20	DKGD	
N#C/C(=C\c1ccc(C(F)F)cc1)c1nc(C2CC2)cs1	843266531	WZPOYSRLZIGBMI-NTUHNPAUSA-N	302.349	5.022	50	20	DKGD	
C=CCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186051004	LWEDXPMKGOYMFM-UHFFFAOYSA-N	301.280	5.249	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(Cl)nc2Cl)n1	761481943	ZJDKYUAIWCIRCS-YHYXMXQVSA-N	324.236	5.032	50	20	DKGD	
Cc1ccc(-c2ccc(/C=C(/C#N)c3nc(C)c(C)s3)o2)cc1	741473318	GVFAPNCZMFRNCN-YBEGLDIGSA-N	320.417	5.393	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/C=C\c2ccc(F)c(F)c2)n1	794698760	BOOTZQBDLZAZHA-FBOMXQGKSA-N	316.376	5.165	50	20	DKGD	
CCN(C(=O)CCCC[C@H]1CCSS1)c1ccc(C)cc1	914760678	DEULPAGOACMARH-INIZCTEOSA-N	323.527	5.062	50	20	DKGD	
Cc1ncsc1-c1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1	849177773	CGWGVAPBNXNRNX-CXUHLZMHSA-N	324.449	5.031	50	20	DKGD	
O=C(C=C1CCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	186045665	HJIBUGKEXPQZCE-UHFFFAOYSA-N	313.291	5.393	50	20	DKGD	
Cc1csc(/C(C#N)=C/c2ccc(-c3cccc(F)c3C)o2)n1	734482915	GOUHFNFSDXRZSH-MDWZMJQESA-N	324.380	5.223	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2cc(Cl)cc(Cl)c2)sc1C	741472571	BLFKQUSQDKNSRX-JYOAFUTRSA-N	309.221	5.131	50	20	DKGD	
N#C/C(=C/c1sc2ccccc2c1Cl)C(=O)c1ccccc1	744834100	FLCIMNMSXAFKJS-RAXLEYEMSA-N	323.804	5.345	50	20	DKGD	
CC1(C)C[C@@H]1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762519406	ZFAUAZDYZXOFAT-SNVBAGLBSA-N	315.307	5.329	50	20	DKGD	
CSc1cccc(NCc2ccc(OCCCCl)cc2)c1	811468486	TWIZIZHTVVGTIP-UHFFFAOYSA-N	321.873	5.028	50	20	DKGD	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)c2ccco2)cc1	16882416	STSLUMYWGZJDQZ-SAPNQHFASA-N	323.392	5.029	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)s1	726430127	XIZNONJAWRWCLV-GMCKNXKJSA-N	313.397	5.076	50	20	DKGD	
N#Cc1ccc(CNc2cccc(S(F)(F)(F)(F)F)c2)o1	186494705	GKORZSOLFJWBJP-UHFFFAOYSA-N	324.274	5.421	50	20	DKGD	
Cc1csc(/C(C#N)=C/c2ccccc2-c2ccccc2)n1	917622504	RYXZITKPMKOEGO-GZTJUZNOSA-N	302.402	5.183	50	20	DKGD	
Cc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1Cl	812248860	SRCASXJBEJOXTE-SDQBBNPISA-N	322.717	5.126	50	20	DKGD	
N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc(C2CC2)cs1	866011921	YELTVRKNDRFUMY-WZUFQYTHSA-N	321.232	5.391	50	20	DKGD	
N#C/C(=C/c1csc2ccccc12)c1ccc2ccccc2n1	917144264	DZSACCNQGGWKIV-PTNGSMBKSA-N	312.397	5.514	50	20	DKGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1csc(-c2ccc(C)cc2)n1	794875761	YYBQSYMCLSPRCC-GDNBJRDFSA-N	324.449	5.031	50	20	DKGD	
N#C/C(=C\c1coc2ccccc12)c1nc2cc(F)ccc2s1	746520739	RUNZLYLCPUVMTH-YRNVUSSQSA-N	320.348	5.246	50	20	DKGD	
CC(C)[C@H](F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	784160343	GUZJPRMOUAWVOU-JTQLQIEISA-N	321.286	5.277	50	20	DKGD	
CC(C)CCC[C@@H](C)NC(=O)CCCC[C@H]1CCSS1	849368226	UTZGOVIBRYLEII-CABCVRRESA-N	317.564	5.032	50	20	DKGD	
CCC(C)(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762516889	DPWRDBDZMVTGSG-UHFFFAOYSA-N	317.323	5.719	50	20	DKGD	
CCCCOc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1	866011062	UYOSMNFDULXRJZ-WJDWOHSUSA-N	324.449	5.264	50	20	DKGD	
CCCOc1ccc(/C=C(\C#N)c2ccc3ccccc3n2)cc1	917145297	YCCXLNNBPNQXPZ-NBVRZTHBSA-N	314.388	5.088	50	20	DKGD	
Cc1ccc(F)c(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c1	734981808	WUBCAHMWOJHAPZ-YBEGLDIGSA-N	320.392	5.322	50	20	DKGD	
N#C/C(=C/c1ccc(C(F)F)cc1)c1nccc2ccccc12	794942787	FPKAYRODFIFDJY-WJDWOHSUSA-N	306.315	5.237	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(Cl)cc2F)s1	797399692	VWTFAPPZUFGEQO-WDZFZDKYSA-N	320.820	5.297	50	20	DKGD	
N#C/C(=C/c1cccc(CCl)c1)c1nccc2ccccc12	799893725	WHPCWXUPIDCBIN-BOPFTXTBSA-N	304.780	5.038	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCc2cscn2)c1	186497401	SLUXPIZKUBLNMK-UHFFFAOYSA-N	316.320	5.413	50	20	DKGD	
CCCCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181779112	CXHKSZNWHZYTDQ-UHFFFAOYSA-N	318.311	5.266	50	20	DKGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccco1	180335485	AVJFNVNCZWQACX-UHFFFAOYSA-N	313.247	5.189	50	20	DKGD	
Cc1cccc2nc(/C(C#N)=C/c3cccc4ccccc34)[nH]c12	735616999	QXGMLVRIRCFFHB-SFQUDFHCSA-N	309.372	5.089	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cc(F)cc(Cl)c2)s1	797398362	HCFBCFVPMFFMND-WCIBSUBMSA-N	320.820	5.297	50	20	DKGD	
CCCCOc1ccccc1/C=C(\C#N)c1nc(C)c(C)s1	767359967	JIMJYYLSQCAHGR-LFIBNONCSA-N	312.438	5.003	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C(F)F)cc2)cc1C	809146283	OCUYDHWHUNLEKA-LICLKQGHSA-N	311.331	5.031	50	20	DKGD	
CO[C@H](CNc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	690202617	FUVYHKHQMIWPSY-GFCCVEGCSA-N	317.323	5.181	50	20	DKGD	
N#C/C(=C\c1cc(Cl)ccc1F)c1nc2ccccc2s1	753682885	KBOGIXDQQVLGBA-YRNVUSSQSA-N	314.772	5.153	50	20	DKGD	
CCCCCC(=C/c1ccccc1)/C=C(/C#N)c1ccccn1	810194342	UFMMQVOYDORIBD-IKBKFCNISA-N	302.421	5.652	50	20	DKGD	
CC(/C=C(\C#N)c1cc(C(F)(F)F)ccn1)=C\c1ccccc1	812246297	IOHOGHUOEYYPIJ-XHWVFBAXSA-N	314.310	5.111	50	20	DKGD	
CCc1cccc2c(/C=C(/C#N)c3nc(C(C)C)cs3)c[nH]c12	747440145	QEKSRASMEUUTER-ZSOIEALJSA-N	321.449	5.374	50	20	DKGD	
CC(=C/c1ccc(Cl)cc1)/C=C(/C#N)c1nc(C)c(C)s1	753717199	JGKZVQGRXGYJND-BTTAZIECSA-N	314.841	5.424	50	20	DKGD	
N#C/C(=C/c1ccc(C(F)F)cc1)c1ccc2ccccc2n1	794938726	QYPMDVYNHXCSLM-WJDWOHSUSA-N	306.315	5.237	50	20	DKGD	
CC(/C=C(/C#N)c1ncc(C(C)(C)C)s1)=C\c1ccccc1	797405596	BIDMNTWULMZQSR-DECHVDIESA-N	308.450	5.451	50	20	DKGD	
N#C[C@@H]1CC[C@@H](Nc2cccc(S(F)(F)(F)(F)F)c2)C1	799735233	XIODBSKCOHLZCI-MWLCHTKSSA-N	312.307	5.448	50	20	DKGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cnc(-c2ccc(C)cc2)s1	741467919	BAZHQBBQLDAXJX-DWKHYPNZSA-N	324.449	5.031	50	20	DKGD	
CCCCCNC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	758813915	BOGYMUCTXPQIPL-UHFFFAOYSA-N	317.323	5.264	50	20	DKGD	
CCC/C=C\C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762756628	CWZLSELOTUWPHJ-YWEYNIOJSA-N	315.307	5.639	50	20	DKGD	
Cc1ccc(CNc2cccc(S(F)(F)(F)(F)F)c2)cn1	764973915	SXYQTXJNBRGJCJ-UHFFFAOYSA-N	324.318	5.660	50	20	DKGD	
N#C/C(=C/c1cc(Cl)ccc1OC1CCCC1)c1ccccn1	742429113	HWJDLIIHXYJBJY-PTNGSMBKSA-N	324.811	5.121	50	20	DKGD	
Cc1oc2ccccc2c1/C=C(\C#N)c1nc(C(C)C)cs1	759035358	ONTCAZSZPGEFNO-MDWZMJQESA-N	308.406	5.385	50	20	DKGD	
CCCCN(C(=O)CCCC[C@H]1CCSS1)[C@H](C)CC	732094594	JCFGAINDGWLFFG-CABCVRRESA-N	317.564	5.128	50	20	DKGD	
Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(C)c(C)s3)o2)cc1	741473311	GVFAPNCZMFRNCN-MHWRWJLKSA-N	320.417	5.393	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2cccc3ccccc23)n1	747440927	XXIKOCCGYREPIE-YBEGLDIGSA-N	304.418	5.484	50	20	DKGD	
O=C(NC1CCCC1)c1ccc(S(F)(F)(F)(F)F)cc1	758813486	BGJJCQZMHKEUHN-UHFFFAOYSA-N	315.307	5.016	50	20	DKGD	
N#C/C(=C/c1ccc(F)cc1)c1nc2cc(Cl)ccc2s1	96998091	XKDNRGCUQYHURH-XFFZJAGNSA-N	314.772	5.153	50	20	DKGD	
Cc1csc(/C(C#N)=C\c2ccc(-c3ccc(F)cc3C)o2)n1	115522270	NEKHXLCJCKIPOA-JYRVWZFOSA-N	324.380	5.223	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	726120021	IFIVMAZMJAMXEY-GXDHUFHOSA-N	313.784	5.122	50	20	DKGD	
Cc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c(C)c1	730148645	IUCVHJAMMZEGSO-RIYZIHGNSA-N	308.381	5.116	50	20	DKGD	
Cc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1Cl	766290120	NPMOQIFFZYQBIA-AWNIVKPZSA-N	302.830	5.293	50	20	DKGD	
CC(=C\c1ccc(Cl)cc1)/C=C(\C#N)c1nc(C)cs1	797405162	NDEVMBRDIZJKQP-HPIZBCMHSA-N	300.814	5.115	50	20	DKGD	
CC(=C\c1ccccc1C(F)(F)F)/C=C(/C#N)c1ccccn1	799889759	SAINWMRYZNWWFU-RJSPBKBSSA-N	314.310	5.111	50	20	DKGD	
CCC/C(C)=C\C(=O)Nc1c(CC)cc(SC#N)cc1CC	748666762	GXCSGMNXGBOWGO-LCYFTJDESA-N	316.470	5.069	50	20	DKGD	
C/C=C(\C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	191946553	MXOSBUSXNHSXMS-FPYGCLRLSA-N	301.280	5.249	50	20	DKGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)c2cc3ccccc3o2)cc1C	744858696	AONJXWKYLOBDEI-VCHYOVAHSA-N	315.372	5.148	50	20	DKGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1c(Cl)cccc1Cl	915990327	MWAXCIIDDNYFNX-JXMROGBWSA-N	322.216	5.153	50	20	DKGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1	915990808	ZBQSNERLCANGAD-WDZFZDKYSA-N	322.216	5.153	50	20	DKGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccn1	69008258	IIXBBVYGDYIVTL-KAMYIIQDSA-N	306.752	5.059	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2)s1	750900693	PFKUVTBMRXWXKV-RAXLEYEMSA-N	313.397	5.076	50	20	DKGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)c1nccc2ccccc12	790226690	CPUVFRRLBJFNOZ-ZROIWOOFSA-N	308.743	5.091	50	20	DKGD	
CC(=C/c1ccccc1)/C=C(/C#N)c1nc2ccccc2s1	57537010	DVDUQPVKEHJPTM-RVFWBLQRSA-N	302.402	5.307	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(N[C@H]2CCCSC2)c1	184035227	ZCAIMGMWBWOWHI-JTQLQIEISA-N	319.364	5.652	50	20	DKGD	
CC(C)Oc1cccc(/C=C(/C#N)c2nc3ccccc3s2)c1	169964132	VWIUTTMVDWVRRC-GDNBJRDFSA-N	320.417	5.148	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2cc(-c3ccccc3)cs2)sc1C	741475153	VQDQFNMMRQZISS-OVCLIPMQSA-N	322.458	5.553	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cccc(Cl)c2)s1	797398528	IACALBITJLQMEU-KPKJPENVSA-N	302.830	5.158	50	20	DKGD	
O=C(/C=C\c1cccc(CCl)c1)c1c(F)cccc1Cl	809159790	WUPVPVZJYSGMFL-FPLPWBNLSA-N	309.167	5.114	50	20	DKGD	
N#C/C(=C/c1ccc(F)cc1Cl)c1ccc2ccccc2n1	767721239	KXGJCXAWNXMVRN-ZROIWOOFSA-N	308.743	5.091	50	20	DKGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc1C	206965376	OPQGVEXDQOLXGX-WQRHYEAKSA-N	316.429	5.491	50	20	DKGD	
CC(=C/c1ccc(Cl)cc1)/C=C(\C#N)c1nc(C)c(C)s1	753717208	JGKZVQGRXGYJND-QBDLBBPBSA-N	314.841	5.424	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cccc(-c2ccccc2C)c1	729644128	PMRRIYFAAKAETR-CCNLRRDASA-N	303.405	5.184	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2ccc(-c3ccccc3F)o2)sc1C	741475309	XZFGUZVIIASUNF-UKTHLTGXSA-N	324.380	5.223	50	20	DKGD	
N#C/C(=C/c1ccc(Cl)cc1)c1nc2cc(F)ccc2s1	730151368	UCMFBMDGZBREIB-XFFZJAGNSA-N	314.772	5.153	50	20	DKGD	
CCC(CC)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753627266	ZBMQGVARMCBHOO-UHFFFAOYSA-N	317.323	5.719	50	20	DKGD	
CC(C)Oc1ccc(/C=C(/C#N)c2nccc3ccccc23)cc1	790229101	XSWKTOVKEBGHAN-AQTBWJFISA-N	314.388	5.086	50	20	DKGD	
C[C@@H](CC#N)N(C)Cc1cccc(S(F)(F)(F)(F)F)c1	891934093	QOWNDYHXTCJFMV-JTQLQIEISA-N	314.323	5.078	50	20	DKGD	
N#C/C(=C\c1ccc2ccccc2c1)c1ccc2ccccc2n1	917144454	LSYPCVXLELIZEE-XSFVSMFZSA-N	306.368	5.452	50	20	DKGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc2ccccc2s1	758418527	NXJOTGPNXZBOCO-UKTHLTGXSA-N	309.415	5.061	50	20	DKGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)cc1	206996026	NRFHEPLQNBJTRK-LCYFTJDESA-N	316.187	5.092	50	20	DKGD	
N#C/C(=C/c1ccc(F)cc1Cl)c1nc2ccccc2s1	767707815	SFSKCEDIYLVJNH-XFFZJAGNSA-N	314.772	5.153	50	20	DKGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)c1nc2ccccc2s1	921262169	NTLGTRCYXDNTHB-XFFZJAGNSA-N	314.772	5.153	50	20	DKGD	
Cc1csc(/C(C#N)=C/c2cc(-c3ccccc3)cs2)n1	55038426	SDUHCXGFRZZTHY-VGOFMYFVSA-N	308.431	5.244	50	20	DKGD	
C[C@@H]1COCC[C@@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	192730983	YDQPMOAASZIZRQ-SKDRFNHKSA-N	317.323	5.181	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1sc2ccccc2c1Cl	726428741	PHLRXWQLCNQLPO-DFYQSJSGSA-N	303.814	5.077	50	20	DKGD	
COc1ccc2oc(/C=C(/C#N)c3nc(C(C)C)cs3)cc2c1	160229854	MFEYYXAPCAFSQU-JYRVWZFOSA-N	324.405	5.085	50	20	DKGD	
N#C/C(=C\c1ccccc1-c1ccccc1)C(=O)c1ccccc1	917517123	JADQBFXSHPHWKU-HMMYKYKNSA-N	309.368	5.143	50	20	DKGD	
N#C/C(=C/c1ccc(Oc2cccc(F)c2)cc1)c1ccccn1	766288940	NYPCWRBYOIBHAN-VBKFSLOCSA-N	316.335	5.077	50	20	DKGD	
Cc1cccc(C(C)C)c1NNC(=O)c1sccc1C(C)C	812768888	LUCZLQYAQADSCV-UHFFFAOYSA-N	316.470	5.060	50	20	DKGD	
CCCOc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)cc1	747438979	ARNLKPXHWFRWID-GDNBJRDFSA-N	312.438	5.119	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2c(F)cccc2Cl)s1	797398327	GJWREAZQRRNNQC-YFHOEESVSA-N	320.820	5.297	50	20	DKGD	
Cc1cc(Cl)ccc1/C=C(/C#N)c1nc(C2CC2)cs1	843266057	SEYGPAKTMORRSZ-QPEQYQDCSA-N	300.814	5.047	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C/c1sc2ccccc2c1Cl	17473048	HRSXFGPFQHMRPE-CSKARUKUSA-N	303.814	5.077	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCc2nccs2)c1	186147008	AZURESZECWZCKN-UHFFFAOYSA-N	316.320	5.413	50	20	DKGD	
N#C/C(=C\c1cc(Cl)ccc1F)c1ccc2ccccc2n1	753712113	QDJGSGMSWMRRBO-NTEUORMPSA-N	308.743	5.091	50	20	DKGD	
CCCOc1ccc(/C=C(\C#N)c2nccc3ccccc23)cc1	790227142	FAXNSVIMKAEBSA-NBVRZTHBSA-N	314.388	5.088	50	20	DKGD	
CC(/C=C(/C#N)c1nc2ccccc2s1)=C\c1ccccc1	165506165	DVDUQPVKEHJPTM-YUTYINLDSA-N	302.402	5.307	50	20	DKGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccoc1	180333077	FOJIVTKBWBTIBR-UHFFFAOYSA-N	313.247	5.189	50	20	DKGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C1=CCCC1	191946386	IVZLUHDMODERDH-UHFFFAOYSA-N	313.291	5.393	50	20	DKGD	
CC(C)Oc1ccc(/C=C(\C#N)c2nccc3ccccc23)cc1	790229102	XSWKTOVKEBGHAN-QGOAFFKASA-N	314.388	5.086	50	20	DKGD	
CCCCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	180335122	NNIRAHHQYJSHNX-UHFFFAOYSA-N	303.296	5.473	50	20	DKGD	
CSC1(CNc2cccc(S(F)(F)(F)(F)F)c2)CC1	690228828	NPOWWVVLEUBLDP-UHFFFAOYSA-N	319.364	5.652	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2cccc(C(F)(F)F)c2)n1	747439726	NCMDOXSFVXBLDI-SDQBBNPISA-N	322.355	5.349	50	20	DKGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1csc(-c2ccc(C)cc2)n1	741474904	UDQDJEFRGYUPPV-DWKHYPNZSA-N	324.449	5.031	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCc2ccccn2)c1	186495332	UIQMAWPXWCUBID-UHFFFAOYSA-N	310.291	5.351	50	20	DKGD	
C[C@@H]1C[C@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	273908102	XCOLDUQOHBJIHF-MWLCHTKSSA-N	317.323	5.323	50	20	DKGD	
COC(C)(C)[C@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	709659929	XLKAYGDCGORKFY-VIFPVBQESA-N	319.339	5.569	50	20	DKGD	
C[C@@H](CCC(C)(C)C)NC(=O)CCCC[C@H]1CCSS1	736258175	IFLXNAUTKRYMNG-KBPBESRZSA-N	317.564	5.032	50	20	DKGD	
N#CC(C#N)=CNc1cccc(-c2ccc(Cl)c(Cl)c2)c1	917604755	JPJLTJCDVKSUBJ-UHFFFAOYSA-N	314.175	5.003	50	20	DKGD	
CCC[C@@H](C)CC(=O)Nc1c(CC)cc(SC#N)cc1CC	748669843	PRPHUGLHZDHYQR-CYBMUJFWSA-N	318.486	5.149	50	20	DKGD	
CCC[C@H](C)NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	758824964	APRADADMHCHXSP-VIFPVBQESA-N	317.323	5.262	50	20	DKGD	
N#C/C(=C/C=C/c1ccc(F)cc1F)c1nccc2ccccc12	790227261	DRDBSERJAQJQFY-QCWVPXHQSA-N	318.326	5.133	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)c(-c2cccs2)c1	917562201	VLEGTTXBKVRCRH-UKTHLTGXSA-N	313.397	5.076	50	20	DKGD	
Cc1cccc(C(=O)/C(C#N)=C\c2csc3ccccc23)c1C	727655130	OLTXBDYRMZYLMU-GDNBJRDFSA-N	317.413	5.308	50	20	DKGD	
CC(=C\c1ccc(Cl)cc1)/C=C(\C#N)c1nc(C)c(C)s1	753717210	JGKZVQGRXGYJND-UMPOCWKLSA-N	314.841	5.424	50	20	DKGD	
CC(/C=C(/C#N)C(=O)c1ccsc1)=C\c1ccc(Cl)cc1	753711371	JESVXNAZOMLZEK-VQDQISGBSA-N	313.809	5.138	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)c1Cl	726428763	POJXNVHVXCBOHM-CYXIBPNKSA-N	316.615	5.169	50	20	DKGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)NC1CCC1	277547503	ZSXYWYNWEWASFL-UHFFFAOYSA-N	316.295	5.018	50	20	DKGD	
N#C/C=C\CSc1nc(-c2ccccc2)c(-c2ccccc2)o1	763299329	HMDAXUDLUINCLV-FPLPWBNLSA-N	318.401	5.180	50	20	DKGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)c1cc2ccccc2o1	794873512	SWTKNJFAVRMQMM-DHDCSXOGSA-N	323.298	5.160	50	20	DKGD	
Cc1cc(C)c(/C=C(\C#N)c2nc3ccccc3s2)cc1C	7156675	UKWRKMQTPRCOCW-MHWRWJLKSA-N	304.418	5.286	50	20	DKGD	
Cc1cccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c1C	731157650	YNFITTWPUWCMHR-WOJGMQOQSA-N	316.429	5.491	50	20	DKGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)c1cc2ccccc2o1	750817073	BMOSSQPHXZDJHN-BOPFTXTBSA-N	313.356	5.100	50	20	DKGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)c1sccc1C	917622935	ZSXMSQJGYFNGLD-RAXLEYEMSA-N	321.401	5.155	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2cccc(C(F)(F)F)c2)n1	747439727	NCMDOXSFVXBLDI-WUXMJOGZSA-N	322.355	5.349	50	20	DKGD	
Cc1cc(/C=C(/C#N)C(=O)C(C)(C)C)c(C)n1C1CCCCC1	208882419	RCADOBVTZNPUCX-ATVHPVEESA-N	312.457	5.132	50	20	DKGD	
N#C/C(=C\c1ccc2ccccc2c1)c1cc(C(F)(F)F)ccn1	812248465	NTHONBYQBNMQPL-MHWRWJLKSA-N	324.305	5.318	50	20	DKGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)o1	730260044	JGJDSVJXPYOXJM-GAFVJCAHSA-N	324.380	5.216	50	20	DKGD	
C=C[C@@H](C)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752978898	YUYWCZQBPPSGKI-MRVPVSSYSA-N	316.295	5.040	50	20	DKGD	
Cc1cc(C)c(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1C	812246753	TZGASKGCTGYBHY-NVNXTCNLSA-N	316.326	5.090	50	20	DKGD	
Cc1ccc(-c2ccc(/C=C(\C#N)c3ccccn3)s2)cc1	920480573	IOPWLVFZZTYRNX-FOWTUZBSSA-N	302.402	5.183	50	20	DKGD	
C=C(C)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192260499	QGQVGHPKIMQAGW-UHFFFAOYSA-N	316.295	5.042	50	20	DKGD	
C/C=C(/CC)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	788959775	CNZNWHGGSXXNQG-OQFOIZHKSA-N	315.307	5.639	50	20	DKGD	
N#C/C(=C/c1ccsc1Cl)c1nc2cc(F)ccc2s1	790100585	OKPDEFXDPFCVCX-UITAMQMPSA-N	320.801	5.214	50	20	DKGD	
N#C/C(=C\c1ccc(Cl)cc1F)c1nccc2ccccc12	790227299	FTEIKMNNBCOABB-NTEUORMPSA-N	308.743	5.091	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(F)c3cccnc23)n1	164652264	ZDGFOFNMSMKSMJ-MDWZMJQESA-N	323.396	5.018	50	20	DKGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cnc(-c2ccc(C)cc2)s1	741467933	BAZHQBBQLDAXJX-KNGSKEOJSA-N	324.449	5.031	50	20	DKGD	
FC(F)(F)[C@@H](Cl)Sc1ccccc1NCc1ccoc1	770513763	GBKKUBBZXBADEE-LBPRGKRZSA-N	321.751	5.111	50	20	DKGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)c1nccc2ccccc12	790228809	QXCMYTSQGFQOPN-RVDMUPIBSA-N	314.319	5.184	50	20	DKGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)s1	59270063	WEGLLSONDWAVNY-XFXZXTDPSA-N	315.825	5.201	50	20	DKGD	
C=C(CC)CNC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	837098979	LSFNIGFDIQZMIA-UHFFFAOYSA-N	315.307	5.040	50	20	DKGD	
N#C/C(=C\c1cccc(F)c1F)c1nc(-c2ccccc2)cs1	209919097	SUPKJFOEAWWILF-NTEUORMPSA-N	324.355	5.152	50	20	DKGD	
C[C@@H](CCC(C)(C)C)NC(=O)CCCC[C@@H]1CCSS1	736258182	IFLXNAUTKRYMNG-UONOGXRCSA-N	317.564	5.032	50	20	DKGD	
Cc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c(C)o1	767886800	LSVGLAWKKNKKPN-SXGWCWSVSA-N	306.390	5.084	50	20	DKGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)c1ccc(C)s1	729819965	IXFQDXOTZSCMQO-RAXLEYEMSA-N	321.401	5.155	50	20	DKGD	
N#C/C(=C\c1cc(F)cc(F)c1)c1nc(-c2ccccc2)cs1	755407524	NFWNCDPXOFRTRV-MKMNVTDBSA-N	324.355	5.152	50	20	DKGD	
Cc1cc(C)cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c1	730148242	CQBZBRPEPUUOBU-ZSOIEALJSA-N	308.381	5.116	50	20	DKGD	
CC(C)[C@@H](C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762517526	LGOKZZGUSGEHRT-SECBINFHSA-N	317.323	5.575	50	20	DKGD	
Cc1cccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)c1	206997298	DNZHXJJGNGKCBN-LCYFTJDESA-N	316.187	5.092	50	20	DKGD	
CCC(CC)C(=O)/C(C#N)=C/c1csc(-c2ccc(C)cc2)n1	726118841	RJJQGBGLGBUOAR-MHWRWJLKSA-N	324.449	5.031	50	20	DKGD	
CC(C)(C)c1ncc(/C=C(/C#N)c2nccc3ccccc23)s1	790228816	RBNFTQQYFVRFIQ-UVTDQMKNSA-N	319.433	5.053	50	20	DKGD	
CS/C=C\C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792547886	CHPVDXJYBKZYEH-SREVYHEPSA-N	319.320	5.159	50	20	DKGD	
CSCCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	191946110	NBMCOQDJHLJYIV-UHFFFAOYSA-N	321.336	5.036	50	20	DKGD	
CC(=C/c1ccccc1)/C=C(\C#N)c1nc2ccccc2s1	165506036	DVDUQPVKEHJPTM-ILYHAJGMSA-N	302.402	5.307	50	20	DKGD	
CC(C)c1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc1	730148488	HHVHXLUAOLDNJZ-OQLLNIDSSA-N	322.408	5.623	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)o1	726120232	MWYVKCXHQXPUPF-RAXLEYEMSA-N	313.784	5.122	50	20	DKGD	
CC(C)c1ncc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)s1	797398472	HPTFIRREBVHWGW-WDZFZDKYSA-N	317.483	5.085	50	20	DKGD	
N#C/C(=C\c1ccc(Cl)s1)c1nc2cc(F)ccc2s1	730149756	ZHVGDVROMGMTDA-VMPITWQZSA-N	320.801	5.214	50	20	DKGD	
N#C/C(=C/C=C\c1ccc(F)cc1F)c1ccc2ccccc2n1	758018196	URLPMLFHPPZIPW-ZROURJAMSA-N	318.326	5.133	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2cccs2)cc1F	917517162	KBSMKTVBBHGSJA-NTEUORMPSA-N	313.397	5.076	50	20	DKGD	
FCCCCCNc1cccc(S(F)(F)(F)(F)F)c1	690185035	LSJDJDKSXPCTSN-UHFFFAOYSA-N	307.303	5.896	50	20	DKGD	
ClCc1cccc(/C=C(\Cl)c2nc3ccccc3o2)c1	799891114	LCACMYGIFUQEOL-LCYFTJDESA-N	304.176	5.304	50	20	DKGD	
N#C/C(=C/c1cc(F)ccc1F)c1nc(-c2ccccc2)cs1	98008659	XZMMLHRPTNTSSB-ZSOIEALJSA-N	324.355	5.152	50	20	DKGD	
