smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Nc1nnc(/C=C/c2cccc(OCc3cccnc3)c2)o1	216906454	HGZFPOPPPSYYKE-VOTSOKGWSA-N	294.314	2.796	70	40	CFIB	
CCOC(=O)c1ccc(OC)c(OCc2cccnc2)c1	216843750	ADYUAXGWAZNCCX-UHFFFAOYSA-N	287.315	2.846	70	40	CFIB	
CCOC(=O)c1ccc(OCc2cccnc2)c(OC)c1	216845056	DQVFFMHFQSTJMJ-UHFFFAOYSA-N	287.315	2.846	70	40	CFIB	
O=S(=O)(Cl)c1ccc(CBr)cc1F	103625676	LHBAUVCMJIFNSK-UHFFFAOYSA-N	287.537	2.648	70	40	CFIB	
Cc1cc(S(=O)(=O)Cl)ccc1OCC(C)C	59108305	IISWCMYHYVLXOG-UHFFFAOYSA-N	262.758	2.957	70	40	CFIB	
Cc1ccc(N)c(CC(=O)N2C[C@H](C)C[C@@H](C)C2)c1	217785210	CIALORVZGIOENH-CHWSQXEVSA-N	260.381	2.624	70	40	CFIB	
O=C(N[C@@H](c1cccnc1)C1CCOCC1)c1ccccc1	217978756	XKGCNTUUUPFXIU-QGZVFWFLSA-N	296.370	2.979	70	40	CFIB	
Cc1ccc(N)c(CC(=O)N[C@H]2CCC[C@H](C)C2)c1	217787582	KACMFYBTMSBKNM-FZMZJTMJSA-N	260.381	2.815	70	40	CFIB	
CC(C)(C)OC(=O)N1CC[C@@H](CCN)C(C)(C)C1	218243616	NXVIFLGSFFJOPE-LLVKDONJSA-N	256.390	2.618	70	40	CFIB	
CN1CCC[C@@H](C(=O)NCCCSc2ccccc2)C1	216916318	RCHIUQCHIGUZEA-CQSZACIVSA-N	292.448	2.627	70	40	CFIB	
CN1CCC(C(=O)NCCCSc2ccccc2)CC1	216923462	JPICKGWDNDIKSA-UHFFFAOYSA-N	292.448	2.627	70	40	CFIB	
Cc1c(S(=O)(=O)Cl)cnn1-c1ccc(Cl)cc1	100648543	JEJTXRNNMBJNGU-UHFFFAOYSA-N	291.159	2.762	70	40	CFIB	in-vitro
O=S(=O)(Cl)Cc1ccc(F)c(Br)c1	106460083	QPIBXDSHIGUJGD-UHFFFAOYSA-N	287.537	2.657	70	40	CFIB	
Cc1ccc(-n2ccc([C@H]3SCC(=O)N3C)c2)cc1	216704504	RBKKYHZLLMPSMC-OAHLLOKOSA-N	272.373	2.990	70	40	CFIB	
Cc1cncc(Oc2cccc(S(=O)(=O)Cl)c2)n1	100005960	TZKVHSNSPBZGTE-UHFFFAOYSA-N	284.724	2.505	70	40	CFIB	
CSc1ccccc1NC(=O)[C@@H]1CCCN(C)C1	216909209	GTOXDLNQIIOIRJ-LLVKDONJSA-N	264.394	2.689	70	40	CFIB	
CCOc1ccc(SC)cc1S(=O)(=O)Cl	103703152	NTGXNDWTNURHEP-UHFFFAOYSA-N	266.771	2.735	70	40	CFIB	
C[C@@](O)(CNC(=O)C1CCCC1)c1cc2ccccc2o1	217982958	BQYDXGCDPPXVNA-QGZVFWFLSA-N	287.359	2.947	70	40	CFIB	
O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCCO1	159514401	NNUHJSKHDTZJCW-NSHDSACASA-N	257.692	2.987	70	40	CFIB	
COCC[C@@H](CCC(C)C)CS(=O)(=O)Cl	103704260	OVVHBLWQJGGZGP-SNVBAGLBSA-N	256.795	2.644	70	40	CFIB	
Nc1nnc(-c2cccc(OCc3ccccc3)c2)o1	216747293	GNBFECRDNAAVLM-UHFFFAOYSA-N	267.288	2.898	70	40	CFIB	
COC(=O)c1cccc(Cn2ccc(-c3ccncc3)n2)c1	216695136	FGBWLGUNMAMGBP-UHFFFAOYSA-N	293.326	2.780	70	40	CFIB	
Clc1ccc(Cn2cc([C@@H]3OCCS3)nn2)cc1	216749719	ROESMJMLRFEAJY-GFCCVEGCSA-N	281.768	2.742	70	40	CFIB	
O=S(=O)(F)c1cc(Cl)c(S)cc1Cl	104162064	VLWYBQHBFPBZDI-UHFFFAOYSA-N	261.126	2.940	70	40	CFIB	
Nc1cc(Cl)c(Cl)cc1S(=O)(=O)Cl	110167043	AHIKUUZQSJTSMX-UHFFFAOYSA-N	260.529	2.503	70	40	CFIB	
O=S(=O)(Cl)Cc1ccc(Br)cc1F	60036855	LMRPDUQJLGXKNQ-UHFFFAOYSA-N	287.537	2.657	70	40	CFIB	in-vitro
O=C(c1ccccc1Cl)N1CC(Oc2nccs2)C1	218778931	PXGHYGLPYRMYCA-UHFFFAOYSA-N	294.763	2.700	70	40	CFIB	
Cn1cccc1[C@@H](O)CCNC(=O)c1cc2ccccc2o1	217933636	PWUVJWODQSRLLF-AWEZNQCLSA-N	298.342	2.625	70	40	CFIB	
CCc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1	216846239	IFYKMJOEXHPRHO-UHFFFAOYSA-N	297.406	2.534	70	40	CFIB	
Cn1cccc1[C@@H](O)CCNC(=O)c1ccc(Cl)s1	217933824	SRVCMHVWBLYUHD-JTQLQIEISA-N	298.795	2.594	70	40	CFIB	
O=S(=O)(F)c1ccc(Cl)c(Cl)c1S	104162188	UYXGCORZNVKVSE-UHFFFAOYSA-N	261.126	2.940	70	40	CFIB	
Cc1ccc(OCC(C)C)c(S(=O)(=O)Cl)c1	59108442	BQXRPPMVEXGVQP-UHFFFAOYSA-N	262.758	2.957	70	40	CFIB	
CCc1ccccc1Nc1cc(N2CCN(C)CC2)ncn1	216846194	PVAGMKFTSJTWPJ-UHFFFAOYSA-N	297.406	2.534	70	40	CFIB	
CCOC(=O)[C@]1(C)CC(C)=C(O[SiH2]C(C)(C)C)C1	217895204	LVLCGRRUOFVTPB-CQSZACIVSA-N	270.445	2.942	70	40	CFIB	
CN1CCC(CC(=O)NCCCc2ccc(F)cc2)CC1	216898825	XPWDMENNMVEROA-UHFFFAOYSA-N	292.398	2.606	70	40	CFIB	
CN1CCC(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1	216896370	AAKHZAXCSIBFIV-UHFFFAOYSA-N	290.451	2.803	70	40	CFIB	
[N-]=[N+]=NC(=O)c1cc(Cl)cc(C(=O)N=[N+]=[N-])n1	16999664	JKWGYUUKQQNAMO-UHFFFAOYSA-N	251.593	2.636	70	40	CFIB	
Cc1c(C(N)=O)cccc1-c1cc2ccccc2oc1=O	216936223	CVEKVZJJBMXFNO-UHFFFAOYSA-N	279.295	2.867	70	40	CFIB	
O=S(=O)(Cl)N1CCC2(CCCCC2)CC1	100451707	KCQLXZYZRXYJQG-UHFFFAOYSA-N	251.779	2.516	70	40	CFIB	in-vitro
CCCCCS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1	217424166	UHVPQFGBWAWIQQ-UHFFFAOYSA-N	293.388	2.800	70	40	CFIB	
O=S(=O)(Oc1cccc(F)c1Cl)C(F)(F)F	245482633	WVVVTUVAGLOERF-UHFFFAOYSA-N	278.610	2.708	70	40	CFIB	
O=C(NCCn1ccc(-c2ccsc2)n1)c1ccco1	217885622	GLFPSBBLDGCQIP-UHFFFAOYSA-N	287.344	2.635	70	40	CFIB	
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2([B-](F)(F)F)C1	725326558	AZKBMIUNSPRDIY-XCBNKYQSSA-N	250.049	2.845	70	40	CFIB	
CC(C)(C)C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217807040	CZVRPHDBLKLVSV-NSHDSACASA-N	291.395	2.774	70	40	CFIB	
CC(C)COc1ccc(S(=O)(=O)Cl)cc1F	59108095	ZVXRVOCQCYMKPK-UHFFFAOYSA-N	266.721	2.788	70	40	CFIB	
Cc1noc(-c2ccsc2NC(=O)c2ccco2)n1	217649199	HRTAUQFGWLAMKO-UHFFFAOYSA-N	275.289	2.952	70	40	CFIB	
O=[N+]([O-])c1c(C(F)(F)F)cccc1S(=O)(=O)Cl	220926749	WQYCTOPDYQTNOJ-UHFFFAOYSA-N	289.618	2.541	70	40	CFIB	
Nc1ccc(CCc2ccc(S(=O)(=O)F)cc2)cc1	104169682	UACOXIFJYLZLIF-UHFFFAOYSA-N	279.336	2.712	70	40	CFIB	
Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C)C2)cc1C	216918925	ZOJUZUPQHUPXKH-GDBMZVCRSA-N	274.408	2.822	70	40	CFIB	
CC(=O)N1CCC[C@H](c2nnc(-c3ccc(F)cc3)o2)C1	216642690	GBWFMUSNBDHDPC-LBPRGKRZSA-N	289.310	2.602	70	40	CFIB	
CN1CCN(C(=O)[C@@]23C[C@@H]4C[C@@](C)(C[C@@](C)(C4)C2)C3)CC1	217401011	ICCQAANDDFNKEO-LMMRHLTPSA-N	290.451	2.757	70	40	CFIB	
CCN1CCC[C@@H]1CCCNC(=O)OC(C)(C)C	218325196	GLAKBSJGJIVCDB-LBPRGKRZSA-N	256.390	2.776	70	40	CFIB	
CCOc1c(Cl)ccc(S(=O)(=O)Cl)c1F	103624780	BZSYGOQEEMWGJU-UHFFFAOYSA-N	273.112	2.805	70	40	CFIB	
Cc1ccc(C(N)=O)cc1-c1cc2ccccc2oc1=O	216936494	YRUQTSOXKJNMLQ-UHFFFAOYSA-N	279.295	2.867	70	40	CFIB	
O=C(CCc1ccccc1)Nc1ccn2nccc2c1	217955259	LSOSGGHPIMIJCZ-UHFFFAOYSA-N	265.316	2.906	70	40	CFIB	
Cc1ccc([C@@H](C)NC(=O)CC2CCN(C)CC2)cc1	216901465	MYMZLUVCXNUCIE-CQSZACIVSA-N	274.408	2.904	70	40	CFIB	
CCOc1cc(S(=O)(=O)Cl)c(OCC)cc1C	100757962	QQNHLDNKIYLJLV-UHFFFAOYSA-N	278.757	2.720	70	40	CFIB	
CC(C)(C)CC(=O)Nc1cnn(CC2CCOCC2)c1	218203801	IXSIFRBIEDHQRR-UHFFFAOYSA-N	279.384	2.684	70	40	CFIB	
CCOCCOc1ccc(S(=O)(=O)Cl)c(Cl)c1	103703400	CQXIBAFZMJPEAT-UHFFFAOYSA-N	299.175	2.683	70	40	CFIB	
Clc1cnc(N2CCC[C@@H]2CN2CCCCC2)nc1	160430098	WQQRRMKKXCKJIC-CYBMUJFWSA-N	280.803	2.585	70	40	CFIB	
Cc1ccc(Cn2cc(NC3=NCCC3)cn2)cc1	217805187	RYQYULBGUVWRDB-UHFFFAOYSA-N	254.337	2.844	70	40	CFIB	
C[C@@](O)(CNC(=O)CC1CC1)c1cc2ccccc2o1	217994935	BKDYSIZWRPUKBS-MRXNPFEDSA-N	273.332	2.557	70	40	CFIB	
CCCCOc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]	103693978	NQSXYODTTHLWKI-UHFFFAOYSA-N	293.728	2.701	70	40	CFIB	
Cc1ccc(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c(N)c1	217778687	RBLXKBWYRDDINO-BETUJISGSA-N	260.381	2.624	70	40	CFIB	
Cc1ccc(CC(=O)N[C@H]2CCC[C@H](C)C2)c(N)c1	217781126	AJOJPLXIYUJLTI-FZMZJTMJSA-N	260.381	2.815	70	40	CFIB	
CCC(=O)N(Cc1cc(C2CC2)n(C)n1)Cc1ccco1	217894410	NXGPMQFEKVINBA-UHFFFAOYSA-N	287.363	2.829	70	40	CFIB	
COC(=O)c1sc2ccccc2c1S(=O)(=O)Cl	100027250	ZMSSTGLPSBEKBJ-UHFFFAOYSA-N	290.749	2.615	70	40	CFIB	in-vitro
O=C(NCCSC1CCOCC1)Nc1ccc(F)cc1	217707715	USCOWKJDLRSOQC-UHFFFAOYSA-N	298.383	2.859	70	40	CFIB	
COc1cccc(C(=O)NCC[C@@H](O)c2ccsc2)c1	217526271	DZSZHNFHMJACBA-CQSZACIVSA-N	291.372	2.610	70	40	CFIB	
O=S(=O)(Cl)c1cnc2ccccc2c1Cl	100316671	BCCXDQDFYWKDEH-UHFFFAOYSA-N	262.117	2.816	70	40	CFIB	
O=S(=O)(Cl)c1ncccc1OCc1ccccc1	100374247	GQCGUZBQMGLOMP-UHFFFAOYSA-N	283.736	2.588	70	40	CFIB	in-vitro
COc1ccccc1-n1ccc([C@@H]2SCC(=O)N2C)c1	216705565	BXGKMDDNTMEFKA-HNNXBMFYSA-N	288.372	2.690	70	40	CFIB	
O=S(=O)(Oc1ccc(Cl)c(F)c1)C(F)(F)F	245482525	PDVOYOZDKGUPCW-UHFFFAOYSA-N	278.610	2.708	70	40	CFIB	
Clc1ccccc1Cn1cc([C@H]2OCCS2)nn1	216749548	VXVIHBWDQMJZRG-LBPRGKRZSA-N	281.768	2.742	70	40	CFIB	
CCOc1ccc(Cl)cc1S(=O)(=O)Cl	82030642	PDGIYYLBZMYHCQ-UHFFFAOYSA-N	255.122	2.666	70	40	CFIB	
CCCOCc1c(S(=O)(=O)Cl)cnn1[C@H](C)CC	408715913	GQPDVWVDXNYGRW-SECBINFHSA-N	294.804	2.708	70	40	CFIB	
O=C(O)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1	100505260	MBEXPYUKRJEZQW-UHFFFAOYSA-N	296.731	2.979	70	40	CFIB	
COC1CCN(C2CCN(C(=O)CC(C)(C)C)CC2)CC1	217751027	KXAFZQZKJZZIEN-UHFFFAOYSA-N	296.455	2.524	70	40	CFIB	
O=C(Nc1ccc(F)cc1Cl)[C@@H]1CCCCO1	159482621	WTHWXWXXIYVXQM-NSHDSACASA-N	257.692	2.987	70	40	CFIB	
FC(F)(F)c1nnc(SCc2cccnc2)[nH]1	216861173	VZBWNQAIBBPVEZ-UHFFFAOYSA-N	260.244	2.511	70	40	CFIB	
O=[N+]([O-])c1cc(Cl)c(S(=O)(=O)Cl)c(Cl)c1	100562140	IBDGAHVHISUVDG-UHFFFAOYSA-N	290.511	2.829	70	40	CFIB	
CC[C@H](C)OCc1nn(C(C)C)cc1S(=O)(=O)Cl	408715434	NVFKIOVAFUQFLI-VIFPVBQESA-N	294.804	2.707	70	40	CFIB	
CN1CCC(CC(=O)N[C@H]2CCCc3ccccc32)CC1	216901327	WRAWNYXOQWMZPN-KRWDZBQOSA-N	286.419	2.912	70	40	CFIB	