C=CCOc1ccccc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797398474	HSOLGIRUGUIYJN-PTNGSMBKSA-N	324.449	5.070	50	20	DKGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1	921138306	DHRPNOQHGDBASO-NSIKDUERSA-N	316.187	5.092	50	20	DKGD	
CSc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)s1	840716522	LOJKPZUFXUJBAH-UXBLZVDNSA-N	306.481	5.114	50	20	DKGD	
C[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCOC1	184034405	IAMKIEXJAVBGQD-ZJUUUORDSA-N	317.323	5.181	50	20	DKGD	
FS(F)(F)(F)(F)c1ccc(NCc2cncs2)cc1	689643896	GKQIPTXOVPYNFH-UHFFFAOYSA-N	316.320	5.413	50	20	DKGD	
Cc1cccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c1C	731159175	PDHPOSXMNYRWLC-ZSOIEALJSA-N	308.381	5.116	50	20	DKGD	
Cc1cccc2nc(/C(C#N)=C\c3cccc4ccccc34)[nH]c12	735616998	QXGMLVRIRCFFHB-ATVHPVEESA-N	309.372	5.089	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2cccc3ccccc23)n1	747440923	XXIKOCCGYREPIE-MHWRWJLKSA-N	304.418	5.484	50	20	DKGD	
CC(C)(C)CC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	782116694	CTYPFIVIOVHGMB-UHFFFAOYSA-N	317.323	5.719	50	20	DKGD	
N#C/C(=C\c1ccccc1C(F)(F)F)c1nccc2ccccc12	790226791	BFCDQVDZSFWRIB-RVDMUPIBSA-N	324.305	5.318	50	20	DKGD	
C[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccoc1	690235997	FVWDOQRGFBUPFT-VIFPVBQESA-N	313.291	6.110	50	20	DKGD	
CC(=C/c1ccccc1)/C=C(\C#N)c1nc2cc(F)ccc2s1	730149484	XOBWXPDYZSSBBH-AYMWWVTDSA-N	320.392	5.446	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cc3ccccc3o2)s1	797399647	VEBKNGVRZAWGTB-LCYFTJDESA-N	308.406	5.251	50	20	DKGD	
CCc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc1	730148362	FHGIJKJMBXLSIZ-ZROIWOOFSA-N	308.381	5.062	50	20	DKGD	
CC1(C)C[C@@H]1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792548352	MTBBJUJDPCBACH-SNVBAGLBSA-N	315.307	5.329	50	20	DKGD	
CC(/C=C(/C#N)C(=O)c1cc(C)cc(C)c1)=C\c1ccccc1	750913784	PSAGFZWACHAWAM-WNRREGDSSA-N	301.389	5.040	50	20	DKGD	
CC(C)Oc1cccc(/C=C(\C#N)c2ccc3ccccc3n2)c1	921270332	UNAYNEBASKRRSH-LDADJPATSA-N	314.388	5.086	50	20	DKGD	
C[C@@H]1O[C@H](C)C[C@@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	690176191	UZTWQJPEIDHXNB-PTRXPTGYSA-N	317.323	5.322	50	20	DKGD	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)c2ccco2)cc1	732577671	STSLUMYWGZJDQZ-VKAVYKQESA-N	323.392	5.029	50	20	DKGD	
N#C/C(=C\c1ccc(C(F)F)cc1)c1ccc2ccccc2n1	794938719	QYPMDVYNHXCSLM-LFIBNONCSA-N	306.315	5.237	50	20	DKGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CC12CC2	817445255	SROMSWLVAZUPER-JTQLQIEISA-N	313.291	5.083	50	20	DKGD	
CC(C)(C)[Si](C)(C)OCCCCO[Si](C)(C)C(C)(C)C	195805428	FQBZLVHZDYXUDM-UHFFFAOYSA-N	318.650	5.810	50	20	DKGD	
Cc1cc(/C=C(/C#N)c2nc(C(C)C)cs2)c(C)n1C1CC1	254949275	GCROHUZKGOLWFX-NVNXTCNLSA-N	311.454	5.084	50	20	DKGD	
Cc1cc(Cl)cc(/C=C(/C#N)c2nc(C3CC3)cs2)c1	843266338	URIRSZUCXUCZHA-MLPAPPSSSA-N	300.814	5.047	50	20	DKGD	
Cc1ccsc1/C=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1	915862608	RGWYOXOBSRVODN-RVDMUPIBSA-N	309.434	5.144	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2cc(Cl)cc(Cl)c2)sc1C	741472573	BLFKQUSQDKNSRX-QDEBKDIKSA-N	309.221	5.131	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(Cl)c(F)c2)s1	797397768	BBTVDLCXBBOKBP-IZZDOVSWSA-N	320.820	5.297	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2)s1	726429433	UCSSKGBFBPLNIM-HLVNSREUSA-N	313.397	5.076	50	20	DKGD	
N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)c1ccccn1	213141630	LJDOMLAPIZNOHL-QBFSEMIESA-N	306.752	5.059	50	20	DKGD	
C[C@H](CCC(C)(C)C)NC(=O)CCCC[C@H]1CCSS1	736258179	IFLXNAUTKRYMNG-KGLIPLIRSA-N	317.564	5.032	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2cc(F)cc(Cl)c2)n1	776720295	LUHVWGHTCQBCIF-JYOAFUTRSA-N	306.793	5.123	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(-c2cccs2)cc1F	726117948	GTIOWEXNKNWTRE-DHDCSXOGSA-N	313.397	5.076	50	20	DKGD	
Cc1cc(C)c(NC(=O)CCCC[C@@H]2CCSS2)c(C)c1	748533109	NNGWASPNZBKOEX-OAHLLOKOSA-N	323.527	5.264	50	20	DKGD	
N#C/C(=C\c1ccc(F)cc1Cl)c1ccc2ccccc2n1	767721238	KXGJCXAWNXMVRN-NTEUORMPSA-N	308.743	5.091	50	20	DKGD	
Oc1nc(CCCCCl)nc2scc(C3CCCCC3)c12	824076141	KWZYKCUBIZJZSO-UHFFFAOYSA-N	324.877	5.006	50	20	DKGD	
N#CCC1(CNc2cccc(S(F)(F)(F)(F)F)c2)CC1	690188606	WONAEHSQJBIUEH-UHFFFAOYSA-N	312.307	5.450	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(-c2cccs2)c1	726427886	AHKPMDHDRHCDJB-IGVUGNCQSA-N	313.397	5.076	50	20	DKGD	
N#C/C(=C/c1cscc1Cl)c1nc2cc(F)ccc2s1	771837472	KRGKFZJUSPEKMX-BAQGIRSFSA-N	320.801	5.214	50	20	DKGD	
N#C/C(=C\c1ccccc1C(F)(F)F)c1nc(C2CC2)cs1	864095764	AAMRBMVKXGEFRY-KPKJPENVSA-N	320.339	5.103	50	20	DKGD	
O=C(/C=C\C1CC1)Nc1cccc(S(F)(F)(F)(F)F)c1	762517838	GJLQUUGOUAJWHX-SREVYHEPSA-N	313.291	5.249	50	20	DKGD	
CO[C@H]1C[C@@H](CNc2cccc(S(F)(F)(F)(F)F)c2)C1	721918123	YJNRMCUQAJSXKE-JGZJWPJOSA-N	317.323	5.181	50	20	DKGD	
N#C/C(=C/c1cc2ccccc2s1)c1nc2ccccc2s1	758417886	YBHOKFQDXUIHLE-RAXLEYEMSA-N	318.426	5.575	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1c(Cl)ccc(Cl)c1Cl	726428766	POJXNVHVXCBOHM-HWPCKVLBSA-N	316.615	5.169	50	20	DKGD	
CSc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1	797406713	IWMBHVWKIKVAGQ-UKTHLTGXSA-N	314.479	5.227	50	20	DKGD	
CCCCN(C(=O)CCCC[C@@H]1CCSS1)[C@H](C)CC	732094599	JCFGAINDGWLFFG-HUUCEWRRSA-N	317.564	5.128	50	20	DKGD	
N#C/C(=C/c1ccc(Sc2ccccc2)cc1)c1ccccn1	753887107	BISFZTUOKGRTPB-VKAVYKQESA-N	314.413	5.297	50	20	DKGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C12CC(C1)C2	860829032	WFTYFLYHXFXHKJ-UHFFFAOYSA-N	313.291	5.083	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/C=C\c2ccc(F)cc2F)n1	758062677	NUASXEHFFCRZLX-FBOMXQGKSA-N	316.376	5.165	50	20	DKGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)o1	797399971	YOAXBNSTZRSWPL-FFYDSOFISA-N	312.438	5.221	50	20	DKGD	
N#C/C(=C\c1ccccc1-c1ccccc1)c1nc2ccccc2[nH]1	917517161	JZJLPTIYOWPKCS-NBVRZTHBSA-N	321.383	5.294	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2ccccc2C(F)(F)F)n1	747440838	WTVNGTQAJLARAB-GHXNOFRVSA-N	322.355	5.349	50	20	DKGD	
CC(=C/c1ccccc1)/C=C(/C#N)c1cc(C(F)(F)F)ccn1	812246296	IOHOGHUOEYYPIJ-VIYDEIPASA-N	314.310	5.111	50	20	DKGD	
CS[C@@H](C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186049956	RSKATZVGFROJKF-ZETCQYMHSA-N	321.336	5.034	50	20	DKGD	
Cc1csc(/C(C#N)=C/c2ccc(-c3ccc(F)cc3C)o2)n1	172281992	NEKHXLCJCKIPOA-MDWZMJQESA-N	324.380	5.223	50	20	DKGD	
C[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCCO1	690175615	QNRCKLAVZPMJSH-BXKDBHETSA-N	317.323	5.323	50	20	DKGD	
CCCc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)s1	856720526	MFVFWVBPKKFBPE-WQLSENKSSA-N	300.452	5.099	50	20	DKGD	
CCCCCC(/C=C(\C#N)c1ccccn1)=C\c1ccccc1	11285232	UFMMQVOYDORIBD-MXWIWYRXSA-N	302.421	5.652	50	20	DKGD	
N#C/C(=C/C=C\c1ccc(F)cc1)c1nc2cc(F)ccc2s1	747692212	FOMDUMLXTCXGAE-IQTQREKJSA-N	324.355	5.195	50	20	DKGD	
Cc1cccc2nc(/C(C#N)=C/c3cc4ccccc4s3)[nH]c12	758419531	XRYZUXARCASGOR-GXDHUFHOSA-N	315.401	5.150	50	20	DKGD	
N#C/C(=C/c1cccc2ccccc12)c1cc(C(F)(F)F)ccn1	812245991	AGHVUOUTVRGMEQ-GDNBJRDFSA-N	324.305	5.318	50	20	DKGD	
O=C(OCCCCF)c1ccc(S(F)(F)(F)(F)F)cc1	803434497	JTTVERUBRJHZMQ-UHFFFAOYSA-N	322.270	5.251	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)s1	726430123	XIZNONJAWRWCLV-CVCOIXHCSA-N	313.397	5.076	50	20	DKGD	
CC(C)Oc1ccccc1/C=C(\C#N)c1nc(C(C)C)cs1	176917987	MCVKTCICRAGRTL-OQLLNIDSSA-N	312.438	5.118	50	20	DKGD	
Cn1cccc1CNc1ccc(S(F)(F)(F)(F)F)cc1	689647600	HUAIFEYSSYKVGZ-UHFFFAOYSA-N	312.307	5.295	50	20	DKGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)o1	797399967	YOAXBNSTZRSWPL-AIDTXJDASA-N	312.438	5.221	50	20	DKGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)s1	788330017	CVDXEBWERQXFER-MDWZMJQESA-N	309.415	5.061	50	20	DKGD	
Cc1cc(/C=C(\C#N)c2nccc3ccccc23)cc2cccnc12	790228040	KHYRINBYUFQWPT-CPNJWEJPSA-N	321.383	5.156	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(C(F)F)cc2)s1	797399534	TYMQWYYQYPIBGT-JYRVWZFOSA-N	318.392	5.442	50	20	DKGD	
Cc1cccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)c1	921138657	XOXJZXGSLYISGP-NSIKDUERSA-N	316.187	5.092	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1	726429584	LUCWINDEVAEAGG-GMCKNXKJSA-N	313.784	5.122	50	20	DKGD	
Cc1oc2ccccc2c1/C=C(/C#N)c1nccc2ccccc12	790227332	HMQUOJUHPQGAMM-VBKFSLOCSA-N	310.356	5.354	50	20	DKGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)CC(C)(C)C)cs2)cc1	918712673	ABIURKWLQVYEIE-DHDCSXOGSA-N	324.449	5.031	50	20	DKGD	
CSc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)s1	840716513	LOJKPZUFXUJBAH-POHAHGRESA-N	306.481	5.114	50	20	DKGD	
Cc1cc(/C=C(\C#N)c2nc(C3CC3)cs2)ccc1Cl	843263775	FICAICNCFWWKSJ-NTUHNPAUSA-N	300.814	5.047	50	20	DKGD	
CCCCc1oc2ccccc2c1/C=C(/C#N)c1nc(C)cs1	917212347	FUAJSAURJFXVHC-UVTDQMKNSA-N	322.433	5.605	50	20	DKGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)C(C)(C)C)s2)cc1	920480241	BEAVZKSFWCEXNZ-RVDMUPIBSA-N	309.434	5.246	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1c(Cl)ccc(Cl)c1Cl	726428768	POJXNVHVXCBOHM-WSQKDGNHSA-N	316.615	5.169	50	20	DKGD	
Cc1csc(/C(C#N)=C/c2cccc(Oc3ccccc3)c2)n1	8207233	VOEKLWZDIMYITH-MHWRWJLKSA-N	318.401	5.308	50	20	DKGD	
Cc1cc(C)c(/C=C(/C#N)c2nc3ccccc3s2)cc1C	211427235	UKWRKMQTPRCOCW-YBEGLDIGSA-N	304.418	5.286	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2cccc3c2OC(C)(C)C3)n1	747441217	YWENCNZPDVSVCJ-NVNXTCNLSA-N	324.449	5.044	50	20	DKGD	
N#C/C(=C/c1ccc2ccccc2c1)c1nccc2ccccc12	790228399	PPRVZTQCPAINMG-ZHZULCJRSA-N	306.368	5.452	50	20	DKGD	
CC1(CC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	759085879	FFZSWNPRJNEWBX-UHFFFAOYSA-N	315.307	5.473	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cccc(Cl)c2)s1	797398521	IACALBITJLQMEU-GHXNOFRVSA-N	302.830	5.158	50	20	DKGD	
CCSc1cccc(/C=C(/C#N)c2nc(C3CC3)cs2)c1	843264098	GJSOWGSNJZXCAS-ZSOIEALJSA-N	312.463	5.197	50	20	DKGD	
O=C(CC1CC1)Nc1cccc(S(F)(F)(F)(F)F)c1	273819796	CMOKRXWYOWVCCS-UHFFFAOYSA-N	301.280	5.083	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(-c2cccs2)c1	726427887	AHKPMDHDRHCDJB-OJLMPMFISA-N	313.397	5.076	50	20	DKGD	
CCC(CC)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762518358	QAUZQNYUWPGTQN-UHFFFAOYSA-N	317.323	5.719	50	20	DKGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)c1ccc(Cl)s1	783715190	TYLUPBZALMNFNK-DCKTUCEMSA-N	313.809	5.138	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(F)cc2Cl)s1	797398403	HLOKLZBOPOHXQT-IZZDOVSWSA-N	320.820	5.297	50	20	DKGD	
N#C/C(=C\c1cc(-c2ccccc2)cs1)C(=O)c1ccccc1	917517712	XEJKMHLJKJXJNK-GZTJUZNOSA-N	315.397	5.205	50	20	DKGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)c1cccc(C)c1C	727653875	BAMFOZNRSJXATF-MLBUPBODSA-N	301.389	5.040	50	20	DKGD	
N#C/C(=C/c1cccc(Cl)c1)c1nc2cc(F)ccc2s1	730151092	QPSAKDCBYWOLJH-WDZFZDKYSA-N	314.772	5.153	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCc2cncs2)c1	186496054	WAOWWKGOZDKMNX-UHFFFAOYSA-N	316.320	5.413	50	20	DKGD	
CCC1(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	792548714	VOIFTLDJSOXXMP-UHFFFAOYSA-N	315.307	5.473	50	20	DKGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)cc1	916130726	AYZKOSRBZASKBB-WQRHYEAKSA-N	315.372	5.346	50	20	DKGD	
N#C/C(=C/c1c(F)cccc1F)c1nc(-c2ccccc2)cs1	212023054	MYMZVQOMVWMBON-LCYFTJDESA-N	324.355	5.152	50	20	DKGD	
C[C@@H]1C[C@@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CS1	690237669	SEZBGBDHVJGBNN-PSASIEDQSA-N	319.364	5.650	50	20	DKGD	
CC(=C/c1ccccc1C(F)(F)F)/C=C(\C#N)c1ccccn1	799889758	SAINWMRYZNWWFU-KXIMDHCPSA-N	314.310	5.111	50	20	DKGD	
CCCCN(C)C(=O)c1ccc(S(F)(F)(F)(F)F)cc1	758885081	RVPRDESSBYLDJM-UHFFFAOYSA-N	317.323	5.216	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccccc2Cl)s1	797398223	FIJQDVZJJCAWGE-XYOKQWHBSA-N	302.830	5.158	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(N[C@@H]2CCCSC2)c1	184035211	ZCAIMGMWBWOWHI-SNVBAGLBSA-N	319.364	5.652	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2csc3ccccc23)n1	747439074	DMXKMHQNDZCSAV-KPKJPENVSA-N	310.447	5.545	50	20	DKGD	
CCN(C(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(C)C	758986522	IMFRKJHWUBZYLO-UHFFFAOYSA-N	317.323	5.215	50	20	DKGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)c1ccc2ccccc2n1	755588689	UNIRHDVXVMNXIU-NTEUORMPSA-N	308.743	5.091	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(Cl)cc2F)s1	797399689	VWTFAPPZUFGEQO-IZZDOVSWSA-N	320.820	5.297	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2cc(F)cc(Cl)c2)n1	776720301	LUHVWGHTCQBCIF-QDEBKDIKSA-N	306.793	5.123	50	20	DKGD	
Cc1ccoc1CNc1cccc(S(F)(F)(F)(F)F)c1	690238235	UYJSSIKLUPGOSO-UHFFFAOYSA-N	313.291	5.858	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1	726430756	WYPDTGLGUKIJNF-GVIGZQTCSA-N	313.784	5.122	50	20	DKGD	
Cc1c(Cl)c(Cl)c(C(Cl)Cl)c(Cl)c1Cl	95803403	HOHVUOKYQMRVDO-UHFFFAOYSA-N	312.838	6.085	50	20	DKGD	
C=CC(C)(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	839320945	DSMUVMGEYJHAFP-UHFFFAOYSA-N	315.307	5.495	50	20	DKGD	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1F	731490099	QSIAHXJCASWWKF-CXUHLZMHSA-N	320.392	5.322	50	20	DKGD	
N#C/C(=C/c1ccc2ccccc2c1)c1cc(C(F)(F)F)ccn1	812248466	NTHONBYQBNMQPL-YBEGLDIGSA-N	324.305	5.318	50	20	DKGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)c2nc3ccccc3s2)o1	733780797	UTHQANSWNSMMAC-NQFXMWKNSA-N	306.390	5.077	50	20	DKGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(-c2ccccc2)cs1	741469642	MCHUPOHIEVFDDH-KWZJRMENSA-N	309.434	5.327	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2cccc(OC3CCCC3)c2)sc1C	741468931	YSIRRZFCEHLBPN-MHWRWJLKSA-N	324.449	5.146	50	20	DKGD	
CCC(C)(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753626937	TUBNXJZTTBOEIZ-UHFFFAOYSA-N	317.323	5.719	50	20	DKGD	
CC/C(C)=C(\C)C(=O)Nc1c(CC)cc(SC#N)cc1CC	779774484	GXKOJOUJVVHIJT-OUKQBFOZSA-N	316.470	5.069	50	20	DKGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(C(F)F)cc2)c1	794873696	AMTVQYJIXSEVKN-LICLKQGHSA-N	311.331	5.031	50	20	DKGD	
N#C/C(=C\c1cccc(CCl)c1)c1ccc2ccccc2n1	799890832	AJUQPIPFYMSTOM-GZTJUZNOSA-N	304.780	5.038	50	20	DKGD	
CCCCCCOc1ccc(/C=C(/C#N)c2ccccn2)cc1	9367933	WVBHAEOGZGZIPF-SDXDJHTJSA-N	306.409	5.105	50	20	DKGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3cccc(F)c3)n2)cc1	3997729	HNMSGRZERSVRFL-CXUHLZMHSA-N	320.392	5.322	50	20	DKGD	
CC(C)Oc1cccc(/C=C(\C#N)c2nccc3ccccc23)c1	790228026	KAIMQZPWMAQAJF-LDADJPATSA-N	314.388	5.086	50	20	DKGD	
CC(C)CCC[C@H](C)NC(=O)CCCC[C@H]1CCSS1	849368228	UTZGOVIBRYLEII-GJZGRUSLSA-N	317.564	5.032	50	20	DKGD	
N#C/C(=C\c1csc2ccccc12)c1nc2ccccc2s1	117640428	MSJIUFNUHNLWSO-FMIVXFBMSA-N	318.426	5.575	50	20	DKGD	
CCC[C@H](C)CC(=O)Nc1c(CC)cc(SC#N)cc1CC	748669845	PRPHUGLHZDHYQR-ZDUSSCGKSA-N	318.486	5.149	50	20	DKGD	
CCCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186080706	XAWHKGXIONCDRU-UHFFFAOYSA-N	303.296	5.473	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(Cl)c(F)c2)s1	797397773	BBTVDLCXBBOKBP-WDZFZDKYSA-N	320.820	5.297	50	20	DKGD	
Cc1cc(-c2nc(CO[Si](C)(C)C(C)(C)C)cs2)ccn1	864537869	OJNTWIWLEUDJLK-UHFFFAOYSA-N	320.534	5.035	50	20	DKGD	
N#C/C(=C\c1cccc(Cl)c1)c1nc(-c2ccccc2)cs1	3998039	KMDWFKVEDARIEG-OQLLNIDSSA-N	322.820	5.528	50	20	DKGD	
N#C/C(=C/c1cc(Cl)ccc1F)c1ccc2ccccc2n1	753712120	QDJGSGMSWMRRBO-ZROIWOOFSA-N	308.743	5.091	50	20	DKGD	
C=C[C@H](C)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762978769	QISRJJWKYXDGBE-QMMMGPOBSA-N	316.295	5.040	50	20	DKGD	
CCC(CC)C(=O)/C(C#N)=C\c1cnc(-c2ccc(C)cc2)s1	734304810	XBUCPXWLENOWLX-YBEGLDIGSA-N	324.449	5.031	50	20	DKGD	
N#C/C(=C\c1sccc1Cl)c1nc2ccccc2s1	779221580	XPJAFUBRSUFPLM-VQHVLOKHSA-N	302.811	5.075	50	20	DKGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)c1cc2ccccc2o1	750817077	BMOSSQPHXZDJHN-GZTJUZNOSA-N	313.356	5.100	50	20	DKGD	
Cc1cc(/C=C(/C#N)c2nccc3ccccc23)cc2cccnc12	790228041	KHYRINBYUFQWPT-UYRXBGFRSA-N	321.383	5.156	50	20	DKGD	
C[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)c1ncc[nH]1	810236354	DJVGLXNGEZGDBB-MRVPVSSYSA-N	313.295	5.240	50	20	DKGD	
CCC(C)(C)NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	758826041	LQVKPJDZMSHTJI-UHFFFAOYSA-N	317.323	5.262	50	20	DKGD	
Cc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)c(C)n1C1CC1	171645533	GCROHUZKGOLWFX-OVCLIPMQSA-N	311.454	5.084	50	20	DKGD	
N#C/C(=C\c1ccc(F)cc1Cl)c1nccc2ccccc12	790229315	ZBGAZVSCBULYQJ-NTEUORMPSA-N	308.743	5.091	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCc2ccsc2)c1	186495359	ONKWYAKNZWUKRV-UHFFFAOYSA-N	315.332	6.018	50	20	DKGD	
N#C/C(=C/c1csc2ccccc12)c1nccc2ccccc12	790229138	YMRMWLLNGVNXSY-PTNGSMBKSA-N	312.397	5.514	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NC[C@@H]2CCCOC2)c1	690176065	RRICOVPLUZFOIK-JTQLQIEISA-N	317.323	5.183	50	20	DKGD	
CC(C)C(=NNC(=O)c1cccc2ccccc12)C1CCCCC1	741463121	ZOYJHIBILVVVPD-UHFFFAOYSA-N	322.452	5.162	50	20	DKGD	
Cc1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)ccc1Cl	812247996	BHZGGDAWDQCLGW-KPKJPENVSA-N	322.717	5.126	50	20	DKGD	
N#C/C(=C/c1ccc(F)cc1F)c1nc(-c2ccccc2)cs1	212022901	BQGLBDHPAXGVMZ-ZSOIEALJSA-N	324.355	5.152	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2cccc(CCl)c2)n1	799892591	QZONJXJGQGYUOW-AUWJEWJLSA-N	302.830	5.069	50	20	DKGD	
N#C/C=C/CSc1nc(-c2ccccc2)c(-c2ccccc2)o1	763299328	HMDAXUDLUINCLV-BQYQJAHWSA-N	318.401	5.180	50	20	DKGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3occc3C)n2)cc1	742349206	BMGIGODGDUJMPY-DHDCSXOGSA-N	306.390	5.084	50	20	DKGD	
C=C[C@@H](C)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762978758	QISRJJWKYXDGBE-MRVPVSSYSA-N	316.295	5.040	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2ccc(C(C)(C)C)s2)sc1C	769771480	NXWLMMDSUQNARE-XYOKQWHBSA-N	302.468	5.183	50	20	DKGD	
C[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCCO1	690175616	QNRCKLAVZPMJSH-CABZTGNLSA-N	317.323	5.323	50	20	DKGD	
O=C(OCC1(F)CC1)c1ccc(S(F)(F)(F)(F)F)cc1	789600315	ZYWQGRRDOJWBDT-UHFFFAOYSA-N	320.254	5.003	50	20	DKGD	
CC(=C\c1ccccc1)/C=C(/C#N)c1cc(C(F)(F)F)ccn1	812246295	IOHOGHUOEYYPIJ-IJYCUAFPSA-N	314.310	5.111	50	20	DKGD	
C[C@H]1CSC[C@@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	690237721	TUWRSLADFDQNTG-KWQFWETISA-N	319.364	5.507	50	20	DKGD	
N#C/C(=C/c1cc(Cl)cs1)c1nc2cc(F)ccc2s1	780004182	HMTBDGMUULIRBG-BAQGIRSFSA-N	320.801	5.214	50	20	DKGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)c1cc(C)cc(C)c1	750913777	PSAGFZWACHAWAM-LKORSDLXSA-N	301.389	5.040	50	20	DKGD	
Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(C)cs3)o2)cc1	797404240	BPDUBNLLZXGVEB-OQLLNIDSSA-N	306.390	5.084	50	20	DKGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1	917518069	SLZAOMZJRMLBFL-PTNGSMBKSA-N	319.385	5.106	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	16407967	LYKDMXULJBWQFR-JLHYYAGUSA-N	313.784	5.122	50	20	DKGD	
CC/C=C(\C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753627236	YDBKFKXUAYCUDO-RUDMXATFSA-N	315.307	5.639	50	20	DKGD	
N#C/C(=C\c1ccc2occc2c1)c1nc2cc(F)ccc2s1	794691764	PIMHGFYXHKIFSB-MDWZMJQESA-N	320.348	5.246	50	20	DKGD	
CC(=C\c1ccccc1)/C=C(\C#N)c1nc2cc(F)ccc2s1	730149490	XOBWXPDYZSSBBH-XHWVFBAXSA-N	320.392	5.446	50	20	DKGD	
N#C/C(=C/c1cnc(C2CCC2)s1)c1nccc2ccccc12	790229032	VRYJXNAKOJPQCQ-GDNBJRDFSA-N	317.417	5.023	50	20	DKGD	
N#C/C(=C\c1coc2ccccc12)c1nc2ccccc2s1	746521000	BAKUKGFZQFCJSY-FMIVXFBMSA-N	302.358	5.107	50	20	DKGD	
N#C/C(=C\c1cccc(Cl)c1F)c1nc2ccccc2s1	759645417	XPRQCAAARJGCSF-DHZHZOJOSA-N	314.772	5.153	50	20	DKGD	
Cn1cccc1CNc1cccc(S(F)(F)(F)(F)F)c1	186494227	IHCALJNHKXRXHI-UHFFFAOYSA-N	312.307	5.295	50	20	DKGD	
CCc1oc2ccccc2c1/C=C(/C#N)c1nc(C)c(C)s1	741472625	CIQPUJSEDXFSCR-LCYFTJDESA-N	308.406	5.133	50	20	DKGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)c1nc2ccccc2s1	921262175	NTLGTRCYXDNTHB-YRNVUSSQSA-N	314.772	5.153	50	20	DKGD	
C[C@@H]1C[C@H](Nc2cccc(S(F)(F)(F)(F)F)c2)[C@@H](C)O1	690176190	UZTWQJPEIDHXNB-LNLATYFQSA-N	317.323	5.322	50	20	DKGD	
CCCCCCOc1cccc(/C=C(\C#N)c2ccccn2)c1	747033362	QOLVYCIVSWZXEI-NBVRZTHBSA-N	306.409	5.105	50	20	DKGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3F)n2)cc1	33394001	IFSQITCIJVLYNN-YBEGLDIGSA-N	320.392	5.322	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2c(Cl)oc3ccccc23)sc1C	761206219	RYJNEAPGARPKRD-YRNVUSSQSA-N	314.797	5.224	50	20	DKGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2scnc2C)cc1	849178567	FNJIMBWJYLRKGM-YBEGLDIGSA-N	324.449	5.031	50	20	DKGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)o1	730260045	JGJDSVJXPYOXJM-NCFHPSMTSA-N	324.380	5.216	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C\c1c(Cl)ccc(Cl)c1Cl	726119810	DPRNGSCYPMFZFF-TWGQIWQCSA-N	316.615	5.169	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cc(Cl)ccc2F)s1	797399176	PINZTWXUAYDABI-IZZDOVSWSA-N	320.820	5.297	50	20	DKGD	
CC(C)c1ccccc1NC(=O)CCCC[C@H]1CCSS1	849614569	XZOJQXZUOVFEKL-AWEZNQCLSA-N	323.527	5.463	50	20	DKGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CC(CC)CC	759304710	XOICSMHYRJTXIR-UHFFFAOYSA-N	318.486	5.149	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(-c2cnc(C3CC3)o2)c1	863730983	KKINRWOMCMNFBP-UHFFFAOYSA-N	311.275	5.876	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(F)c(-c2cccs2)c1	726118337	MFUCGXKYSFMZOM-ZROIWOOFSA-N	313.397	5.076	50	20	DKGD	
CC(C)(F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	191948001	HDWKDSGVQIXWGH-UHFFFAOYSA-N	307.259	5.031	50	20	DKGD	
CC(/C=C(/C#N)C(=O)c1ccc(Cl)s1)=C\c1ccccc1	783715219	TYLUPBZALMNFNK-FNIWZSMSSA-N	313.809	5.138	50	20	DKGD	
Oc1ccccc1C=Nc1cccc(S(F)(F)(F)(F)F)c1	762412969	GCCLTCXXDMYNGV-UHFFFAOYSA-N	323.286	5.800	50	20	DKGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)o1	797399974	YOAXBNSTZRSWPL-VXYVMLOTSA-N	312.438	5.221	50	20	DKGD	
N#C/C(=C/C=C\c1ccccc1)c1nc2ccccc2n1C(F)F	746683871	HQVZEEUNIBXSEM-IAGWCDOLSA-N	321.330	5.052	50	20	DKGD	
Cc1cc(Cl)ccc1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	812246599	PEJLRCOKLUREPT-KPKJPENVSA-N	322.717	5.126	50	20	DKGD	
FC(F)C1CN(Cc2cccc(S(F)(F)(F)(F)F)c2)C1	894828501	NKSILCWDMTYRAF-UHFFFAOYSA-N	323.277	5.041	50	20	DKGD	
C/C=C/C=C\C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	782115804	RWUAYBJLJXQERE-IAROGAJJSA-N	313.291	5.415	50	20	DKGD	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)c1ccsc1	96401771	OUKUYTVXYFWQKA-XDHOZWIPSA-N	315.397	5.205	50	20	DKGD	
C[C@@H]1CSC[C@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	690237723	TUWRSLADFDQNTG-LDYMZIIASA-N	319.364	5.507	50	20	DKGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)c3ccccc3)o2)cc1	915981524	RHPKFMNDVOQDGB-QGOAFFKASA-N	313.356	5.045	50	20	DKGD	
Cc1cc(C)cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c1	921265202	AUHOAQHQDHNXGX-WQRHYEAKSA-N	316.429	5.491	50	20	DKGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2)s1)c1ccccn1	195171411	YJBJMGXGLPABCK-SDNWHVSQSA-N	306.365	5.013	50	20	DKGD	
CS/C=C\C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762517748	JTZLHAVZNAXRTQ-WAYWQWQTSA-N	319.320	5.159	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C\c1sc2ccccc2c1Cl	726119770	CWGKSUBFVOKNDI-FLIBITNWSA-N	303.814	5.077	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2c(F)cccc2Cl)s1	797398326	GJWREAZQRRNNQC-JXMROGBWSA-N	320.820	5.297	50	20	DKGD	
N#C/C(=C\c1ccccc1)c1nc(-c2c(F)cccc2F)cs1	920753349	XHNGHPCWRNNXCU-UKTHLTGXSA-N	324.355	5.152	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2ccc(C(C)(C)C)s2)sc1C	769771319	NXWLMMDSUQNARE-WQLSENKSSA-N	302.468	5.183	50	20	DKGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)c1sccc1C	917622933	ZSXMSQJGYFNGLD-JLHYYAGUSA-N	321.401	5.155	50	20	DKGD	
Cc1cc(Cl)ccc1/C=C(/C#N)c1nccc2ccccc12	790227830	JLQUEJIQXPLZAB-WJDWOHSUSA-N	304.780	5.261	50	20	DKGD	
COC[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	690175538	OUFOMIUCJHOQJO-LBPRGKRZSA-N	317.323	5.181	50	20	DKGD	
N#C/C(=C/c1c(Cl)ccc(Cl)c1Cl)c1ccccn1	817908163	AXFHRUCQCGJGBX-CLFYSBASSA-N	309.583	5.106	50	20	DKGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)c1ccc2ccccc2n1	755588690	UNIRHDVXVMNXIU-ZROIWOOFSA-N	308.743	5.091	50	20	DKGD	
C=CC1=C(Br)CC[C@@H]1O[Si](C)(C)C(C)(C)C	1503999879	XCCXLRCDIXEFRV-LBPRGKRZSA-N	303.316	5.006	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cccc(Oc2ccccc2)c1	6056806	HAOFJCURRTWVBW-VBKFSLOCSA-N	305.377	5.001	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(Cl)c(F)c2)n1	747440360	SRIGHCUIKKJBPL-WZUFQYTHSA-N	306.793	5.123	50	20	DKGD	
CC(=C\c1ccc(Cl)cc1)/C=C(\C#N)c1nc2ccccc2[nH]1	753714213	MCAJYWUTZWMTGI-FVIOEUFFSA-N	319.795	5.227	50	20	DKGD	
BrCc1cc(-c2ccccc2)nc(-c2ccccc2)c1	98178564	ZXCJGNLRGSFYRF-UHFFFAOYSA-N	324.221	5.311	50	20	DKGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccco1	186076629	VMUUQVMYATUXFW-UHFFFAOYSA-N	313.247	5.189	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2ccc3ccccc3c2)n1	747439312	IUKPRRGUPVLSAW-LICLKQGHSA-N	304.418	5.484	50	20	DKGD	
O=C(Nc1ccccc1)c1ccc(S(F)(F)(F)(F)F)cc1	758822665	VJSGQQBFYPTROH-UHFFFAOYSA-N	323.286	5.596	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2csc(Cl)c2Cl)sc1C	761481858	YREVEFOPRLIIAO-BAQGIRSFSA-N	315.250	5.192	50	20	DKGD	
CC(=O)CSCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	829243804	KRCOQDVHTYAIIC-UHFFFAOYSA-N	324.562	5.031	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc3ncccc3c2)s1	797405737	GOQFXDDNTIDDGB-XNTDXEJSSA-N	319.433	5.053	50	20	DKGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)s1	48639735	JAZXLRKADKOXEY-JXMROGBWSA-N	322.216	5.153	50	20	DKGD	
CCc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)s1	731157144	SJVWBAPEEJXYOH-UVTDQMKNSA-N	322.458	5.498	50	20	DKGD	
C[C@H]1COCC[C@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	192731032	YDQPMOAASZIZRQ-JOYOIKCWSA-N	317.323	5.181	50	20	DKGD	
Cc1cc(Cl)ccc1/C=C(\C#N)c1nc(C2CC2)cs1	843266054	SEYGPAKTMORRSZ-NTUHNPAUSA-N	300.814	5.047	50	20	DKGD	
Cc1cc2cc(/C=C(/C#N)c3nc(C)c(C)s3)oc2cc1C	749806413	CRYPFWZDLFYTIP-NVNXTCNLSA-N	308.406	5.187	50	20	DKGD	
N#C/C(=C/c1ccc(C(F)F)cc1)c1nc2ccccc2s1	794865404	IHZDKLSGAPGDCN-LCYFTJDESA-N	312.344	5.298	50	20	DKGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cnc(-c2ccc(C)cc2)s1	741467927	BAZHQBBQLDAXJX-FBKCMUNRSA-N	324.449	5.031	50	20	DKGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1	917145491	CPTMECMSIUIGDQ-GDNBJRDFSA-N	324.305	5.318	50	20	DKGD	
N#C/C(=C/c1cc(-c2ccccc2)cs1)C(=O)c1ccsc1	917518052	RDWOQAWEAKEVEC-NVNXTCNLSA-N	321.426	5.266	50	20	DKGD	
CC1(CC(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	758033836	JPMLUBZCCZERPR-UHFFFAOYSA-N	315.307	5.473	50	20	DKGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cnc(-c2ccc(C)cc2)s1	741467934	BAZHQBBQLDAXJX-KWZJRMENSA-N	324.449	5.031	50	20	DKGD	
Cc1oc2ccccc2c1/C=C(/C#N)c1nc2ccccc2s1	759036437	WEPCGNPCPFTQBV-RAXLEYEMSA-N	316.385	5.415	50	20	DKGD	
C[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)c1ncc[nH]1	810236355	DJVGLXNGEZGDBB-QMMMGPOBSA-N	313.295	5.240	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)s1	729822972	FMLIXPRDKPRDED-IZZDOVSWSA-N	322.216	5.153	50	20	DKGD	
Cc1ccccc1/C=C(\C#N)C(=O)c1c(Cl)cccc1Cl	59270846	SFCNBXUMUHJRML-UKTHLTGXSA-N	316.187	5.092	50	20	DKGD	
CC(C)(C)CCCCNC(=O)CCCC[C@H]1CCSS1	303239263	IKEPGUSISVBBPC-AWEZNQCLSA-N	317.564	5.033	50	20	DKGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(-c2ccccc2)cs1	741469629	MCHUPOHIEVFDDH-FBKCMUNRSA-N	309.434	5.327	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2ccc(SC(F)F)cc2)sc1C	781549718	INIBDZKQKGKGGG-GHXNOFRVSA-N	322.405	5.139	50	20	DKGD	
N#C/C(=C/c1cc2ccccc2o1)c1nc2ccccc2s1	209643088	UJEORIXKYJBVCA-RAXLEYEMSA-N	302.358	5.107	50	20	DKGD	
Cc1cnccc1-c1nc(CO[Si](C)(C)C(C)(C)C)cs1	864535465	UTKSOBBTEPQFSY-UHFFFAOYSA-N	320.534	5.035	50	20	DKGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(C(C)C)cc3)[nH]c12	735619260	LAOUEOMBXUFNFE-GZTJUZNOSA-N	301.393	5.059	50	20	DKGD	
C=CCOc1ccccc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797398476	HSOLGIRUGUIYJN-RVDMUPIBSA-N	324.449	5.070	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)c1Cl	817910954	MQQCKLJXLUZXBV-SOFGYWHQSA-N	316.615	5.169	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)o1	726429586	LUCWINDEVAEAGG-IXJPEXDMSA-N	313.784	5.122	50	20	DKGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1cc2ccccc2o1	744859570	VIVRJFLIGXUCEB-KFGDLTOCSA-N	313.356	5.169	50	20	DKGD	
CC(C)c1ncc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)s1	797398469	HPTFIRREBVHWGW-IZZDOVSWSA-N	317.483	5.085	50	20	DKGD	
N#C/C(=C\c1c(Cl)oc2ccccc12)c1nc2ccccc2[nH]1	761180275	JWCKBDZOCCHELZ-PKNBQFBNSA-N	319.751	5.027	50	20	DKGD	
Cc1ccccc1/C=C(/C#N)c1nc(-c2ccccc2)cs1	33414154	VIKQCYZBFNTHAH-BOPFTXTBSA-N	302.402	5.183	50	20	DKGD	
C[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccncc1	762791568	YAPBISXTZLJSPA-SNVBAGLBSA-N	324.318	5.912	50	20	DKGD	
N#C/C(=C/c1ccc(C(F)F)c(F)c1)c1nc(C2CC2)cs1	899345571	PBBZNHJCLWQTBD-WZUFQYTHSA-N	320.339	5.161	50	20	DKGD	
CCCCOc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)cc1	741474788	ROCFNXDBTVXNGL-WJDWOHSUSA-N	312.438	5.003	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)c(-c2cccs2)c1	917562200	VLEGTTXBKVRCRH-LCYFTJDESA-N	313.397	5.076	50	20	DKGD	
N#C/C(=C/c1cc(Cl)ccc1F)c1nccc2ccccc12	790229148	YNJKNKNQXRRHOZ-ZROIWOOFSA-N	308.743	5.091	50	20	DKGD	
Cc1ccncc1CNc1cccc(S(F)(F)(F)(F)F)c1	793081078	AJMMFTYFCREOAE-UHFFFAOYSA-N	324.318	5.660	50	20	DKGD	
N#C/C(=C/c1ccc(F)c(F)c1)c1nc(-c2ccccc2)cs1	213534742	TYEPYAHLMFCHQC-ZSOIEALJSA-N	324.355	5.152	50	20	DKGD	
CC[C@@H](C)CC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792551188	YSEOABCXBHUWHL-SECBINFHSA-N	317.323	5.719	50	20	DKGD	
CCCCCOc1ccc(/C=C(/C#N)c2nc(C)cs2)cc1	169965502	TZXMIAHLOAMCIY-WJDWOHSUSA-N	312.438	5.085	50	20	DKGD	
CN(C(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(C)(C)C	843713402	PVUIIOFAGSCQLL-UHFFFAOYSA-N	317.323	5.215	50	20	DKGD	
Cc1oc2ccccc2c1/C=C(/C#N)c1nc(C(C)C)cs1	759035357	ONTCAZSZPGEFNO-JYRVWZFOSA-N	308.406	5.385	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(Cl)c2Cl)s1	729822811	BESOSKTXPXHCDU-XFFZJAGNSA-N	322.216	5.153	50	20	DKGD	
N#C/C(=C/C=C/c1ccccc1)c1nc2cc(F)ccc2s1	730148109	BSEBUORAJLXZHT-UQAUATQKSA-N	306.365	5.056	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(C(F)F)cc2)s1	797399537	TYMQWYYQYPIBGT-MDWZMJQESA-N	318.392	5.442	50	20	DKGD	
FS(F)(F)(F)(F)c1ccc(NCc2cscn2)cc1	689645524	VTUYSFRVDMSHQJ-UHFFFAOYSA-N	316.320	5.413	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2cc(Cl)ccc2Cl)sc1C	753716753	FQSQGDQJJRHQRX-VZUCSPMQSA-N	309.221	5.131	50	20	DKGD	
N#C/C(=C\c1ccc(C(F)F)cc1)c1cc(C(F)(F)F)ccn1	812246884	VBVNUPFJXHTXIL-KPKJPENVSA-N	324.252	5.102	50	20	DKGD	
N#C/C(=C\c1cc(Cl)ccc1OC1CCCC1)c1ccccn1	742429114	HWJDLIIHXYJBJY-RVDMUPIBSA-N	324.811	5.121	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cc(Cl)cs2)s1	797397686	ANOJCVPOCKUDBQ-RUDMXATFSA-N	308.859	5.220	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)c(Cl)c2)s1	729822973	FMLIXPRDKPRDED-WDZFZDKYSA-N	322.216	5.153	50	20	DKGD	
N#C[C@H]1CC[C@@H](Nc2cccc(S(F)(F)(F)(F)F)c2)C1	799735228	XIODBSKCOHLZCI-GXSJLCMTSA-N	312.307	5.448	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cccc(CCl)c2)s1	799894406	UGWMGEUYOUCFEE-RIYZIHGNSA-N	316.857	5.244	50	20	DKGD	
CC(C)CC(CC(C)C)=NNC(=O)c1cccc2ccccc12	741463071	XCOBBURGNYCCJS-UHFFFAOYSA-N	310.441	5.018	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2ccc(SC(F)F)cc2)sc1C	781549719	INIBDZKQKGKGGG-KPKJPENVSA-N	322.405	5.139	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C(F)F)cc2)cc1C	809146291	OCUYDHWHUNLEKA-YVLHZVERSA-N	311.331	5.031	50	20	DKGD	
N#C/C(=C/c1ccsc1Cl)c1nc2ccccc2s1	790100872	JHTHRCDHBMBWDP-YFHOEESVSA-N	302.811	5.075	50	20	DKGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3C)n2)cc1	33927895	KLXJRVGKWVTKDU-WQRHYEAKSA-N	316.429	5.491	50	20	DKGD	
CC[C@@H](C)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184412872	QWZZRUCETZQREI-MRVPVSSYSA-N	318.311	5.264	50	20	DKGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccccn1	16406990	IIXBBVYGDYIVTL-SDNWHVSQSA-N	306.752	5.059	50	20	DKGD	
C[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCCO1	690175617	QNRCKLAVZPMJSH-JOYOIKCWSA-N	317.323	5.323	50	20	DKGD	
C#CCCCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	190630076	BABRZZXVGNUKSD-UHFFFAOYSA-N	313.291	5.086	50	20	DKGD	
CC[C@H](CC#N)NCc1cccc(S(F)(F)(F)(F)F)c1	893607210	WMSMRHJTWAQFFT-LLVKDONJSA-N	314.323	5.126	50	20	DKGD	
C[C@@H](OC(=O)CCCC[C@H]1CCSS1)c1ccccc1	786589840	HWJZKDMFFRRCIK-HIFRSBDPSA-N	310.484	5.005	50	20	DKGD	
N#C/C(=C\c1cccc(CCl)c1)c1nccc2ccccc12	799893726	WHPCWXUPIDCBIN-GZTJUZNOSA-N	304.780	5.038	50	20	DKGD	
Cc1onc(-c2ccc(C3CCCCC3)cc2)c1C(=O)Cl	98178704	QLXGRPJRQVRUKD-UHFFFAOYSA-N	303.789	5.077	50	20	DKGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C1=CCCC1	186088341	SENZSBDULQLYNX-UHFFFAOYSA-N	313.291	5.393	50	20	DKGD	
N#C/C(=C/c1ccc(F)cc1Cl)c1nccc2ccccc12	790229316	ZBGAZVSCBULYQJ-ZROIWOOFSA-N	308.743	5.091	50	20	DKGD	
Cc1cccc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)c1	810251676	UZZVLUODPADJSC-WUXMJOGZSA-N	322.717	5.126	50	20	DKGD	
C[C@H]1CSC[C@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	690237716	TUWRSLADFDQNTG-GZMMTYOYSA-N	319.364	5.507	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2cccc(CCl)c2)n1	799892592	QZONJXJGQGYUOW-VGOFMYFVSA-N	302.830	5.069	50	20	DKGD	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)c1ccccn1	72117929	LJDOMLAPIZNOHL-ACCUITESSA-N	306.752	5.059	50	20	DKGD	
CC(C)[C@H](C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792548378	OILIJNRGTOXCIO-VIFPVBQESA-N	317.323	5.575	50	20	DKGD	
N#C/C(=C\c1ccc(-c2cccs2)cc1F)c1ccccn1	193581179	FNLMOTHNMRQGCC-XNTDXEJSSA-N	306.365	5.013	50	20	DKGD	
Cc1oc2ccccc2c1/C=C(\C#N)c1nccc2ccccc12	790227329	HMQUOJUHPQGAMM-FOWTUZBSSA-N	310.356	5.354	50	20	DKGD	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)s1)c1ccccn1	914703185	QEGJZBLNGFWASS-KAMYIIQDSA-N	322.820	5.528	50	20	DKGD	
COc1c(Cl)cc(S(F)(F)(F)(F)F)cc1Cl	2088642719	MNEFQAXYPSDJOG-UHFFFAOYSA-N	303.079	5.659	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCC2=CCCOC2)c1	186495610	VVOSEMWSIAIBMZ-UHFFFAOYSA-N	315.307	5.103	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cncc3ccccc23)s1	797399395	RXVDPHBLDPEWJV-RIYZIHGNSA-N	319.433	5.053	50	20	DKGD	
N#C/C(=C/C=C\c1ccccc1)c1nc(-c2ccccc2)cs1	33294335	LVKBGEWADSASKV-MRJMLVAMSA-N	314.413	5.430	50	20	DKGD	
Cc1cc(Cl)cc(/C=C(\C#N)c2nc(C3CC3)cs2)c1	843266337	URIRSZUCXUCZHA-AWNIVKPZSA-N	300.814	5.047	50	20	DKGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)NC1CCC1	273908731	AGLCQLKCWMZPNG-UHFFFAOYSA-N	316.295	5.018	50	20	DKGD	
Cc1ncsc1-c1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1	849177861	CGWGVAPBNXNRNX-SXGWCWSVSA-N	324.449	5.031	50	20	DKGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc2ccccc2s1	758418526	NXJOTGPNXZBOCO-LCYFTJDESA-N	309.415	5.061	50	20	DKGD	
CCCC[C@@H](C)C(=O)Nc1c(CC)cc(SC#N)cc1CC	799872367	QEKJJAWBHVDPPI-CYBMUJFWSA-N	318.486	5.149	50	20	DKGD	
C[C@H](CCC#N)CNc1cccc(S(F)(F)(F)(F)F)c1	877364500	AQPXAJNLUPTKIQ-SNVBAGLBSA-N	314.323	5.696	50	20	DKGD	
N#C/C(=C\c1cccs1)c1nc2cc(Cl)ccc2s1	13002522	YREANAJEFHCDBQ-RMKNXTFCSA-N	302.811	5.075	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2cc3ccccc3s2)n1	758417923	KGWOMDJIZTYSET-JYRVWZFOSA-N	310.447	5.545	50	20	DKGD	
CC(C)(C)CCCCNC(=O)CCCC[C@@H]1CCSS1	303239264	IKEPGUSISVBBPC-CQSZACIVSA-N	317.564	5.033	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCc2cccnc2)c1	186495682	VFCIWYADIGIQQA-UHFFFAOYSA-N	310.291	5.351	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2sccc2Cl)s1	797399605	UQYRLSLWTQGULU-RMKNXTFCSA-N	308.859	5.220	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C/c2csc(Cl)c2Cl)cc1	761385362	LVYAXIIDRBNIPU-IZZDOVSWSA-N	322.216	5.153	50	20	DKGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)c1nccc2ccccc12	790227108	DSUVTLYIELYPDI-RVDMUPIBSA-N	324.305	5.318	50	20	DKGD	
N#C/C(=C\c1cc2ccccc2s1)c1nccc2ccccc12	790229409	YTFLDJYNEZIBLZ-FOWTUZBSSA-N	312.397	5.514	50	20	DKGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)s1	915990213	JRFODLBSCUWHLA-UKTHLTGXSA-N	315.825	5.201	50	20	DKGD	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)c1nc2ccccc2[nH]1	5068456	YXLDVRUODWXMQC-XMHGGMMESA-N	321.383	5.294	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1sc2ccccc2c1Cl	726428748	PHLRXWQLCNQLPO-NGPGYTDTSA-N	303.814	5.077	50	20	DKGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)c1nc2ccccc2s1	776721238	DAXKWCXOBAEMQG-VZUCSPMQSA-N	314.772	5.153	50	20	DKGD	
CS[C@H]1CC[C@@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	822469697	CCYAHJWPWMODMP-QWRGUYRKSA-N	319.364	5.650	50	20	DKGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)cc1	916130721	AYZKOSRBZASKBB-WOJGMQOQSA-N	315.372	5.346	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2nccc3ccccc23)s1	797398695	JNRKIWAVGUFARU-UVTDQMKNSA-N	319.433	5.053	50	20	DKGD	
CC(C)Oc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1	176939543	PVKFNIVXTGZZNK-OQLLNIDSSA-N	312.438	5.118	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/C=C/c2ccc(F)c(F)c2)n1	794698765	BOOTZQBDLZAZHA-HJSZHNSDSA-N	316.376	5.165	50	20	DKGD	
C[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccoc1	690235993	FVWDOQRGFBUPFT-SECBINFHSA-N	313.291	6.110	50	20	DKGD	
CSc1ccc(/C=C(\C#N)c2nc3ccccc3s2)s1	806564848	DPJJIWHVDDFKBT-CSKARUKUSA-N	314.460	5.144	50	20	DKGD	
CSc1ccc(/C=C(/C#N)c2nc3ccccc3s2)s1	806564849	DPJJIWHVDDFKBT-NTMALXAHSA-N	314.460	5.144	50	20	DKGD	
CC[C@H](C)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184412895	QWZZRUCETZQREI-QMMMGPOBSA-N	318.311	5.264	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2)s1	726429430	UCSSKGBFBPLNIM-GVIGZQTCSA-N	313.397	5.076	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(C(C)(C)C#N)cc2)n1	846759296	UQEWKZDWUDCWTP-DHDCSXOGSA-N	321.449	5.132	50	20	DKGD	
COc1ccccc1/C=C/C=C(/C#N)c1ncc(C(C)(C)C)s1	797397729	ATSYYMXBQPPYQL-GPGQUUKWSA-N	324.449	5.070	50	20	DKGD	
Cc1ccc(CNc2ccc(S(F)(F)(F)(F)F)cc2)cn1	802758950	AVFMHJSRCHXPFI-UHFFFAOYSA-N	324.318	5.660	50	20	DKGD	
O=C(CCCF)Nc1ccc(S(F)(F)(F)(F)F)cc1	857603863	HTLNZRNCIHVWQX-UHFFFAOYSA-N	307.259	5.032	50	20	DKGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CC12CC2	817445256	SROMSWLVAZUPER-SNVBAGLBSA-N	313.291	5.083	50	20	DKGD	
Cc1cccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)c1	59270840	DNZHXJJGNGKCBN-UKTHLTGXSA-N	316.187	5.092	50	20	DKGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)c1nc2ccccc2s1	741840475	WBEXZZMXMBQBNL-FMIVXFBMSA-N	320.348	5.246	50	20	DKGD	
N#C/C(=C/C=C\c1ccc(F)cc1F)c1nc2ccccc2s1	758015755	BCZSBCSQNGJBSA-OFNQYZMLSA-N	324.355	5.195	50	20	DKGD	
CC(C)CCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	782117707	NLSYKPILQWZPMC-UHFFFAOYSA-N	317.323	5.719	50	20	DKGD	
N#C/C(=C\c1cccc2ccccc12)C(=O)c1cccc(Cl)c1	810216127	DLKQUIQDPQQZNQ-GZTJUZNOSA-N	317.775	5.283	50	20	DKGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)c1ccc2ccccc2n1	921270219	RPGQOQKBRJXXOA-NTEUORMPSA-N	308.743	5.091	50	20	DKGD	
N#C/C(=C\c1ccc(Cl)s1)c1nc2ccccc2s1	14176738	FQNVHVBLUZXIBM-VQHVLOKHSA-N	302.811	5.075	50	20	DKGD	
CO[C@@H](C)[C@@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	273831697	GCUHZQSXQZXRIT-BDAKNGLRSA-N	305.312	5.179	50	20	DKGD	
N#C/C(=C\c1ccccc1C1CC1)c1cc(C(F)(F)F)ccn1	812248379	LCQHGBPBCUIPEN-NTEUORMPSA-N	314.310	5.042	50	20	DKGD	
CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)CC2CCCC2)cc1	725326743	RUZUUTJNTSUDMT-UHFFFAOYSA-N	318.533	5.834	50	20	DKGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)o1	730260047	JGJDSVJXPYOXJM-RHEOLOAOSA-N	324.380	5.216	50	20	DKGD	
CC(C)[C@H](C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762517527	LGOKZZGUSGEHRT-VIFPVBQESA-N	317.323	5.575	50	20	DKGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)c1nccc2ccccc12	790229177	VIPJDFUXQNWAOF-JXAWBTAJSA-N	322.367	5.559	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C/c2csc3ccccc23)s1	729819897	HFTNZKFGLMYCNI-XYOKQWHBSA-N	309.415	5.061	50	20	DKGD	
ClCc1cccc(/C=C(/Cl)c2nc3ccccc3o2)c1	799891124	LCACMYGIFUQEOL-UKTHLTGXSA-N	304.176	5.304	50	20	DKGD	
CCCc1ccccc1NC(=O)CCCC[C@@H]1CCSS1	914768677	RQGSDWOOKLDPQQ-OAHLLOKOSA-N	323.527	5.292	50	20	DKGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)s1	915862753	VKEPANYMAVRBFV-RVDMUPIBSA-N	309.434	5.144	50	20	DKGD	
CC(C)Oc1cccc(/C=C(/C#N)c2ccc3ccccc3n2)c1	921270340	UNAYNEBASKRRSH-PDGQHHTCSA-N	314.388	5.086	50	20	DKGD	
CCOC1CC(Nc2cccc(S(F)(F)(F)(F)F)c2)C1	709696710	ZPEFIWSOIBAJQI-UHFFFAOYSA-N	317.323	5.323	50	20	DKGD	
CC[C@H](C)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181774649	MKRPBONUBUACHB-QMMMGPOBSA-N	318.311	5.264	50	20	DKGD	
CCSc1cccc(/C=C(/C#N)c2nc3ccccc3s2)c1	769723696	AZOAPKVSSLZQGG-UVTDQMKNSA-N	322.458	5.472	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NC[C@H]2CCSC2)c1	690227709	CIIMZQGDSBGKKI-SECBINFHSA-N	319.364	5.509	50	20	DKGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)c1nc(C2CC2)cs1	843264472	IMHKHRHGTVVNQO-GHXNOFRVSA-N	320.339	5.103	50	20	DKGD	