Cc1cc(C(N)=O)ccc1-c1cc2ccccc2oc1=O	216935183	JCFARWQKASILPE-UHFFFAOYSA-N	279.295	2.867	70	40	CFIB	
CO[C@@H](c1ccc(S(=O)(=O)Cl)cc1)C(C)C	103670453	DYACMVRBFXFJLI-LLVKDONJSA-N	262.758	2.958	70	40	CFIB	
CN1CCC(CCNC(=O)c2cccc(Cl)c2)CC1	216925536	OKLRWCTUWWAXFP-UHFFFAOYSA-N	280.799	2.802	70	40	CFIB	
CCCOc1ccc(S(=O)(=O)Cl)c(F)c1	59107002	IOMJYXLPFOTLSV-UHFFFAOYSA-N	252.694	2.542	70	40	CFIB	
Cc1ccc(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c(N)c1	217778953	JIHVLFFSMRBGPC-STQMWFEESA-N	260.381	2.909	70	40	CFIB	
CC1(C)S[C@@H](N=C=Nc2ccccc2)CN1C=O	17430020	KHBBMXBTVAXKQH-GFCCVEGCSA-N	261.350	2.759	70	40	CFIB	
O=S(=O)(Cl)c1cnc2c(Cl)cccc2c1	97973143	SIJBOKSMXBEKPL-UHFFFAOYSA-N	262.117	2.816	70	40	CFIB	
Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H](C)C2)c(N)c1	217780887	AJOJPLXIYUJLTI-BXUZGUMPSA-N	260.381	2.815	70	40	CFIB	
O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCCO1	159514523	NNUHJSKHDTZJCW-LLVKDONJSA-N	257.692	2.987	70	40	CFIB	
CC(C)(C)[SiH2]OC(C)(C)c1ccc(CC(=O)O)cc1	204894083	KOGAMRZSQKHJDV-UHFFFAOYSA-N	280.440	2.868	70	40	CFIB	
O=S(=O)(Oc1ccc(F)c(Cl)c1)C(F)(F)F	140079102	UNHNLRVCRKEXQQ-UHFFFAOYSA-N	278.610	2.708	70	40	CFIB	
Cc1noc(-c2ccc(S(=O)(=O)Cl)s2)c1C	100104737	ZKYVRFMQSGQKMT-UHFFFAOYSA-N	277.754	2.947	70	40	CFIB	in-vitro
Cc1ccc(N)c(CC(=O)N2[C@H](C)CCC[C@H]2C)c1	217785535	PGYBRMRAZNPIJC-CHWSQXEVSA-N	260.381	2.909	70	40	CFIB	
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Cl	100542173	MCZHNTYAIXGENI-UHFFFAOYSA-N	290.511	2.829	70	40	CFIB	
CN1C(=O)CS[C@@H]1c1ccn(-c2ccc(F)cc2)c1	216705009	XINRQOVBWLJYPW-CQSZACIVSA-N	276.336	2.820	70	40	CFIB	
O=C(NCC[C@H](O)c1ccsc1)c1c(F)cccc1F	217527167	YXYZTBJTNJBWDK-LBPRGKRZSA-N	297.326	2.880	70	40	CFIB	
C[C@](O)(CNC(=O)C1CC1)c1cc2ccccc2s1	217496916	HPHLALICVIVPRQ-HNNXBMFYSA-N	275.373	2.635	70	40	CFIB	
CC(C)COCc1nn(C(C)C)cc1S(=O)(=O)Cl	408715116	ACBRZNQBOITMMY-UHFFFAOYSA-N	294.804	2.564	70	40	CFIB	
Nc1nnc(/C=C/c2ccc(OCc3cccnc3)cc2)o1	216894452	FLQNGVDHSNWZDV-VMPITWQZSA-N	294.314	2.796	70	40	CFIB	
CC(C)Oc1cccc(NC(=O)[C@H]2CCCN(C)C2)c1	216909696	MKAJAEVYRRMIGS-ZDUSSCGKSA-N	276.380	2.754	70	40	CFIB	
FC(F)(F)Cn1cc(NC2=NCCCCC2)cn1	217813576	PGWWLNPMUHZMPE-UHFFFAOYSA-N	260.263	2.830	70	40	CFIB	
CSc1ccc(S(=O)(=O)Cl)cc1Cl	100489311	PCZBNKRNIIFPCD-UHFFFAOYSA-N	257.163	2.989	70	40	CFIB	
Cc1cccc(CCCNC(=O)CC2CCN(C)CC2)c1	216899534	GFPOWCLJITZICG-UHFFFAOYSA-N	288.435	2.776	70	40	CFIB	
O=C(NCC[C@H](O)c1ccsc1)[C@H]1CC=CCC1	217533796	HOESVCJJUDOJMW-AAEUAGOBSA-N	265.378	2.644	70	40	CFIB	
Cc1cccc(CSc2nnc(C(F)F)n2N)c1	216926988	ZSCZDEYFGRQSSF-UHFFFAOYSA-N	270.308	2.530	70	40	CFIB	
O=C(Cc1ccc(F)cc1F)Nc1ccn2nccc2c1	217957859	MPDXKTXTRBYZBV-UHFFFAOYSA-N	287.269	2.794	70	40	CFIB	
Cc1c(S(=O)(=O)Cl)c(C(F)F)nn1C(C)C	408717235	XFJWMMASCOBYSQ-UHFFFAOYSA-N	272.704	2.638	70	40	CFIB	
CC(=O)N1CCC[C@@H](c2nnc(-c3ccc(F)cc3)o2)C1	216642643	GBWFMUSNBDHDPC-GFCCVEGCSA-N	289.310	2.602	70	40	CFIB	
NC(=O)c1cn(C(=O)Cc2ccccc2)c2ccccc12	216952020	RFEAOOCOTUYTMH-UHFFFAOYSA-N	278.311	2.623	70	40	CFIB	
Cc1ccc(N)c(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c1	217785374	PGYBRMRAZNPIJC-STQMWFEESA-N	260.381	2.909	70	40	CFIB	
N=C(N)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl	217745783	XZTQHXKEXABFEC-UHFFFAOYSA-N	280.542	2.911	70	40	CFIB	
COCCCc1cc(O)nc(-c2ccc(F)cc2)n1	217788703	GJRKPKBNPDETTE-UHFFFAOYSA-N	262.284	2.567	70	40	CFIB	
CN(C)c1ccc2cc(S(=O)(=O)Cl)ccc2c1	95696911	QJKFMFKDDZRROW-UHFFFAOYSA-N	269.753	2.833	70	40	CFIB	
O=S(=O)(Cl)c1c(F)cccc1C(F)(F)F	100298056	VVCAQQGQZZLRJK-UHFFFAOYSA-N	262.611	2.772	70	40	CFIB	
CN1C(=O)CS[C@@H]1c1ccn(-c2cccc(F)c2)c1	216706474	LMOCIOUIDGGHGO-CQSZACIVSA-N	276.336	2.820	70	40	CFIB	
O=S(=O)(Cl)c1ccc(F)c(CBr)c1	169807513	FZDAEVWJCPLMQA-UHFFFAOYSA-N	287.537	2.648	70	40	CFIB	
O=C(Nc1cccs1)N[C@H]1CCN(c2ccccn2)C1	218100612	VCLZRCJILZBHTR-NSHDSACASA-N	288.376	2.544	70	40	CFIB	
CCCOCc1nn([C@H](C)CC)cc1S(=O)(=O)Cl	408715190	DYVOXYBGTOEJRG-SECBINFHSA-N	294.804	2.708	70	40	CFIB	
CC(C)CCOc1ccc(C#N)cc1S(=O)(=O)Cl	217794217	JNJMFLOCHXJDPJ-UHFFFAOYSA-N	287.768	2.911	70	40	CFIB	
CCS(=O)(=O)Nc1ccccc1-c1csc(C)n1	218659550	PKHGRPCOKMDLGA-UHFFFAOYSA-N	282.390	2.880	70	40	CFIB	
O=S(=O)(F)c1nc2cc(Cl)ccc2s1	100035370	SDFIANTUBQNILC-UHFFFAOYSA-N	251.691	2.608	70	40	CFIB	
Cc1c(S(=O)(=O)Cl)cnn1-c1ccccc1Cl	100652867	SNNLWAGQUMKGKH-UHFFFAOYSA-N	291.159	2.762	70	40	CFIB	in-vitro
COc1cccc(-c2cnc(-c3cnc(C)nc3)[nH]2)c1	216626184	GQHKGYOMGYGNIG-UHFFFAOYSA-N	266.304	2.851	70	40	CFIB	
O=C(NCC[C@H](O)c1ccsc1)c1ccsc1	217524893	DKNIGTJXWFWPFY-NSHDSACASA-N	267.375	2.663	70	40	CFIB	
CCc1cc(S(=O)(=O)Cl)ccc1OC(C)C	110749276	MZSVGKZKUYWRFM-UHFFFAOYSA-N	262.758	2.964	70	40	CFIB	
COc1ccc(C(N)=O)cc1-c1cc2ccccc2oc1=O	216936797	SUGIKSKFVIBWJN-UHFFFAOYSA-N	295.294	2.568	70	40	CFIB	
CC(C)Oc1ccc(S(=O)(=O)Cl)cc1F	100574709	FKNCJYJJXNAJCZ-UHFFFAOYSA-N	252.694	2.540	70	40	CFIB	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2([B-](F)(F)F)C1	725326559	AZKBMIUNSPRDIY-XVKPBYJWSA-N	250.049	2.845	70	40	CFIB	
Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(C)C2)cc1C	216918953	ZOJUZUPQHUPXKH-GOEBONIOSA-N	274.408	2.822	70	40	CFIB	
O=S(=O)(Cl)c1c(Cl)ncc2c1CCCC2	256052691	OHRCAOODJWATSY-UHFFFAOYSA-N	266.149	2.541	70	40	CFIB	
O=S(=O)(Cl)c1ccc2nc(Cl)nc(Cl)c2c1	103632158	GACPENPGQWBSDU-UHFFFAOYSA-N	297.550	2.864	70	40	CFIB	
CC(C)c1noc(CC2CN(C(=O)OC(C)(C)C)C2)n1	161046675	JKKYDWQMAMPLOV-UHFFFAOYSA-N	281.356	2.602	70	40	CFIB	
CN1C(=O)CS[C@@H]1c1ccn(-c2ccccc2F)c1	216704902	XPUXADICKGAZGR-CQSZACIVSA-N	276.336	2.820	70	40	CFIB	
C[C@H](Cc1cccc(Cl)c1)S(=O)(=O)Cl	103906938	IVBMWYWQDSPSIR-SSDOTTSWSA-N	253.150	2.840	70	40	CFIB	
CCc1ccc(C(=O)n2cc(C(N)=O)c3ccccc32)cc1	216950461	NUYLMLAFJWCWNG-UHFFFAOYSA-N	292.338	2.991	70	40	CFIB	
Cc1cccc(C(=O)n2cc(C(N)=O)c3ccccc32)c1	216949952	BFYVWIOCHZXWOS-UHFFFAOYSA-N	278.311	2.737	70	40	CFIB	
CN(C)C(=O)Sc1ccc(Cl)cc1S(=O)(=O)F	104162024	QLEDHFYSODCVJB-UHFFFAOYSA-N	297.760	2.772	70	40	CFIB	
CC(C)COc1ccc(S(=O)(=O)Cl)cc1C#N	218291419	MCKJEJNPIBJFOQ-UHFFFAOYSA-N	273.741	2.521	70	40	CFIB	
O=S(=O)(Cl)c1cc2c(nc1Cl)CCCC2	256052278	MQUQHQNFSQDXNN-UHFFFAOYSA-N	266.149	2.541	70	40	CFIB	
O=S(=O)(Cl)c1cccc(OCC(F)(F)F)c1	103635814	FTYPCJRSPCKLRO-UHFFFAOYSA-N	274.647	2.555	70	40	CFIB	
O=S(=O)(Cl)c1cccc(OCC2CCC2)c1	103633289	RPPATMZRVMDBEP-UHFFFAOYSA-N	260.742	2.793	70	40	CFIB	
Cc1cc(Br)c(C)c(S(=O)(=O)Cl)c1	100635406	SDICKLLRGFEVMU-UHFFFAOYSA-N	283.574	2.993	70	40	CFIB	in-vitro
CCc1ccc(-c2nn3c(COC)nnc3s2)cc1	216757216	BAQXXKCYSFSNCN-UHFFFAOYSA-N	274.349	2.562	70	40	CFIB	
O=C1c2ccccc2-c2ccc(S(=O)(=O)Cl)cc21	100863957	HTUPEIZTJHOCAZ-UHFFFAOYSA-N	278.716	2.826	70	40	CFIB	
Cc1ccc(CC(=O)N2C[C@H](C)C[C@@H](C)C2)c(N)c1	217778768	RBLXKBWYRDDINO-CHWSQXEVSA-N	260.381	2.624	70	40	CFIB	
Cc1nc(NCCN)cc(Nc2ccc(Cl)cc2)n1	217678030	ZJKCJXPKTPQNKO-UHFFFAOYSA-N	277.759	2.553	70	40	CFIB	
Cc1cccc(-n2ccc([C@H]3SCC(=O)N3C)c2)c1	216704394	QEKIZLQKZCNMQN-OAHLLOKOSA-N	272.373	2.990	70	40	CFIB	
CCN(CC)c1ccc(-c2nn3cnnc3s2)cc1	216885254	UPWNFNKRDQZYDW-UHFFFAOYSA-N	273.365	2.699	70	40	CFIB	
O=C(C1CCC1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217812628	DATCFJUHJYGRIP-NSHDSACASA-N	289.379	2.528	70	40	CFIB	
CC(C)(C)C(=O)NCCn1ccc(-c2ccsc2)n1	217883564	ZZKYHLSUBVTENK-UHFFFAOYSA-N	277.393	2.774	70	40	CFIB	
CCc1cc(O)nc(C2(COCC3CCC3)CC2)n1	217797613	MDPSKPIUJPNHIS-UHFFFAOYSA-N	262.353	2.593	70	40	CFIB	
CC(C)(C)OC(=O)N1CC[C@H](CCN)C(C)(C)C1	218243560	NXVIFLGSFFJOPE-NSHDSACASA-N	256.390	2.618	70	40	CFIB	
C=CCOc1c(C)ccc(S(=O)(=O)Cl)c1C	103604169	BLBJMZNNJZNSDQ-UHFFFAOYSA-N	260.742	2.796	70	40	CFIB	
CC(C)n1ncc2cc(S(=O)(=O)Cl)ccc21	100448282	NTBBYNIOICLOMP-UHFFFAOYSA-N	258.730	2.545	70	40	CFIB	in-vitro
Cc1ccc(N)c(CC(=O)N2[C@@H](C)CCC[C@H]2C)c1	217785457	PGYBRMRAZNPIJC-BETUJISGSA-N	260.381	2.909	70	40	CFIB	
CC[C@@H](C)n1ncc(S(=O)(=O)Cl)c1COC(C)C	408717222	XBJMQINKWKRKOY-SECBINFHSA-N	294.804	2.707	70	40	CFIB	
CCCOCc1c(S(=O)(=O)Cl)cnn1[C@@H](C)CC	408715914	GQPDVWVDXNYGRW-VIFPVBQESA-N	294.804	2.708	70	40	CFIB	
Cc1ccccc1-n1ccc([C@@H]2SCC(=O)N2C)c1	216704229	SCCMUUFTFWZBMZ-HNNXBMFYSA-N	272.373	2.990	70	40	CFIB	
CN1C(=O)CS[C@H]1c1ccn(-c2ccccc2)c1	216704167	HKBJRNSOPVOYAD-AWEZNQCLSA-N	258.346	2.681	70	40	CFIB	
O=S(=O)(Oc1ccc(F)cc1Cl)C(F)(F)F	197929130	KHMUKLPPUMOCFO-UHFFFAOYSA-N	278.610	2.708	70	40	CFIB	
BrCC#CCCCCBr	136099453	OHUXCMNUQIFJJL-UHFFFAOYSA-N	253.965	2.950	70	40	CFIB	
Cc1ccc(CC(=O)N[C@@H]2CCC[C@H](C)C2)c(N)c1	217781050	AJOJPLXIYUJLTI-SMDDNHRTSA-N	260.381	2.815	70	40	CFIB	
Cc1ccccc1CSc1nnc(C(F)F)n1N	216901660	DFMQPFOIFMLDTL-UHFFFAOYSA-N	270.308	2.530	70	40	CFIB	
O=S(=O)(Oc1ccc(Cl)cc1F)C(F)(F)F	142029922	WLBBSZLGCYFMQB-UHFFFAOYSA-N	278.610	2.708	70	40	CFIB	
CCCCOC(=O)c1ccc(S(=O)(=O)Cl)cc1	100501259	OPNOAMXGYRQALF-UHFFFAOYSA-N	276.741	2.571	70	40	CFIB	
O=C(NCCn1ccc(-c2ccsc2)n1)c1ccoc1	217888753	OCKSJUYOJUSVRA-UHFFFAOYSA-N	287.344	2.635	70	40	CFIB	
N=C(N)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl	217746699	QWDACZYQKUVWQJ-UHFFFAOYSA-N	279.649	2.623	70	40	CFIB	
CC(C)CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1	100068555	LVLTUAJVVSTSQX-UHFFFAOYSA-N	275.757	2.599	70	40	CFIB	
O=C(c1ccc(S(=O)(=O)Cl)cc1)c1cccs1	59214020	KVXPSKRPMWWRSZ-UHFFFAOYSA-N	286.761	2.907	70	40	CFIB	
CC(=O)N1CCC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1	216649289	IWUOKVBQQJLDFR-AWEZNQCLSA-N	285.347	2.771	70	40	CFIB	
CC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1	217826631	SAMDNHSWSVWMPO-CQSZACIVSA-N	299.374	2.846	70	40	CFIB	
O=C(CCSc1ccccc1)N1CCc2oncc2C1	217692399	IYWSENQDAQUPAN-UHFFFAOYSA-N	288.372	2.742	70	40	CFIB	
O=C(Nc1ccc(F)cc1Cl)[C@H]1CCCCO1	159482744	WTHWXWXXIYVXQM-LLVKDONJSA-N	257.692	2.987	70	40	CFIB	
Cc1cccc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)c1	159718668	KHAQEWTUGSNFCV-HNNXBMFYSA-N	296.374	2.790	70	40	CFIB	
NCCCCCCC(=O)N1CCS[C@@H]2CCCC[C@H]21	161426492	QXYFNUIBZQEHDE-ZIAGYGMSSA-N	284.469	2.782	70	40	CFIB	
O=S(=O)(Oc1ccc(C(F)(F)F)cc1)C(F)(F)F	100041741	DJHQEXVEXPOXGG-UHFFFAOYSA-N	294.172	2.934	70	40	CFIB	in-vitro
CCOc1ccc([C@H](C)NC(=O)C2CCN(C)CC2)cc1	216922892	MTQNENRHBNVNJK-ZDUSSCGKSA-N	290.407	2.604	70	40	CFIB	
CCCCn1nc(C)c(Cl)c1S(=O)(=O)Cl	100804839	YKMMIGWTQNEYBH-UHFFFAOYSA-N	271.169	2.573	70	40	CFIB	
O=S(=O)(Cl)c1ccc2nc(Cl)c(Cl)nc2c1	100579469	VZLILCJJQCJIRS-UHFFFAOYSA-N	297.550	2.864	70	40	CFIB	
C[C@@](O)(CNC(=O)c1ccoc1)c1cc2ccccc2o1	217993087	PXHZLQOTXPRBCL-MRXNPFEDSA-N	285.299	2.663	70	40	CFIB	
Cc1ccc(CC(=O)N[C@H]2CCC[C@@H](C)C2)c(N)c1	217780973	AJOJPLXIYUJLTI-RISCZKNCSA-N	260.381	2.815	70	40	CFIB	
O=C(NCCSC1CCOCC1)c1cccc(Cl)c1	217706451	LFANSEPPRNEQDN-UHFFFAOYSA-N	299.823	2.982	70	40	CFIB	
CCONC(=O)N[C@H](c1ccccc1)c1ccco1	161493746	HLLQJAYYEIMKFD-CYBMUJFWSA-N	260.293	2.620	70	40	CFIB	
Cc1ccccc1NC(=O)NCC[C@@H](O)c1cccn1C	217950028	MJLJPVVWXZOQRX-OAHLLOKOSA-N	287.363	2.579	70	40	CFIB	
CSC[C@@](C)(O)CNC(=O)c1cc2ccccc2s1	217701558	XDPWGYXJRMIZEP-AWEZNQCLSA-N	295.429	2.745	70	40	CFIB	
CCc1ccc(Br)c(S(=O)(=O)Cl)c1	100908484	MMHDHVYLDGJTRO-UHFFFAOYSA-N	283.574	2.939	70	40	CFIB	
NC(=O)c1cn(C(=O)c2ccccc2F)c2ccccc12	216952733	PSMUNXNEIQXIMZ-UHFFFAOYSA-N	282.274	2.568	70	40	CFIB	
O=S(=O)(Cl)c1ccc(C2CC2)nc1Cl	256052545	NTLMDBQGCIWJJD-UHFFFAOYSA-N	252.122	2.540	70	40	CFIB	
Cc1ccc(OCC2CC2)c(S(=O)(=O)Cl)c1	59329988	XACCHFGZNMQCPT-UHFFFAOYSA-N	260.742	2.711	70	40	CFIB	
O=S(=O)(Br)[C@H]1CCCc2ccccc21	103603625	HXSKHPONUZCFAX-JTQLQIEISA-N	275.167	2.789	70	40	CFIB	
COc1ccccc1NC(=O)Nc1ccn2nccc2c1	217958774	TWKLVZOOJLEDFD-UHFFFAOYSA-N	282.303	2.987	70	40	CFIB	
C[C@@H](CCO)Nc1ccnc2c(F)cc(F)cc12	159567886	APQIFEXDRPQDCB-QMMMGPOBSA-N	252.264	2.696	70	40	CFIB	
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccncc1	68569533	SECUXNAZTVWKIT-UHFFFAOYSA-N	289.159	2.996	70	40	CFIB	
CCOC(=O)c1ccc(=O)n(CCc2ccccc2)c1C	218272282	WTKIMBMSQKIYJI-UHFFFAOYSA-N	285.343	2.576	70	40	CFIB	
O=S(=O)(Cl)CCCn1c(C2CC2)nc2ccccc21	110752682	REFCLGBRSRTMAR-UHFFFAOYSA-N	298.795	2.872	70	40	CFIB	
CCOC(=O)c1coc(C(F)F)c1C(=O)OCC	217644437	HECBPMANTDEBQV-UHFFFAOYSA-N	262.208	2.571	70	40	CFIB	
COC(C)(C)c1ccc(S(=O)(=O)Cl)s1	1772715112	CGIMFFCRQHSJCW-UHFFFAOYSA-N	254.760	2.557	70	40	CFIB	
COC(=O)c1cccc(Cn2ccc(-c3ccco3)n2)c1	216691019	MTRNTPWXRAKWPK-UHFFFAOYSA-N	282.299	2.978	70	40	CFIB	
O=C(NCCSC1CCOCC1)NC1CCCCC1	217708197	NHXZKKDCFBZNDL-UHFFFAOYSA-N	286.441	2.531	70	40	CFIB	
CCCNC(=O)CCc1c(C)[nH]c2c(C)cccc2c1=O	217432014	LECSWCAOKKXPPZ-UHFFFAOYSA-N	286.375	2.604	70	40	CFIB	
CN1CCC[C@@H](C(=O)NCCCSC2CCCCC2)C1	216916456	HBGAAWQWAOVISH-CQSZACIVSA-N	298.496	2.900	70	40	CFIB	
Cc1ccc(N)c(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1	217785131	CIALORVZGIOENH-BETUJISGSA-N	260.381	2.624	70	40	CFIB	
C[C@@H]1CC(=O)c2cc(S(=O)(=O)Cl)sc2S1	45328674	ULWSBNDSDFOIHY-SCSAIBSYSA-N	282.795	2.743	70	40	CFIB	
CCC(=O)OCO[C@H](CCl)COCc1ccccc1	34498927	CGLSALFSKRQKTC-CYBMUJFWSA-N	286.755	2.738	70	40	CFIB	
CC(C)(C)OC(=O)Nc1cnn(C(F)(F)F)c1	217572103	KYOQVXGPRWPJGX-UHFFFAOYSA-N	251.208	2.706	70	40	CFIB	
CC[C@@H](NC(=O)[C@H]1CCCN(C)C1)c1ccc(OC)cc1	216915087	DHYCFQBBUCKTIV-GOEBONIOSA-N	290.407	2.604	70	40	CFIB	
CCOC(=O)c1ccc(-c2ccc(OC)cc2)nc1N	217691358	DGHRTJKLPOARKI-UHFFFAOYSA-N	272.304	2.516	70	40	CFIB	
NC(=O)c1ccccc1-c1cc2ccccc2oc1=O	216935802	FNPSYNXDNZMEEH-UHFFFAOYSA-N	265.268	2.559	70	40	CFIB	
COc1ccc(Cl)cc1OS(=O)(=O)C(F)(F)F	247904563	RYCKSFNEDODZIJ-UHFFFAOYSA-N	290.646	2.577	70	40	CFIB	
CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(C)C2)cc1	216914579	KSMKOCNKJXBPRH-DZGCQCFKSA-N	290.407	2.604	70	40	CFIB	
O=C(Cl)c1ccc(Cl)c(S(=O)(=O)Cl)c1	59245799	PNXMCBFANZCXMB-UHFFFAOYSA-N	273.524	2.647	70	40	CFIB	
CCc1nc2ccccc2n1CCCS(=O)(=O)Cl	110752690	KGPIYDJJDPLIRC-UHFFFAOYSA-N	286.784	2.557	70	40	CFIB	
F[B-](F)(F)c1cccc2c1OC(F)(F)C(F)(F)O2	198009902	GYIHHVQYLLXNGD-UHFFFAOYSA-N	274.908	2.698	70	40	CFIB	
O=S(=O)(Cl)c1ccc(OCC2CCC2)cc1	103633275	CNLBJYRFPUHRPV-UHFFFAOYSA-N	260.742	2.793	70	40	CFIB	
Clc1ncnc(N2CCOCC2)c1-c1ccccc1	217691161	KYCZZQWMSHMIKK-UHFFFAOYSA-N	275.739	2.634	70	40	CFIB	
O=C(COc1cc(=O)[nH]c2ccccc12)c1ccccc1	217438187	XQAWCYULAOUOTP-UHFFFAOYSA-N	279.295	2.790	70	40	CFIB	
C[C@](O)(CNC(=O)C1CCCC1)c1cc2ccccc2o1	217983038	BQYDXGCDPPXVNA-KRWDZBQOSA-N	287.359	2.947	70	40	CFIB	
CN1CCC(CC(=O)N[C@@H]2CCCc3ccccc32)CC1	216901294	WRAWNYXOQWMZPN-QGZVFWFLSA-N	286.419	2.912	70	40	CFIB	
NNc1nnc(-c2cccc(OCc3ccccc3)c2)o1	216801421	MTAFZHAPPJNJMR-UHFFFAOYSA-N	282.303	2.601	70	40	CFIB	
Cc1cccc(Cl)c1OS(=O)(=O)C(F)(F)F	247871118	LKXSAOFBMORMGS-UHFFFAOYSA-N	274.647	2.877	70	40	CFIB	
O=S(=O)(Cl)c1cccc(F)c1CBr	169807508	KLNFPINPLBWXFA-UHFFFAOYSA-N	287.537	2.648	70	40	CFIB	
O=S(=O)(Cl)c1ccccc1OCC(F)(F)F	103635820	PUEQWPNTKABOHN-UHFFFAOYSA-N	274.647	2.555	70	40	CFIB	
CC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3F)o2)C1	216644782	YELVIWZVWRBVPC-LLVKDONJSA-N	289.310	2.602	70	40	CFIB	
O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c(C(F)(F)F)c1	100457645	ICROHEDUOASYFB-UHFFFAOYSA-N	289.618	2.541	70	40	CFIB	
COc1ccccc1C(=O)NCC[C@@H](O)c1ccsc1	217526081	CBJVCFHNCQEFNT-CYBMUJFWSA-N	291.372	2.610	70	40	CFIB	
CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Cl)cc1	100562435	BSWWNBRWXMIKLR-UHFFFAOYSA-N	275.757	2.599	70	40	CFIB	
CCOC(=O)c1c(C)n(CCOC)c2ccc(OC)cc12	217760091	RIMWMXJIQUJRKX-UHFFFAOYSA-N	291.347	2.781	70	40	CFIB	
CS[C@H]1CCN(C(=O)c2c(F)cccc2F)C1	217549387	BCXSGIYYWPRJOS-QMMMGPOBSA-N	257.305	2.542	70	40	CFIB	
Cc1ccc(N)c(CC(=O)N[C@H]2CCC[C@@H](C)C2)c1	217787413	KACMFYBTMSBKNM-RISCZKNCSA-N	260.381	2.815	70	40	CFIB	
O=C(CCc1ccccc1)NCCSC1CCOCC1	217700035	QIYMLWBATRWTKU-UHFFFAOYSA-N	293.432	2.648	70	40	CFIB	
Cn1c(SCC(=O)c2ccccc2)nc2cnccc21	217675760	MFZCQPYQRRSCSI-UHFFFAOYSA-N	283.356	2.943	70	40	CFIB	
CC[C@@H](C)OCc1c(S(=O)(=O)Cl)cnn1C(C)C	408716860	RXRHDNGEXBYLIH-SECBINFHSA-N	294.804	2.707	70	40	CFIB	
CC(C)COc1ccc(C#N)cc1S(=O)(=O)Cl	217794069	UWTSHTDVCLJPRH-UHFFFAOYSA-N	273.741	2.521	70	40	CFIB	
Cc1noc(-c2csc(S(=O)(=O)Cl)c2)c1C	100485100	LBVRAZYJYJYUJS-UHFFFAOYSA-N	277.754	2.947	70	40	CFIB	
Cn1ncc(-c2ccc(Cl)cc2)c1S(=O)(=O)Cl	218815107	HNSDFSNQUMRGCY-UHFFFAOYSA-N	291.159	2.668	70	40	CFIB	
Cc1cc(OS(=O)(=O)C(F)(F)F)ccc1Cl	141753344	GXTANZIMNFELFU-UHFFFAOYSA-N	274.647	2.877	70	40	CFIB	
CC(=O)N1CCC(c2nnc(-c3ccc(C)cc3)o2)CC1	216632988	BFNLQBNSJVHUAR-UHFFFAOYSA-N	285.347	2.771	70	40	CFIB	
O=S(=O)(Cl)c1ccc2sc(Cl)nc2c1	97956497	XMJQGQZTMSDKOR-UHFFFAOYSA-N	268.146	2.877	70	40	CFIB	
Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccccc1	216949564	ZFYHHNQMPWVRNX-UHFFFAOYSA-N	278.311	2.737	70	40	CFIB	
CC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1	217826556	SAMDNHSWSVWMPO-AWEZNQCLSA-N	299.374	2.846	70	40	CFIB	
CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccco1	217637247	TXWSBHPTVCQQMT-ZACCUICWSA-N	251.351	2.778	70	40	CFIB	
O=C(/C=C/c1ccoc1)NC[C@](O)(c1ccccc1)C1CC1	217579425	CISPWOLHWFVWSM-YOCVDRLZSA-N	297.354	2.707	70	40	CFIB	
Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Cl	100062019	JIZGXQUDCCNBIE-UHFFFAOYSA-N	298.751	2.850	70	40	CFIB	
O=C1O[C@@]2(CCCN(C(=O)c3ccoc3)C2)c2ccccc21	217603917	QQSLJZVEDSDLBZ-QGZVFWFLSA-N	297.310	2.582	70	40	CFIB	
CSc1cccc(NC(=O)[C@H]2CCCN(C)C2)c1	216907470	DJJLKHNYUFADAD-NSHDSACASA-N	264.394	2.689	70	40	CFIB	
CCc1noc(C)c1NC(=O)Nc1nc(COC)cs1	161370041	IHAQFFMPPXCRNJ-UHFFFAOYSA-N	296.352	2.792	70	40	CFIB	