N#C/C(=C/c1ccccc1-c1ccccc1)C(=O)c1ccsc1	917518240	WQZLEDPXHHSLPS-PDGQHHTCSA-N	315.397	5.205	50	20	DKGD	
N#C/C(=C/C=C/c1ccc(F)c(F)c1)c1ccc2ccccc2n1	794696654	AMMQMMFPIACETA-LSEBBHRZSA-N	318.326	5.133	50	20	DKGD	
C=CC[C@@H](C)NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	759094498	ODHGLOIDJQFJEE-SECBINFHSA-N	315.307	5.038	50	20	DKGD	
CCC1=C(Br)CC[C@@H]1O[Si](C)(C)C(C)(C)C	1503999232	AHPKWIJQBVBLFE-LBPRGKRZSA-N	305.332	5.230	50	20	DKGD	
Cc1cc(C)c(/C=C(/C#N)c2nc3ccccc3s2)c(C)c1	213970533	MKSWEXVDHRIRPO-GDNBJRDFSA-N	304.418	5.286	50	20	DKGD	
FS(F)(F)(F)(F)c1ccc(NCc2ccsc2)cc1	689645503	UKMICZFCMXILDA-UHFFFAOYSA-N	315.332	6.018	50	20	DKGD	
N#C/C(=C/c1coc2ccccc12)c1nc2ccccc2s1	746521008	BAKUKGFZQFCJSY-XFXZXTDPSA-N	302.358	5.107	50	20	DKGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)[C@H](C)CC	779774782	LXWJUINTUNMLPS-CHWSQXEVSA-N	318.486	5.005	50	20	DKGD	
CCc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)s1	797397940	CHMBOGUMYISHLI-FLIBITNWSA-N	302.468	5.129	50	20	DKGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc1F	731490101	QSIAHXJCASWWKF-SXGWCWSVSA-N	320.392	5.322	50	20	DKGD	
C[C@@H](OC(=O)CCCC[C@@H]1CCSS1)c1ccccc1	786589842	HWJZKDMFFRRCIK-UKRRQHHQSA-N	310.484	5.005	50	20	DKGD	
Cc1cc(Cl)ccc1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	812246598	PEJLRCOKLUREPT-GHXNOFRVSA-N	322.717	5.126	50	20	DKGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1csc(-c2ccc(C)cc2)n1	741474907	UDQDJEFRGYUPPV-FBKCMUNRSA-N	324.449	5.031	50	20	DKGD	
Cc1cccc2nc(/C(C#N)=C\c3cc4ccccc4s3)[nH]c12	758419551	XRYZUXARCASGOR-UVTDQMKNSA-N	315.401	5.150	50	20	DKGD	
N#C/C(=C\c1cccc2ccccc12)c1cc(C(F)(F)F)ccn1	812245992	AGHVUOUTVRGMEQ-XNTDXEJSSA-N	324.305	5.318	50	20	DKGD	
CSc1ccc(/C=C(/C#N)c2nccc3ccccc23)cc1	790227502	KGUPPJYRHYZAQT-VBKFSLOCSA-N	302.402	5.021	50	20	DKGD	
Cc1ccsc1/C=C(/C#N)C(=O)c1cc2ccccc2s1	788328412	NXMZPNZBEBTPCR-LCYFTJDESA-N	309.415	5.061	50	20	DKGD	
C[C@H]1C[C@@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	273908103	XCOLDUQOHBJIHF-ONGXEEELSA-N	317.323	5.323	50	20	DKGD	
CC(=C/c1ccc(Cl)cc1)/C=C(\C#N)c1nc(C)cs1	797405165	NDEVMBRDIZJKQP-WIFBXHMDSA-N	300.814	5.115	50	20	DKGD	
CC(C)(C)CC(C)(C)NC(=O)CCCC[C@H]1CCSS1	913164555	WXJWWXDKBOESBJ-ZDUSSCGKSA-N	317.564	5.032	50	20	DKGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(SCc2ccccc2)cc1	771839419	WQZLYUVPMPXYAN-LDADJPATSA-N	321.445	5.111	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)o1	726429587	LUCWINDEVAEAGG-YGYTWAPGSA-N	313.784	5.122	50	20	DKGD	
C=C[C@H](C)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	752978933	YUYWCZQBPPSGKI-QMMMGPOBSA-N	316.295	5.040	50	20	DKGD	
C=CCCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	180333664	MVRPJSQTZCIJRC-UHFFFAOYSA-N	301.280	5.249	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2cccs2)cc1F	726429729	VOLMLCCDYIMVDS-ZENNRRHLSA-N	313.397	5.076	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(N[C@H]2CCSC2)c1	184034555	ZDWIPDAIVDQFDC-VIFPVBQESA-N	305.337	5.261	50	20	DKGD	
Cc1ccsc1/C=C(/C#N)C(=O)c1ccc(C(C)(C)C)cc1	915862572	RGWYOXOBSRVODN-PTNGSMBKSA-N	309.434	5.144	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)s1	726430166	XQLPYWJQOSYOFY-GVIGZQTCSA-N	313.397	5.076	50	20	DKGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)c1cccc(Cl)c1	794873903	CVOQBGIEHPKHIP-RIYZIHGNSA-N	317.722	5.067	50	20	DKGD	
CC(C)(C)CNC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	759007778	CYFKCBAKLBQDAM-UHFFFAOYSA-N	317.323	5.120	50	20	DKGD	
CCOC(=O)CCCCCCCCCCCCBr	39157883	QKUUZXSBBLUXMO-UHFFFAOYSA-N	321.299	5.236	50	20	DKGD	
CCCc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)s1	856720527	MFVFWVBPKKFBPE-XYOKQWHBSA-N	300.452	5.099	50	20	DKGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)s1	48639737	JAZXLRKADKOXEY-YFHOEESVSA-N	322.216	5.153	50	20	DKGD	
N#C/C(=C/C=C\c1ccccc1)c1nc2cc(F)ccc2s1	730148106	BSEBUORAJLXZHT-STIUHYITSA-N	306.365	5.056	50	20	DKGD	
N#C/C(=C\c1ccc2occc2c1)c1nc2ccccc2s1	794687802	HFEIFBIMBJAGRU-GXDHUFHOSA-N	302.358	5.107	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(C(C)(C)C#N)cc2)n1	846759298	UQEWKZDWUDCWTP-OQLLNIDSSA-N	321.449	5.132	50	20	DKGD	
CC(C)N(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184423420	YODUJKZQBJWLHH-UHFFFAOYSA-N	318.311	5.216	50	20	DKGD	
N#C/C(=C/c1ccc(Cl)cc1F)c1ccc2ccccc2n1	782199009	AHELEDGWPYORFM-ZROIWOOFSA-N	308.743	5.091	50	20	DKGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)c3ccsc3)o2)cc1	915989516	IUOUWNHPORONCC-MHWRWJLKSA-N	319.385	5.106	50	20	DKGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1	921138305	DHRPNOQHGDBASO-MKMNVTDBSA-N	316.187	5.092	50	20	DKGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2n1	917146469	NTONTZCVMRMYDK-PTNGSMBKSA-N	324.305	5.318	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2ccc(-c3ccccc3)cc2)sc1C	741467240	LTDXMBIEKGGUQJ-XDHOZWIPSA-N	316.429	5.491	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCC[C@@H]2CCOC2)c1	709659176	IITLPNJFPPLRDW-SNVBAGLBSA-N	317.323	5.183	50	20	DKGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)c2nc3ccccc3s2)o1	733780798	UTHQANSWNSMMAC-UFLKPIKFSA-N	306.390	5.077	50	20	DKGD	
N#C/C(=C/C=C/c1ccc(F)c(F)c1)c1nc2ccccc2s1	794690907	MQMQVLGMSWQANZ-XKZGMXHESA-N	324.355	5.195	50	20	DKGD	
CC(=C/c1ccccc1)/C=C(\C#N)c1ncc(C(C)(C)C)s1	797405597	BIDMNTWULMZQSR-DGIOSINNSA-N	308.450	5.451	50	20	DKGD	
Cc1cncc(-c2nc(CO[Si](C)(C)C(C)(C)C)cs2)c1	864541877	GBCXFGJPBBBRLL-UHFFFAOYSA-N	320.534	5.035	50	20	DKGD	
N#C/C(=C/C=C\c1ccc(F)c(F)c1)c1ccc2ccccc2n1	794696669	AMMQMMFPIACETA-STBLCCBKSA-N	318.326	5.133	50	20	DKGD	
CSc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1	917146365	LJXGBBJRIGKKGL-VBKFSLOCSA-N	302.402	5.021	50	20	DKGD	
N#C/C(=C/c1cccc2ccccc12)C(=O)c1c[nH]c2ccccc12	207893618	HNQYNYHKJVLCER-ATVHPVEESA-N	322.367	5.111	50	20	DKGD	
Cc1cccc(C(=O)/C(C#N)=C/c2csc3ccccc23)c1C	727655131	OLTXBDYRMZYLMU-XNTDXEJSSA-N	317.413	5.308	50	20	DKGD	
CC(C)CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186045206	RESXTUNVPGXXJL-UHFFFAOYSA-N	303.296	5.329	50	20	DKGD	
N#C/C(=C/c1csc2ccccc12)c1nc2ccccc2s1	117640434	MSJIUFNUHNLWSO-XFXZXTDPSA-N	318.426	5.575	50	20	DKGD	
N#C/C(=C/C=C\c1ccc(F)cc1)c1nc2ccccc2s1	747698023	FQLJUSIJWLOKCQ-KHCPYNEOSA-N	306.365	5.056	50	20	DKGD	
CCSc1cccc(/C=C(/C#N)c2nc(C(C)C)cs2)c1	769724482	IAMGLIKQGOZHNS-ZSOIEALJSA-N	314.479	5.443	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NC2CCSCC2)c1	184034293	DORXPDFIGUKPSK-UHFFFAOYSA-N	319.364	5.652	50	20	DKGD	
CC(C)c1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1	812246891	VSAILFBAVPGKQT-DHDCSXOGSA-N	316.326	5.288	50	20	DKGD	
O=C(CCCF)Nc1cccc(S(F)(F)(F)(F)F)c1	832211920	HGJWAYUSMGIORN-UHFFFAOYSA-N	307.259	5.032	50	20	DKGD	
N#C/C(=C/c1cc2ccccc2s1)c1ccc2ccccc2n1	758430902	SNTAGTXZHPUSAX-VBKFSLOCSA-N	312.397	5.514	50	20	DKGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)[C@@H](C)CC	779774784	LXWJUINTUNMLPS-QWHCGFSZSA-N	318.486	5.005	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cccc(Oc2ccccc2)c1	726428357	KITNSQVJMSQFHY-ZKMNFCBKSA-N	305.377	5.001	50	20	DKGD	
N#C/C(=C/c1ccc(Cl)cc1F)c1nc2ccccc2s1	782197256	GRPPUGVQLUKYQL-XFFZJAGNSA-N	314.772	5.153	50	20	DKGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)c1ccc2ccccc2n1	917517459	FWQSBYQNYUDZSY-NBVRZTHBSA-N	322.367	5.559	50	20	DKGD	
CC[C@@H]1C[C@@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CO1	688427774	KJNNHOAVXDSDQP-GHMZBOCLSA-N	317.323	5.323	50	20	DKGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(C(F)F)cc2)c1C	794875654	TZYSRWCBTGVQNA-MHWRWJLKSA-N	311.331	5.031	50	20	DKGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)c3ccsc3)o2)cc1	915989517	IUOUWNHPORONCC-YBEGLDIGSA-N	319.385	5.106	50	20	DKGD	
N#C/C(=C/c1ccoc1)c1nc(-c2ccc(Cl)cc2)cs1	727435184	QMEREGDOKDRICZ-QPEQYQDCSA-N	312.781	5.121	50	20	DKGD	
CCCCN(C(=O)CCCC[C@H]1CCSS1)[C@@H](C)CC	732094598	JCFGAINDGWLFFG-GJZGRUSLSA-N	317.564	5.128	50	20	DKGD	
CCCCc1oc2ccccc2c1/C=C(\C#N)C(=O)c1ccco1	732577590	MXQYOZWHNYCGSY-WYMLVPIESA-N	319.360	5.158	50	20	DKGD	
CC(C)(C)c1cnc(/C=C(\C#N)c2nccc3ccccc23)s1	790610519	VHQJYKCRCVFQNQ-GXDHUFHOSA-N	319.433	5.053	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)s1	726430169	XQLPYWJQOSYOFY-HLVNSREUSA-N	313.397	5.076	50	20	DKGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1csc2ccccc12	915990071	JEYSHNYDNDJJGJ-XYOKQWHBSA-N	309.415	5.061	50	20	DKGD	
Cc1ccccc1/C=C(/C#N)C(=O)c1cc(Cl)cc(Cl)c1	921138632	WERRUGFCYRCMOD-NSIKDUERSA-N	316.187	5.092	50	20	DKGD	
COc1ccccc1/C=C/C=C(\C#N)c1ncc(C(C)(C)C)s1	797397730	ATSYYMXBQPPYQL-VYPLWORKSA-N	324.449	5.070	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(Cl)cc2F)n1	782197690	VSXMVJJKXQDQFQ-VZUCSPMQSA-N	306.793	5.123	50	20	DKGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)c1nccc2ccccc12	790228108	MUCXWSDIXNEHBT-AUWJEWJLSA-N	308.743	5.091	50	20	DKGD	
N#C/C(=C/c1ccc(C(F)F)cc1)c1cc(C(F)(F)F)ccn1	812246883	VBVNUPFJXHTXIL-GHXNOFRVSA-N	324.252	5.102	50	20	DKGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)o1	730260046	JGJDSVJXPYOXJM-PRDIGCIASA-N	324.380	5.216	50	20	DKGD	
N#C/C(=C/C=C\c1ccccc1)c1nc2cc(Cl)ccc2s1	746683830	GXDFTVRTNUGZHP-STIUHYITSA-N	322.820	5.570	50	20	DKGD	
Cc1cc(Cl)cc(C)c1/C=C(\C#N)c1nc(C)c(C)s1	776189770	KOHYBIKSOZYFNV-NTUHNPAUSA-N	302.830	5.094	50	20	DKGD	
Cc1cccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c1C	731159174	PDHPOSXMNYRWLC-RIYZIHGNSA-N	308.381	5.116	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2cc(Cl)ccc2Cl)sc1C	753716754	FQSQGDQJJRHQRX-WZUFQYTHSA-N	309.221	5.131	50	20	DKGD	
CCCOc1cccc(/C=C(\C#N)c2nc(C(C)C)cs2)c1	747439208	HQJPCTDKEMHLDI-OQLLNIDSSA-N	312.438	5.119	50	20	DKGD	
N#C/C(=C\c1cccc2ccccc12)c1nc2ccccc2s1	5068727	VVDZKRDVRZWHQR-FOWTUZBSSA-N	312.397	5.514	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc3ccccc3s2)s1	758417916	KDLNJJNGLIHSCW-UKTHLTGXSA-N	309.415	5.061	50	20	DKGD	
COc1ccc2oc(/C=C(\C#N)c3nc(C(C)C)cs3)cc2c1	179132805	MFEYYXAPCAFSQU-MDWZMJQESA-N	324.405	5.085	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(C(F)F)cc2)n1	794874835	KBFTYVSYCALFAP-QPEQYQDCSA-N	304.365	5.268	50	20	DKGD	
CC1(C)C[C@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CO1	690185848	DAVQJEZYLZBOSO-JTQLQIEISA-N	317.323	5.323	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(Cl)s2)s1	797399855	XADJMJXJJBWDQH-TWGQIWQCSA-N	308.859	5.220	50	20	DKGD	
CCCOc1cccc(/C=C(/C#N)c2nc(C(C)C)cs2)c1	747439204	HQJPCTDKEMHLDI-DHDCSXOGSA-N	312.438	5.119	50	20	DKGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)[C@@H](C)CC	779774785	LXWJUINTUNMLPS-STQMWFEESA-N	318.486	5.005	50	20	DKGD	
CC1(C)COC[C@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	690183774	GZIHYYWZIKUAOR-LLVKDONJSA-N	317.323	5.181	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2ccccc2C(F)(F)F)n1	747440842	WTVNGTQAJLARAB-KPKJPENVSA-N	322.355	5.349	50	20	DKGD	
CC(C)(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	183393299	XEKXQLHUPVHPJQ-UHFFFAOYSA-N	303.296	5.329	50	20	DKGD	
Cc1csc(/C(C#N)=C\c2cccc(-c3ccccc3C)c2)n1	729674777	MAYSHHGUSJJLFH-WQRHYEAKSA-N	316.429	5.491	50	20	DKGD	
CCC(CC)C(=O)/C(C#N)=C/c1cnc(-c2ccc(C)cc2)s1	734304809	XBUCPXWLENOWLX-MHWRWJLKSA-N	324.449	5.031	50	20	DKGD	
CC(C)(C)c1ccc(/C=C(/C#N)c2cnc3ccccc3n2)s1	790231036	JHDCJIGDVAMUJX-RAXLEYEMSA-N	319.433	5.053	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NC[C@@H]2CCC=CO2)c1	194688412	HUKLXMHFPMRXGS-NSHDSACASA-N	315.307	5.449	50	20	DKGD	
N#C/C(=C\c1cscc1Cl)c1nc2cc(F)ccc2s1	771837475	KRGKFZJUSPEKMX-FPYGCLRLSA-N	320.801	5.214	50	20	DKGD	
CCSc1cccc(/C=C(/C#N)c2nccc3ccccc23)c1	790229419	ZBKDKTBHIIVPFG-ATVHPVEESA-N	316.429	5.411	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2nccc3ccccc23)s1	797398663	JNRKIWAVGUFARU-GXDHUFHOSA-N	319.433	5.053	50	20	DKGD	
Cc1cc(CNc2cccc(S(F)(F)(F)(F)F)c2)on1	690237654	RYWPPRHKNUZRKG-UHFFFAOYSA-N	314.279	5.253	50	20	DKGD	
N#C/C(=C/C=C\c1ccc(F)c(F)c1)c1nccc2ccccc12	794713216	LNOKVIORLXASET-STBLCCBKSA-N	318.326	5.133	50	20	DKGD	
Cc1ccc(/C=C(\C#N)c2nccc3ccccc23)cc1Cl	766491321	OBKXHRFTANMBKJ-MHWRWJLKSA-N	304.780	5.261	50	20	DKGD	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)s1)c1ccccn1	14175636	AGJXHQOZIUXGRK-SDNWHVSQSA-N	306.365	5.013	50	20	DKGD	
CCCCOc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)cc1	741474787	ROCFNXDBTVXNGL-LFIBNONCSA-N	312.438	5.003	50	20	DKGD	
C=C(C)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	779451967	JTQKPRAELGWKDJ-UHFFFAOYSA-N	316.295	5.042	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2)s1	726429436	UCSSKGBFBPLNIM-LQELWAHVSA-N	313.397	5.076	50	20	DKGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(-c2ccccc2)cs1	726118201	JSZMDFNOWCEMBX-YBEGLDIGSA-N	309.434	5.327	50	20	DKGD	
N#C/C(=C\c1c(Cl)ccc(Cl)c1Cl)c1ccccn1	817908167	AXFHRUCQCGJGBX-VQHVLOKHSA-N	309.583	5.106	50	20	DKGD	
CC(=C\c1ccccc1)/C=C(\C#N)c1nc2ccccc2s1	5516753	DVDUQPVKEHJPTM-MHMBTURYSA-N	302.402	5.307	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)s1	726430130	XIZNONJAWRWCLV-IXJPEXDMSA-N	313.397	5.076	50	20	DKGD	
CCN(C(=O)CCCC[C@@H]1CCSS1)c1ccccc1C	918618307	GQCOCODVIMWLAB-OAHLLOKOSA-N	323.527	5.062	50	20	DKGD	
C[C@H]1COCC[C@@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	192731002	YDQPMOAASZIZRQ-CABZTGNLSA-N	317.323	5.181	50	20	DKGD	
CCC[C@@H](C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753627211	VMVDJJHCOONWBN-SECBINFHSA-N	317.323	5.719	50	20	DKGD	
CC(C)(C)c1cnc(/C=C(/C#N)c2nccc3ccccc23)s1	790610522	VHQJYKCRCVFQNQ-UVTDQMKNSA-N	319.433	5.053	50	20	DKGD	
Cc1cc(C)c(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1C	812246754	TZGASKGCTGYBHY-OVCLIPMQSA-N	316.326	5.090	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C\c1c(Cl)ccc(Cl)c1Cl	817910962	MQQCKLJXLUZXBV-VURMDHGXSA-N	316.615	5.169	50	20	DKGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)s1	915990977	UMFMJXCJYSZJOI-LCYFTJDESA-N	315.825	5.201	50	20	DKGD	
N#C/C(=C\c1ccsc1Cl)c1nc2ccccc2s1	790100855	JHTHRCDHBMBWDP-JXMROGBWSA-N	302.811	5.075	50	20	DKGD	
C/C=C(/C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	588588278	MXOSBUSXNHSXMS-BAQGIRSFSA-N	301.280	5.249	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(OCC3CC3)cc2)n1	790099367	FMGDNFDKXCGDGE-SXGWCWSVSA-N	324.449	5.119	50	20	DKGD	
N#C/C(=C/c1cc(-c2ccccc2)cs1)C(=O)c1ccccc1	917517710	XEJKMHLJKJXJNK-BOPFTXTBSA-N	315.397	5.205	50	20	DKGD	
N#C/C(=C/c1ccc(-c2ccccc2Cl)s1)c1ccccn1	58611659	XQASHWHXBWNISJ-QBFSEMIESA-N	322.820	5.528	50	20	DKGD	
Cc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1Cl	843264820	KIRUFQVXSBWRBP-MLPAPPSSSA-N	300.814	5.047	50	20	DKGD	
C[C@H](CC#N)N(C)Cc1cccc(S(F)(F)(F)(F)F)c1	891934094	QOWNDYHXTCJFMV-SNVBAGLBSA-N	314.323	5.078	50	20	DKGD	
COC[C@@H](C)CNc1cccc(S(F)(F)(F)(F)F)c1	188487564	HMYLIHSPPPFNHO-VIFPVBQESA-N	305.312	5.038	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(N[C@@H]2CCCOCC2)c1	690174770	IYXKDZSJTKHBCN-SNVBAGLBSA-N	317.323	5.325	50	20	DKGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3occc3C)n2)cc1	742349207	BMGIGODGDUJMPY-OQLLNIDSSA-N	306.390	5.084	50	20	DKGD	
FC(F)C1CC(Nc2cccc(S(F)(F)(F)(F)F)c2)C1	769559668	ZLSBQNXRSKXGFQ-UHFFFAOYSA-N	323.277	5.800	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)s1	726430133	XIZNONJAWRWCLV-YGYTWAPGSA-N	313.397	5.076	50	20	DKGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)c1ccc2ccccc2n1	776720292	LRFJXNOHXFKTQK-AUWJEWJLSA-N	308.743	5.091	50	20	DKGD	
N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2o1	33614629	SGPQYUZKDFRVJI-XFFZJAGNSA-N	315.159	5.199	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2)s1	726429438	UCSSKGBFBPLNIM-XTCQQWIJSA-N	313.397	5.076	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2ccc(-c3ccccc3)o2)sc1C	741474111	NXQWCUOHVBQHKW-XNTDXEJSSA-N	306.390	5.084	50	20	DKGD	
N#C/C(=C/C=C/c1ccc(F)cc1F)c1ccc2ccccc2n1	758018191	URLPMLFHPPZIPW-QCWVPXHQSA-N	318.326	5.133	50	20	DKGD	
C=CCOc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1	797399525	SZSVGCDIOGCNLU-RVDMUPIBSA-N	324.449	5.070	50	20	DKGD	
N#C/C(=C/c1ccccc1Cl)c1nc2cc(F)ccc2s1	730149777	ZIVQQBAYGJAHGP-XFFZJAGNSA-N	314.772	5.153	50	20	DKGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)c1ccc(Cl)s1	783688116	UTUDOAPFLHIILM-UKTHLTGXSA-N	313.809	5.069	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cncc3ccccc23)s1	797399397	RXVDPHBLDPEWJV-ZSOIEALJSA-N	319.433	5.053	50	20	DKGD	
CCCn1cccc1/C=C(/C#N)c1nc(-c2ccccc2)cs1	918183942	DREYBUXDTIJBEC-VBKFSLOCSA-N	319.433	5.086	50	20	DKGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)s1	915990212	JRFODLBSCUWHLA-LCYFTJDESA-N	315.825	5.201	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCc2ccccc2)c1	690235745	DBTKBRDGOYVEME-UHFFFAOYSA-N	309.303	5.956	50	20	DKGD	
FC(F)(F)CCNc1cccc(S(F)(F)(F)(F)F)c1	709667614	AXFYFZWAPOBXDV-UHFFFAOYSA-N	315.229	5.708	50	20	DKGD	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)s1)c1ccccn1	914703186	QEGJZBLNGFWASS-SDNWHVSQSA-N	322.820	5.528	50	20	DKGD	
CC(C)=C(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792549524	IVGDWADSBNWWNI-UHFFFAOYSA-N	315.307	5.639	50	20	DKGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(C(F)F)cc2)c1	794873703	AMTVQYJIXSEVKN-YVLHZVERSA-N	311.331	5.031	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cccc3cnccc23)s1	797398393	HIJMOSQGIVKSSS-DHDCSXOGSA-N	319.433	5.053	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2)s1	729820014	JBRIKKXFCXIDEH-WCIBSUBMSA-N	322.216	5.153	50	20	DKGD	
C[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCOC1	184034372	IAMKIEXJAVBGQD-NXEZZACHSA-N	317.323	5.181	50	20	DKGD	
CC(=C/c1ccc(Cl)cc1)/C=C(/C#N)c1nc2ccccc2[nH]1	753714209	MCAJYWUTZWMTGI-BDXDCFHCSA-N	319.795	5.227	50	20	DKGD	
Cc1cccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c1C	303421440	YNFITTWPUWCMHR-WQRHYEAKSA-N	316.429	5.491	50	20	DKGD	
CCc1cccc2c(/C=C(\C#N)c3nc(C(C)C)cs3)c[nH]c12	747440144	QEKSRASMEUUTER-RIYZIHGNSA-N	321.449	5.374	50	20	DKGD	
CCCOc1ccc(/C=C(/C#N)c2nccc3ccccc23)cc1	790227141	FAXNSVIMKAEBSA-JXAWBTAJSA-N	314.388	5.088	50	20	DKGD	
Cc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc1C	730148471	HEYAKFRFIFZXQT-ZSOIEALJSA-N	308.381	5.116	50	20	DKGD	
C[C@@H](CCC#N)CNc1cccc(S(F)(F)(F)(F)F)c1	877364489	AQPXAJNLUPTKIQ-JTQLQIEISA-N	314.323	5.696	50	20	DKGD	
CC[C@@H](CC#N)NCc1cccc(S(F)(F)(F)(F)F)c1	893607232	WMSMRHJTWAQFFT-NSHDSACASA-N	314.323	5.126	50	20	DKGD	
COCC[C@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	185558136	ABPJUBDUZGLKMB-VIFPVBQESA-N	305.312	5.181	50	20	DKGD	
N#C/C(=C\c1ccc2ccccc2c1)c1nccc2ccccc12	790228398	PPRVZTQCPAINMG-XSFVSMFZSA-N	306.368	5.452	50	20	DKGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C1CCC1	186057473	OLQQRPLMUIMKJG-UHFFFAOYSA-N	301.280	5.083	50	20	DKGD	
O=C(CC1CC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	276907662	PRBIPNKPEBUNGP-UHFFFAOYSA-N	301.280	5.083	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)c1Cl	726428765	POJXNVHVXCBOHM-GTUWVTDSSA-N	316.615	5.169	50	20	DKGD	
N#C/C(=C/c1cccc(CCl)c1)c1nc2ccccc2s1	799889484	OUTKDXGPSZOYCJ-ZROIWOOFSA-N	310.809	5.099	50	20	DKGD	
CC[C@@H](C)CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	790893606	SLMMNISAIKVWLZ-SECBINFHSA-N	317.323	5.719	50	20	DKGD	
C[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccccn1	184034192	HIHSRJQMNYDKCT-SNVBAGLBSA-N	324.318	5.912	50	20	DKGD	
Cn1ccc(CNc2cccc(S(F)(F)(F)(F)F)c2)c1	690235213	ABSWMUHMEJVHJP-UHFFFAOYSA-N	312.307	5.295	50	20	DKGD	
N#C/C(=C\c1ccccc1Cl)c1nc2cc(F)ccc2s1	730149780	ZIVQQBAYGJAHGP-YRNVUSSQSA-N	314.772	5.153	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(Cl)c(F)c2)n1	747440358	SRIGHCUIKKJBPL-VZUCSPMQSA-N	306.793	5.123	50	20	DKGD	
CC(/C=C(/C#N)c1nc(C)c(C)s1)=C\c1ccc(Cl)cc1	753717206	JGKZVQGRXGYJND-OATQETJUSA-N	314.841	5.424	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(F)c(Cl)c2)s1	797398413	HMFOBLVPAORLIP-IZZDOVSWSA-N	320.820	5.297	50	20	DKGD	
Cc1ccccc1/C=C(/C#N)C(=O)c1c(Cl)cccc1Cl	206997566	SFCNBXUMUHJRML-LCYFTJDESA-N	316.187	5.092	50	20	DKGD	
Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(C)cs3)s2)cc1	920485533	HXTAIAJOLOSGKT-OQLLNIDSSA-N	322.458	5.553	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2)s1	726117888	FDUOZHWGOPQJTL-UVTDQMKNSA-N	313.397	5.076	50	20	DKGD	
N#C/C(=C/C=C/c1ccc(F)cc1)c1nc2cc(F)ccc2s1	747692214	FOMDUMLXTCXGAE-LIPWGUAESA-N	324.355	5.195	50	20	DKGD	
N#C/C(=C/c1ccc(F)c(-c2cccs2)c1)c1ccccn1	54895492	NBLWGYHPKJPZAZ-UVTDQMKNSA-N	306.365	5.013	50	20	DKGD	