CC(C)(C)OC(=O)Nc1cnn(CC2CCOCC2)c1	218225565	KLNHEKQKWYOGKN-UHFFFAOYSA-N	281.356	2.657	70	40	CFIB	
O=S(=O)(F)c1ccc(SC(F)(F)F)cc1	103710304	DTQGSUMZGVARLK-UHFFFAOYSA-N	260.233	2.957	70	40	CFIB	
CCCn1cc(S(=O)(=O)Cl)c(CO[C@H](C)CC)n1	408715183	DQHBLSLYJCPXFO-SECBINFHSA-N	294.804	2.536	70	40	CFIB	
O=C(NC1CCCCC1)c1ccc([B-](F)(F)F)cc1	642814769	WCPPBYODWSNBIU-UHFFFAOYSA-N	270.083	2.804	70	40	CFIB	
COc1ccc(-n2ccc([C@@H]3SCC(=O)N3C)c2)cc1	216705680	MAOYTQNYTJIPNW-HNNXBMFYSA-N	288.372	2.690	70	40	CFIB	
COc1ccc(S(=O)(=O)Cl)c(Cl)c1Cl	59336177	AJHJBAMQCLTOGP-UHFFFAOYSA-N	275.540	2.930	70	40	CFIB	
N=C(N)CC(=O)Nc1ccc(OCc2ccccc2)cc1	217747359	NTUPXMDQBDBPKZ-UHFFFAOYSA-N	283.331	2.530	70	40	CFIB	
Cc1ccc(N)c(CC(=O)N[C@@H]2CCC[C@H](C)C2)c1	217787498	KACMFYBTMSBKNM-SMDDNHRTSA-N	260.381	2.815	70	40	CFIB	
O=C(NCCSC1CCOCC1)c1ccccc1Cl	217705237	TZYWOVCJNSBIAA-UHFFFAOYSA-N	299.823	2.982	70	40	CFIB	
COC(=O)c1cc2ccccc2cc1S(=O)(=O)Cl	59306026	RJFUIXWQYYNIBE-UHFFFAOYSA-N	284.720	2.554	70	40	CFIB	
CC[C@H](NC(=O)[C@H]1CCCN(C)C1)c1ccc(OC)cc1	216915109	DHYCFQBBUCKTIV-HOCLYGCPSA-N	290.407	2.604	70	40	CFIB	
CN(C)CCOC(=O)[C@@]12CC[C@@H]3C[C@@H](C[C@@H](C3)C1)C2	217764172	UDELJQZYKSBDHL-FXDBZKHDSA-N	265.397	2.698	70	40	CFIB	
CC[C@@H](C)n1nc(C)c(Cl)c1S(=O)(=O)Cl	100804834	ZGKIYYUBTWCCJV-RXMQYKEDSA-N	271.169	2.743	70	40	CFIB	
O=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1F	103624736	JKDDGYKIHHWEBS-UHFFFAOYSA-N	278.610	2.652	70	40	CFIB	
O=S(=O)(Cl)c1ccc(OC(F)F)c(Cl)c1	59108544	HZYSUBKQMDFEGW-UHFFFAOYSA-N	277.075	2.869	70	40	CFIB	in-vitro
O=S(=O)(Cl)c1cc(Oc2ccccc2)co1	100032002	IILZFFNMDRPULT-UHFFFAOYSA-N	258.682	2.999	70	40	CFIB	
Cc1cccc(OCC(=O)N2[C@H]3C=CC[C@H]2CC3)c1	218696228	ATBBDWUMGVQMMR-KBPBESRZSA-N	257.333	2.693	70	40	CFIB	
CCCCOCc1c(S(=O)(=O)Cl)cnn1CCC	408716610	OUNPLYCUHAUPRU-UHFFFAOYSA-N	294.804	2.537	70	40	CFIB	
CC[C@H](CNC(=O)[C@@H]1CCCN(C)C1)Cc1ccccc1	216917274	JSIOGBUFVPAZPK-DOTOQJQBSA-N	288.435	2.713	70	40	CFIB	
O=S(=O)(Br)[C@@H]1CCCc2ccccc21	103603628	HXSKHPONUZCFAX-SNVBAGLBSA-N	275.167	2.789	70	40	CFIB	
COC(=O)c1cccc(Cn2ccc(-c3cccnc3)n2)c1	216694034	MJJWHPGEFDFVII-UHFFFAOYSA-N	293.326	2.780	70	40	CFIB	
O=C(/C=C/c1ccoc1)NC[C@@](O)(c1ccccc1)C1CC1	217579512	CISPWOLHWFVWSM-AHKGRUIUSA-N	297.354	2.707	70	40	CFIB	
N#Cc1ccc(S(=O)(=O)Cl)cc1C(F)(F)F	100154013	YKHLEJBYHQQAMZ-UHFFFAOYSA-N	269.631	2.505	70	40	CFIB	
COc1ccc2ccc(S(=O)(=O)Cl)cc2c1	100187124	ZEXCZHWVXMIOFB-UHFFFAOYSA-N	256.710	2.776	70	40	CFIB	
CC(C)(CO)NC(=O)[C@@]12C[C@@H]3C[C@@](C)(C[C@@](C)(C3)C1)C2	217767322	CNQCJENVECAAKF-SPPCSIHOSA-N	279.424	2.870	70	40	CFIB	
CC(=O)N1CCC[C@@H](c2nnc(-c3ccc(C)cc3)o2)C1	216649244	IWUOKVBQQJLDFR-CQSZACIVSA-N	285.347	2.771	70	40	CFIB	
Cc1ccccc1C(=O)n1cc(C(N)=O)c2ccccc21	216949724	ZGTLKJMWULEOGH-UHFFFAOYSA-N	278.311	2.737	70	40	CFIB	
O=S(=O)(Cl)c1cc(C(F)(F)F)cnc1Cl	100221714	PKOSYNUDTZKZAU-UHFFFAOYSA-N	280.054	2.681	70	40	CFIB	
COc1cc(NC(=O)c2cscn2)ccc1F	160391696	KFDFDRVDJICJAL-UHFFFAOYSA-N	252.270	2.543	70	40	CFIB	
Cc1ccc(SCCNC(=O)[C@@H]2CCCN(C)C2)cc1	216905837	JOKOWLGGGPTKQX-CQSZACIVSA-N	292.448	2.545	70	40	CFIB	
O=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1	100060602	IMACKMPNYCQJNE-UHFFFAOYSA-N	289.523	2.619	70	40	CFIB	
COc1cccc(-n2ccc([C@H]3SCC(=O)N3C)c2)c1	216705158	WABZDMHEHRJRMU-OAHLLOKOSA-N	288.372	2.690	70	40	CFIB	
O=C(NO[C@@H]1CCCCO1)Nc1c(F)cc(F)cc1F	161314516	AZMJTSFTFDYDSQ-SNVBAGLBSA-N	290.241	2.684	70	40	CFIB	
O=S(=O)(F)c1ccc(S)c(Cl)c1Cl	104162181	JWDJAETWSTURAL-UHFFFAOYSA-N	261.126	2.940	70	40	CFIB	
CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncc1	217588320	QVQXNKGMHBEAAM-FUNVUKJBSA-N	262.378	2.580	70	40	CFIB	
O=C(NCC[C@@H](O)c1ccsc1)c1cccs1	217524678	ALRVXPACAUXTOF-SNVBAGLBSA-N	267.375	2.663	70	40	CFIB	
O=C(Cl)c1cc(S(=O)(=O)Cl)c(Cl)cc1F	159134091	LRQAQLKSYUHFOH-UHFFFAOYSA-N	291.514	2.786	70	40	CFIB	
Cc1ccc(OC(F)(F)F)cc1S(=O)(=O)Cl	103625612	GUMMDXAWVBRQPV-UHFFFAOYSA-N	274.647	2.821	70	40	CFIB	
C[C@@H](c1ccc(S(=O)(=O)Cl)cc1)C(F)F	45328560	YYASCGZVDHKVIC-LURJTMIESA-N	254.685	2.983	70	40	CFIB	
CC(C)COCc1c(S(=O)(=O)Cl)cnn1C(C)C	408715832	FLBMWDDFGYRLBZ-UHFFFAOYSA-N	294.804	2.564	70	40	CFIB	
CC(C)(C)C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217806991	CZVRPHDBLKLVSV-LLVKDONJSA-N	291.395	2.774	70	40	CFIB	
Cc1ccc([C@H](C)NC(=O)C2CCN(C)CC2)cc1C	216924737	OJPGRUYZFGIKPB-AWEZNQCLSA-N	274.408	2.822	70	40	CFIB	
O=S(=O)(Oc1cc(F)cc(Cl)c1)C(F)(F)F	245482276	BFLIJJPHWFHGOK-UHFFFAOYSA-N	278.610	2.708	70	40	CFIB	
C[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(F)cc1	216901566	NYQCKTHCRSJWEW-GFCCVEGCSA-N	278.371	2.735	70	40	CFIB	
N#Cc1cc(S(=O)(=O)Cl)c(Cl)cc1Cl	218310244	TUDNMQWNBAMXRZ-UHFFFAOYSA-N	270.524	2.793	70	40	CFIB	
Cc1ccc([C@@H](C)NC(=O)C2CCN(C)CC2)cc1C	216924717	OJPGRUYZFGIKPB-CQSZACIVSA-N	274.408	2.822	70	40	CFIB	
Cc1cc(S(=O)(=O)Cl)sc1Br	100441530	RRMFMKFGHNRQPZ-UHFFFAOYSA-N	275.576	2.747	70	40	CFIB	
CC(C)COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl	59082008	CJJHVCASVOHOGD-UHFFFAOYSA-N	293.728	2.557	70	40	CFIB	
CC(C)(C)C(=O)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217653275	NFCAEYWRSBMZMC-AWEZNQCLSA-N	298.390	2.765	70	40	CFIB	
COc1ccccc1C(=O)NCC[C@H](O)c1ccsc1	217526001	CBJVCFHNCQEFNT-ZDUSSCGKSA-N	291.372	2.610	70	40	CFIB	
O=C(NCC[C@@H](O)c1ccsc1)c1c(F)cccc1F	217527263	YXYZTBJTNJBWDK-GFCCVEGCSA-N	297.326	2.880	70	40	CFIB	
CCSCc1cccc(S(=O)(=O)Cl)c1	103603366	CJCATLGPSLBKRI-UHFFFAOYSA-N	250.772	2.867	70	40	CFIB	
O=C(C1CCC1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217653093	FEFQJYOSEFHICE-OAHLLOKOSA-N	296.374	2.519	70	40	CFIB	
O=S(=O)(Cl)c1c(F)cccc1CBr	169807506	ADIOWZNBNPDMCG-UHFFFAOYSA-N	287.537	2.648	70	40	CFIB	
CCONC(=O)N[C@@H](c1ccccc1)c1ccco1	161493624	HLLQJAYYEIMKFD-ZDUSSCGKSA-N	260.293	2.620	70	40	CFIB	
O=C(NCC[C@@H](O)c1ccsc1)[C@H]1CC=CCC1	217533722	HOESVCJJUDOJMW-WCQYABFASA-N	265.378	2.644	70	40	CFIB	
Cc1c(C(N)=O)c2ccccc2n1C(=O)c1cccs1	216951375	OATWSEWGVVMGBZ-UHFFFAOYSA-N	284.340	2.799	70	40	CFIB	
CCOc1ccc(-n2ccc(C3OCCO3)c2)cc1	216700860	KGXXDDMEDVMCKY-UHFFFAOYSA-N	259.305	2.921	70	40	CFIB	
O=[N+]([O-])c1cccc2cc(S(=O)(=O)Cl)ccc12	110167140	DBRNMMTUEGQIFD-UHFFFAOYSA-N	271.681	2.676	70	40	CFIB	
C[C@H](F)CO[Si](Cl)(OC[C@@H](C)F)OC[C@@H](C)F	1083812549	RMSYKIFGNUEVSS-HLTSFMKQSA-N	294.773	2.785	70	40	CFIB	
COc1c(C)cc(S(=O)(=O)Cl)cc1C(F)(F)F	103626075	MSKHXWJNHJRFCZ-UHFFFAOYSA-N	288.674	2.950	70	40	CFIB	
CC(C)(C)c1nc(-c2ccc(S(=O)(=O)Cl)o2)no1	100004423	KYRPGGLBXSIAGW-UHFFFAOYSA-N	290.728	2.555	70	40	CFIB	
O=C(Nc1ccc(S(=O)(=O)Cl)cc1)C1CCCC1	59107149	GNRNTKODYZEAHJ-UHFFFAOYSA-N	287.768	2.743	70	40	CFIB	
Cc1ccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)cc1	216848334	RBRSITNKVVKNMM-UHFFFAOYSA-N	297.406	2.589	70	40	CFIB	
COc1ccc(S(=O)(=O)Cl)cc1OC(F)(F)F	103624792	ZEVKXUVJWXWKMJ-UHFFFAOYSA-N	290.646	2.521	70	40	CFIB	
Clc1cnc(N2CCC[C@H]2CN2CCCCC2)nc1	160430240	WQQRRMKKXCKJIC-ZDUSSCGKSA-N	280.803	2.585	70	40	CFIB	
CC(=O)N1CCC(c2nnc(-c3ccccc3C)o2)CC1	216631753	HOYAHFCXQZUEDN-UHFFFAOYSA-N	285.347	2.771	70	40	CFIB	
Cc1cc(C(=O)NCCSC2CCOCC2)c(C)o1	217699701	GQWQRJIQWCJMHQ-UHFFFAOYSA-N	283.393	2.538	70	40	CFIB	
CN1CCC[C@H](C(=O)NCCCSc2ccccc2)C1	216916345	RCHIUQCHIGUZEA-AWEZNQCLSA-N	292.448	2.627	70	40	CFIB	
CN1CCC[C@H](C(=O)NCCCc2ccc(Cl)cc2)C1	216912115	ITGPFXVFYKBOGX-AWEZNQCLSA-N	294.826	2.731	70	40	CFIB	
Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(O)c2)cc1	160123751	RYBXYJVPFWMYEB-GFCCVEGCSA-N	291.372	2.740	70	40	CFIB	
Cc1cc(Br)cc(C)c1S(=O)(=O)Cl	95707666	VTPRHRFUFYYYRR-UHFFFAOYSA-N	283.574	2.993	70	40	CFIB	
COc1ccc(Br)c(CS(=O)(=O)Cl)c1	114450234	UGDONJBCTOYANW-UHFFFAOYSA-N	299.573	2.526	70	40	CFIB	in-vitro
CCOc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(C)C2)cc1	216914608	KSMKOCNKJXBPRH-HIFRSBDPSA-N	290.407	2.604	70	40	CFIB	
O=S(=O)(Cl)c1ccc(Cl)cc1-c1ncco1	218801108	IANXWWWHJCWUKE-UHFFFAOYSA-N	278.116	2.923	70	40	CFIB	
O=C(NCC[C@@H](O)c1ccsc1)c1ccsc1	217524808	DKNIGTJXWFWPFY-LLVKDONJSA-N	267.375	2.663	70	40	CFIB	
COc1ccccc1CCCNC(=O)COc1ccccc1	217821696	IWSQSZFVTJFSRB-UHFFFAOYSA-N	299.370	2.823	70	40	CFIB	
O=C(CC1CCCC1)NCCSC1CCOCC1	217699346	PQGQWYPTRRQKNT-UHFFFAOYSA-N	271.426	2.595	70	40	CFIB	
CCCCn1cc(S(=O)(=O)Cl)c(COCCC)n1	408715229	HBBPGMDPINYDNA-UHFFFAOYSA-N	294.804	2.537	70	40	CFIB	
O=C(NCC[C@H](O)c1ccsc1)c1cccs1	217524587	ALRVXPACAUXTOF-JTQLQIEISA-N	267.375	2.663	70	40	CFIB	
Cc1ccccc1COc1cccc(-c2nnc(NN)o2)c1	216801600	DCSXSIBDKYXLFC-UHFFFAOYSA-N	296.330	2.910	70	40	CFIB	
COc1ccc([C@@H](C)NC(=O)CC2CCN(C)CC2)cc1	216901382	UKUJBGUGZFPJKJ-CYBMUJFWSA-N	290.407	2.604	70	40	CFIB	
C[SiH](C)OCCc1c(F)c(F)c(F)c(F)c1F	604938060	DSBFRXGNFODXFY-UHFFFAOYSA-N	270.273	2.925	70	40	CFIB	