CCN(CC)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181776337	WUOBIDLDPCNPRK-UHFFFAOYSA-N	318.311	5.218	50	20	DKGD	
CC1(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	186084358	CVLCOLAIWKECTJ-UHFFFAOYSA-N	301.280	5.083	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2cccs2)cc1F	726429723	VOLMLCCDYIMVDS-CDCQXCROSA-N	313.397	5.076	50	20	DKGD	
Cc1cc(/C=C(/C#N)c2nccc3ccccc23)ccc1Cl	790229278	WSCROOPBEBPELJ-WJDWOHSUSA-N	304.780	5.261	50	20	DKGD	
O=C(CC1CCC1)Nc1cccc(S(F)(F)(F)(F)F)c1	186049926	RBKOJVJVVWHNNS-UHFFFAOYSA-N	315.307	5.473	50	20	DKGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1csc(-c2ccc(C)cc2)n1	741474911	UDQDJEFRGYUPPV-KWZJRMENSA-N	324.449	5.031	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2c(F)cccc2Cl)n1	747440201	RNLPQOCVRYXVTP-POHAHGRESA-N	306.793	5.123	50	20	DKGD	
CC(/C=C(\C#N)c1ccccn1)=C\c1ccccc1C(F)(F)F	799889757	SAINWMRYZNWWFU-FVIOEUFFSA-N	314.310	5.111	50	20	DKGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C12CC(C1)C2	875539719	WGFRLFKIVFAPDU-UHFFFAOYSA-N	313.291	5.083	50	20	DKGD	
CCCOc1cccc(/C=C(/C#N)c2ccc3ccccc3n2)c1	917144330	GCVFULFJUDXEEB-AQTBWJFISA-N	314.388	5.088	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(-c2cccs2)cc1F	726117949	GTIOWEXNKNWTRE-OQLLNIDSSA-N	313.397	5.076	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1sc2ccccc2c1Cl	726428749	PHLRXWQLCNQLPO-UBYNWHESSA-N	303.814	5.077	50	20	DKGD	
O=C(/C=C/C1CC1)Nc1cccc(S(F)(F)(F)(F)F)c1	762517840	GJLQUUGOUAJWHX-VOTSOKGWSA-N	313.291	5.249	50	20	DKGD	
C/C=C(\CC)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	788959776	CNZNWHGGSXXNQG-YCRREMRBSA-N	315.307	5.639	50	20	DKGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2)s1)c1ccccn1	131059752	YJBJMGXGLPABCK-KAMYIIQDSA-N	306.365	5.013	50	20	DKGD	
C[C@H](CCC(C)(C)C)NC(=O)CCCC[C@@H]1CCSS1	736258185	IFLXNAUTKRYMNG-ZIAGYGMSSA-N	317.564	5.032	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2cnc(C3CCC3)s2)n1	155229431	UMKULHUBKGISPL-WUXMJOGZSA-N	315.467	5.055	50	20	DKGD	
C[C@@H](ON1C(C)(C)CCCC1(C)C)c1ccc(CCl)cc1	95616855	SQIBFIFOLCKDOG-CQSZACIVSA-N	309.881	5.461	50	20	DKGD	
N#C/C(=C\c1ccccc1C1CC1)c1nc2ccccc2s1	750818144	PZLGWSIGHCEDGL-RVDMUPIBSA-N	302.402	5.238	50	20	DKGD	
CC[C@H](C)CC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792551190	YSEOABCXBHUWHL-VIFPVBQESA-N	317.323	5.719	50	20	DKGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)c1nc(C2CC2)cs1	843263639	CPNGUXGASTURGE-WUXMJOGZSA-N	320.339	5.103	50	20	DKGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)c2nc3ccccc3s2)o1	16967973	UTHQANSWNSMMAC-XEGJVCIASA-N	306.390	5.077	50	20	DKGD	
CC(C)C(=NNC(=O)c1ccc2ccccc2c1)C1CCCCC1	733901385	MQJUTPAXWBPBQB-UHFFFAOYSA-N	322.452	5.162	50	20	DKGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc(-c2ccccc2)cs1	918713812	NVBZMKBXNRKNDB-DHDCSXOGSA-N	309.434	5.327	50	20	DKGD	
O=C(/C=C\C1CC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	792546654	DFTWALISQRQIME-BAQGIRSFSA-N	313.291	5.249	50	20	DKGD	
N#C/C(=C/c1cccc2ccccc12)C(=O)c1cccc(Cl)c1	810216064	DLKQUIQDPQQZNQ-BOPFTXTBSA-N	317.775	5.283	50	20	DKGD	
Cc1cc(C)c(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c(C)c1	812246643	QSGVPHTWTIWSTK-ZSOIEALJSA-N	316.326	5.090	50	20	DKGD	
CC(/C=C(/C#N)c1nc(C)cs1)=C\c1ccc(Cl)cc1	797405164	NDEVMBRDIZJKQP-IRRVLEPVSA-N	300.814	5.115	50	20	DKGD	
CCOC[C@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	184034329	YBUZOSVXKBEFKK-VIFPVBQESA-N	305.312	5.181	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2ccc3c(c2)CC(C)(C)O3)n1	747437755	XDONATDBUAQLGW-OVCLIPMQSA-N	324.449	5.044	50	20	DKGD	
Cc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1F	209783066	PRQGPGXCNCMOBC-MHWRWJLKSA-N	320.392	5.322	50	20	DKGD	
CCC1(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	762517832	NRCDPXNNUAXRLM-UHFFFAOYSA-N	315.307	5.473	50	20	DKGD	
CCCOc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1	747438980	ARNLKPXHWFRWID-XNTDXEJSSA-N	312.438	5.119	50	20	DKGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CC[C@H](C)CC	808078385	QWZFQPOGUIKIJM-CYBMUJFWSA-N	318.486	5.149	50	20	DKGD	
COCCC[C@@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	273841938	HZWUTWVXRNVEMD-SNVBAGLBSA-N	319.339	5.571	50	20	DKGD	
Cc1csc(/C(C#N)=C/c2cccc(-c3ccccc3C)c2)n1	729674776	MAYSHHGUSJJLFH-WOJGMQOQSA-N	316.429	5.491	50	20	DKGD	
CC/C=C(/C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762517292	FQLVWOMDVHBAJR-UITAMQMPSA-N	315.307	5.639	50	20	DKGD	
C/C=C/C=C\C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762527657	DHZOMPJJUBBPLI-HOJFPOIOSA-N	313.291	5.415	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(F)c(Cl)c2)s1	797398415	HMFOBLVPAORLIP-WDZFZDKYSA-N	320.820	5.297	50	20	DKGD	
FS(F)(F)(F)(F)c1ccc(-c2nc(C3CC3)no2)cc1	758853431	MNPBEPWKFBVGCA-UHFFFAOYSA-N	312.263	5.271	50	20	DKGD	
C[C@H]1C[C@@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CS1	690237671	SEZBGBDHVJGBNN-WCBMZHEXSA-N	319.364	5.650	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(C(F)(F)F)cc2)n1	747437945	YTSHFCNAIBJORS-GHXNOFRVSA-N	322.355	5.349	50	20	DKGD	
CC(=C/c1ccccc1)/C=C(/C#N)c1nc2cc(F)ccc2s1	730149488	XOBWXPDYZSSBBH-VIYDEIPASA-N	320.392	5.446	50	20	DKGD	
CCC[C@@H](C)NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	758824963	APRADADMHCHXSP-SECBINFHSA-N	317.323	5.262	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2csc(Cl)c2Cl)sc1C	761481859	YREVEFOPRLIIAO-FPYGCLRLSA-N	315.250	5.192	50	20	DKGD	
N#C/C(=C/c1ccccc1C(F)(F)F)c1nc(C2CC2)cs1	864095763	AAMRBMVKXGEFRY-GHXNOFRVSA-N	320.339	5.103	50	20	DKGD	
N#C/C(=C/C=C/c1ccc(F)cc1)c1nc2ccccc2s1	747698031	FQLJUSIJWLOKCQ-WLXMHCNISA-N	306.365	5.056	50	20	DKGD	
CCSc1cccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c1	769723610	AELUVMFIZLRBJM-GDNBJRDFSA-N	319.433	5.048	50	20	DKGD	
N#C/C(=C/c1cc2ccccc2s1)c1nccc2ccccc12	790229410	YTFLDJYNEZIBLZ-VBKFSLOCSA-N	312.397	5.514	50	20	DKGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1cccc(C)c1C	727653866	BAMFOZNRSJXATF-CAOIWOLBSA-N	301.389	5.040	50	20	DKGD	
Cc1cc(C)cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c1	921265201	AUHOAQHQDHNXGX-WOJGMQOQSA-N	316.429	5.491	50	20	DKGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc1	59270809	NRFHEPLQNBJTRK-UKTHLTGXSA-N	316.187	5.092	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C\c1sc2ccccc2c1Cl	744834122	HRSXFGPFQHMRPE-NTMALXAHSA-N	303.814	5.077	50	20	DKGD	
N#C/C(=C\c1cc2ccccc2s1)c1ccc2ccccc2n1	758430773	SNTAGTXZHPUSAX-FOWTUZBSSA-N	312.397	5.514	50	20	DKGD	
Cc1cccc2nc(/C(C#N)=C/c3csc4ccccc34)[nH]c12	735619670	ORDDUDXKESUAOP-UKTHLTGXSA-N	315.401	5.150	50	20	DKGD	
N#C/C(=C\c1cc2ccccc2s1)c1nc2ccccc2s1	758417881	YBHOKFQDXUIHLE-JLHYYAGUSA-N	318.426	5.575	50	20	DKGD	
CC(C)=C(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762517775	NBWCHXZHTOLWRH-UHFFFAOYSA-N	315.307	5.639	50	20	DKGD	
C=C[C@H](C)OC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	781577945	DJPVEEKVEGEOKO-QMMMGPOBSA-N	302.264	5.075	50	20	DKGD	
C[C@H](ON1C(C)(C)CCCC1(C)C)c1ccc(CCl)cc1	95616854	SQIBFIFOLCKDOG-AWEZNQCLSA-N	309.881	5.461	50	20	DKGD	
CCc1cccc(C)c1NC(=O)CCCC[C@H]1CCSS1	748532197	FMCWHZHYRJVKQW-HNNXBMFYSA-N	323.527	5.210	50	20	DKGD	
O=C(/C=C/c1cccc(CCl)c1)c1c(F)cccc1Cl	809159789	WUPVPVZJYSGMFL-BQYQJAHWSA-N	309.167	5.114	50	20	DKGD	
Cc1csc(/C(C#N)=C/c2sc3ccccc3c2Cl)n1	17476553	JBPFWZVCERUAMX-UXBLZVDNSA-N	316.838	5.384	50	20	DKGD	
FC(F)(F)c1c(CBr)cccc1-c1ccccc1	2090608792	OTWOGVYEMAQGOY-UHFFFAOYSA-N	315.132	5.267	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(-c2cccs2)c1	726427888	AHKPMDHDRHCDJB-ZMTLZGASSA-N	313.397	5.076	50	20	DKGD	
C=CC1=C(Br)CC[C@H]1O[Si](C)(C)C(C)(C)C	1503999868	XCCXLRCDIXEFRV-GFCCVEGCSA-N	303.316	5.006	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cc(Cl)ccc2F)s1	797399178	PINZTWXUAYDABI-WDZFZDKYSA-N	320.820	5.297	50	20	DKGD	
CCc1ccc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)cc1	916641466	KBTMMVPEIMEXJI-PTNGSMBKSA-N	323.346	5.058	50	20	DKGD	
O=C(OC1CCC1)c1ccc(S(F)(F)(F)(F)F)cc1	760220277	RAVUZKVSRNFSFG-UHFFFAOYSA-N	302.264	5.053	50	20	DKGD	
N#C/C(=C\c1ccc(C(F)F)c(F)c1)c1nc(C2CC2)cs1	899345570	PBBZNHJCLWQTBD-VZUCSPMQSA-N	320.339	5.161	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)s1	726120235	NERFQZCMZIGTES-JLHYYAGUSA-N	313.397	5.076	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2cccs2)cc1F	726429727	VOLMLCCDYIMVDS-KMHUVPDISA-N	313.397	5.076	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1	726430759	WYPDTGLGUKIJNF-XTCQQWIJSA-N	313.784	5.122	50	20	DKGD	
Cc1ccccc1-c1cccc(/C=C(\C#N)C(=O)C(C)(C)C)c1	729641802	YFSLGFARURWXGW-QGOAFFKASA-N	303.405	5.184	50	20	DKGD	
N#C/C(=C/c1cc(F)cc(F)c1)c1nc(-c2ccccc2)cs1	755407530	NFWNCDPXOFRTRV-NSIKDUERSA-N	324.355	5.152	50	20	DKGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)c1nccc2ccccc12	790229395	YOYQECUYFTYJTO-GDNBJRDFSA-N	324.305	5.318	50	20	DKGD	
CCN(C(=O)CCCC[C@H]1CCSS1)c1cccc(C)c1	914757671	AMQJPAFXCVRWBW-INIZCTEOSA-N	323.527	5.062	50	20	DKGD	
N#C/C(=C\c1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12	16441558	WOYRPTUZOWTLAT-LDADJPATSA-N	322.367	5.111	50	20	DKGD	
CC(C)[C@@H](F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792547311	JSQVPJJKAMWRPQ-SNVBAGLBSA-N	321.286	5.277	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	726429490	UNQZSHQMSASDJZ-HIXWQLQUSA-N	312.457	5.132	50	20	DKGD	
N#C/C(=C\c1ccccc1-c1ccccc1)C(=O)c1ccsc1	917518239	WQZLEDPXHHSLPS-LDADJPATSA-N	315.397	5.205	50	20	DKGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cnc(C(C)C)s2)cc1	758414955	FUQAGEICYJOZEU-YBEGLDIGSA-N	324.449	5.009	50	20	DKGD	
CCc1cccc2c(/C=C(\C#N)c3ccc4ccccc4n3)c[nH]c12	917144760	NPRGPIOSJDBRDC-SFQUDFHCSA-N	323.399	5.343	50	20	DKGD	
CC(C)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181781576	GYRKFTVFSFNAKU-UHFFFAOYSA-N	318.311	5.122	50	20	DKGD	
N#C/C(=C/c1ccc(C(F)F)cc1)c1nc(C2CC2)cs1	843266532	WZPOYSRLZIGBMI-QPEQYQDCSA-N	302.349	5.022	50	20	DKGD	
N#C/C(=C/c1ccccc1-c1ccccc1)c1nc2ccccc2[nH]1	917517148	JZJLPTIYOWPKCS-JXAWBTAJSA-N	321.383	5.294	50	20	DKGD	
CO[C@H](C)[C@@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	273831706	GCUHZQSXQZXRIT-RKDXNWHRSA-N	305.312	5.179	50	20	DKGD	
Cc1csc(/C(C#N)=C\c2cc(-c3ccccc3)cs2)n1	55038425	SDUHCXGFRZZTHY-AUWJEWJLSA-N	308.431	5.244	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)s1	215050319	QXSIKSOHNDJZFQ-BENRWUELSA-N	313.397	5.076	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2cc(Cl)ccc2F)n1	753687783	RJKREFLAIWTTCN-WZUFQYTHSA-N	306.793	5.123	50	20	DKGD	
CC1(C)C[C@H]1C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762519401	ZFAUAZDYZXOFAT-JTQLQIEISA-N	315.307	5.329	50	20	DKGD	
N#C/C(=C/c1ccccc1-c1ccccc1)C(=O)c1ccccc1	917517122	JADQBFXSHPHWKU-HKWRFOASSA-N	309.368	5.143	50	20	DKGD	
N#C/C(=C\c1sccc1Cl)c1nc2cc(F)ccc2s1	780005019	RCZKPMVMAGMKPU-VMPITWQZSA-N	320.801	5.214	50	20	DKGD	
N#C/C(=C/c1cccc2ccccc12)c1nccc2ccccc12	790228379	PHHYSOQPAAMVLK-RGEXLXHISA-N	306.368	5.452	50	20	DKGD	
CCCNC(=S)Nc1cccc(S(F)(F)(F)(F)F)c1	690184278	JRCVJFQLNFWUQF-UHFFFAOYSA-N	320.352	5.040	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cscc2Cl)s1	797398620	JGABRTBPFZAINQ-WTKPLQERSA-N	308.859	5.220	50	20	DKGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)c1cc2ccccc2o1	916131580	ZSZANNXLJWNJNM-UNOMPAQXSA-N	323.351	5.376	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1	726428355	KITNSQVJMSQFHY-YHZJOHHESA-N	305.377	5.001	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cc(Cl)cs2)s1	797397697	ANOJCVPOCKUDBQ-WTKPLQERSA-N	308.859	5.220	50	20	DKGD	
Cc1cc(C)cc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)c1	921266201	WVEKIHRJVHXMMM-GDNBJRDFSA-N	323.346	5.112	50	20	DKGD	
CO[C@@H](C)[C@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	273831704	GCUHZQSXQZXRIT-IUCAKERBSA-N	305.312	5.179	50	20	DKGD	
C[C@H](OC(=O)CCCC[C@@H]1CCSS1)c1ccccc1	786589833	HWJZKDMFFRRCIK-DZGCQCFKSA-N	310.484	5.005	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NC[C@H]2CCCOC2)c1	690176072	RRICOVPLUZFOIK-SNVBAGLBSA-N	317.323	5.183	50	20	DKGD	
CCc1cccc2c(/C=C(\C#N)c3nc(C4CC4)cs3)c[nH]c12	843263724	DRTCEBOFQHQQBY-RIYZIHGNSA-N	319.433	5.128	50	20	DKGD	
N#C/C(=C/c1c(F)cccc1Cl)c1nccc2ccccc12	790227244	DBNLWFDZDJBOCO-RAXLEYEMSA-N	308.743	5.091	50	20	DKGD	
CCc1cccc2c(/C=C(\C#N)c3nccc4ccccc34)c[nH]c12	790227868	LORUDXFVWZRRIP-SFQUDFHCSA-N	323.399	5.343	50	20	DKGD	
COC(C)(C)CCNc1cccc(S(F)(F)(F)(F)F)c1	690178045	ANFSMSUVVOAFKR-UHFFFAOYSA-N	319.339	5.571	50	20	DKGD	
Cc1ccc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)cc1	810250450	ICNBMGISGAGLEN-WUXMJOGZSA-N	322.717	5.126	50	20	DKGD	
CCCN(CC)C(=O)c1ccc(S(F)(F)(F)(F)F)cc1	758933377	BOYYVFWXTDQYIJ-UHFFFAOYSA-N	317.323	5.216	50	20	DKGD	
N#C/C(=C\c1ccc(Sc2ccccc2)cc1)c1ccccn1	753887098	BISFZTUOKGRTPB-SAPNQHFASA-N	314.413	5.297	50	20	DKGD	
COCCC[C@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	273841934	HZWUTWVXRNVEMD-JTQLQIEISA-N	319.339	5.571	50	20	DKGD	
CCCCc1oc2ccccc2c1/C=C(/C#N)C(=O)c1ccco1	732577589	MXQYOZWHNYCGSY-OWBHPGMISA-N	319.360	5.158	50	20	DKGD	
N#C/C(=C/c1ccccc1C1CC1)c1cc(C(F)(F)F)ccn1	812248380	LCQHGBPBCUIPEN-ZROIWOOFSA-N	314.310	5.042	50	20	DKGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CC[C@@H](C)CC	808078387	QWZFQPOGUIKIJM-ZDUSSCGKSA-N	318.486	5.149	50	20	DKGD	
Cc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1Cl	812248861	SRCASXJBEJOXTE-WUXMJOGZSA-N	322.717	5.126	50	20	DKGD	
COCC[C@@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	185558156	ABPJUBDUZGLKMB-SECBINFHSA-N	305.312	5.181	50	20	DKGD	
CC(C)(C)c1cnc(/C=C(/C#N)c2ccc3ccccc3n2)s1	790602789	HCBZRXBOKHPPOW-UVTDQMKNSA-N	319.433	5.053	50	20	DKGD	
CC(=C/c1ccccc1)/C=C(\C#N)c1cc(C(F)(F)F)ccn1	812246294	IOHOGHUOEYYPIJ-AYMWWVTDSA-N	314.310	5.111	50	20	DKGD	
N#C/C(=C/c1ccccc1C1CC1)c1nc2ccccc2s1	750818143	PZLGWSIGHCEDGL-PTNGSMBKSA-N	302.402	5.238	50	20	DKGD	
N#C/C(=C\c1cscc1Cl)c1nc2ccccc2s1	771839881	IMJPDFDNYBCQDO-WEVVVXLNSA-N	302.811	5.075	50	20	DKGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1	7714376	GLKBVZZQUMMKOB-CPNJWEJPSA-N	313.356	5.045	50	20	DKGD	
N#C/C(=C/c1cnc(C2CCC2)s1)c1ccc2ccccc2n1	760263429	NVVWKQGFZNIUFH-GDNBJRDFSA-N	317.417	5.023	50	20	DKGD	
Cc1cc(/C=C(/C#N)c2nc(C(C)C)cs2)ccc1Cl	779704614	SZQKFPGNLPWYEQ-QPEQYQDCSA-N	302.830	5.293	50	20	DKGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)s1	788330016	CVDXEBWERQXFER-JYRVWZFOSA-N	309.415	5.061	50	20	DKGD	
C[C@@H]1O[C@H](C)C[C@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	690176192	UZTWQJPEIDHXNB-VDDIYKPWSA-N	317.323	5.322	50	20	DKGD	
Cc1cc(Cl)ccc1/C=C(\C#N)c1nccc2ccccc12	790227821	JLQUEJIQXPLZAB-LFIBNONCSA-N	304.780	5.261	50	20	DKGD	
CC(C)Sc1cccc(Cl)c1/C=C(/C#N)c1ccccn1	170612960	DRCPAZIFCSMQAX-RAXLEYEMSA-N	314.841	5.300	50	20	DKGD	
CC(/C=C(/C#N)C(=O)c1cc2ccccc2o1)=C\c1ccccc1	744859573	VIVRJFLIGXUCEB-YGPCBGHTSA-N	313.356	5.169	50	20	DKGD	
CCc1cccc(C)c1NC(=O)CCCC[C@@H]1CCSS1	748532204	FMCWHZHYRJVKQW-OAHLLOKOSA-N	323.527	5.210	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc3occc3c2)s1	794692153	SIFORELZSYPBDK-NTEUORMPSA-N	308.406	5.251	50	20	DKGD	
CC/C(C)=C(/C)C(=O)Nc1c(CC)cc(SC#N)cc1CC	779774485	GXKOJOUJVVHIJT-SEYXRHQNSA-N	316.470	5.069	50	20	DKGD	
CC/C=C(/C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753627237	YDBKFKXUAYCUDO-WTKPLQERSA-N	315.307	5.639	50	20	DKGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)s1	915990978	UMFMJXCJYSZJOI-UKTHLTGXSA-N	315.825	5.201	50	20	DKGD	
Cc1ccccc1/C=C(\C#N)C(=O)c1cc(Cl)cc(Cl)c1	921138631	WERRUGFCYRCMOD-MKMNVTDBSA-N	316.187	5.092	50	20	DKGD	
Cc1ccsc1/C=C(/C#N)c1nc(-c2ccccc2)cs1	33395436	FMGKBDNQDVIIEE-ZROIWOOFSA-N	308.431	5.244	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)s1	27053547	QXSIKSOHNDJZFQ-ZRDIBKRKSA-N	313.397	5.076	50	20	DKGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)c1cc2ccccc2o1	794873514	SWTKNJFAVRMQMM-OQLLNIDSSA-N	323.298	5.160	50	20	DKGD	
FC1(F)CC(NCc2cccc(S(F)(F)(F)(F)F)c2)C1	922058718	AQORGONCWIGOAH-UHFFFAOYSA-N	323.277	5.231	50	20	DKGD	
Cc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)ccc1F	78494155	PRQGPGXCNCMOBC-YBEGLDIGSA-N	320.392	5.322	50	20	DKGD	
CSc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1	176939917	SXCFMFCRJHPQGV-MDWZMJQESA-N	300.452	5.053	50	20	DKGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3cccs3)n2)cc1	33388411	UCVVVLACKCHCAS-ZROIWOOFSA-N	308.431	5.244	50	20	DKGD	
C[C@@H]1C[C@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CS1	690237670	SEZBGBDHVJGBNN-SCZZXKLOSA-N	319.364	5.650	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cccc3cnccc23)s1	797398398	HIJMOSQGIVKSSS-OQLLNIDSSA-N	319.433	5.053	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(N[C@H]2CCCOCC2)c1	690174768	IYXKDZSJTKHBCN-JTQLQIEISA-N	317.323	5.325	50	20	DKGD	
CCCOc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1	917145296	YCCXLNNBPNQXPZ-JXAWBTAJSA-N	314.388	5.088	50	20	DKGD	
FC(F)(F)[C@@H](Cl)Sc1ccccc1NCc1ccco1	770514787	ZYWYFUIZBNMLPB-LBPRGKRZSA-N	321.751	5.111	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2cccc(OC3CCCC3)c2)sc1C	741468932	YSIRRZFCEHLBPN-YBEGLDIGSA-N	324.449	5.146	50	20	DKGD	
N#C/C(=C/c1ccccc1C(F)(F)F)c1nccc2ccccc12	790226789	BFCDQVDZSFWRIB-PTNGSMBKSA-N	324.305	5.318	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2cccc(Cl)c2F)n1	759645442	XXRMMNNDOIHIMG-WDZFZDKYSA-N	306.793	5.123	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2ccccc2OC2CCCC2)sc1C	741467025	JLCFJWHPTXPTLL-LFIBNONCSA-N	324.449	5.146	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCCC[C@H]2CCO2)c1	877368359	QEQPQUNYNAPENF-NSHDSACASA-N	317.323	5.325	50	20	DKGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc4ccccc4c3)[nH]c12	735620339	XLKVXHMSZFXZSL-PDGQHHTCSA-N	309.372	5.089	50	20	DKGD	
CS[C@H](C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	191946181	YXBJCTHCYMEOLP-SSDOTTSWSA-N	321.336	5.034	50	20	DKGD	
Cc1ccc(C)c(/C=C(/C#N)c2nc3cc(F)ccc3s2)c1	730148240	COSGESADVQYROY-ZSOIEALJSA-N	308.381	5.116	50	20	DKGD	
CCc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc1	730148360	FHGIJKJMBXLSIZ-NTEUORMPSA-N	308.381	5.062	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)o1	915841798	HTSNOEVVTTYTIM-BENRWUELSA-N	313.784	5.122	50	20	DKGD	
CC(/C=C(/C#N)c1nc2ccccc2[nH]1)=C\c1ccc(Cl)cc1	753714230	MCAJYWUTZWMTGI-RJSPBKBSSA-N	319.795	5.227	50	20	DKGD	
CCC[C@@H](C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762518009	HLPITCLAKFBPAI-SECBINFHSA-N	317.323	5.719	50	20	DKGD	
C[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccncc1	762791567	YAPBISXTZLJSPA-JTQLQIEISA-N	324.318	5.912	50	20	DKGD	
C/C=C/C=C/C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	180335280	RWUAYBJLJXQERE-MQQKCMAXSA-N	313.291	5.415	50	20	DKGD	
Cc1cccc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)c1	810251675	UZZVLUODPADJSC-SDQBBNPISA-N	322.717	5.126	50	20	DKGD	
Cc1ccsc1/C=C(\C#N)C(=O)c1cc2ccccc2s1	788328417	NXMZPNZBEBTPCR-UKTHLTGXSA-N	309.415	5.061	50	20	DKGD	
C=CCCCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792548330	MATCECRMLYDPFD-UHFFFAOYSA-N	315.307	5.639	50	20	DKGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCC(C)(C)C	748670407	UCJGAUHUXLAWCM-UHFFFAOYSA-N	318.486	5.149	50	20	DKGD	
N#C/C(=C\c1cnc(C2CCC2)s1)c1ccc2ccccc2n1	760263444	NVVWKQGFZNIUFH-XNTDXEJSSA-N	317.417	5.023	50	20	DKGD	
COCC(C)(C)CNc1ccc(S(F)(F)(F)(F)F)cc1	700624011	WLQWXBOACZFOJZ-UHFFFAOYSA-N	319.339	5.429	50	20	DKGD	
CC(C)OC[C@@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	800264060	VDUNSZVRGBHBAE-SNVBAGLBSA-N	319.339	5.569	50	20	DKGD	
Cc1cc(/C=C(\C#N)c2ccc3ccccc3n2)cc2cccnc12	783708497	RNZTXQCSVOMMMP-CPNJWEJPSA-N	321.383	5.156	50	20	DKGD	
Cc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)cc2cccnc12	783711370	YBLFLYWPUOEKAG-CXUHLZMHSA-N	319.433	5.187	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2c(Cl)oc3ccccc23)sc1C	761206215	RYJNEAPGARPKRD-XFFZJAGNSA-N	314.797	5.224	50	20	DKGD	
CCc1cccc2c(/C=C(/C#N)c3ccc4ccccc4n3)c[nH]c12	917144759	NPRGPIOSJDBRDC-ATVHPVEESA-N	323.399	5.343	50	20	DKGD	
N#C/C(=C\c1ccsc1)c1nc2cc(Cl)ccc2s1	12907985	IUNWKXXMGUYGAN-BJMVGYQFSA-N	302.811	5.075	50	20	DKGD	
CCC(=CC(=O)Nc1c(CC)cc(SC#N)cc1CC)CC	759304660	WRRRIFHFWQEUDH-UHFFFAOYSA-N	316.470	5.069	50	20	DKGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)c1nccc2ccccc12	790228808	QXCMYTSQGFQOPN-PTNGSMBKSA-N	314.319	5.184	50	20	DKGD	