Cc1nc(-c2ccc(S(=O)(=O)Cl)cc2)c(C)o1	100647772	DJUCKCOHCPVGJA-UHFFFAOYSA-N	271.725	2.886	70	40	CFIB	
O=C(Cc1ccsc1)Nc1ccn2nccc2c1	217957773	VCRWUHLNIJNJLV-UHFFFAOYSA-N	257.318	2.577	70	40	CFIB	
Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(C)C2)cc1C	216919000	ZOJUZUPQHUPXKH-HOCLYGCPSA-N	274.408	2.822	70	40	CFIB	
Clc1ccc(Cn2cc([C@H]3OCCS3)nn2)cc1	216749765	ROESMJMLRFEAJY-LBPRGKRZSA-N	281.768	2.742	70	40	CFIB	
Cn1cccc1[C@H](O)CCNC(=O)c1cc2ccccc2o1	217933558	PWUVJWODQSRLLF-CQSZACIVSA-N	298.342	2.625	70	40	CFIB	
O=S(=O)(Cl)c1cc(F)ccc1C(F)(F)F	103626082	DRXFNKKEESCKSG-UHFFFAOYSA-N	262.611	2.772	70	40	CFIB	
O=C(c1ccc2nsnc2c1)N1[C@H]2C=CC[C@H]1CC2	218697543	TZHNDTMJDKTONS-QWRGUYRKSA-N	271.345	2.624	70	40	CFIB	
Cc1ccccc1NC(=O)NCC[C@H](O)c1cccn1C	217949949	MJLJPVVWXZOQRX-HNNXBMFYSA-N	287.363	2.579	70	40	CFIB	
O=S(=O)(Cl)Cc1ccc(F)cc1Br	100619364	CNIONLWHMPZKMY-UHFFFAOYSA-N	287.537	2.657	70	40	CFIB	in-vitro
CS[C@@H]1CCN(C(=O)c2c(F)cccc2F)C1	217549289	BCXSGIYYWPRJOS-MRVPVSSYSA-N	257.305	2.542	70	40	CFIB	
Cc1ccc(CCCNC(=O)CC2CCN(C)CC2)cc1	216899480	SOTATYOWHCJXGN-UHFFFAOYSA-N	288.435	2.776	70	40	CFIB	
Cc1ccc([C@@H](C)NC(=O)C2CCN(C)CC2)c(C)c1	216922941	PTLNEMDKBMHLGJ-CQSZACIVSA-N	274.408	2.822	70	40	CFIB	
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cccnc1	100047356	AXHLJDBUUFUDCF-UHFFFAOYSA-N	289.159	2.996	70	40	CFIB	
O=S(=O)(F)C(F)(F)C(F)(F)OC(F)=C(F)F	97949941	VQUGQIYAVYQSAB-UHFFFAOYSA-N	280.092	2.523	70	40	CFIB	
N#Cc1ccc(S(=O)(=O)Cl)c(C(F)(F)F)c1	100068318	DMRMWUNIFCEILQ-UHFFFAOYSA-N	269.631	2.505	70	40	CFIB	in-vitro
Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(C)C2)cc1C	216918978	ZOJUZUPQHUPXKH-ZBFHGGJFSA-N	274.408	2.822	70	40	CFIB	
Cc1ccc2c(S(=O)(=O)Cl)c(C)ccc2n1	218801413	AFRXHVGBUJTHHU-UHFFFAOYSA-N	255.726	2.779	70	40	CFIB	
O=C(O)c1cccc(-c2ccc(S(=O)(=O)Cl)cc2)c1	100188212	SPKKGTHEJMJWEU-UHFFFAOYSA-N	296.731	2.979	70	40	CFIB	
Cc1ccc(S[C@@H](C)C(=O)NC2CCN(C)CC2)cc1	216930542	VFWIOGHRRRDXAU-ZDUSSCGKSA-N	292.448	2.686	70	40	CFIB	
CCN1C(=O)c2cccc3c(S(=O)(=O)Cl)ccc1c23	95686638	YHNPFOVWPDMOEW-UHFFFAOYSA-N	295.747	2.747	70	40	CFIB	
Cc1cccc(Nc2cc(N3CCN(C)CC3)ncn2)c1C	216845981	ROEBLLLZJSLPSB-UHFFFAOYSA-N	297.406	2.589	70	40	CFIB	
CC1(C)S[C@H](N=C=Nc2ccccc2)CN1C=O	17430024	KHBBMXBTVAXKQH-LBPRGKRZSA-N	261.350	2.759	70	40	CFIB	
CCCCn1ncc(S(=O)(=O)Cl)c1COC(C)C	408717220	XBBNFRSZSNBTRX-UHFFFAOYSA-N	294.804	2.536	70	40	CFIB	
NC(=O)c1cn(C(=O)c2ccc(F)cc2)c2ccccc12	216954062	FRWLGCYPGHNJQM-UHFFFAOYSA-N	282.274	2.568	70	40	CFIB	
COC(=O)c1cccc(Cn2ccc(-c3ccccn3)n2)c1	216692973	RDJASFUECMTBES-UHFFFAOYSA-N	293.326	2.780	70	40	CFIB	
O=S(=O)(Cl)c1ccc(N2CCCCC2)cc1	100860005	NIHQHAOPTSHEGF-UHFFFAOYSA-N	259.758	2.604	70	40	CFIB	
Cc1cc(C(=O)N(Cc2ccco2)C2CCCC2)[nH]n1	160884486	KBPUIIOWOQAFAS-UHFFFAOYSA-N	273.336	2.896	70	40	CFIB	
Cc1nccc(NC(=O)N2[C@H]3CC[C@H]2CC(O)C3)c1Cl	159990189	NDOYJNQMYRFFKR-UWVGGRQHSA-N	295.770	2.563	70	40	CFIB	
O=C(Nc1cnn(CC2CCOCC2)c1)[C@@H]1CC=CCC1	218225371	QDXNYZCJUDGFIV-CQSZACIVSA-N	289.379	2.605	70	40	CFIB	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2([B-](F)(F)F)C1	725326557	AZKBMIUNSPRDIY-OIBJUYFYSA-N	250.049	2.845	70	40	CFIB	
CC[C@H](C)n1nc(C)c(Cl)c1S(=O)(=O)Cl	100804836	ZGKIYYUBTWCCJV-YFKPBYRVSA-N	271.169	2.743	70	40	CFIB	
Cc1ccc(CN(C)C(=O)CC2CCN(C)CC2)cc1	216902832	MORJAZAMCKZMJH-UHFFFAOYSA-N	274.408	2.685	70	40	CFIB	
CC(=O)Nc1cccc(OCc2nc(C)cc(Cl)n2)c1	217395290	DECQDSFDVRSQSM-UHFFFAOYSA-N	291.738	2.976	70	40	CFIB	
C/C(=C\OS(=O)(=O)C(F)(F)F)c1ccccc1	104190602	KPEDIYJTWHBYLA-BQYQJAHWSA-N	266.240	2.914	70	40	CFIB	
CN(C)c1ccc(S(=O)(=O)Cl)c2ccccc12	104827867	RYROYNBRZNYMLE-UHFFFAOYSA-N	269.753	2.833	70	40	CFIB	
C[C@](O)(CNC(=O)CC1CC1)c1cc2ccccc2o1	217995022	BKDYSIZWRPUKBS-INIZCTEOSA-N	273.332	2.557	70	40	CFIB	
O=S(=O)(Cl)c1ccc(CCBr)cc1	100072558	ZLQHSSKMRVRVHB-UHFFFAOYSA-N	283.574	2.552	70	40	CFIB	
CN1C(=O)CS[C@H]1c1ccn(-c2ccccc2F)c1	216704941	XPUXADICKGAZGR-AWEZNQCLSA-N	276.336	2.820	70	40	CFIB	
O=S(=O)(Cl)CCCc1ccc(Cl)cc1	103907057	NWQOUCYFULHGHS-UHFFFAOYSA-N	253.150	2.841	70	40	CFIB	
Cc1nc(Cl)c(S(=O)(=O)Cl)c(C)c1C	257197767	IUBZORLAXFUBMI-UHFFFAOYSA-N	254.138	2.588	70	40	CFIB	
CN1C(=O)CS[C@@H]1c1ccn(-c2ccccc2)c1	216704119	HKBJRNSOPVOYAD-CQSZACIVSA-N	258.346	2.681	70	40	CFIB	
Cc1ccccc1C(=O)Nc1ccn2nccc2c1	217952734	ZFWXJNZTCPYEAX-UHFFFAOYSA-N	251.289	2.895	70	40	CFIB	
O=S(=O)(Cl)c1cc(F)cc(CBr)c1	169807515	AHYQSLUEQFQFMK-UHFFFAOYSA-N	287.537	2.648	70	40	CFIB	
CN(C)c1ccc2c(S(=O)(=O)Cl)cccc2c1	95696912	MYVSLFDXOOWWTH-UHFFFAOYSA-N	269.753	2.833	70	40	CFIB	
NCCCCCCC(=O)N1CCS[C@H]2CCCC[C@H]21	161426625	QXYFNUIBZQEHDE-KGLIPLIRSA-N	284.469	2.782	70	40	CFIB	
O=C(CC1CC1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217815771	ABOJSXXTRRYGAN-GFCCVEGCSA-N	289.379	2.528	70	40	CFIB	
O=C(C1CCC1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217653170	FEFQJYOSEFHICE-HNNXBMFYSA-N	296.374	2.519	70	40	CFIB	
O=C(NCC[C@@H](O)c1ccsc1)NCc1ccccc1	217544871	FVXIVXSAMKUGLZ-CQSZACIVSA-N	290.388	2.671	70	40	CFIB	
COC(=O)c1ccc(Cn2ccc(-c3ccco3)n2)cc1	216691088	XQKFWMNRRKHDQN-UHFFFAOYSA-N	282.299	2.978	70	40	CFIB	
O=C(NCC[C@H](O)c1ccsc1)NCc1ccccc1	217544793	FVXIVXSAMKUGLZ-AWEZNQCLSA-N	290.388	2.671	70	40	CFIB	
O=C(NCCn1ccc(-c2ccsc2)n1)C1CCCC1	217883763	IQRKMGRLHYHWIA-UHFFFAOYSA-N	289.404	2.918	70	40	CFIB	
NC(=O)c1cn(C(=O)c2cccc(F)c2)c2ccccc12	216953689	HVJYXOCNRDUUFD-UHFFFAOYSA-N	282.274	2.568	70	40	CFIB	
Cc1cc2c(c(S(=O)(=O)Cl)c1C)OC(C)(C)C2	255188049	ILSJYTSNYFBLLC-UHFFFAOYSA-N	274.769	2.944	70	40	CFIB	
CCCn1ncc(S(=O)(=O)Cl)c1CO[C@@H](C)CC	408716279	KVSGRMGWRONARQ-VIFPVBQESA-N	294.804	2.536	70	40	CFIB	
CCCCn1cc(S(=O)(=O)Cl)c(COC(C)C)n1	408715448	PEUABWCTSJWPGH-UHFFFAOYSA-N	294.804	2.536	70	40	CFIB	
CN(C)C(=S)NC(=O)[C@@]12C[C@@H]3C[C@@](C)(C[C@@](C)(C3)C1)C2	217743832	JSQIBWOMRIOWLQ-RGSRECHXSA-N	294.464	2.946	70	40	CFIB	
CCCn1cc(S(=O)(=O)Cl)c(CO[C@@H](C)CC)n1	408715184	DQHBLSLYJCPXFO-VIFPVBQESA-N	294.804	2.536	70	40	CFIB	
Cc1ccc(CC(=O)NCCC2CCN(C)CC2)cc1C	216950198	URIYVRMETZLZII-UHFFFAOYSA-N	288.435	2.694	70	40	CFIB	
CCOc1ccc(Br)c(S(=O)(=O)Cl)c1	100908477	ZNWZYJKWDWVOOU-UHFFFAOYSA-N	299.573	2.775	70	40	CFIB	in-vitro
CC[C@H](CNC(=O)C1CCN(C)CC1)Cc1ccccc1	216923978	SXCCDUNCUQPWSS-HNNXBMFYSA-N	288.435	2.713	70	40	CFIB	
CC(C)(C)c1ccc(S(=O)(=O)Cl)c(Cl)n1	256055149	ZJXFUVSAMDLGPW-UHFFFAOYSA-N	268.165	2.960	70	40	CFIB	
O=S(=O)(Cl)c1ccc(C(F)(F)F)nc1Cl	100221687	ZFGVQLINMYOUSU-UHFFFAOYSA-N	280.054	2.681	70	40	CFIB	in-vitro
CC[C@H](C)n1cc(S(=O)(=O)Cl)c(COC(C)C)n1	408715205	FPEMGEAQBMZABL-VIFPVBQESA-N	294.804	2.707	70	40	CFIB	
CN1CCC(CC(=O)NC2CCCCCCC2)CC1	216897469	NZRJOPIZCDRCQM-UHFFFAOYSA-N	266.429	2.947	70	40	CFIB	
CN(C)CCNC(=O)[C@@]12C[C@@H]3C[C@@](C)(C[C@@](C)(C3)C1)C2	217444825	LRHVDGJTOKRXMB-BGOPPPGBSA-N	278.440	2.661	70	40	CFIB	
NCCCCCCC(=O)N1CCS[C@H]2CCCC[C@@H]21	161426814	QXYFNUIBZQEHDE-KBPBESRZSA-N	284.469	2.782	70	40	CFIB	
CC[C@@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccccc1	216914800	KZHLTFAZWDCGTH-HUUCEWRRSA-N	260.381	2.596	70	40	CFIB	
CCOc1ccc([C@H](C)NC(=O)[C@H]2CCCN(C)C2)cc1	216914635	KSMKOCNKJXBPRH-ZFWWWQNUSA-N	290.407	2.604	70	40	CFIB	
O=C(c1ccc(Cn2ccnc2)cc1)N1[C@H]2C=CC[C@H]1CC2	218741025	NAJRLKXIXWXUPY-IRXDYDNUSA-N	293.370	2.865	70	40	CFIB	
O=S(=O)(Cl)c1cc(F)ccc1CBr	103625667	SEMSWXJRNSFBAM-UHFFFAOYSA-N	287.537	2.648	70	40	CFIB	
Cc1ccc(N)c(CC(=O)NC2CCC(C)CC2)c1	217787218	AQJKKRZDZOBYIK-UHFFFAOYSA-N	260.381	2.815	70	40	CFIB	
CCCCOc1ccc(S(=O)(=O)Cl)c(F)c1	59106846	HTSPMPHEBLLMSO-UHFFFAOYSA-N	266.721	2.932	70	40	CFIB	
CCCCOCc1nn(C(C)C)cc1S(=O)(=O)Cl	408715552	WDPLLXXONPORSP-UHFFFAOYSA-N	294.804	2.708	70	40	CFIB	
CC(C)Oc1cccc(NC(=O)C2CCN(C)CC2)c1	216920890	UCDLBPDHIIRVKT-UHFFFAOYSA-N	276.380	2.754	70	40	CFIB	
CC(C)(C)OC(=O)N1CC(Cc2nc(C(C)(C)C)no2)C1	161048021	ORQYSMLYLUYDQA-UHFFFAOYSA-N	295.383	2.777	70	40	CFIB	
CN1CCC(CC(=O)NCCCOC2CCCCC2)CC1	216903603	OWUJUABGHXXGPR-UHFFFAOYSA-N	296.455	2.574	70	40	CFIB	
CSc1ccccc1NC(=O)[C@H]1CCCN(C)C1	216909240	GTOXDLNQIIOIRJ-NSHDSACASA-N	264.394	2.689	70	40	CFIB	
O=S(=O)(Cl)c1csc(-c2ccccc2)n1	100623448	VZEAPYOMDBBPGZ-UHFFFAOYSA-N	259.739	2.738	70	40	CFIB	in-vitro
CCCCOCc1c(S(=O)(=O)Cl)cnn1C(C)C	408716826	RJXFPHDDHPOXDJ-UHFFFAOYSA-N	294.804	2.708	70	40	CFIB	
CCOc1c(F)cc(S(=O)(=O)Cl)cc1Cl	103624752	FAZRNRKOYWZPCD-UHFFFAOYSA-N	273.112	2.805	70	40	CFIB	
CCN(CC)C(=O)CCc1c(C)[nH]c2ccccc2c1=O	217432117	RXBLEBHGGQMCEF-UHFFFAOYSA-N	286.375	2.638	70	40	CFIB	
COc1ccc(S(=O)(=O)Cl)c(C(F)(F)F)c1	59354372	XOLLWGQBRDQKPX-UHFFFAOYSA-N	274.647	2.642	70	40	CFIB	
COc1ccc(Cl)c(OS(=O)(=O)C(F)(F)F)c1	143020570	BNJGXBNSPHZGTH-UHFFFAOYSA-N	290.646	2.577	70	40	CFIB	
CC(=O)Nc1ccc(OCc2nc(C)cc(Cl)n2)cc1	217395505	HDLQJTRWWQWRHM-UHFFFAOYSA-N	291.738	2.976	70	40	CFIB	
CC(C)COc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]	103693958	UWENKLPBCAHUOL-UHFFFAOYSA-N	293.728	2.557	70	40	CFIB	
Cc1ccc(C(=O)n2cc(C(N)=O)c3ccccc32)cc1	216950088	CRGZISNACJSISK-UHFFFAOYSA-N	278.311	2.737	70	40	CFIB	
O=C(Cc1cccs1)Nc1ccn2nccc2c1	217955141	RVXOYMWCAXXCGZ-UHFFFAOYSA-N	257.318	2.577	70	40	CFIB	
CC[C@H](NC(=O)CC1CCN(C)CC1)c1ccccc1	216901844	BUOOYGFOMRVJDW-INIZCTEOSA-N	274.408	2.986	70	40	CFIB	
CCCCOc1cc(S(=O)(=O)Cl)ccc1C#N	117592363	RPKLOCKDPWMQRC-UHFFFAOYSA-N	273.741	2.665	70	40	CFIB	
C[C@H](c1ccc(S(=O)(=O)Cl)cc1)C(F)F	45328563	YYASCGZVDHKVIC-ZCFIWIBFSA-N	254.685	2.983	70	40	CFIB	
COc1cc(S(=O)(=O)Cl)c(C)cc1Br	642887006	BOTQXQSTWUVUMP-UHFFFAOYSA-N	299.573	2.694	70	40	CFIB	
COc1cc(C(F)(F)F)cc(S(=O)(=O)Cl)c1	100113279	JCJFHWJIWNJCOC-UHFFFAOYSA-N	274.647	2.642	70	40	CFIB	in-vitro
CC(C)Oc1ncc(Br)cc1[B-](F)(F)F	642814441	IXTOCHGBJSHMOR-UHFFFAOYSA-N	282.876	2.686	70	40	CFIB	
CO[C@@H](C)c1ccc(S(=O)(=O)Cl)cc1Cl	103701074	MADMVVIFJCSRFM-LURJTMIESA-N	269.149	2.975	70	40	CFIB	
O=C(Nc1cnn(CC2CCOCC2)c1)[C@H]1CC=CCC1	218225297	QDXNYZCJUDGFIV-AWEZNQCLSA-N	289.379	2.605	70	40	CFIB	
COc1ccc(CCC(=O)Nc2ccn3nccc3c2)cc1	217955796	OBPNIDATJPCLPE-UHFFFAOYSA-N	295.342	2.914	70	40	CFIB	
COc1cc(Cl)c(S(=O)(=O)F)cc1Cl	105435811	IUNXSZQESRGYNC-UHFFFAOYSA-N	259.085	2.660	70	40	CFIB	
CC[C@H](NC(=O)[C@H]1CCCN(C)C1)c1ccccc1	216914882	KZHLTFAZWDCGTH-GJZGRUSLSA-N	260.381	2.596	70	40	CFIB	
CCOc1ccc([C@@H](C)NC(=O)C2CCN(C)CC2)cc1	216922870	MTQNENRHBNVNJK-CYBMUJFWSA-N	290.407	2.604	70	40	CFIB	
O=S(=O)(Cl)c1cccc(CBr)c1F	169809337	FEMVAPNNTYZLQJ-UHFFFAOYSA-N	287.537	2.648	70	40	CFIB	
O=S(=O)(Cl)c1ccc(-c2ccc(Cl)nn2)s1	100290098	OMIBGPNXGDANBA-UHFFFAOYSA-N	295.172	2.786	70	40	CFIB	
CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccn1	217637861	ZYEQLOCABHWNDK-FOSCPWQOSA-N	262.378	2.580	70	40	CFIB	
O=S(=O)(Cl)c1ccc(CBr)c(F)c1	103625680	MECXTTJLNOHGEO-UHFFFAOYSA-N	287.537	2.648	70	40	CFIB	
CC(C)(C)O[C](O)N1CCC([B-](F)(F)F)CC1	1772717808	JDUMDSOSSQBFJS-UHFFFAOYSA-N	253.073	2.934	70	40	CFIB	
Cc1cccc(NC(=O)[C@@]23CC[C@](C)([C@@H](O)C2)C3(C)C)n1	218009957	FJTPQATVDCHQJG-JCURWCKSSA-N	288.391	2.906	70	40	CFIB	
CC(=O)N1CCC[C@H](c2nnc(-c3ccccc3F)o2)C1	216644837	YELVIWZVWRBVPC-NSHDSACASA-N	289.310	2.602	70	40	CFIB	
Cc1nc(-c2ccccc2)ccc1S(=O)(=O)Cl	100102203	KFNNFAYGJZOQJF-UHFFFAOYSA-N	267.737	2.985	70	40	CFIB	
O=S(=O)(Cl)c1ccc(F)cc1CBr	169807511	HMXKAEULKSUCQW-UHFFFAOYSA-N	287.537	2.648	70	40	CFIB	
CC[C@@H](CNC(=O)[C@@H]1CCCN(C)C1)Cc1ccccc1	216917248	JSIOGBUFVPAZPK-NVXWUHKLSA-N	288.435	2.713	70	40	CFIB	
O=C(NCc1cccs1)Nc1ccn2nccc2c1	217959550	IPVNWIBQUMISSV-UHFFFAOYSA-N	272.333	2.718	70	40	CFIB	
CN1CCC(C(=O)NCCSC2CCCCC2)CC1	216920152	KSTDIZOVGMGPOG-UHFFFAOYSA-N	284.469	2.510	70	40	CFIB	
CCn1c(C)c(S(=O)(=O)Cl)c2ccccc21	100656137	CLCNUIJWGFRDNA-UHFFFAOYSA-N	257.742	2.897	70	40	CFIB	
O=S(=O)(Cl)c1cccc2cnc(Cl)cc12	59242534	WAPHERBGYAQREJ-UHFFFAOYSA-N	262.117	2.816	70	40	CFIB	
Cc1c(Cl)cccc1OS(=O)(=O)C(F)(F)F	247815354	CJFHDHQDXPKOSE-UHFFFAOYSA-N	274.647	2.877	70	40	CFIB	
C[C@H](CCO)Nc1ccnc2c(F)cc(F)cc12	159568006	APQIFEXDRPQDCB-MRVPVSSYSA-N	252.264	2.696	70	40	CFIB	
C/C(=C/OS(=O)(=O)C(F)(F)F)c1ccccc1	104190604	KPEDIYJTWHBYLA-FPLPWBNLSA-N	266.240	2.914	70	40	CFIB	
C=CCOc1cc(S(=O)(=O)Cl)ccc1Cl	225784141	YHHORZLBDCOVRC-UHFFFAOYSA-N	267.133	2.832	70	40	CFIB	
CC[C@@H](NC(=O)[C@H]1CCCN(C)C1)c1ccccc1	216914854	KZHLTFAZWDCGTH-LSDHHAIUSA-N	260.381	2.596	70	40	CFIB	
Cc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)c(C)c1	216846021	XXRMKEVTIPNFGV-UHFFFAOYSA-N	297.406	2.589	70	40	CFIB	
N=C(N)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	217746595	BTKKAEIHADLSEX-UHFFFAOYSA-N	279.649	2.623	70	40	CFIB	
O=S(=O)(Cl)/C=C/c1cccc(Br)c1	100404958	UHHJKZNXIYSLNZ-SNAWJCMRSA-N	281.558	2.988	70	40	CFIB	
COC(=O)c1sc(N2CCCC2)nc1C(F)(F)F	218732233	YVRWTGXSFAPBAL-UHFFFAOYSA-N	280.271	2.549	70	40	CFIB	
O=C(C1CCC1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217812550	DATCFJUHJYGRIP-LLVKDONJSA-N	289.379	2.528	70	40	CFIB	
O=S(=O)(Cl)c1cc(CBr)ccc1F	103625672	UUVQWISGYNOLMZ-UHFFFAOYSA-N	287.537	2.648	70	40	CFIB	
Cc1ccc(CC(=O)N2[C@@H](C)CCC[C@H]2C)c(N)c1	217779021	JIHVLFFSMRBGPC-BETUJISGSA-N	260.381	2.909	70	40	CFIB	
CCCCCn1nc(C)c(S(=O)(=O)Cl)c1C	103612755	PUVHLCUWVNFRHV-UHFFFAOYSA-N	264.778	2.618	70	40	CFIB	
CO[C@H](c1ccc(S(=O)(=O)Cl)cc1)C(C)C	103670449	DYACMVRBFXFJLI-NSHDSACASA-N	262.758	2.958	70	40	CFIB	
COc1ccc([C@H](C)NC(=O)CC2CCN(C)CC2)cc1	216901414	UKUJBGUGZFPJKJ-ZDUSSCGKSA-N	290.407	2.604	70	40	CFIB	
Cc1ccccc1OCC(=O)Nc1ccn2nccc2c1	217954612	FAMWRCGEZXHSAS-UHFFFAOYSA-N	281.315	2.660	70	40	CFIB	
O=S(=O)(Cl)c1c(Cl)cnn1C1CCCC1	100804769	SINDCHQQRDKKGX-UHFFFAOYSA-N	269.153	2.579	70	40	CFIB	
O=S(=O)(Cl)c1cccnc1N1CCc2ccccc21	97952693	NYRSGZSNZVHOHX-UHFFFAOYSA-N	294.763	2.703	70	40	CFIB	
O=S(=O)(Cl)[C@H]1C[C@@H]1c1ccc(Br)cc1	105566301	GYSFDMJYKUFIMQ-BDAKNGLRSA-N	295.585	2.874	70	40	CFIB	
Cc1nc(Nc2ccccc2C)cc(N2CCN(C)CC2)n1	216848251	OHMZAXZYCAGZCQ-UHFFFAOYSA-N	297.406	2.589	70	40	CFIB	
O=C(NCC[C@H](O)c1ccsc1)NCc1cccs1	217545331	BPUJRAFVJBTTRC-LBPRGKRZSA-N	296.417	2.733	70	40	CFIB	
CCCCOCc1nn(CCC)cc1S(=O)(=O)Cl	408715166	CTNILFKMCANXDG-UHFFFAOYSA-N	294.804	2.537	70	40	CFIB	
CC(C)SCc1cccc(NC(=O)[C@@H]2CCNC2)c1	160429988	RVCRIMHPRCPMJL-CYBMUJFWSA-N	278.421	2.876	70	40	CFIB	
COCCCc1cc(O)nc(-c2ccc(C)cc2)n1	217788128	XCRQEUGXHROQFL-UHFFFAOYSA-N	258.321	2.737	70	40	CFIB	
O=C(Nc1ccc(S(=O)(=O)F)cc1)Oc1ccccc1	104103722	FMLLPQGRQRAMCN-UHFFFAOYSA-N	295.291	2.956	70	40	CFIB	
CC(C)(C)OC(=O)Nc1ncncc1C(F)(F)F	218730088	NPTXUOWBOZCXDT-UHFFFAOYSA-N	263.219	2.842	70	40	CFIB	
COc1ccccc1-c1cnc(-c2cnc(C)nc2)[nH]1	216626325	ZFOPMEDDOWYNJW-UHFFFAOYSA-N	266.304	2.851	70	40	CFIB	
Cc1cc(C)n(-c2ccc(S(=O)(=O)Cl)cc2C)n1	103695147	RGCAEOQQWFKKGN-UHFFFAOYSA-N	284.768	2.725	70	40	CFIB	
CC(C)Oc1cccc(NC(=O)[C@@H]2CCCN(C)C2)c1	216909668	MKAJAEVYRRMIGS-CYBMUJFWSA-N	276.380	2.754	70	40	CFIB	
Cc1cc(OC(F)(F)F)ccc1S(=O)(=O)Cl	103625608	VJBLEBINYONYCQ-UHFFFAOYSA-N	274.647	2.821	70	40	CFIB	
CCc1sc2ncccc2c1S(=O)(=O)Cl	137057496	OPLADHRUBQOCLO-UHFFFAOYSA-N	261.755	2.786	70	40	CFIB	
O=C(CC1CC1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217815863	ABOJSXXTRRYGAN-LBPRGKRZSA-N	289.379	2.528	70	40	CFIB	
CO[C@H](C)c1ccc(S(=O)(=O)Cl)cc1Cl	103701077	MADMVVIFJCSRFM-ZCFIWIBFSA-N	269.149	2.975	70	40	CFIB	
CC[C@@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccc(C)cc1	216914925	WWVSVGKLDFXBQO-HZPDHXFCSA-N	274.408	2.904	70	40	CFIB	
CCOc1ccc2c(c1)sc(=N)n2CCSC	217429369	MBPNQGGGYBPHGK-UHFFFAOYSA-N	268.407	2.944	70	40	CFIB	
Cc1nc(-c2ccc(S(=O)(=O)Cl)cc2)co1	59222016	HPSZYMHIXLWICC-UHFFFAOYSA-N	257.698	2.578	70	40	CFIB	in-vitro
Cc1nn(CC(F)(F)F)c(C)c1NC1=NCCC1	217804201	KUMKSISRSIMMBD-UHFFFAOYSA-N	260.263	2.666	70	40	CFIB	
COCCNC(=O)NCC1(c2ccsc2)CCCC1	217485896	VPLLHGWZXZUEPI-UHFFFAOYSA-N	282.409	2.506	70	40	CFIB	
O=S(=O)(Cl)c1cccc(SC(F)F)c1	100102875	QTSXKBMUJDNOJQ-UHFFFAOYSA-N	258.698	2.929	70	40	CFIB	
CC[C@H](C)Oc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]	103693971	JUCPDUFPHFUHBJ-ZETCQYMHSA-N	293.728	2.700	70	40	CFIB	
CN1CCC[C@H](C(=O)NCCCSC2CCCCC2)C1	216916487	HBGAAWQWAOVISH-AWEZNQCLSA-N	298.496	2.900	70	40	CFIB	
COc1cc2c(cc1S(=O)(=O)Cl)CCCC2	144016458	KBCNRKZRISOYSR-UHFFFAOYSA-N	260.742	2.502	70	40	CFIB	
COc1cc(C)c(Br)cc1S(=O)(=O)Cl	100655170	PMIXVEUYCURXMB-UHFFFAOYSA-N	299.573	2.694	70	40	CFIB	
CC[C@@H](C)n1cc(S(=O)(=O)Cl)c(COC(C)C)n1	408715204	FPEMGEAQBMZABL-SECBINFHSA-N	294.804	2.707	70	40	CFIB	
O=[N+]([O-])c1cccc2c(S(=O)(=O)Cl)cccc12	100505194	IAWRQTFJGYLKCA-UHFFFAOYSA-N	271.681	2.676	70	40	CFIB	
Cc1cc2c(cc1S(=O)(=O)Cl)CC(C)(C)O2	255187606	FOXKBQZVPDMEJZ-UHFFFAOYSA-N	260.742	2.636	70	40	CFIB	
Cc1cc(Cl)c(S(=O)(=O)Cl)c(Cl)n1	242648780	RHJSZRDFAMZQLC-UHFFFAOYSA-N	260.529	2.624	70	40	CFIB	
Fc1cc(Br)c([B-](F)(F)F)cc1F	307555694	IQFCPOVDVSAMCF-UHFFFAOYSA-N	259.788	2.782	70	40	CFIB	
CC(C)c1ccc(S(=O)(=O)Cl)c(Cl)n1	256055109	ZGAXISDSZIYKOI-UHFFFAOYSA-N	254.138	2.786	70	40	CFIB	
CC(C)(C)C(=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217653344	NFCAEYWRSBMZMC-CQSZACIVSA-N	298.390	2.765	70	40	CFIB	
O=C1O[C@@]2(CCCN(C(=O)c3ccco3)C2)c2ccccc21	217552821	QOOKCQOGQJTHMZ-QGZVFWFLSA-N	297.310	2.582	70	40	CFIB	
O=C1O[C@]2(CCCN(C(=O)c3ccco3)C2)c2ccccc21	217552898	QOOKCQOGQJTHMZ-KRWDZBQOSA-N	297.310	2.582	70	40	CFIB	
O=S(=O)(Oc1cccc(Cl)c1F)C(F)(F)F	245482609	SZDRYWWJSSWGFI-UHFFFAOYSA-N	278.610	2.708	70	40	CFIB	
CC(=O)Nc1ccccc1OCc1nc(C)cc(Cl)n1	217395399	BRCQRWKLTOBCCS-UHFFFAOYSA-N	291.738	2.976	70	40	CFIB	