CC(=C/c1ccc(Cl)cc1)/C=C(\C#N)c1nc2ccccc2[nH]1	753714227	MCAJYWUTZWMTGI-KXIMDHCPSA-N	319.795	5.227	50	20	DKGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1cc(C)cc(C)c1	750913780	PSAGFZWACHAWAM-OGDOFCIQSA-N	301.389	5.040	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2c(F)cccc2Cl)n1	747440202	RNLPQOCVRYXVTP-UXBLZVDNSA-N	306.793	5.123	50	20	DKGD	
N#C/C(=C/c1cccc(CCl)c1)c1ccc2ccccc2n1	799890831	AJUQPIPFYMSTOM-BOPFTXTBSA-N	304.780	5.038	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2cccc(Cl)c2Cl)sc1C	741474010	LWNBTKIAWDEPES-WDZFZDKYSA-N	309.221	5.131	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2ccc(-c3ccccc3)o2)sc1C	741474110	NXQWCUOHVBQHKW-GDNBJRDFSA-N	306.390	5.084	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2csc3ccccc23)n1	747439073	DMXKMHQNDZCSAV-GHXNOFRVSA-N	310.447	5.545	50	20	DKGD	
N#C/C(=C\c1ccc(Cl)cc1F)c1nc2ccccc2s1	782197257	GRPPUGVQLUKYQL-YRNVUSSQSA-N	314.772	5.153	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(-c2cccs2)c1	726427885	AHKPMDHDRHCDJB-CJAAZZPWSA-N	313.397	5.076	50	20	DKGD	
CSc1ccc(/C=C(\C#N)c2nccc3ccccc23)cc1	790227501	KGUPPJYRHYZAQT-FOWTUZBSSA-N	302.402	5.021	50	20	DKGD	
CCN(C(=O)CCCC[C@@H]1CCSS1)c1ccc(C)cc1	914760679	DEULPAGOACMARH-MRXNPFEDSA-N	323.527	5.062	50	20	DKGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	917518070	SLZAOMZJRMLBFL-RVDMUPIBSA-N	319.385	5.106	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)cc2Cl)s1	729822945	FBWKOSIJEPJKBA-WDZFZDKYSA-N	322.216	5.153	50	20	DKGD	
CC(C)(C)c1ccc(/C=C(\C#N)c2cnc3ccccc3n2)s1	790231034	JHDCJIGDVAMUJX-JLHYYAGUSA-N	319.433	5.053	50	20	DKGD	
CC(=C/c1ccc(Cl)cc1)/C=C(/C#N)c1nc(C)cs1	797405158	NDEVMBRDIZJKQP-DJNBAJBSSA-N	300.814	5.115	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)s1	726430175	XQLPYWJQOSYOFY-XTCQQWIJSA-N	313.397	5.076	50	20	DKGD	
CCCN(N=C[C@@H](C)c1cccc(Cl)c1)C(=O)OC(C)(C)C	794998719	USQZXADRCLAQAG-CYBMUJFWSA-N	324.852	5.076	50	20	DKGD	
O=C(C=C1CCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	191946866	MHABOXKURXJWLV-UHFFFAOYSA-N	313.291	5.393	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(F)cc2Cl)n1	767715519	WZVLBEIGOQWNIN-WZUFQYTHSA-N	306.793	5.123	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(Cl)s2)s1	797399854	XADJMJXJJBWDQH-RMKNXTFCSA-N	308.859	5.220	50	20	DKGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CC(C)(C)CC	748669575	JQVIGIOLNRTOHO-UHFFFAOYSA-N	318.486	5.149	50	20	DKGD	
CC(=C/c1cccc(C(F)(F)F)c1)/C=C(\C#N)c1ccccn1	806568782	BMVPAXIKYBRLBG-AYMWWVTDSA-N	314.310	5.111	50	20	DKGD	
CC1(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CCC1	792548036	FFLRXGLVXUOFDQ-UHFFFAOYSA-N	315.307	5.473	50	20	DKGD	
N#C/C(=C\c1sc2ccccc2c1Cl)C(=O)c1ccccc1	744834099	FLCIMNMSXAFKJS-JLHYYAGUSA-N	323.804	5.345	50	20	DKGD	
Cc1csc(/C(C#N)=C\c2ccc(-c3cccc(F)c3C)o2)n1	115522273	GOUHFNFSDXRZSH-JYRVWZFOSA-N	324.380	5.223	50	20	DKGD	
CC(C)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184407428	DNZASPRUGRKKRP-UHFFFAOYSA-N	318.311	5.122	50	20	DKGD	
N#C/C(=C/c1ccc(Cl)s1)c1nc2ccccc2s1	209884264	FQNVHVBLUZXIBM-CLFYSBASSA-N	302.811	5.075	50	20	DKGD	
CCc1cccc2c(/C=C(/C#N)c3nc(C4CC4)cs3)c[nH]c12	843263726	DRTCEBOFQHQQBY-ZSOIEALJSA-N	319.433	5.128	50	20	DKGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)s1)c1ccccn1	302776252	RYVYDZOZDAXFIS-SDNWHVSQSA-N	322.820	5.528	50	20	DKGD	
CCc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)o1	760212638	ZJDYOSQVSDGXTK-GXDHUFHOSA-N	306.390	5.030	50	20	DKGD	
CC(C)[C@@H](C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792548377	OILIJNRGTOXCIO-SECBINFHSA-N	317.323	5.575	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(Cl)cccc2Cl)s1	729823137	KDPNSXRARDYWDO-JXMROGBWSA-N	322.216	5.153	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(Cl)cc2)s1	797400037	ZSDKVIRUPKKGPQ-WQLSENKSSA-N	302.830	5.158	50	20	DKGD	
N#C/C(=C\c1cnc(C2CCC2)s1)c1nccc2ccccc12	790229034	VRYJXNAKOJPQCQ-XNTDXEJSSA-N	317.417	5.023	50	20	DKGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1CC12CC2	817442655	FGQAOUGTPKXULJ-JTQLQIEISA-N	313.291	5.083	50	20	DKGD	
Cc1cc(CNc2cccc(S(F)(F)(F)(F)F)c2)no1	186149086	JKLWAXRYMXCYRR-UHFFFAOYSA-N	314.279	5.253	50	20	DKGD	
Cc1cc(Cl)ccc1/C=C(\C#N)c1nc(C(C)C)cs1	767352114	OKEPMKFWIAMKIB-NTUHNPAUSA-N	302.830	5.293	50	20	DKGD	
FS(F)(F)(F)(F)c1ccc(NCc2cccnc2)cc1	689645481	SRHZKQKRJXJZTP-UHFFFAOYSA-N	310.291	5.351	50	20	DKGD	
CC1(C)OCC[C@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	690176656	YZUPOHBRLHGITJ-LLVKDONJSA-N	317.323	5.323	50	20	DKGD	
Cc1cc(F)ccc1/C=C(\C#N)c1nc(-c2ccccc2)cs1	750891996	CQTZIWIEFHPHQC-MHWRWJLKSA-N	320.392	5.322	50	20	DKGD	
N#C/C(=C\c1ccc(Cl)cc1F)c1ccc2ccccc2n1	782198991	AHELEDGWPYORFM-NTEUORMPSA-N	308.743	5.091	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc3cnccc3c2)s1	797399473	SIYNAPXQFJBGHL-CXUHLZMHSA-N	319.433	5.053	50	20	DKGD	
CC(C)(C#N)CCNc1cccc(S(F)(F)(F)(F)F)c1	288638609	CEZSNLZQBAVSHA-UHFFFAOYSA-N	314.323	5.696	50	20	DKGD	
FS(F)(F)(F)(F)c1ccc(NCc2cccs2)cc1	689645518	VFWDBYGGPFTHSP-UHFFFAOYSA-N	315.332	6.018	50	20	DKGD	
CC(=C/c1ccccc1C(F)(F)F)/C=C(/C#N)c1ccccn1	799889756	SAINWMRYZNWWFU-BDXDCFHCSA-N	314.310	5.111	50	20	DKGD	
CC(C)(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186080684	FDZQGNUVDONZSH-UHFFFAOYSA-N	303.296	5.329	50	20	DKGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)c1cccc(Cl)c1	794873915	CVOQBGIEHPKHIP-ZSOIEALJSA-N	317.722	5.067	50	20	DKGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)c1nccc2ccccc12	790228533	OYPHLDBEYWYNLE-ZROIWOOFSA-N	308.743	5.091	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2cc(-c3ccccc3)cs2)sc1C	741475148	VQDQFNMMRQZISS-NVNXTCNLSA-N	322.458	5.553	50	20	DKGD	
Cc1ccc(-c2ccc(/C=C(/C#N)c3nc(C)cs3)o2)cc1	797404224	BPDUBNLLZXGVEB-DHDCSXOGSA-N	306.390	5.084	50	20	DKGD	
C[C@@H]1COCC[C@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	192731015	YDQPMOAASZIZRQ-BXKDBHETSA-N	317.323	5.181	50	20	DKGD	
COCCCCNc1cccc(S(F)(F)(F)(F)F)c1	186146885	FWZVDGRKJHCLNZ-UHFFFAOYSA-N	305.312	5.183	50	20	DKGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2scnc2C)cc1	849178565	FNJIMBWJYLRKGM-MHWRWJLKSA-N	324.449	5.031	50	20	DKGD	
CC(C)OCCNc1cccc(S(F)(F)(F)(F)F)c1	186152511	WAIPVFSRFTYAKI-UHFFFAOYSA-N	305.312	5.181	50	20	DKGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cnc(C(C)C)s2)cc1	758414949	FUQAGEICYJOZEU-MHWRWJLKSA-N	324.449	5.009	50	20	DKGD	
Cc1cc(/C=C(/C#N)c2nc(C3CC3)cs2)ccc1Cl	843263776	FICAICNCFWWKSJ-QPEQYQDCSA-N	300.814	5.047	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C\c2csc3ccccc23)s1	729819891	HFTNZKFGLMYCNI-WQLSENKSSA-N	309.415	5.061	50	20	DKGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)c1ccc2ccccc2n1	741844803	UAIZEFKWIAZRJL-PTNGSMBKSA-N	314.319	5.184	50	20	DKGD	
Cc1csc(/C(C#N)=C\c2sc3ccccc3c2Cl)n1	744868908	JBPFWZVCERUAMX-POHAHGRESA-N	316.838	5.384	50	20	DKGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)c1nc(C2CC2)cs1	843263633	CPNGUXGASTURGE-SDQBBNPISA-N	320.339	5.103	50	20	DKGD	
N#C/C(=C/c1cc(Cl)cs1)c1nc2ccccc2s1	779221080	MOHCGVFWBZMJQC-UITAMQMPSA-N	302.811	5.075	50	20	DKGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)c1ccc(Cl)s1	783688092	UTUDOAPFLHIILM-LCYFTJDESA-N	313.809	5.069	50	20	DKGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)o1	797399973	YOAXBNSTZRSWPL-MYUVLUJPSA-N	312.438	5.221	50	20	DKGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CCC1	180333281	GADYQNYAOHDMPX-UHFFFAOYSA-N	301.280	5.083	50	20	DKGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccccc1	186045172	TYXMMPYZOFXDIZ-UHFFFAOYSA-N	323.286	5.596	50	20	DKGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)c1ccc2ccccc2n1	741844805	UAIZEFKWIAZRJL-RVDMUPIBSA-N	314.319	5.184	50	20	DKGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)c1nc(C2CC2)cs1	843264473	IMHKHRHGTVVNQO-KPKJPENVSA-N	320.339	5.103	50	20	DKGD	
N#C/C(=C/c1cccc(F)c1F)c1nc(-c2ccccc2)cs1	78561286	SUPKJFOEAWWILF-ZROIWOOFSA-N	324.355	5.152	50	20	DKGD	
CC[C@@H](C)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181774629	MKRPBONUBUACHB-MRVPVSSYSA-N	318.311	5.264	50	20	DKGD	
C[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCOC1	184034354	IAMKIEXJAVBGQD-VHSXEESVSA-N	317.323	5.181	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)s1	729820447	RMGGLWSWYSUFJV-RVDMUPIBSA-N	319.385	5.106	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2ccc(Cl)cc2Cl)sc1C	741472496	ACKFCMHMBFKHRJ-WZUFQYTHSA-N	309.221	5.131	50	20	DKGD	
CCSc1cccc(/C=C(\C#N)c2nccc3ccccc23)c1	790229420	ZBKDKTBHIIVPFG-SFQUDFHCSA-N	316.429	5.411	50	20	DKGD	
N#C/C(=C\c1ccc(C(F)F)cc1)c1nc2ccccc2s1	794865409	IHZDKLSGAPGDCN-UKTHLTGXSA-N	312.344	5.298	50	20	DKGD	
Cc1ccc(C)c(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c1	7352488	WZXZNQLMYLHKBF-WOJGMQOQSA-N	316.429	5.491	50	20	DKGD	
CCCCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184427588	IDTXVXXRUZUBIV-UHFFFAOYSA-N	318.311	5.266	50	20	DKGD	
CCC1=C(Br)CC[C@H]1O[Si](C)(C)C(C)(C)C	1503999212	AHPKWIJQBVBLFE-GFCCVEGCSA-N	305.332	5.230	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1	726120024	IFIVMAZMJAMXEY-UVTDQMKNSA-N	313.784	5.122	50	20	DKGD	
Cc1cc(C)cc(-c2ccc(/C=C(/C#N)c3ccccn3)cc2)c1	741469849	XWAXXODQXJXRDS-STZFKDTASA-N	310.400	5.430	50	20	DKGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)c1nccc2ccccc12	790228109	MUCXWSDIXNEHBT-VGOFMYFVSA-N	308.743	5.091	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2sccc2Cl)s1	797399607	UQYRLSLWTQGULU-TWGQIWQCSA-N	308.859	5.220	50	20	DKGD	
O=C(CCC1CC1)Nc1cccc(S(F)(F)(F)(F)F)c1	762517189	BSPONBPWEKMQTP-UHFFFAOYSA-N	315.307	5.473	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2cnc(C(C)(C)C)s2)n1	176939858	OUICLLCGJNMEGG-IZZDOVSWSA-N	317.483	5.085	50	20	DKGD	
CC(C)(C)c1ncc(/C=C(\C#N)c2nccc3ccccc23)s1	790228815	RBNFTQQYFVRFIQ-GXDHUFHOSA-N	319.433	5.053	50	20	DKGD	
CC(C)[C@H](F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792547310	JSQVPJJKAMWRPQ-JTQLQIEISA-N	321.286	5.277	50	20	DKGD	
CC(C)OC[C@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	800264050	VDUNSZVRGBHBAE-JTQLQIEISA-N	319.339	5.569	50	20	DKGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1cccc(C)c1C	727653876	BAMFOZNRSJXATF-WAZQMIMHSA-N	301.389	5.040	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(-c2ccccc2C)c1	729644129	PMRRIYFAAKAETR-DQPIFXJKSA-N	303.405	5.184	50	20	DKGD	
Cc1cc(/C=C(\C#N)c2nccc3ccccc23)ccc1Cl	790229277	WSCROOPBEBPELJ-LFIBNONCSA-N	304.780	5.261	50	20	DKGD	
Cc1cc(C)c(/C=C(\C#N)c2nc3ccccc3s2)c(C)c1	6902597	MKSWEXVDHRIRPO-XNTDXEJSSA-N	304.418	5.286	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCCOC2CCC2)c1	701563229	LISBHZAIMTZRAY-UHFFFAOYSA-N	317.323	5.325	50	20	DKGD	
CC(=C/c1ccccc1)/C=C(/C#N)c1ncc(C(C)(C)C)s1	797405598	BIDMNTWULMZQSR-JBBFUIBGSA-N	308.450	5.451	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2cc(Cl)ccc2F)n1	753687782	RJKREFLAIWTTCN-VZUCSPMQSA-N	306.793	5.123	50	20	DKGD	
CCSc1cccc(/C=C(\C#N)c2ccc3ccccc3n2)c1	769742186	JJCYEOPIXLFYMZ-SFQUDFHCSA-N	316.429	5.411	50	20	DKGD	
N#C/C(=C/c1cccc2ccccc12)C(=O)c1cc2ccccc2o1	98042477	HCZNZVOLVOZHDX-PDGQHHTCSA-N	323.351	5.376	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCC[C@H]2CCOC2)c1	709659175	IITLPNJFPPLRDW-JTQLQIEISA-N	317.323	5.183	50	20	DKGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)c3ccoc3)s2)cc1	806557562	VXANPOBPOIMEIM-YBEGLDIGSA-N	319.385	5.106	50	20	DKGD	
OC1(CCNc2cccc(S(F)(F)(F)(F)F)c2)CCC1	709663570	CZSKRIRVUQWWFV-UHFFFAOYSA-N	317.323	5.061	50	20	DKGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)c1nccc2ccccc12	790227107	DSUVTLYIELYPDI-PTNGSMBKSA-N	324.305	5.318	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2ccc(-c3ccccc3F)o2)sc1C	741475308	XZFGUZVIIASUNF-LCYFTJDESA-N	324.380	5.223	50	20	DKGD	
CCC/C=C/C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762756627	CWZLSELOTUWPHJ-XBXARRHUSA-N	315.307	5.639	50	20	DKGD	
N#C/C(=C/c1cccc(Cl)c1F)c1nccc2ccccc12	790228440	NLEFSCVZFWQODJ-UVTDQMKNSA-N	308.743	5.091	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2ccccc2OCC2CC2)n1	747439269	IEKZKKYBXQPWQK-SXGWCWSVSA-N	324.449	5.119	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2ccc(-c3ccccc3)cc2)sc1C	741467236	LTDXMBIEKGGUQJ-UNOMPAQXSA-N	316.429	5.491	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	726429492	UNQZSHQMSASDJZ-IIMQCXAKSA-N	312.457	5.132	50	20	DKGD	
Cc1ccc(C)c(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c1	213534803	WZXZNQLMYLHKBF-WQRHYEAKSA-N	316.429	5.491	50	20	DKGD	
Cc1ncccc1CNc1cccc(S(F)(F)(F)(F)F)c1	186496645	RZLHLDDSALPHAY-UHFFFAOYSA-N	324.318	5.660	50	20	DKGD	
C=CCCOC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	759726622	FQUTUADVHGQIKH-UHFFFAOYSA-N	302.264	5.077	50	20	DKGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1csc(-c2ccc(C)cc2)n1	741474909	UDQDJEFRGYUPPV-KNGSKEOJSA-N	324.449	5.031	50	20	DKGD	
Cc1cccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c1	39494636	PLRAJCGSZCQNHE-BOPFTXTBSA-N	302.402	5.183	50	20	DKGD	
C[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CCCO1	690175618	QNRCKLAVZPMJSH-SKDRFNHKSA-N	317.323	5.323	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1sc2ccccc2c1Cl	726428747	PHLRXWQLCNQLPO-MXBGMFSPSA-N	303.814	5.077	50	20	DKGD	
CO[C@H](C)[C@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	273831700	GCUHZQSXQZXRIT-DTWKUNHWSA-N	305.312	5.179	50	20	DKGD	
CC(C)Oc1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1	44013831	MRXVZYQWPZBPPX-PTNGSMBKSA-N	320.417	5.148	50	20	DKGD	
CCN(CC)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184411252	QRCMLUMUTIEHTO-UHFFFAOYSA-N	318.311	5.218	50	20	DKGD	
Cc1csc(/C(C#N)=C\c2cccc(Oc3ccccc3)c2)n1	212767709	VOEKLWZDIMYITH-YBEGLDIGSA-N	318.401	5.308	50	20	DKGD	
OCCCCCCNc1cccc(S(F)(F)(F)(F)F)c1	690189130	LXNVLYNWFBXPDH-UHFFFAOYSA-N	319.339	5.309	50	20	DKGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(C(C)C)cc3)[nH]c12	735619256	LAOUEOMBXUFNFE-BOPFTXTBSA-N	301.393	5.059	50	20	DKGD	
N#C/C(=C/c1cc(Cl)ccc1F)c1nc2ccccc2s1	753682881	KBOGIXDQQVLGBA-XFFZJAGNSA-N	314.772	5.153	50	20	DKGD	
Cc1cc(C)c(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c(C)c1	812246642	QSGVPHTWTIWSTK-RIYZIHGNSA-N	316.326	5.090	50	20	DKGD	
COC[C@H](C)CNc1cccc(S(F)(F)(F)(F)F)c1	188487589	HMYLIHSPPPFNHO-SECBINFHSA-N	305.312	5.038	50	20	DKGD	
CCn1c2ccccc2c2cc(/C=C(/C#N)c3ccccn3)ccc21	23881586	HAFVUZAJVLPRNP-LGMDPLHJSA-N	323.399	5.274	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2ncc(C(C)(C)C)s2)n1	280428495	IWWGKRJIBNRPDN-IZZDOVSWSA-N	317.483	5.085	50	20	DKGD	
N#C/C(=C/c1ccc(-c2cccs2)cc1F)c1ccccn1	54801689	FNLMOTHNMRQGCC-GDNBJRDFSA-N	306.365	5.013	50	20	DKGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)s1)c1ccccn1	730571090	RYVYDZOZDAXFIS-KAMYIIQDSA-N	322.820	5.528	50	20	DKGD	
CC(C)Oc1cccc(/C=C(/C#N)c2nccc3ccccc23)c1	790228027	KAIMQZPWMAQAJF-PDGQHHTCSA-N	314.388	5.086	50	20	DKGD	
N#C/C(=C/c1ccc2occc2c1)c1nc2cc(F)ccc2s1	794691752	PIMHGFYXHKIFSB-JYRVWZFOSA-N	320.348	5.246	50	20	DKGD	
N#C/C(=C/C=C/c1ccc(F)c(F)c1)c1nccc2ccccc12	794713215	LNOKVIORLXASET-LSEBBHRZSA-N	318.326	5.133	50	20	DKGD	
N#C/C(=C\c1ccc(C(F)F)cc1)c1nccc2ccccc12	794942786	FPKAYRODFIFDJY-LFIBNONCSA-N	306.315	5.237	50	20	DKGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cnc(-c2ccc(C)cc2)s1	794953459	LHBPMUDGCWJHPA-XNTDXEJSSA-N	324.449	5.031	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cccc(Cl)c2F)s1	797398592	IVXSLLANXDMGQY-YRNVUSSQSA-N	320.820	5.297	50	20	DKGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(C(F)F)cc2)c1C	794875655	TZYSRWCBTGVQNA-YBEGLDIGSA-N	311.331	5.031	50	20	DKGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1ccc(Cl)s1	783715223	TYLUPBZALMNFNK-SPEXVAAVSA-N	313.809	5.138	50	20	DKGD	
N#C/C(=C\c1ccoc1)c1nc(-c2ccc(Cl)cc2)cs1	727435166	QMEREGDOKDRICZ-NTUHNPAUSA-N	312.781	5.121	50	20	DKGD	
N#C/C(=C/c1cccc(Cl)c1F)c1nc2ccccc2s1	759645419	XPRQCAAARJGCSF-FLIBITNWSA-N	314.772	5.153	50	20	DKGD	
C#CCCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	192174778	RVAOQBHBPHDMGV-UHFFFAOYSA-N	313.291	5.086	50	20	DKGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1cc(C)cc(C)c1	750913782	PSAGFZWACHAWAM-OOILLMMASA-N	301.389	5.040	50	20	DKGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cccc(Cl)c1Cl	915989871	GSPBAKRABVARKT-XFFZJAGNSA-N	322.216	5.153	50	20	DKGD	
C[C@@H]1C[C@@H](Nc2cccc(S(F)(F)(F)(F)F)c2)[C@@H](C)O1	690176189	UZTWQJPEIDHXNB-KBVBSXBZSA-N	317.323	5.322	50	20	DKGD	
Cc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc1C	730148470	HEYAKFRFIFZXQT-RIYZIHGNSA-N	308.381	5.116	50	20	DKGD	
N#C/C(=C\c1c(Cl)oc2ccccc12)c1ccc([N+](=O)[O-])cc1	761199917	HWJDJWZQVSRCCX-FMIVXFBMSA-N	324.723	5.059	50	20	DKGD	
N#C/C(=C\c1cccc2ccccc12)c1nccc2ccccc12	790228382	PHHYSOQPAAMVLK-XMHGGMMESA-N	306.368	5.452	50	20	DKGD	
CCCC[C@H](C)C(=O)Nc1c(CC)cc(SC#N)cc1CC	799872369	QEKJJAWBHVDPPI-ZDUSSCGKSA-N	318.486	5.149	50	20	DKGD	
CCCCc1oc2ccccc2c1/C=C(/C#N)c1ccccn1	917208385	DXPVVEODUPQFGO-SQFISAMPSA-N	302.377	5.235	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2c(Cl)cccc2Cl)sc1C	741474467	PDXLTQUUOQLWCR-UXBLZVDNSA-N	309.221	5.131	50	20	DKGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)c1cccc(Cl)c1	810218254	RFEBNXXRBNHEMM-WQRHYEAKSA-N	317.775	5.283	50	20	DKGD	
CSc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)s1	840721637	YPUSGGXKIDWRHE-JXMROGBWSA-N	320.508	5.288	50	20	DKGD	
CC(C)CCC[C@H](C)NC(=O)CCCC[C@@H]1CCSS1	849368230	UTZGOVIBRYLEII-LSDHHAIUSA-N	317.564	5.032	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2cnc(C3CCC3)s2)n1	760212118	UMKULHUBKGISPL-SDQBBNPISA-N	315.467	5.055	50	20	DKGD	
N#C/C(=C\c1cc(Cl)cs1)c1nc2ccccc2s1	779221081	MOHCGVFWBZMJQC-WEVVVXLNSA-N	302.811	5.075	50	20	DKGD	
FS(F)(F)(F)(F)c1ccc(NCc2nccs2)cc1	709764158	ZYVKDBIHYMICNY-UHFFFAOYSA-N	316.320	5.413	50	20	DKGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)c1nc2ccccc2s1	755404494	MZUWIEGPRQLOHA-YRNVUSSQSA-N	314.772	5.153	50	20	DKGD	
Cc1ccc(-c2nc(CO[Si](C)(C)C(C)(C)C)cs2)cn1	864538344	STJQFNBMQTZLBO-UHFFFAOYSA-N	320.534	5.035	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCc2ccncc2)c1	186497099	HENLGDZTTMVIDL-UHFFFAOYSA-N	310.291	5.351	50	20	DKGD	
CC(=C/c1ccc(Cl)cc1)/C=C(/C#N)C(=O)c1ccsc1	753711365	JESVXNAZOMLZEK-FFYBSVHWSA-N	313.809	5.138	50	20	DKGD	
CC(C)c1noc(-c2ccc(S(F)(F)(F)(F)F)cc2)n1	761342646	VHZGSDXDHXBZEP-UHFFFAOYSA-N	314.279	5.517	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(Cl)nc2Cl)n1	761481940	ZJDKYUAIWCIRCS-BJMVGYQFSA-N	324.236	5.032	50	20	DKGD	
CCc1cccc(F)c1/C=C(/C#N)c1nc(C(C)C)cs1	794875209	OECWNYPURZZSPX-JYRVWZFOSA-N	300.402	5.032	50	20	DKGD	
Cc1ccccc1/C=C(\C#N)c1ncc(C(F)(F)F)cc1Cl	810250492	IZQYBDRCLZDMND-WUXMJOGZSA-N	322.717	5.126	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(F)c(Cl)c2)n1	755407559	XLCVNIXFRHGOGK-WZUFQYTHSA-N	306.793	5.123	50	20	DKGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)c1nccc2ccccc12	790228532	OYPHLDBEYWYNLE-NTEUORMPSA-N	308.743	5.091	50	20	DKGD	
N#C/C(=C/c1cccc(F)c1)c1nc(-c2ccccc2)cs1	108210205	QSZQJMDWCGSHBL-DHDCSXOGSA-N	306.365	5.013	50	20	DKGD	
C=CC[C@H](C)NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	759094504	ODHGLOIDJQFJEE-VIFPVBQESA-N	315.307	5.038	50	20	DKGD	
N#C/C(=C/c1ccc2ccccc2c1)c1ccc2ccccc2n1	917144462	LSYPCVXLELIZEE-ZHZULCJRSA-N	306.368	5.452	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2)s1	750900675	PFKUVTBMRXWXKV-JLHYYAGUSA-N	313.397	5.076	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/C=C/c2ccc(F)cc2F)n1	758062679	NUASXEHFFCRZLX-HJSZHNSDSA-N	316.376	5.165	50	20	DKGD	
CC(C)c1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1	812246892	VSAILFBAVPGKQT-OQLLNIDSSA-N	316.326	5.288	50	20	DKGD	
CC(C)Oc1ccccc1/C=C(/C#N)c1nc(C(C)C)cs1	255102979	MCVKTCICRAGRTL-DHDCSXOGSA-N	312.438	5.118	50	20	DKGD	
CS[C@H]1CC[C@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	822469694	CCYAHJWPWMODMP-MNOVXSKESA-N	319.364	5.650	50	20	DKGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1csc2ccccc12	915990068	JEYSHNYDNDJJGJ-WQLSENKSSA-N	309.415	5.061	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	726430757	WYPDTGLGUKIJNF-HLVNSREUSA-N	313.784	5.122	50	20	DKGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)c1nc2ccccc2s1	776721253	DAXKWCXOBAEMQG-WZUFQYTHSA-N	314.772	5.153	50	20	DKGD	
N#C/C(=C\c1ccc2ccccc2c1)C(=O)c1cccc(Cl)c1	810218253	RFEBNXXRBNHEMM-WOJGMQOQSA-N	317.775	5.283	50	20	DKGD	