O=C(COc1ccccc1)NCCCc1ccc(F)cc1	217821593	SSKBBADGAUCLSX-UHFFFAOYSA-N	287.334	2.954	70	40	CFIB	
NC(=O)c1cn(Cc2cccc(F)c2)c2ccccc12	216946970	DMIPYKUHISGRRN-UHFFFAOYSA-N	268.291	2.928	70	40	CFIB	
Cc1ccc(SCCNC(=O)[C@H]2CCCN(C)C2)cc1	216905869	JOKOWLGGGPTKQX-AWEZNQCLSA-N	292.448	2.545	70	40	CFIB	
CCOc1cc(S(=O)(=O)Cl)ccc1Br	100757930	LNLQUIIWZBIYKK-UHFFFAOYSA-N	299.573	2.775	70	40	CFIB	
Cc1ccc(CC(=O)N2C[C@@H](C)C[C@H](C)C2)c(N)c1	217778858	RBLXKBWYRDDINO-STQMWFEESA-N	260.381	2.624	70	40	CFIB	
O=C(Nc1ccc2c(c1)OCO2)Nc1ccn2nccc2c1	217959009	OWBVGCRENSGQCO-UHFFFAOYSA-N	296.286	2.707	70	40	CFIB	
Cc1cc(-c2csc(S(=O)(=O)Cl)c2)on1	100484362	YEFOVEDTGMUORL-UHFFFAOYSA-N	263.727	2.639	70	40	CFIB	
CC[C@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccccc1	216914829	KZHLTFAZWDCGTH-CABCVRRESA-N	260.381	2.596	70	40	CFIB	
Cc1c(C(N)=O)c2ccccc2n1C(=O)c1cccc(F)c1	216953662	IRAHOBSPBOHQQE-UHFFFAOYSA-N	296.301	2.876	70	40	CFIB	
CC[C@@H](NC(=O)[C@H]1CCCN(C)C1)c1ccc(C)cc1	216914972	WWVSVGKLDFXBQO-JKSUJKDBSA-N	274.408	2.904	70	40	CFIB	
CCOc1cccc(NC(=O)CC2CCN(C)CC2)c1	216899784	OARDRNAIUIFNBR-UHFFFAOYSA-N	276.380	2.756	70	40	CFIB	
COCCCc1cc(O)nc(-c2ccccc2C)n1	217788348	UDESGAWTOZOMLD-UHFFFAOYSA-N	258.321	2.737	70	40	CFIB	
O=C1O[C@]2(CCCN(C(=O)c3ccoc3)C2)c2ccccc21	217604008	QQSLJZVEDSDLBZ-KRWDZBQOSA-N	297.310	2.582	70	40	CFIB	
CCOc1ccc(S(=O)(=O)Cl)cc1Cl	59108087	ZUEFLGZPTUQXET-UHFFFAOYSA-N	255.122	2.666	70	40	CFIB	
CC[C@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccc(C)cc1	216914944	WWVSVGKLDFXBQO-CVEARBPZSA-N	274.408	2.904	70	40	CFIB	
Cc1ccc(N)c(CC(=O)N2C[C@@H](C)C[C@H](C)C2)c1	217785286	CIALORVZGIOENH-STQMWFEESA-N	260.381	2.624	70	40	CFIB	
Cc1ccc(COc2cccc(-c3nnc(NN)o3)c2)cc1	216801660	NPKPLQZBESMMGL-UHFFFAOYSA-N	296.330	2.910	70	40	CFIB	
Cc1nn(C2CCCCC2)c(C)c1S(=O)(=O)Cl	103116145	MSPLOIRPGLEZEQ-UHFFFAOYSA-N	276.789	2.933	70	40	CFIB	
CCOc1ccc(S(=O)(=O)Cl)c(Br)c1	59107092	QZBGXCNGNFNCNQ-UHFFFAOYSA-N	299.573	2.775	70	40	CFIB	
C[C@@H](CCc1ccccc1)NC(=O)CC1CCN(C)CC1	216897370	GDKFIOMCYIHJOC-HNNXBMFYSA-N	288.435	2.856	70	40	CFIB	
CCCn1ncc(S(=O)(=O)Cl)c1CO[C@H](C)CC	408716278	KVSGRMGWRONARQ-SECBINFHSA-N	294.804	2.536	70	40	CFIB	
COc1ccc(OC(F)(F)F)cc1S(=O)(=O)Cl	103624743	QPIFPMUFEBZLHJ-UHFFFAOYSA-N	290.646	2.521	70	40	CFIB	
COc1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1	116105397	OHCUFMQUNOVCRA-UHFFFAOYSA-N	290.646	2.577	70	40	CFIB	
Clc1cccc(Cn2cc([C@H]3OCCS3)nn2)c1	216749657	MWIGSMVBRAXFNZ-LBPRGKRZSA-N	281.768	2.742	70	40	CFIB	
O=S(=O)(Cl)Cc1ccccc1OC(F)(F)F	100005840	BICRWGINZIMNCC-UHFFFAOYSA-N	274.647	2.654	70	40	CFIB	
COc1cc(C)c(S(=O)(=O)Cl)cc1Cl	100557497	YWTBQIAYXMJONI-UHFFFAOYSA-N	255.122	2.585	70	40	CFIB	in-vitro
CCN1CCC[C@H]1CCCNC(=O)OC(C)(C)C	218325274	GLAKBSJGJIVCDB-GFCCVEGCSA-N	256.390	2.776	70	40	CFIB	
CC(C)C[C@H](N)C(=O)N(C)Cc1cc2ccccc2o1	161413231	CITKMWSJKGKNTC-AWEZNQCLSA-N	274.364	2.765	70	40	CFIB	
C[C@@H](F)CO[Si](Cl)(OC[C@@H](C)F)OC[C@@H](C)F	1083812550	RMSYKIFGNUEVSS-IWSPIJDZSA-N	294.773	2.785	70	40	CFIB	
COc1ccc(CNC(=O)Nc2ccn3nccc3c2)cc1	217959793	HORDTZHDNMYERC-UHFFFAOYSA-N	296.330	2.665	70	40	CFIB	
Cc1ccc(Cl)cc1OS(=O)(=O)C(F)(F)F	248066978	FCKNSULUKFYFCG-UHFFFAOYSA-N	274.647	2.877	70	40	CFIB	
CC[C@H](C)n1ncc(S(=O)(=O)Cl)c1COC(C)C	408717223	XBJMQINKWKRKOY-VIFPVBQESA-N	294.804	2.707	70	40	CFIB	
Cc1ncc(-c2ncc(-c3ccc(F)cc3)[nH]2)cn1	216626118	UEXPDDIUHKCUMT-UHFFFAOYSA-N	254.268	2.981	70	40	CFIB	
Cc1cccc(-n2ccc([C@@H]3SCC(=O)N3C)c2)c1	216704344	QEKIZLQKZCNMQN-HNNXBMFYSA-N	272.373	2.990	70	40	CFIB	
Cc1nc(Cl)c(Cl)cc1S(=O)(=O)Cl	225740003	PHZOUKICJNKMPC-UHFFFAOYSA-N	260.529	2.624	70	40	CFIB	
O=C(CCl)Oc1c(F)c(F)c(F)c(F)c1F	100634996	VVKNQIGLUQLDPD-UHFFFAOYSA-N	260.545	2.526	70	40	CFIB	
COc1cc(NC(=O)NC2CCCC2)ccc1F	160229399	BWSQVEXYGRRSEC-UHFFFAOYSA-N	252.289	2.898	70	40	CFIB	
Cc1cc(C)c(S(=O)(=O)Cl)cc1C(=O)Cl	159131999	VVZFFFWYCOTPED-UHFFFAOYSA-N	267.133	2.610	70	40	CFIB	
COc1cccc(-n2ccc([C@@H]3SCC(=O)N3C)c2)c1	216705113	WABZDMHEHRJRMU-HNNXBMFYSA-N	288.372	2.690	70	40	CFIB	
COc1cc(C(F)(F)F)c(F)c(S(=O)(=O)Cl)c1	103626021	OTELCLLTTDZQPW-UHFFFAOYSA-N	292.637	2.781	70	40	CFIB	
COc1ccc2ncc(S(=O)(=O)Cl)c(Cl)c2c1	252479188	BAPRMKXLXURLGB-UHFFFAOYSA-N	292.143	2.824	70	40	CFIB	
O=S(=O)(Cl)c1ccc(CCCCl)cc1	100613075	YKDXVAJHIMABPJ-UHFFFAOYSA-N	253.150	2.786	70	40	CFIB	
Cc1ccc(OC(F)F)cc1S(=O)(=O)Cl	100102872	QMVXRACKLPKVET-UHFFFAOYSA-N	256.657	2.524	70	40	CFIB	
CSc1cccc(NC(=O)[C@@H]2CCCN(C)C2)c1	216907439	DJJLKHNYUFADAD-LLVKDONJSA-N	264.394	2.689	70	40	CFIB	
O=S(=O)(Cl)c1cccc(OC2CCCC2)c1	103603462	DHONEXXOLAOXTA-UHFFFAOYSA-N	260.742	2.936	70	40	CFIB	
CCS(=O)(=O)N1CCCC[C@H](c2ccccc2)C1	217288236	ZFXLZSLRBKDPRL-AWEZNQCLSA-N	267.394	2.606	70	40	CFIB	
Cn1nc(CN(C(=O)C2CC2)C2CCCC2)c2c1CCC2	217908670	TWGMVRHXVRHQSD-UHFFFAOYSA-N	287.407	2.590	70	40	CFIB	
O=C(O)c1cc(Cl)cc(S(=O)(=O)Cl)c1Cl	100428967	RXTNJWLBNOOVJQ-UHFFFAOYSA-N	289.523	2.619	70	40	CFIB	
O=C(NC[C@@H]1CCCN1c1ccccc1)c1ccoc1	217845922	JYAKOOGNHUUOFG-HNNXBMFYSA-N	270.332	2.678	70	40	CFIB	
CN1CCC(CCNC(=O)c2ccc(Cl)cc2)CC1	216925502	OFPDFPFEOQYNBU-UHFFFAOYSA-N	280.799	2.802	70	40	CFIB	
Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1Cl	248139272	DYVKIKABCZYYEU-UHFFFAOYSA-N	274.647	2.877	70	40	CFIB	
O=S(=O)(Oc1cc(F)ccc1Cl)C(F)(F)F	245482542	PUEVFUIXMWKRBE-UHFFFAOYSA-N	278.610	2.708	70	40	CFIB	
CC[C@H](NC(=O)[C@H]1CCCN(C)C1)c1ccc(C)cc1	216914998	WWVSVGKLDFXBQO-HOTGVXAUSA-N	274.408	2.904	70	40	CFIB	
O=S(=O)(Oc1ccccc1C(F)(F)F)C(F)(F)F	100474318	MBDZFQGLSLLIIE-UHFFFAOYSA-N	294.172	2.934	70	40	CFIB	in-vitro
O=C(CS(=O)(=O)Cl)c1ccc(Cl)c(Cl)c1	217517296	RTMZUDVZGKFVMM-UHFFFAOYSA-N	287.551	2.745	70	40	CFIB	
CC(C)C(NC(=O)CC1CCN(C)CC1)C(C)C	216893153	ANXYCRAOZNREMS-UHFFFAOYSA-N	254.418	2.515	70	40	CFIB	
COCC[C@H](CCC(C)C)CS(=O)(=O)Cl	103704255	OVVHBLWQJGGZGP-JTQLQIEISA-N	256.795	2.644	70	40	CFIB	
N=C(N)CC(=O)Nc1ccccc1Oc1ccccc1	217752529	PLZUEWITZOEOBD-UHFFFAOYSA-N	269.304	2.743	70	40	CFIB	
COc1cc(OC(F)(F)F)ccc1S(=O)(=O)Cl	100678385	YBJZDNUASJLTHE-UHFFFAOYSA-N	290.646	2.521	70	40	CFIB	
Cn1cccc1[C@@H](O)CCNC(=O)c1cccc(Cl)c1	217933263	ABZAACPZCQVKIO-AWEZNQCLSA-N	292.766	2.532	70	40	CFIB	
O=S(=O)(F)c1c(Cl)cccc1CBr	104169022	RYYJQHAEYXBNLR-UHFFFAOYSA-N	287.537	2.893	70	40	CFIB	
COC(=O)c1ccc(Cn2ccc(-c3ccccn3)n2)cc1	216693032	ONCFXRSDOSIKJU-UHFFFAOYSA-N	293.326	2.780	70	40	CFIB	
CC[C@H](CNC(=O)[C@H]1CCCN(C)C1)Cc1ccccc1	216917327	JSIOGBUFVPAZPK-RDJZCZTQSA-N	288.435	2.713	70	40	CFIB	
Cc1cc(C)cc(Nc2cc(N3CCN(C)CC3)ncn2)c1	216846151	UOKYQWRWBDLYQL-UHFFFAOYSA-N	297.406	2.589	70	40	CFIB	
O=S(=O)(F)c1ccc(-c2nnc(-c3ccco3)o2)cc1	100511326	UZPJSLXAWDLWPQ-UHFFFAOYSA-N	294.263	2.655	70	40	CFIB	
COc1ccccc1-n1ccc([C@H]2SCC(=O)N2C)c1	216705615	BXGKMDDNTMEFKA-OAHLLOKOSA-N	288.372	2.690	70	40	CFIB	
COc1ccc(-c2cnc(-c3cnc(C)nc3)[nH]2)cc1	216626250	VQRIKPIBNVTKBT-UHFFFAOYSA-N	266.304	2.851	70	40	CFIB	
O=S(=O)(Cl)[C@H]1C[C@H]1c1ccc(Br)cc1	105566298	GYSFDMJYKUFIMQ-IUCAKERBSA-N	295.585	2.874	70	40	CFIB	
CCc1cc(=O)n(CCCOc2c(C)cccc2C)cn1	160460592	ZBUXTGGRSFBCDU-UHFFFAOYSA-N	286.375	2.892	70	40	CFIB	
Cc1ccc(OCC(C)C)cc1S(=O)(=O)Cl	103603751	RLXIYLNRFHDBQE-UHFFFAOYSA-N	262.758	2.957	70	40	CFIB	
N=C(N)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F	217752615	DZKVBNJJOMKHKG-UHFFFAOYSA-N	279.649	2.623	70	40	CFIB	
Cc1ccc([C@H](C)NC(=O)CC2CCN(C)CC2)cc1	216901495	MYMZLUVCXNUCIE-AWEZNQCLSA-N	274.408	2.904	70	40	CFIB	
ClC(Cl)(Cl)CI	115089890	KMPPLOIOXCQZAT-UHFFFAOYSA-N	259.301	2.792	70	40	CFIB	
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccccn1	68569536	KFJSLIBBYMXLTG-UHFFFAOYSA-N	289.159	2.996	70	40	CFIB	
Cc1ccc(S[C@H](C)C(=O)NC2CCN(C)CC2)cc1	216930565	VFWIOGHRRRDXAU-CYBMUJFWSA-N	292.448	2.686	70	40	CFIB	
CCOC(=O)[C@@]1(C)CC(C)=C(O[SiH2]C(C)(C)C)C1	217895145	LVLCGRRUOFVTPB-AWEZNQCLSA-N	270.445	2.942	70	40	CFIB	
O=C(NO[C@H]1CCCCO1)Nc1c(F)cc(F)cc1F	161314641	AZMJTSFTFDYDSQ-JTQLQIEISA-N	290.241	2.684	70	40	CFIB	
Cc1cc(S(=O)(=O)Cl)cc2c1NC(=O)CC2(C)C	103673212	ZSZLOYZINONZAO-UHFFFAOYSA-N	287.768	2.542	70	40	CFIB	
CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C)C2)cc1	216914551	KSMKOCNKJXBPRH-UKRRQHHQSA-N	290.407	2.604	70	40	CFIB	
CCCCOCC1(c2nc(O)cc(CC)n2)CC1	217797240	FERDAVPRDGYAIJ-UHFFFAOYSA-N	250.342	2.593	70	40	CFIB	
CC(C)(C)C(=O)N1CCC[C@]2(C1)OC(=O)c1ccccc12	217594525	RXFNJNMDGGSIEL-QGZVFWFLSA-N	287.359	2.721	70	40	CFIB	
CCC(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1	59079756	UQVSAACJSZOWHH-UHFFFAOYSA-N	267.133	2.860	70	40	CFIB	in-vitro
Cc1ccc(OC(F)(F)F)c(S(=O)(=O)Cl)c1	103625620	MZUBCESTEHWEEN-UHFFFAOYSA-N	274.647	2.821	70	40	CFIB	
O=C(NCC[C@H](O)c1ccsc1)[C@@H]1CC=CCC1	217533943	HOESVCJJUDOJMW-YPMHNXCESA-N	265.378	2.644	70	40	CFIB	