CO[C@@H](CNc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	690202622	FUVYHKHQMIWPSY-LBPRGKRZSA-N	317.323	5.181	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2cccs2)cc1F	726429725	VOLMLCCDYIMVDS-DGGAMASNSA-N	313.397	5.076	50	20	DKGD	
C/C=C(/C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762519400	SYSLYSMZKLDERU-BAQGIRSFSA-N	301.280	5.249	50	20	DKGD	
N#C/C(=C\c1cc(Cl)ccc1F)c1nccc2ccccc12	790229146	YNJKNKNQXRRHOZ-NTEUORMPSA-N	308.743	5.091	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2)s1	726117879	FDUOZHWGOPQJTL-GXDHUFHOSA-N	313.397	5.076	50	20	DKGD	
CCCN(N=C[C@H](C)c1cccc(Cl)c1)C(=O)OC(C)(C)C	794998722	USQZXADRCLAQAG-ZDUSSCGKSA-N	324.852	5.076	50	20	DKGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc4ccccc4c3)[nH]c12	735620338	XLKVXHMSZFXZSL-LDADJPATSA-N	309.372	5.089	50	20	DKGD	
COCC(C)(C)CNc1cccc(S(F)(F)(F)(F)F)c1	700597832	NWQZKJFMDHZYSY-UHFFFAOYSA-N	319.339	5.429	50	20	DKGD	
N#C[C@@H]1CC[C@H](Nc2cccc(S(F)(F)(F)(F)F)c2)C1	799735232	XIODBSKCOHLZCI-KOLCDFICSA-N	312.307	5.448	50	20	DKGD	
CSc1ccccc1NCc1ccc(OCCCCl)cc1	811470382	YIBXZSJONHNDFH-UHFFFAOYSA-N	321.873	5.028	50	20	DKGD	
CC(C)CN(C)C(=O)c1ccc(S(F)(F)(F)(F)F)cc1	758933539	FZPJPCYJUCJSQW-UHFFFAOYSA-N	317.323	5.072	50	20	DKGD	
C[C@H](OC(=O)CCCC[C@H]1CCSS1)c1ccccc1	786589844	HWJZKDMFFRRCIK-ZFWWWQNUSA-N	310.484	5.005	50	20	DKGD	
CCCCCOc1ccc(/C=C(\C#N)c2nc(C)cs2)cc1	917044693	TZXMIAHLOAMCIY-LFIBNONCSA-N	312.438	5.085	50	20	DKGD	
CCCCCN(C(=O)CCCC[C@@H]1CCSS1)C(C)C	919987891	DNRNTKDNTBOSNG-OAHLLOKOSA-N	317.564	5.128	50	20	DKGD	
CS[C@H](C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186049971	RSKATZVGFROJKF-SSDOTTSWSA-N	321.336	5.034	50	20	DKGD	
N#C/C(=C\c1cccc(Cl)c1)c1nc2cc(F)ccc2s1	730151091	QPSAKDCBYWOLJH-IZZDOVSWSA-N	314.772	5.153	50	20	DKGD	
CSc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1	797406702	IWMBHVWKIKVAGQ-LCYFTJDESA-N	314.479	5.227	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCC[C@H]2CCCO2)c1	189679819	PBLJVVBEGUZUTQ-LLVKDONJSA-N	317.323	5.325	50	20	DKGD	
CCSc1cccc(/C=C(/C#N)c2ccc3ccccc3n2)c1	769742183	JJCYEOPIXLFYMZ-ATVHPVEESA-N	316.429	5.411	50	20	DKGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)s2)cc1	834717620	JXXVSHFOTWJZGN-UVTDQMKNSA-N	315.825	5.144	50	20	DKGD	
Cc1ccc(CNc2cccc(S(F)(F)(F)(F)F)c2)o1	186495052	SUFDFJPLSGAYMR-UHFFFAOYSA-N	313.291	5.858	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2ccccc2-c2ccccc2)sc1C	741474594	REWDHBXTAOPEIZ-LDADJPATSA-N	316.429	5.491	50	20	DKGD	
N#C/C(=C\c1cc(-c2ccccc2)cs1)C(=O)C1CCCC1	781555814	PQNLWLGMUGZNFA-MHWRWJLKSA-N	307.418	5.081	50	20	DKGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2csc3ccccc23)c1	918712947	DNMQMMSYHAWSKY-MHWRWJLKSA-N	317.413	5.308	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C/c1sc2ccccc2c1Cl	726119763	CWGKSUBFVOKNDI-DHZHZOJOSA-N	303.814	5.077	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2cccc3c2OC(C)(C)C3)n1	747441218	YWENCNZPDVSVCJ-OVCLIPMQSA-N	324.449	5.044	50	20	DKGD	
CCc1cccc(Cl)c1/C=C(\C#N)c1nc(C)c(C)s1	788731711	FESBNJOXKQDRMN-MDWZMJQESA-N	302.830	5.040	50	20	DKGD	
Cc1csc(/C(C#N)=C/c2ccc(-c3ccccc3)cc2)n1	8079406	KOHKLSALEZCSMK-WOJGMQOQSA-N	302.402	5.183	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCC2CCOCC2)c1	186149012	HRDBSVBTABSUNW-UHFFFAOYSA-N	317.323	5.183	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2)s1	729820012	JBRIKKXFCXIDEH-NYYWCZLTSA-N	322.216	5.153	50	20	DKGD	
N#C/C(=C\c1ccc(-c2ccccc2Cl)s1)c1ccccn1	22841248	XQASHWHXBWNISJ-ACCUITESSA-N	322.820	5.528	50	20	DKGD	
CSc1ccc(NCc2ccc(OCCCCl)cc2)cc1	811468432	QROZCOVMOKVGLM-UHFFFAOYSA-N	321.873	5.028	50	20	DKGD	
CCCN(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184410488	PFTDLJPNENAPBG-UHFFFAOYSA-N	318.311	5.218	50	20	DKGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(-c2ccccc2)cs1	741469614	MCHUPOHIEVFDDH-DWKHYPNZSA-N	309.434	5.327	50	20	DKGD	
O=C(CCC1CC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	792548383	OLYFMDGSQARWRV-UHFFFAOYSA-N	315.307	5.473	50	20	DKGD	
N#C/C(=C/c1ccc2occc2c1)c1nc2ccccc2s1	794687810	HFEIFBIMBJAGRU-UVTDQMKNSA-N	302.358	5.107	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2cccs2)cc1F	917517173	KBSMKTVBBHGSJA-ZROIWOOFSA-N	313.397	5.076	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(OCC3CC3)cc2)n1	790099351	FMGDNFDKXCGDGE-CXUHLZMHSA-N	324.449	5.119	50	20	DKGD	
C=C[C@@H](C)OC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	781577944	DJPVEEKVEGEOKO-MRVPVSSYSA-N	302.264	5.075	50	20	DKGD	
CCCOc1cccc(/C=C(\C#N)c2nc3ccccc3s2)c1	917144776	HVAIYQKTDMKJPF-RVDMUPIBSA-N	320.417	5.149	50	20	DKGD	
CCN(C(=O)CCCC[C@H]1CCSS1)c1ccccc1C	918618306	GQCOCODVIMWLAB-HNNXBMFYSA-N	323.527	5.062	50	20	DKGD	
CC(C)(C)c1ncc(/C=C(\C#N)c2ccc3ccccc3n2)s1	736434825	WFIIZFZHAFCUKS-GXDHUFHOSA-N	319.433	5.053	50	20	DKGD	
O=C(CC1CCC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	183390711	FMERYILEBDXLSF-UHFFFAOYSA-N	315.307	5.473	50	20	DKGD	
CCSc1cccc(/C=C(\C#N)c2nc(C(C)C)cs2)c1	769724478	IAMGLIKQGOZHNS-RIYZIHGNSA-N	314.479	5.443	50	20	DKGD	
CC(C)CC(CC(C)C)=NNC(=O)c1ccc2ccccc2c1	147171668	DBKWEHTZKGGYNH-UHFFFAOYSA-N	310.441	5.018	50	20	DKGD	
N#C/C(=C\c1ccc(F)cc1F)c1nc(-c2ccccc2)cs1	8120758	BQGLBDHPAXGVMZ-RIYZIHGNSA-N	324.355	5.152	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(-c3ccccc3)o2)s1	729820446	RMGGLWSWYSUFJV-PTNGSMBKSA-N	319.385	5.106	50	20	DKGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC=CC1	186057764	QRWWVZJREUSPAJ-UHFFFAOYSA-N	313.291	5.249	50	20	DKGD	
Cc1ccc(F)c(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c1	734981807	WUBCAHMWOJHAPZ-MHWRWJLKSA-N	320.392	5.322	50	20	DKGD	
Cc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(C)o1	767886798	LSVGLAWKKNKKPN-CXUHLZMHSA-N	306.390	5.084	50	20	DKGD	
CC(C)=CCNC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	791008534	ZEZFEWAJOWDPPW-UHFFFAOYSA-N	315.307	5.040	50	20	DKGD	
CCSc1cccc(/C=C(\C#N)c2nc(C3CC3)cs2)c1	843264028	GJSOWGSNJZXCAS-RIYZIHGNSA-N	312.463	5.197	50	20	DKGD	
CC1(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)CCC1	762517333	IYNCGPDQOOMKKY-UHFFFAOYSA-N	315.307	5.473	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1	726428356	KITNSQVJMSQFHY-YSKWHIJTSA-N	305.377	5.001	50	20	DKGD	
CS[C@@H]1CC[C@@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	822469698	CCYAHJWPWMODMP-WDEREUQCSA-N	319.364	5.650	50	20	DKGD	
Cc1ccsc1/C=C(/C#N)c1nc2cc(Cl)ccc2s1	912858890	JKDJLVWRWRNGLS-POHAHGRESA-N	316.838	5.384	50	20	DKGD	
COC[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	690175536	OUFOMIUCJHOQJO-GFCCVEGCSA-N	317.323	5.181	50	20	DKGD	
C[C@H]1C[C@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CS1	690237673	SEZBGBDHVJGBNN-WPRPVWTQSA-N	319.364	5.650	50	20	DKGD	
Cc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)cc1Cl	766290121	NPMOQIFFZYQBIA-MLPAPPSSSA-N	302.830	5.293	50	20	DKGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)c1ccc2ccccc2n1	917517443	FWQSBYQNYUDZSY-JXAWBTAJSA-N	322.367	5.559	50	20	DKGD	
CC(C)c1ccccc1NC(=O)CCCC[C@@H]1CCSS1	849614594	XZOJQXZUOVFEKL-CQSZACIVSA-N	323.527	5.463	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	726429494	UNQZSHQMSASDJZ-QCUKBLKESA-N	312.457	5.132	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cccc(CCl)c2)s1	799894407	UGWMGEUYOUCFEE-ZSOIEALJSA-N	316.857	5.244	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc3occc3c2)s1	794692154	SIFORELZSYPBDK-ZROIWOOFSA-N	308.406	5.251	50	20	DKGD	
CC(C)(C)c1cnc(/C=C(\C#N)c2ccc3ccccc3n2)s1	790602788	HCBZRXBOKHPPOW-GXDHUFHOSA-N	319.433	5.053	50	20	DKGD	
CSc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)s1	840721643	YPUSGGXKIDWRHE-YFHOEESVSA-N	320.508	5.288	50	20	DKGD	
CC1(NC(=O)c2ccc(S(F)(F)(F)(F)F)cc2)CCC1	759153503	ISWLRIXHKBPUKK-UHFFFAOYSA-N	315.307	5.016	50	20	DKGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccccc1-c1ccccc1	917519095	JHTYNDKIHQBDFP-AQTBWJFISA-N	313.356	5.045	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2ccc3c(c2)CC(C)(C)O3)n1	747437752	XDONATDBUAQLGW-NVNXTCNLSA-N	324.449	5.044	50	20	DKGD	
N#C/C(=C\c1cccc2ccccc12)C(=O)c1c[nH]c2ccccc12	16441470	HNQYNYHKJVLCER-SFQUDFHCSA-N	322.367	5.111	50	20	DKGD	
Cc1cc(F)ccc1/C=C(/C#N)c1nc(-c2ccccc2)cs1	750891999	CQTZIWIEFHPHQC-YBEGLDIGSA-N	320.392	5.322	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccccc2Cl)s1	797398170	FIJQDVZJJCAWGE-WQLSENKSSA-N	302.830	5.158	50	20	DKGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccccc1-c1ccccc1	917519096	JHTYNDKIHQBDFP-QGOAFFKASA-N	313.356	5.045	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)s1	726120236	NERFQZCMZIGTES-RAXLEYEMSA-N	313.397	5.076	50	20	DKGD	
CCCOc1cccc(/C=C(/C#N)c2nc3ccccc3s2)c1	169964130	HVAIYQKTDMKJPF-PTNGSMBKSA-N	320.417	5.149	50	20	DKGD	
CCc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)s1	731159845	XYJDPDPZXYCSPM-YFHOEESVSA-N	314.410	5.123	50	20	DKGD	
C=CCCCCCCCCCCCCCCCBr	138000192	ZYHHKNGHCWEDJR-UHFFFAOYSA-N	317.355	7.029	50	20	DKGD	
Cc1cc(C)cc(-c2ccc(/C=C(\C#N)c3ccccn3)cc2)c1	741469848	XWAXXODQXJXRDS-KGENOOAVSA-N	310.400	5.430	50	20	DKGD	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1C	59269922	OPQGVEXDQOLXGX-WOJGMQOQSA-N	316.429	5.491	50	20	DKGD	
Cc1cnc(CNc2cccc(S(F)(F)(F)(F)F)c2)o1	186145665	XLMPBFHYYKFEFA-UHFFFAOYSA-N	314.279	5.253	50	20	DKGD	
Cc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1Cl	843264819	KIRUFQVXSBWRBP-AWNIVKPZSA-N	300.814	5.047	50	20	DKGD	
CC[C@@H]1C[C@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CO1	688427781	KJNNHOAVXDSDQP-WDEREUQCSA-N	317.323	5.323	50	20	DKGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)cc1C	915986918	IYDBNJWQVYXRMH-GDNBJRDFSA-N	323.346	5.112	50	20	DKGD	
CC[C@@H](C)N(C)C(=O)c1ccc(S(F)(F)(F)(F)F)cc1	758933479	FOWCJGBYGATBJF-SECBINFHSA-N	317.323	5.215	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(-c2ccccc2C)c1	729644131	PMRRIYFAAKAETR-SJPXOZHESA-N	303.405	5.184	50	20	DKGD	
N#C/C(=C/c1c(Cl)oc2ccccc12)c1nc2ccccc2[nH]1	761180271	JWCKBDZOCCHELZ-LUAWRHEFSA-N	319.751	5.027	50	20	DKGD	
CCc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)s1	797397937	CHMBOGUMYISHLI-DHZHZOJOSA-N	302.468	5.129	50	20	DKGD	
Cc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)ccc1Cl	779704613	SZQKFPGNLPWYEQ-NTUHNPAUSA-N	302.830	5.293	50	20	DKGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)c3ccccc3)o2)cc1	915981523	RHPKFMNDVOQDGB-AQTBWJFISA-N	313.356	5.045	50	20	DKGD	
Cc1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)ccc1Cl	812247994	BHZGGDAWDQCLGW-GHXNOFRVSA-N	322.717	5.126	50	20	DKGD	
CC(C)CCC[C@@H](C)NC(=O)CCCC[C@@H]1CCSS1	849368229	UTZGOVIBRYLEII-HUUCEWRRSA-N	317.564	5.032	50	20	DKGD	
C[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccccn1	184034175	HIHSRJQMNYDKCT-JTQLQIEISA-N	324.318	5.912	50	20	DKGD	
CC(C)(F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	274000266	ZRCIXDQWLHJRJY-UHFFFAOYSA-N	307.259	5.031	50	20	DKGD	
N#C/C(=C/c1coc2ccccc12)c1nc2cc(F)ccc2s1	746520738	RUNZLYLCPUVMTH-XFFZJAGNSA-N	320.348	5.246	50	20	DKGD	
CC[C@@H](Cl)c1nc(O)c2c(-c3ccc(C)s3)csc2n1	43554214	UMWRFAZLKXWDTG-SECBINFHSA-N	324.858	5.124	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(-c2ccccc2C)c1	729644130	PMRRIYFAAKAETR-JPVKTXQWSA-N	303.405	5.184	50	20	DKGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)c1ccc2ccccc2n1	776720293	LRFJXNOHXFKTQK-VGOFMYFVSA-N	308.743	5.091	50	20	DKGD	
N#C/C(=C/c1cccc(Cl)c1F)c1ccc2ccccc2n1	759654007	YGUCASAVDPJDBN-UVTDQMKNSA-N	308.743	5.091	50	20	DKGD	
C=CC(C)(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	828505505	TWDQAEKZYGQOPY-UHFFFAOYSA-N	315.307	5.495	50	20	DKGD	
N#C/C(=C/c1ccc(Cl)cc1F)c1nccc2ccccc12	790227300	FTEIKMNNBCOABB-ZROIWOOFSA-N	308.743	5.091	50	20	DKGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)c1nccc2ccccc12	790229396	YOYQECUYFTYJTO-XNTDXEJSSA-N	324.305	5.318	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(N[C@@H]2CCSC2)c1	184034535	ZDWIPDAIVDQFDC-SECBINFHSA-N	305.337	5.261	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	726430758	WYPDTGLGUKIJNF-LQELWAHVSA-N	313.784	5.122	50	20	DKGD	
CCCCCC(=C\c1ccccc1)/C=C(/C#N)c1ccccn1	810194341	UFMMQVOYDORIBD-IBPVTIBFSA-N	302.421	5.652	50	20	DKGD	
Cc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)c(Cl)c1	844272260	VTFDYBICACLTCE-NTUHNPAUSA-N	300.814	5.047	50	20	DKGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)s1	14175698	NXXFGZVUNSVAPC-JLHYYAGUSA-N	313.397	5.076	50	20	DKGD	
N#C/C(=C\c1cccc(F)c1)c1nc(-c2ccccc2)cs1	7352433	QSZQJMDWCGSHBL-OQLLNIDSSA-N	306.365	5.013	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	726429477	UNQZSHQMSASDJZ-CRRKTRLDSA-N	312.457	5.132	50	20	DKGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2n1	917146470	NTONTZCVMRMYDK-RVDMUPIBSA-N	324.305	5.318	50	20	DKGD	
N#C/C(=C\c1cccc(Cl)c1F)c1nccc2ccccc12	790228438	NLEFSCVZFWQODJ-GXDHUFHOSA-N	308.743	5.091	50	20	DKGD	
Cc1cc(/C=C(/C#N)c2nc3ccccc3s2)c(C)n1C1CC1	96663153	SLFSOOXLRDMLFB-GDNBJRDFSA-N	319.433	5.114	50	20	DKGD	
Cc1cccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)c1	921138656	XOXJZXGSLYISGP-MKMNVTDBSA-N	316.187	5.092	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)s1	729822943	FBWKOSIJEPJKBA-IZZDOVSWSA-N	322.216	5.153	50	20	DKGD	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3n2)cc2cccnc12	783708502	RNZTXQCSVOMMMP-UYRXBGFRSA-N	321.383	5.156	50	20	DKGD	
N#C/C(=C\c1ccc(F)c(-c2cccs2)c1)c1ccccn1	917561769	NBLWGYHPKJPZAZ-GXDHUFHOSA-N	306.365	5.013	50	20	DKGD	
N#C/C(=C/c1ccc2ccccc2c1)c1nc2ccccc2s1	33687015	SUYMOUNGAPZEOY-ATVHPVEESA-N	312.397	5.514	50	20	DKGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(-c2ccccc2)cs1	726118192	JSZMDFNOWCEMBX-MHWRWJLKSA-N	309.434	5.327	50	20	DKGD	
Cc1ccsc1/C=C(/C#N)C(=O)c1cc(Cl)cc(Cl)c1	921138457	MAVORGAVJNQZLN-WDZFZDKYSA-N	322.216	5.153	50	20	DKGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)s1)c1ccccn1	58536589	AGJXHQOZIUXGRK-KAMYIIQDSA-N	306.365	5.013	50	20	DKGD	
CC(C)=CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186080799	IHUFPFGJBKGSKY-UHFFFAOYSA-N	301.280	5.249	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cscc2Cl)s1	797398619	JGABRTBPFZAINQ-RUDMXATFSA-N	308.859	5.220	50	20	DKGD	
CC(/C=C(\C#N)c1ccccn1)=C\c1cccc(C(F)(F)F)c1	806568785	BMVPAXIKYBRLBG-XHWVFBAXSA-N	314.310	5.111	50	20	DKGD	
C[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccco1	709701996	SSRPRUVEXDGEHK-VIFPVBQESA-N	313.291	6.110	50	20	DKGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)s2)cc1	834717619	JXXVSHFOTWJZGN-GXDHUFHOSA-N	315.825	5.144	50	20	DKGD	
N#C/C(=C/c1cscc1Cl)c1nc2ccccc2s1	771839879	IMJPDFDNYBCQDO-UITAMQMPSA-N	302.811	5.075	50	20	DKGD	
CCCOc1cccc(/C=C(\C#N)c2ccc3ccccc3n2)c1	917144331	GCVFULFJUDXEEB-QGOAFFKASA-N	314.388	5.088	50	20	DKGD	
C=CCOc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1	797399524	SZSVGCDIOGCNLU-PTNGSMBKSA-N	324.449	5.070	50	20	DKGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)c1ccc(C)s1	729819963	IXFQDXOTZSCMQO-JLHYYAGUSA-N	321.401	5.155	50	20	DKGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1cc2ccccc2o1	744859564	VIVRJFLIGXUCEB-DARJFKRNSA-N	313.356	5.169	50	20	DKGD	
CC(C)(C)[Si](C)(C)OCC1CCN(c2ccccc2F)CC1	328579494	LHUSPHKABAKPHY-UHFFFAOYSA-N	323.528	5.064	50	20	DKGD	
C=CCCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762517505	AOBNRMZUDBXYIY-UHFFFAOYSA-N	315.307	5.639	50	20	DKGD	
N#C/C(=C\c1ccc(F)c(F)c1)c1nc(-c2ccccc2)cs1	7352473	TYEPYAHLMFCHQC-RIYZIHGNSA-N	324.355	5.152	50	20	DKGD	
CC(C)CC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	180332125	SIENIKPQYDEYIQ-UHFFFAOYSA-N	303.296	5.329	50	20	DKGD	
N#C/C(=C\c1ccc(Cl)cc1)c1nc2cc(F)ccc2s1	730151369	UCMFBMDGZBREIB-YRNVUSSQSA-N	314.772	5.153	50	20	DKGD	
CC(C)NC(=S)Nc1cccc(S(F)(F)(F)(F)F)c1	690182549	ASDOLFUDSQQUJI-UHFFFAOYSA-N	320.352	5.039	50	20	DKGD	
CCC[C@H](C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	753627212	VMVDJJHCOONWBN-VIFPVBQESA-N	317.323	5.719	50	20	DKGD	
CCc1cccc(Cl)c1/C=C(/C#N)c1nc(C)c(C)s1	788731706	FESBNJOXKQDRMN-JYRVWZFOSA-N	302.830	5.040	50	20	DKGD	
Cc1ccc(/C=C(/C#N)c2ncc(C(F)(F)F)cc2Cl)cc1	810250449	ICNBMGISGAGLEN-SDQBBNPISA-N	322.717	5.126	50	20	DKGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)CC(C)C	764979096	JZYOPDHUBBRTNO-ZDUSSCGKSA-N	318.486	5.005	50	20	DKGD	
Cc1cc(Cl)ccc1/C=C(/C#N)c1nc(C(C)C)cs1	767352122	OKEPMKFWIAMKIB-QPEQYQDCSA-N	302.830	5.293	50	20	DKGD	
CC[C@H](Cl)c1nc(O)c2c(-c3ccc(C)s3)csc2n1	43554211	UMWRFAZLKXWDTG-VIFPVBQESA-N	324.858	5.124	50	20	DKGD	
CC(C)=CC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	183389481	VABBIOMQYJLJDY-UHFFFAOYSA-N	301.280	5.249	50	20	DKGD	
C[C@@H]1CSC[C@@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	690237719	TUWRSLADFDQNTG-KCJUWKMLSA-N	319.364	5.507	50	20	DKGD	
FC(F)(F)[C@H](Cl)Sc1ccccc1NCc1ccco1	770514786	ZYWYFUIZBNMLPB-GFCCVEGCSA-N	321.751	5.111	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(F)c(-c2cccs2)c1	726118336	MFUCGXKYSFMZOM-NTEUORMPSA-N	313.397	5.076	50	20	DKGD	
CCN(C(=O)CCCC[C@@H]1CCSS1)c1cccc(C)c1	914757672	AMQJPAFXCVRWBW-MRXNPFEDSA-N	323.527	5.062	50	20	DKGD	
Cc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)c(Cl)c1	844272261	VTFDYBICACLTCE-QPEQYQDCSA-N	300.814	5.047	50	20	DKGD	
CCC(CC)C(=O)/C(C#N)=C\c1csc(-c2ccc(C)cc2)n1	726118842	RJJQGBGLGBUOAR-YBEGLDIGSA-N	324.449	5.031	50	20	DKGD	
N#C/C(=C/c1ccccc1F)c1nc(-c2ccccc2)cs1	33394136	NBNVOGKGMGLPRF-GDNBJRDFSA-N	306.365	5.013	50	20	DKGD	
CC[C@H](C)CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	790893607	SLMMNISAIKVWLZ-VIFPVBQESA-N	317.323	5.719	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccsc2Cl)s1	797399560	UFPLBNBLPFFDGP-POHAHGRESA-N	308.859	5.220	50	20	DKGD	
CC(C)Oc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1	917145270	XFPVGXNSVGOEDF-AQTBWJFISA-N	314.388	5.086	50	20	DKGD	
N#C/C(=C/c1cccc(F)c1)c1nc2cc(Cl)ccc2s1	40059723	FIGPWKFENQKHNR-WDZFZDKYSA-N	314.772	5.153	50	20	DKGD	
CC(/C=C(/C#N)C(=O)c1cccc(C)c1C)=C\c1ccccc1	727653873	BAMFOZNRSJXATF-JGEPBQDUSA-N	301.389	5.040	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2cccc(Cl)c2Cl)sc1C	741474008	LWNBTKIAWDEPES-IZZDOVSWSA-N	309.221	5.131	50	20	DKGD	
Cc1cccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c1	7352464	PLRAJCGSZCQNHE-GZTJUZNOSA-N	302.402	5.183	50	20	DKGD	
CS/C=C/C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762517746	JTZLHAVZNAXRTQ-AATRIKPKSA-N	319.320	5.159	50	20	DKGD	
C/C=C(\CC)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792548598	TXEVBKAIINFFJJ-YCRREMRBSA-N	315.307	5.639	50	20	DKGD	
CC(=C\c1cccc(C(F)(F)F)c1)/C=C(/C#N)c1ccccn1	806568783	BMVPAXIKYBRLBG-IJYCUAFPSA-N	314.310	5.111	50	20	DKGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1CC12CC2	817442664	FGQAOUGTPKXULJ-SNVBAGLBSA-N	313.291	5.083	50	20	DKGD	
Cc1ccc(/C=C(/C#N)c2nccc3ccccc23)cc1Cl	766491337	OBKXHRFTANMBKJ-YBEGLDIGSA-N	304.780	5.261	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCCC[C@@H]2CCO2)c1	877368352	QEQPQUNYNAPENF-LLVKDONJSA-N	317.323	5.325	50	20	DKGD	
CCc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)s1	731157143	SJVWBAPEEJXYOH-GXDHUFHOSA-N	322.458	5.498	50	20	DKGD	
CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)CC2CCC2)cc1	725326778	VLVIQNUQQOUCRD-UHFFFAOYSA-N	304.506	5.444	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)c1Cl	726119809	DPRNGSCYPMFZFF-RMKNXTFCSA-N	316.615	5.169	50	20	DKGD	
CC(C)(C)CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762519509	CZTXHVBOGCCGAP-UHFFFAOYSA-N	317.323	5.719	50	20	DKGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)c1nc2ccccc2s1	755404481	MZUWIEGPRQLOHA-XFFZJAGNSA-N	314.772	5.153	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(F)c3cccnc23)n1	759119402	ZDGFOFNMSMKSMJ-JYRVWZFOSA-N	323.396	5.018	50	20	DKGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)c1nc2ccccc2s1	741840476	WBEXZZMXMBQBNL-XFXZXTDPSA-N	320.348	5.246	50	20	DKGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1csc(-c2ccc(C)cc2)n1	794875763	YYBQSYMCLSPRCC-XNTDXEJSSA-N	324.449	5.031	50	20	DKGD	
Cc1ccc(/C=C(/C#N)c2nc3cc(Cl)ccc3s2)s1	96998119	PAIJNHAPERLZBW-POHAHGRESA-N	316.838	5.384	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(C(F)(F)F)cc2)n1	747437946	YTSHFCNAIBJORS-KPKJPENVSA-N	322.355	5.349	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2ccccc2OCC2CC2)n1	747439266	IEKZKKYBXQPWQK-CXUHLZMHSA-N	324.449	5.119	50	20	DKGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1	180335535	HVJKWIBYMQJZMR-UHFFFAOYSA-N	323.286	5.596	50	20	DKGD	
N#C/C(=C/C=C/c1ccccc1)c1nc2ccccc2n1C(F)F	194596045	HQVZEEUNIBXSEM-ZLRVCTSNSA-N	321.330	5.052	50	20	DKGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c(C)c1	39494638	DBRDFJPMVKLTOB-WQRHYEAKSA-N	316.429	5.491	50	20	DKGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)c2nc3ccccc3s2)o1	16967971	UTHQANSWNSMMAC-PHUCXXSHSA-N	306.390	5.077	50	20	DKGD	
CC(C)(C)CC(C)(C)NC(=O)CCCC[C@@H]1CCSS1	913164549	WXJWWXDKBOESBJ-CYBMUJFWSA-N	317.564	5.032	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCc2cccs2)c1	186495002	UOVMVBUZFVQBNY-UHFFFAOYSA-N	315.332	6.018	50	20	DKGD	
CCCCOc1ccccc1/C=C(/C#N)c1nc(C)c(C)s1	767359968	JIMJYYLSQCAHGR-WJDWOHSUSA-N	312.438	5.003	50	20	DKGD	
Cc1ccc(CNc2cccc(S(F)(F)(F)(F)F)c2)nc1	762568985	PBDZNXOIXHKKJY-UHFFFAOYSA-N	324.318	5.660	50	20	DKGD	
CC(C)(C)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184406603	YQKGAOWSDRZGQS-UHFFFAOYSA-N	318.311	5.264	50	20	DKGD	
FS(F)(F)(F)(F)c1ccc(NC2CCCCC2)cc1	689640033	JAEZHGAHSVVOHV-UHFFFAOYSA-N	301.324	6.089	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2cccc(Cl)c2F)n1	759645439	XXRMMNNDOIHIMG-IZZDOVSWSA-N	306.793	5.123	50	20	DKGD	
N#C/C(=C\c1cc(Cl)cs1)c1nc2cc(F)ccc2s1	780004183	HMTBDGMUULIRBG-FPYGCLRLSA-N	320.801	5.214	50	20	DKGD	
N#C/C(=C\c1cc2ccccc2o1)c1nc2cc(F)ccc2s1	730149811	ZLZYYUKDUFADDT-XYOKQWHBSA-N	320.348	5.246	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NC[C@@H]2CCSC2)c1	690227710	CIIMZQGDSBGKKI-VIFPVBQESA-N	319.364	5.509	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2c(Cl)cccc2Cl)sc1C	741474465	PDXLTQUUOQLWCR-POHAHGRESA-N	309.221	5.131	50	20	DKGD	
CC(C)(C)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181778142	XNKKADXICDCEOF-UHFFFAOYSA-N	318.311	5.264	50	20	DKGD	
CCC[C@H](C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762518010	HLPITCLAKFBPAI-VIFPVBQESA-N	317.323	5.719	50	20	DKGD	
CCCCCC(=C/c1ccccc1)/C=C(\C#N)c1ccccn1	810194343	UFMMQVOYDORIBD-VBGLAJCLSA-N	302.421	5.652	50	20	DKGD	
CSCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186082985	QOJDIESUDPXJHW-UHFFFAOYSA-N	321.336	5.036	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2ccccc2OC2CCCC2)sc1C	741467026	JLCFJWHPTXPTLL-WJDWOHSUSA-N	324.449	5.146	50	20	DKGD	
N#C/C(=C/c1c(Cl)oc2ccccc12)c1ccc([N+](=O)[O-])cc1	761199919	HWJDJWZQVSRCCX-XFXZXTDPSA-N	324.723	5.059	50	20	DKGD	
CC(C)Oc1cccc(/C=C(\C#N)c2nc3ccccc3s2)c1	921262621	VWIUTTMVDWVRRC-XNTDXEJSSA-N	320.417	5.148	50	20	DKGD	
CCc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc1	33394147	FZXURKAMUTTWSK-PDGQHHTCSA-N	316.429	5.437	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(Cl)cc2F)n1	782197691	VSXMVJJKXQDQFQ-WZUFQYTHSA-N	306.793	5.123	50	20	DKGD	
N#C/C(=C\c1cccc(Cl)c1F)c1ccc2ccccc2n1	759654006	YGUCASAVDPJDBN-GXDHUFHOSA-N	308.743	5.091	50	20	DKGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)c1ccc(Cl)s1	794874908	KWOMAXMMIIMUNM-XFFZJAGNSA-N	323.751	5.129	50	20	DKGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC=CC1	183389976	GEKFDBVJGZSCRI-UHFFFAOYSA-N	313.291	5.249	50	20	DKGD	
CC(C)c1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc1	730148486	HHVHXLUAOLDNJZ-DHDCSXOGSA-N	322.408	5.623	50	20	DKGD	
N#C/C(=C/c1c(F)cccc1Cl)c1nc2ccccc2s1	12340287	GKUGGDAFLQBURJ-NTMALXAHSA-N	314.772	5.153	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2ccccc2-c2ccccc2)sc1C	741474595	REWDHBXTAOPEIZ-PDGQHHTCSA-N	316.429	5.491	50	20	DKGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)[C@H](C)CC	779774783	LXWJUINTUNMLPS-OLZOCXBDSA-N	318.486	5.005	50	20	DKGD	
CC1(C)OCC[C@@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	690176657	YZUPOHBRLHGITJ-NSHDSACASA-N	317.323	5.323	50	20	DKGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(Oc2ccccc2)c1	726428354	KITNSQVJMSQFHY-UHVIJJLKSA-N	305.377	5.001	50	20	DKGD	
N#C/C(=C/C=C\c1ccc(F)c(F)c1)c1nc2ccccc2s1	794690901	MQMQVLGMSWQANZ-OFNQYZMLSA-N	324.355	5.195	50	20	DKGD	
C[C@@H]1C[C@@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	273908101	XCOLDUQOHBJIHF-KOLCDFICSA-N	317.323	5.323	50	20	DKGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)CC(C)C	764979095	JZYOPDHUBBRTNO-CYBMUJFWSA-N	318.486	5.005	50	20	DKGD	
Cc1cc(C)cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c1	730148241	CQBZBRPEPUUOBU-RIYZIHGNSA-N	308.381	5.116	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(Cl)cc2)s1	797400038	ZSDKVIRUPKKGPQ-XYOKQWHBSA-N	302.830	5.158	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc3ncccc3c2)s1	797405736	GOQFXDDNTIDDGB-GDNBJRDFSA-N	319.433	5.053	50	20	DKGD	
Cc1cc(/C=C(/C#N)c2ccccn2)c(C)n1C1CCCCC1	206144596	KIBDLTXRMFHOGG-AQTBWJFISA-N	305.425	5.069	50	20	DKGD	
Cc1cc(Cl)cc(C)c1/C=C(/C#N)c1nc(C)c(C)s1	776189805	KOHYBIKSOZYFNV-QPEQYQDCSA-N	302.830	5.094	50	20	DKGD	
CS[C@@H](C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	191946172	YXBJCTHCYMEOLP-ZETCQYMHSA-N	321.336	5.034	50	20	DKGD	
CC[C@H]1C[C@@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CO1	688427778	KJNNHOAVXDSDQP-MNOVXSKESA-N	317.323	5.323	50	20	DKGD	
Cc1cc2cc(/C=C(\C#N)c3nc(C)c(C)s3)oc2cc1C	749806441	CRYPFWZDLFYTIP-OVCLIPMQSA-N	308.406	5.187	50	20	DKGD	
N#C/C(=C\c1csc2ccccc12)c1ccc2ccccc2n1	917144265	DZSACCNQGGWKIV-RVDMUPIBSA-N	312.397	5.514	50	20	DKGD	
N#C/C(=C\c1c(F)cccc1F)c1nc(-c2ccccc2)cs1	8120771	MYMZVQOMVWMBON-UKTHLTGXSA-N	324.355	5.152	50	20	DKGD	
COC(C)(C)[C@@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	709659928	XLKAYGDCGORKFY-SECBINFHSA-N	319.339	5.569	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)sc1C	741472597	BZCIZLCHBYQYGK-ZROIWOOFSA-N	324.380	5.223	50	20	DKGD	
CC/C=C(\C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762517293	FQLVWOMDVHBAJR-WEVVVXLNSA-N	315.307	5.639	50	20	DKGD	
N#C/C(=C\c1ccc(F)cc1Cl)c1nc2ccccc2s1	767707817	SFSKCEDIYLVJNH-YRNVUSSQSA-N	314.772	5.153	50	20	DKGD	
CC(C)Oc1ccccc1/C=C(/C#N)c1nccc2ccccc12	790227137	DVBNGSLVXGINRX-AQTBWJFISA-N	314.388	5.086	50	20	DKGD	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(C)c1	7352482	DBRDFJPMVKLTOB-WOJGMQOQSA-N	316.429	5.491	50	20	DKGD	
N#C/C(=C/c1ccccc1F)c1nc2cc(Cl)ccc2s1	96998088	PTDGNEFDMBRMCB-XFFZJAGNSA-N	314.772	5.153	50	20	DKGD	
Cc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c(C)c1	730148646	IUCVHJAMMZEGSO-ZSOIEALJSA-N	308.381	5.116	50	20	DKGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1	33571534	KRZYWLUQFGPESL-BOPFTXTBSA-N	314.388	5.081	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccsc2Cl)s1	797399561	UFPLBNBLPFFDGP-UXBLZVDNSA-N	308.859	5.220	50	20	DKGD	
CC1(C)COC[C@@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	690183776	GZIHYYWZIKUAOR-NSHDSACASA-N	317.323	5.181	50	20	DKGD	
CC(C)Oc1cccc(/C=C(\C#N)c2nc(C(C)C)cs2)c1	176919300	DFVXOMXYENHRJA-OVCLIPMQSA-N	312.438	5.118	50	20	DKGD	
FS(F)(F)(F)(F)c1ccc(NCc2ccccc2)cc1	689643350	CMUVXRYFTNRRKD-UHFFFAOYSA-N	309.303	5.956	50	20	DKGD	
CCc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)o1	760212661	ZJDYOSQVSDGXTK-UVTDQMKNSA-N	306.390	5.030	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C\c2ccc3ccccc3c2)n1	747439313	IUKPRRGUPVLSAW-YVLHZVERSA-N	304.418	5.484	50	20	DKGD	
CCCN(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181783344	YAPUYQKWUSYAGC-UHFFFAOYSA-N	318.311	5.218	50	20	DKGD	
CC(=C\c1ccc(Cl)cc1)/C=C(\C#N)C(=O)c1ccsc1	753711369	JESVXNAZOMLZEK-NVXXTVOZSA-N	313.809	5.138	50	20	DKGD	
CCCCN(C(=O)CCCC[C@@H]1CCSS1)[C@@H](C)CC	732094602	JCFGAINDGWLFFG-LSDHHAIUSA-N	317.564	5.128	50	20	DKGD	
Cc1ccsc1/C=C(\C#N)C(=O)c1cc(Cl)cc(Cl)c1	921138456	MAVORGAVJNQZLN-IZZDOVSWSA-N	322.216	5.153	50	20	DKGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1	211206261	GLKBVZZQUMMKOB-UYRXBGFRSA-N	313.356	5.045	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(F)c(Cl)c2)n1	755407557	XLCVNIXFRHGOGK-VZUCSPMQSA-N	306.793	5.123	50	20	DKGD	
CC1(C)C[C@H]1C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792548351	MTBBJUJDPCBACH-JTQLQIEISA-N	315.307	5.329	50	20	DKGD	
FC1(F)CC(CNc2cccc(S(F)(F)(F)(F)F)c2)C1	690199665	KSGFUUVYXVBVNQ-UHFFFAOYSA-N	323.277	5.801	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C\c2csc(Cl)c2Cl)cc1	761385367	LVYAXIIDRBNIPU-WDZFZDKYSA-N	322.216	5.153	50	20	DKGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)c3ccoc3)s2)cc1	806557550	VXANPOBPOIMEIM-MHWRWJLKSA-N	319.385	5.106	50	20	DKGD	
ClCCCOc1ccc(CNc2ccc3occc3c2)cc1	864017349	HBSXIZCLNHDTNK-UHFFFAOYSA-N	315.800	5.053	50	20	DKGD	
CCCc1ccccc1NC(=O)CCCC[C@H]1CCSS1	914768676	RQGSDWOOKLDPQQ-HNNXBMFYSA-N	323.527	5.292	50	20	DKGD	
C[C@H]1C[C@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CCO1	273908100	XCOLDUQOHBJIHF-GXSJLCMTSA-N	317.323	5.323	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(Cl)cccc2Cl)s1	729823138	KDPNSXRARDYWDO-YFHOEESVSA-N	322.216	5.153	50	20	DKGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12	207895501	WOYRPTUZOWTLAT-PDGQHHTCSA-N	322.367	5.111	50	20	DKGD	
Cc1cc(C)c(NC(=O)CCCC[C@H]2CCSS2)c(C)c1	748533103	NNGWASPNZBKOEX-HNNXBMFYSA-N	323.527	5.264	50	20	DKGD	
N#C/C(=C/c1sccc1Cl)c1nc2cc(F)ccc2s1	780005020	RCZKPMVMAGMKPU-YVMONPNESA-N	320.801	5.214	50	20	DKGD	
CC(C)(C)c1ncc(/C=C(/C#N)c2ccc3ccccc3n2)s1	736434828	WFIIZFZHAFCUKS-UVTDQMKNSA-N	319.433	5.053	50	20	DKGD	
CCSc1cccc(/C=C(\C#N)c2nc3ccccc3s2)c1	769723694	AZOAPKVSSLZQGG-GXDHUFHOSA-N	322.458	5.472	50	20	DKGD	
N#C/C(=C/c1ccc(-c2ccccc2F)s1)c1ccccn1	74061887	GORJXPJLPCBBSF-QBFSEMIESA-N	306.365	5.013	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2cc3ccccc3s2)n1	758417925	KGWOMDJIZTYSET-MDWZMJQESA-N	310.447	5.545	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1	726429573	LUCWINDEVAEAGG-CVCOIXHCSA-N	313.784	5.122	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(F)cc2Cl)s1	797398404	HLOKLZBOPOHXQT-WDZFZDKYSA-N	320.820	5.297	50	20	DKGD	
CC(C)[C@@H](F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	784160348	GUZJPRMOUAWVOU-SNVBAGLBSA-N	321.286	5.277	50	20	DKGD	
CS/C=C/C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792547887	CHPVDXJYBKZYEH-VOTSOKGWSA-N	319.320	5.159	50	20	DKGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)s1	206970638	WEGLLSONDWAVNY-FMIVXFBMSA-N	315.825	5.201	50	20	DKGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1ccc(Cl)s1	783715227	TYLUPBZALMNFNK-USTLKGCXSA-N	313.809	5.138	50	20	DKGD	
CCc1cccc(F)c1/C=C(\C#N)c1nc(C(C)C)cs1	794875210	OECWNYPURZZSPX-MDWZMJQESA-N	300.402	5.032	50	20	DKGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)s1	726430172	XQLPYWJQOSYOFY-LQELWAHVSA-N	313.397	5.076	50	20	DKGD	
COc1cccc2cc(/C=C(\C#N)c3nc(C(C)C)cs3)oc12	747441219	YYTFBDCTMPHLDC-MDWZMJQESA-N	324.405	5.085	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cc(F)cc(Cl)c2)s1	797398361	HCFBCFVPMFFMND-NYYWCZLTSA-N	320.820	5.297	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cccc(Cl)c2F)s1	797398590	IVXSLLANXDMGQY-XFFZJAGNSA-N	320.820	5.297	50	20	DKGD	
O=C(/C=C/C1CC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	792546661	DFTWALISQRQIME-FPYGCLRLSA-N	313.291	5.249	50	20	DKGD	
N#C/C(=C\c1ccc(Oc2cccc(F)c2)cc1)c1ccccn1	766288934	NYPCWRBYOIBHAN-FOWTUZBSSA-N	316.335	5.077	50	20	DKGD	
N#C/C(=C\c1ccsc1Cl)c1nc2cc(F)ccc2s1	790100586	OKPDEFXDPFCVCX-WEVVVXLNSA-N	320.801	5.214	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc3cnccc3c2)s1	797399474	SIYNAPXQFJBGHL-SXGWCWSVSA-N	319.433	5.053	50	20	DKGD	
CCC/C(C)=C/C(=O)Nc1c(CC)cc(SC#N)cc1CC	748666764	GXCSGMNXGBOWGO-UKTHLTGXSA-N	316.470	5.069	50	20	DKGD	
C[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccco1	709701995	SSRPRUVEXDGEHK-SECBINFHSA-N	313.291	6.110	50	20	DKGD	
CC[C@H](C)N(C)C(=O)c1ccc(S(F)(F)(F)(F)F)cc1	758933480	FOWCJGBYGATBJF-VIFPVBQESA-N	317.323	5.215	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cc3ccccc3o2)s1	797399648	VEBKNGVRZAWGTB-UKTHLTGXSA-N	308.406	5.251	50	20	DKGD	
CC(=C/c1cccc(C(F)(F)F)c1)/C=C(/C#N)c1ccccn1	806568784	BMVPAXIKYBRLBG-VIYDEIPASA-N	314.310	5.111	50	20	DKGD	
Cc1ccc(-c2ccc(/C=C(/C#N)c3nc(C)cs3)s2)cc1	920485526	HXTAIAJOLOSGKT-DHDCSXOGSA-N	322.458	5.553	50	20	DKGD	
C/C=C(/CC)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	792548597	TXEVBKAIINFFJJ-OQFOIZHKSA-N	315.307	5.639	50	20	DKGD	
N#C/C(=C/c1cnc(C2CCC2)s1)c1nc2ccccc2s1	760213197	YKMVSAZIXWILEJ-WQLSENKSSA-N	323.446	5.084	50	20	DKGD	
Cc1ccccc1-c1cccc(/C=C(/C#N)C(=O)C(C)(C)C)c1	729641801	YFSLGFARURWXGW-AQTBWJFISA-N	303.405	5.184	50	20	DKGD	
CCc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)s1	731159844	XYJDPDPZXYCSPM-JXMROGBWSA-N	314.410	5.123	50	20	DKGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(SCc2ccccc2)cc1	771839431	WQZLYUVPMPXYAN-PDGQHHTCSA-N	321.445	5.111	50	20	DKGD	
N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc(C2CC2)cs1	866011914	YELTVRKNDRFUMY-VZUCSPMQSA-N	321.232	5.391	50	20	DKGD	
CCCCCCCCCCC(C)(C)C(=O)N1CC=C(C#N)CC1	780687018	SBYBGDXWVXLWAX-UHFFFAOYSA-N	318.505	5.226	50	20	DKGD	
CC1(C)C[C@@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CO1	690185852	DAVQJEZYLZBOSO-SNVBAGLBSA-N	317.323	5.323	50	20	DKGD	
CC[Si](CC)(CC)OCC(C)CO[Si](CC)(CC)CC	1857788149	KJCUOTSEQJWWAU-UHFFFAOYSA-N	318.650	5.666	50	20	DKGD	
Cc1ccc(CNc2ccc(S(F)(F)(F)(F)F)cc2)o1	689648389	LEIPNSIBGRGORH-UHFFFAOYSA-N	313.291	5.858	50	20	DKGD	
CCOC[C@@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	184034315	YBUZOSVXKBEFKK-SECBINFHSA-N	305.312	5.181	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(F)cc2Cl)n1	767715508	WZVLBEIGOQWNIN-VZUCSPMQSA-N	306.793	5.123	50	20	DKGD	
Cc1nocc1CNc1cccc(S(F)(F)(F)(F)F)c1	713499588	MFMRPHYXYDLTIB-UHFFFAOYSA-N	314.279	5.253	50	20	DKGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)s1	921138694	YUSCNLDWWJKUOK-IZZDOVSWSA-N	322.216	5.153	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NC[C@H]2CCC=CO2)c1	194688428	HUKLXMHFPMRXGS-LLVKDONJSA-N	315.307	5.449	50	20	DKGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)c2cc3ccccc3o2)cc1C	744858699	AONJXWKYLOBDEI-ZDLGFXPLSA-N	315.372	5.148	50	20	DKGD	
N#C/C(=C/c1ccc(Cl)s1)c1nc2cc(F)ccc2s1	730149763	ZHVGDVROMGMTDA-YVMONPNESA-N	320.801	5.214	50	20	DKGD	
CCc1cccc2c(/C=C(/C#N)c3nccc4ccccc34)c[nH]c12	790227865	LORUDXFVWZRRIP-ATVHPVEESA-N	323.399	5.343	50	20	DKGD	
Cc1cc(C)cc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)c1	921266202	WVEKIHRJVHXMMM-XNTDXEJSSA-N	323.346	5.112	50	20	DKGD	
CC(=C/c1ccc(Cl)cc1)/C=C(\C#N)C(=O)c1ccsc1	753711368	JESVXNAZOMLZEK-MSDVTEOZSA-N	313.809	5.138	50	20	DKGD	
CCC(CC)NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	758815279	NEMIQNJOHJTDMQ-UHFFFAOYSA-N	317.323	5.262	50	20	DKGD	
CC(=C\c1ccccc1)/C=C(\C#N)c1ncc(C(C)(C)C)s1	797405599	BIDMNTWULMZQSR-LRHSVYTJSA-N	308.450	5.451	50	20	DKGD	
N#CCCCCNCc1cccc(S(F)(F)(F)(F)F)c1	921682144	AXFOFBQGJLIEJU-UHFFFAOYSA-N	314.323	5.127	50	20	DKGD	
Cc1cccc2nc(/C(C#N)=C\c3csc4ccccc34)[nH]c12	735619658	ORDDUDXKESUAOP-LCYFTJDESA-N	315.401	5.150	50	20	DKGD	
CCCOc1cccc(/C=C(/C#N)c2nccc3ccccc23)c1	790226592	ADCDGAAVIRHURJ-AQTBWJFISA-N	314.388	5.088	50	20	DKGD	
N#C[C@H]1CC[C@H](Nc2cccc(S(F)(F)(F)(F)F)c2)C1	799735234	XIODBSKCOHLZCI-ONGXEEELSA-N	312.307	5.448	50	20	DKGD	
CC(/C=C(/C#N)c1nc2cc(F)ccc2s1)=C\c1ccccc1	730149486	XOBWXPDYZSSBBH-IJYCUAFPSA-N	320.392	5.446	50	20	DKGD	
Cc1cc(/C=C(/C#N)c2nc(C(C)C)cs2)cc2cccnc12	783711371	YBLFLYWPUOEKAG-SXGWCWSVSA-N	319.433	5.187	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2coc3ccccc23)s1	797398871	LYXAKUQAADSHQL-XYOKQWHBSA-N	308.406	5.251	50	20	DKGD	
Cc1cc(/C=C(\C#N)C(=O)C(C)(C)C)c(C)n1C1CCCCC1	8054542	RCADOBVTZNPUCX-SFQUDFHCSA-N	312.457	5.132	50	20	DKGD	
Cc1ccccc1/C=C(/C#N)c1ncc(C(F)(F)F)cc1Cl	810250491	IZQYBDRCLZDMND-SDQBBNPISA-N	322.717	5.126	50	20	DKGD	
CCc1oc2ccccc2c1/C=C(\C#N)c1nc(C)c(C)s1	741472635	CIQPUJSEDXFSCR-UKTHLTGXSA-N	308.406	5.133	50	20	DKGD	
N#C/C(=C/c1cc2ccccc2o1)c1nc2cc(F)ccc2s1	730149809	ZLZYYUKDUFADDT-WQLSENKSSA-N	320.348	5.246	50	20	DKGD	
N#C/C(=C\c1c(F)cccc1Cl)c1nccc2ccccc12	790227243	DBNLWFDZDJBOCO-JLHYYAGUSA-N	308.743	5.091	50	20	DKGD	
N#C/C(=C\c1csc2ccccc12)c1nccc2ccccc12	790229142	YMRMWLLNGVNXSY-RVDMUPIBSA-N	312.397	5.514	50	20	DKGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)s1	915862752	VKEPANYMAVRBFV-PTNGSMBKSA-N	309.434	5.144	50	20	DKGD	
CCCn1cccc1/C=C(\C#N)c1nc(-c2ccccc2)cs1	918183941	DREYBUXDTIJBEC-FOWTUZBSSA-N	319.433	5.086	50	20	DKGD	
FS(F)(F)(F)(F)c1cccc(NCC[C@@H]2CCCO2)c1	189679798	PBLJVVBEGUZUTQ-NSHDSACASA-N	317.323	5.325	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)s1	729822812	BESOSKTXPXHCDU-YRNVUSSQSA-N	322.216	5.153	50	20	DKGD	
N#C/C(=C\c1cccc(CCl)c1)c1nc2ccccc2s1	799889467	OUTKDXGPSZOYCJ-NTEUORMPSA-N	310.809	5.099	50	20	DKGD	
C[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CCOC1	184034390	IAMKIEXJAVBGQD-UWVGGRQHSA-N	317.323	5.181	50	20	DKGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1	917145493	CPTMECMSIUIGDQ-XNTDXEJSSA-N	324.305	5.318	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)s1	726120373	QCQBOTQYJAFJJO-GXDHUFHOSA-N	313.397	5.076	50	20	DKGD	
Cc1nc(/C(C#N)=C\c2ccc(Cl)c(Cl)c2)sc1C	741475297	XRAPQAFRUINACY-WZUFQYTHSA-N	309.221	5.131	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2ccc(Cl)cc2Cl)sc1C	741472490	ACKFCMHMBFKHRJ-VZUCSPMQSA-N	309.221	5.131	50	20	DKGD	
N#C/C(=C/C=C/c1ccc(F)cc1F)c1nc2ccccc2s1	758015779	BCZSBCSQNGJBSA-XKZGMXHESA-N	324.355	5.195	50	20	DKGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2coc3ccccc23)s1	797398868	LYXAKUQAADSHQL-WQLSENKSSA-N	308.406	5.251	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2ccc(Cl)c(Cl)c2)sc1C	741475296	XRAPQAFRUINACY-VZUCSPMQSA-N	309.221	5.131	50	20	DKGD	
CC(C)CCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762520133	XPEHBEJWTWWOSN-UHFFFAOYSA-N	317.323	5.719	50	20	DKGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)c1ccc2ccccc2n1	921270221	RPGQOQKBRJXXOA-ZROIWOOFSA-N	308.743	5.091	50	20	DKGD	
N#C/C(=C\c1cc2ccccc2o1)c1nc2ccccc2s1	11286350	UJEORIXKYJBVCA-JLHYYAGUSA-N	302.358	5.107	50	20	DKGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)s1	726120374	QCQBOTQYJAFJJO-UVTDQMKNSA-N	313.397	5.076	50	20	DKGD	
N#C/C(=C\c1cnc(C2CCC2)s1)c1nc2ccccc2s1	760213198	YKMVSAZIXWILEJ-XYOKQWHBSA-N	323.446	5.084	50	20	DKGD	
CC[C@H]1C[C@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CO1	688427779	KJNNHOAVXDSDQP-QWRGUYRKSA-N	317.323	5.323	50	20	DKGD	
CC(C)CCNC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	758822811	QAPSOQOIQLETES-UHFFFAOYSA-N	317.323	5.120	50	20	DKGD	
N#C/C(=C/C=C\c1ccc(F)cc1F)c1nccc2ccccc12	790227262	DRDBSERJAQJQFY-ZROURJAMSA-N	318.326	5.133	50	20	DKGD	
CCCCOc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1	866011061	UYOSMNFDULXRJZ-LFIBNONCSA-N	324.449	5.264	50	20	DKGD	
Cc1nc(/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)sc1C	741472596	BZCIZLCHBYQYGK-NTEUORMPSA-N	324.380	5.223	50	20	DKGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nccc2ccccc12	790229178	VIPJDFUXQNWAOF-NBVRZTHBSA-N	322.367	5.559	50	20	DKGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)c1ccc(Cl)s1	794874912	KWOMAXMMIIMUNM-YRNVUSSQSA-N	323.751	5.129	50	20	DKGD	
C/C=C(\C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	762519405	SYSLYSMZKLDERU-FPYGCLRLSA-N	301.280	5.249	50	20	DKGD	
FC(F)(F)[C@H](Cl)Sc1ccccc1NCc1ccoc1	770513758	GBKKUBBZXBADEE-GFCCVEGCSA-N	321.751	5.111	50	20	DKGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(C(F)F)cc2)n1	794874831	KBFTYVSYCALFAP-NTUHNPAUSA-N	304.365	5.268	50	20	DKGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cnc(-c2ccc(C)cc2)s1	794953458	LHBPMUDGCWJHPA-GDNBJRDFSA-N	324.449	5.031	50	20	DKGD	
Cc1csc(/C(C#N)=C\c2ccccc2-c2ccccc2)n1	917622503	RYXZITKPMKOEGO-BOPFTXTBSA-N	302.402	5.183	50	20	DKGD	
CCCCCN(C(=O)CCCC[C@H]1CCSS1)C(C)C	919987890	DNRNTKDNTBOSNG-HNNXBMFYSA-N	317.564	5.128	50	20	DKGD	
CC1(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)CC1	191945810	JXTGFWAZLHFMNQ-UHFFFAOYSA-N	301.280	5.083	50	20	DKGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc3ccccc3s2)s1	758417914	KDLNJJNGLIHSCW-LCYFTJDESA-N	309.415	5.061	50	20	DKGD	
CCSc1cccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c1	769723628	AELUVMFIZLRBJM-XNTDXEJSSA-N	319.433	5.048	50	20	DKGD	
Cc1ccc(C)c(/C=C(\C#N)c2nc3cc(F)ccc3s2)c1	730148239	COSGESADVQYROY-RIYZIHGNSA-N	308.381	5.116	50	20	DKGD	
N#C/C(=C/c1cc(-c2ccccc2)cs1)C(=O)C1CCCC1	781555815	PQNLWLGMUGZNFA-YBEGLDIGSA-N	307.418	5.081	50	20	DKGD