Cc1ccccc1-n1ccc([C@H]2SCC(=O)N2C)c1	216704273	SCCMUUFTFWZBMZ-OAHLLOKOSA-N	272.373	2.990	70	40	CFIB	
O=C(Nc1ccn2nccc2c1)NC1CCCCC1	217958442	HZEAACYJEYTYCG-UHFFFAOYSA-N	258.325	2.789	70	40	CFIB	
CC(C)COCc1cccc(S(=O)(=O)Cl)c1	100908779	KYYUFNLMIVGHDD-UHFFFAOYSA-N	262.758	2.787	70	40	CFIB	
O=S(=O)(Cl)[C@@H]1C[C@H]1c1ccc(Br)cc1	105566305	GYSFDMJYKUFIMQ-DTWKUNHWSA-N	295.585	2.874	70	40	CFIB	
COc1ccc([B-](F)(F)F)cc1Br	307350578	IKZFQNJQXRAAIX-UHFFFAOYSA-N	253.834	2.512	70	40	CFIB	
CC[C@@H](CNC(=O)C1CCN(C)CC1)Cc1ccccc1	216923956	SXCCDUNCUQPWSS-OAHLLOKOSA-N	288.435	2.713	70	40	CFIB	
CN1CCC(CC(=O)N(C)C2CCCCC2)CC1	216902780	SLPRASXQKLCSGK-UHFFFAOYSA-N	252.402	2.509	70	40	CFIB	
Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccccc1F	216952757	OCVWHTQPPVTIST-UHFFFAOYSA-N	296.301	2.876	70	40	CFIB	
Cc1c(C(N)=O)c2ccccc2n1C(=O)C(C)(C)C	216949375	QUSHOUCLAIPIAR-UHFFFAOYSA-N	258.321	2.735	70	40	CFIB	
CCSCc1cccc(NC(=O)[C@@H]2CCCN2)c1	161480908	SEJGJZQBXDGKDU-ZDUSSCGKSA-N	264.394	2.630	70	40	CFIB	
CCC(=O)OCO[C@@H](CCl)COCc1ccccc1	34498929	CGLSALFSKRQKTC-ZDUSSCGKSA-N	286.755	2.738	70	40	CFIB	
CCOC(=O)c1ccc(-c2ccc(F)cc2)nc1N	217692672	HALTYATZQWMNBE-UHFFFAOYSA-N	260.268	2.647	70	40	CFIB	
CC(C)SCc1cccc(NC(=O)[C@H]2CCNC2)c1	160430109	RVCRIMHPRCPMJL-ZDUSSCGKSA-N	278.421	2.876	70	40	CFIB	
O=C(NCC[C@@H](O)c1ccsc1)[C@@H]1CC=CCC1	217533871	HOESVCJJUDOJMW-DGCLKSJQSA-N	265.378	2.644	70	40	CFIB	
CC[C@@H](C)OCc1nn(C(C)C)cc1S(=O)(=O)Cl	408715433	NVFKIOVAFUQFLI-SECBINFHSA-N	294.804	2.707	70	40	CFIB	
Cc1cc(C)c(Br)c(S(=O)(=O)Cl)c1	110764685	QYZZCCOGZKLXTR-UHFFFAOYSA-N	283.574	2.993	70	40	CFIB	
C=C(Cl)COc1ccccc1S(=O)(=O)Cl	103635840	BAQXKTZIJURAQI-UHFFFAOYSA-N	267.133	2.745	70	40	CFIB	
CC(C)COc1ccc(S(=O)(=O)Cl)c(F)c1	59107098	GQYQXTCCOYYXHQ-UHFFFAOYSA-N	266.721	2.788	70	40	CFIB	
Cc1cccc(CC(=O)Nc2ccn3nccc3c2)c1	217954846	QCPKHRNCPVMBEZ-UHFFFAOYSA-N	265.316	2.824	70	40	CFIB	
Cc1nnsc1C(=O)N1CCS[C@H]1c1ccsc1	217635828	BSHGVIUTVPJIEU-NSHDSACASA-N	297.430	2.796	70	40	CFIB	
C[C@@](O)(CNC(=O)C1CC1)c1cc2ccccc2s1	217496842	HPHLALICVIVPRQ-OAHLLOKOSA-N	275.373	2.635	70	40	CFIB	
CCC1(COS(=O)(=O)C(F)(F)F)CC(C)C1	110753563	GINRJAQWDLMHPP-UHFFFAOYSA-N	260.277	2.679	70	40	CFIB	
CC(=O)N1CCC(c2nnc(-c3ccccc3F)o2)CC1	216630056	RANVAVKWXGGUKU-UHFFFAOYSA-N	289.310	2.602	70	40	CFIB	
Cc1cccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)c1	216848291	AOULXVWCTRLQSH-UHFFFAOYSA-N	297.406	2.589	70	40	CFIB	
CCc1cc(O)nc(C2(COCC(C)(C)C)CC2)n1	217797753	FCNJMYCCUXJPID-UHFFFAOYSA-N	264.369	2.839	70	40	CFIB	
CCOc1ccc(Cl)cc1CS(=O)(=O)Cl	103569868	WFDDTCGCILDJPI-UHFFFAOYSA-N	269.149	2.807	70	40	CFIB	
Nc1nc2ccc(NC(=O)COc3ccccc3)cc2s1	216786012	RWTKNSUAEMBVAP-UHFFFAOYSA-N	299.355	2.896	70	40	CFIB	
COc1cc(Cl)ccc1OS(=O)(=O)C(F)(F)F	247896193	OUBDWMVSNUFICJ-UHFFFAOYSA-N	290.646	2.577	70	40	CFIB	
CCCOc1ccc(CC)cc1S(=O)(=O)Cl	103604519	BBGJHHZPJJAMOE-UHFFFAOYSA-N	262.758	2.965	70	40	CFIB	
CC[C@@H](NC(=O)CC1CCN(C)CC1)c1ccccc1	216901810	BUOOYGFOMRVJDW-MRXNPFEDSA-N	274.408	2.986	70	40	CFIB	
CN1C(=O)CS[C@H]1c1ccn(-c2ccc(F)cc2)c1	216705048	XINRQOVBWLJYPW-AWEZNQCLSA-N	276.336	2.820	70	40	CFIB	
COc1ccc(C(=O)Nc2ccn3nccc3c2)c(OC)c1	217953076	SYGNOONUNJXHLR-UHFFFAOYSA-N	297.314	2.604	70	40	CFIB	
O=S(=O)(Oc1ccc2ccoc2c1)C(F)(F)F	100135072	YOAMRJBYHWTCNK-UHFFFAOYSA-N	266.196	2.661	70	40	CFIB	
N=C(N)CC(=O)Nc1ccc(Oc2ccccc2)cc1	217747467	OEJZEEVMJRZRAA-UHFFFAOYSA-N	269.304	2.743	70	40	CFIB	
C[C@H]1CC(=O)c2cc(S(=O)(=O)Cl)sc2S1	45328678	ULWSBNDSDFOIHY-BYPYZUCNSA-N	282.795	2.743	70	40	CFIB	
O=S(=O)(Cl)c1ccc(Cl)c2cnccc12	72399596	GSPFRFWBDZCXBV-UHFFFAOYSA-N	262.117	2.816	70	40	CFIB	in-vitro
COc1ccc(-c2nnc(N)o2)cc1OCc1ccccc1	216802166	RMVSUJCOKITKHN-UHFFFAOYSA-N	297.314	2.906	70	40	CFIB	
CC(=O)NCCn1nc(-c2ccsc2)cc1C1CC1	217877189	AARQMVCWNWOAFK-UHFFFAOYSA-N	275.377	2.625	70	40	CFIB	
CC(C)(C)OC(=O)NCc1ncc(C(F)(F)F)cn1	218730478	JKMTXQZKTZFYJF-UHFFFAOYSA-N	277.246	2.520	70	40	CFIB	
CCOc1ccccc1-n1ccc(C2OCCO2)c1	216701335	OZUSXZJEEZFSSB-UHFFFAOYSA-N	259.305	2.921	70	40	CFIB	
Cc1ncc(-c2ncc(-c3ccccc3F)[nH]2)cn1	216626047	UXKCCJBLRKWNMQ-UHFFFAOYSA-N	254.268	2.981	70	40	CFIB	
C[C@H](F)CO[Si](Cl)(OC[C@H](C)F)OC[C@@H](C)F	1083812551	RMSYKIFGNUEVSS-XHNCKOQMSA-N	294.773	2.785	70	40	CFIB	
NCCCCCCC(=O)N1CCS[C@@H]2CCCC[C@@H]21	161426718	QXYFNUIBZQEHDE-UONOGXRCSA-N	284.469	2.782	70	40	CFIB	
O=S(=O)(Cl)Cc1cccc(OC(F)(F)F)c1	104737679	KGJPIKDHOAYOHB-UHFFFAOYSA-N	274.647	2.654	70	40	CFIB	
CCS(=O)(=O)N1CCCC[C@@H](c2ccccc2)C1	217288238	ZFXLZSLRBKDPRL-CQSZACIVSA-N	267.394	2.606	70	40	CFIB	
O=C(NCCSC1CCOCC1)C1CCCCC1	217707353	RXGMYIRQKNQPPL-UHFFFAOYSA-N	271.426	2.595	70	40	CFIB	
Cc1cc(Cl)nc(Cl)c1S(=O)(=O)Cl	164379676	VPARDDQLLFHXCS-UHFFFAOYSA-N	260.529	2.624	70	40	CFIB	
CN1CCC(C(=O)NCCCSC2CCCCC2)CC1	216923553	UNHYMXTZIMQVNC-UHFFFAOYSA-N	298.496	2.900	70	40	CFIB	
O=S(=O)(Cl)[C@@H]1C[C@@H]1c1ccc(Br)cc1	105566308	GYSFDMJYKUFIMQ-RKDXNWHRSA-N	295.585	2.874	70	40	CFIB	
O=C(NCc1ccc(F)cc1)Nc1ccn2nccc2c1	217960754	OOGWDEYGOJZMEY-UHFFFAOYSA-N	284.294	2.795	70	40	CFIB	
Cc1nc(S(=O)(=O)Cl)c(-c2ccccc2)o1	100464861	ROODCHXNTOMKDI-UHFFFAOYSA-N	257.698	2.578	70	40	CFIB	in-vitro
Cc1ccc(-c2cnoc2)c(S(=O)(=O)Cl)c1	218805405	XMJDEJJRFJRCCB-UHFFFAOYSA-N	257.698	2.578	70	40	CFIB	
Cc1c(C(N)=O)c2ccccc2n1C(=O)Cc1ccccc1	216951996	CZHQPRBJJBUQIC-UHFFFAOYSA-N	292.338	2.932	70	40	CFIB	
O=C(NCC[C@@H](O)c1ccsc1)NCc1cccs1	217545406	BPUJRAFVJBTTRC-GFCCVEGCSA-N	296.417	2.733	70	40	CFIB	
CCCOCc1nn([C@@H](C)CC)cc1S(=O)(=O)Cl	408715191	DYVOXYBGTOEJRG-VIFPVBQESA-N	294.804	2.708	70	40	CFIB	
NC(=O)c1cn(Cc2ccccc2F)c2ccccc12	216946275	MQCRMVRCVUIKQD-UHFFFAOYSA-N	268.291	2.928	70	40	CFIB	
CN(C)c1ccc(-c2nn3c(C(F)F)nnc3s2)cc1	216885494	YEDKRIPQOHPLTO-UHFFFAOYSA-N	295.318	2.856	70	40	CFIB	
CCOc1cc(S(=O)(=O)Cl)ccc1Cl	100153071	FIEXEHVMPPXZAQ-UHFFFAOYSA-N	255.122	2.666	70	40	CFIB	
O=S(=O)(Cl)c1ccc(C(F)(F)F)c(F)c1	100501658	OWOFQIUPVZIKSH-UHFFFAOYSA-N	262.611	2.772	70	40	CFIB	
CCOc1ccc(S(=O)(=O)Cl)c(Cl)c1	100587519	VVCKRCNFWOLJPS-UHFFFAOYSA-N	255.122	2.666	70	40	CFIB	
Cc1ccc(-n2ccc([C@@H]3SCC(=O)N3C)c2)cc1	216704460	RBKKYHZLLMPSMC-HNNXBMFYSA-N	272.373	2.990	70	40	CFIB	
N=C(N)CC(=O)N(Cc1ccccc1)Cc1ccccc1	217749411	LJMVWIVTXSABEE-UHFFFAOYSA-N	281.359	2.541	70	40	CFIB	
Cc1nnsc1C(=O)N1CCS[C@@H]1c1ccsc1	217635749	BSHGVIUTVPJIEU-LLVKDONJSA-N	297.430	2.796	70	40	CFIB	
CC(C)OCCc1ccc(S(=O)(=O)Cl)cc1	103633229	CHQGGTIHUUOOOH-UHFFFAOYSA-N	262.758	2.582	70	40	CFIB	
CSC1C[C@@H]2CC[C@H](C1)N2C(=O)NC(C)(C)C	217711945	ZLAMBMXKXWZECR-ZACCUICWSA-N	256.415	2.853	70	40	CFIB	
C[C@@H](Cc1cccc(Cl)c1)S(=O)(=O)Cl	103906935	IVBMWYWQDSPSIR-ZETCQYMHSA-N	253.150	2.840	70	40	CFIB	
CC[C@@H](CNC(=O)[C@H]1CCCN(C)C1)Cc1ccccc1	216917300	JSIOGBUFVPAZPK-WBVHZDCISA-N	288.435	2.713	70	40	CFIB	
Cc1ccc(C)c(Nc2cc(N3CCN(C)CC3)ncn2)c1	216846063	BXZPBZNUFRGMTF-UHFFFAOYSA-N	297.406	2.589	70	40	CFIB	
Clc1cccc(Cn2cc([C@@H]3OCCS3)nn2)c1	216749614	MWIGSMVBRAXFNZ-GFCCVEGCSA-N	281.768	2.742	70	40	CFIB	
O=C(NC[C@H]1CCCN1c1ccccc1)c1ccoc1	217845846	JYAKOOGNHUUOFG-OAHLLOKOSA-N	270.332	2.678	70	40	CFIB	
COc1ccccc1CC(=O)N1[C@H]2C=CC[C@H]1CC2	218746486	RQPQZPOJDWXUTC-KBPBESRZSA-N	257.333	2.557	70	40	CFIB	
CC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3C)o2)C1	216646990	PHHMSKNMCGOHTA-CYBMUJFWSA-N	285.347	2.771	70	40	CFIB	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2([B-](F)(F)F)C1	725326556	AZKBMIUNSPRDIY-GMSGAONNSA-N	250.049	2.845	70	40	CFIB	
CC[C@@H](C)Oc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]	103693966	JUCPDUFPHFUHBJ-SSDOTTSWSA-N	293.728	2.700	70	40	CFIB	
COc1cccc(C(=O)NCC[C@H](O)c2ccsc2)c1	217526203	DZSZHNFHMJACBA-AWEZNQCLSA-N	291.372	2.610	70	40	CFIB	
O=S(=O)(Cl)c1ccc(Cl)c2cccnc12	72399603	AGMXPLMVUMLWLA-UHFFFAOYSA-N	262.117	2.816	70	40	CFIB	in-vitro
Cc1ccc(-c2cc(CS(=O)(=O)Cl)on2)cc1	59530743	HOEZINXYWURSSG-UHFFFAOYSA-N	271.725	2.719	70	40	CFIB	in-vitro
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Cl	100638242	MITFCFJALKLPLC-UHFFFAOYSA-N	269.631	2.505	70	40	CFIB	in-vitro
CC(C)(C)C(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12	217594585	RXFNJNMDGGSIEL-KRWDZBQOSA-N	287.359	2.721	70	40	CFIB	
O=[N+]([O-])c1cc(S(=O)(=O)Cl)c(Cl)cc1Cl	100558346	ASQPQOPGTPNBCD-UHFFFAOYSA-N	290.511	2.829	70	40	CFIB	
CCCCn1ncc(S(=O)(=O)Cl)c1COCCC	408716859	RXFAPGJCQOKQQI-UHFFFAOYSA-N	294.804	2.537	70	40	CFIB	
CC[C@H](C)OCc1c(S(=O)(=O)Cl)cnn1C(C)C	408716861	RXRHDNGEXBYLIH-VIFPVBQESA-N	294.804	2.707	70	40	CFIB	
COc1ccc(-n2ccc([C@H]3SCC(=O)N3C)c2)cc1	216705729	MAOYTQNYTJIPNW-OAHLLOKOSA-N	288.372	2.690	70	40	CFIB	
Cn1cccc1[C@H](O)CCNC(=O)c1ccc(Cl)s1	217933740	SRVCMHVWBLYUHD-SNVBAGLBSA-N	298.795	2.594	70	40	CFIB	
O=S(=O)(Cl)c1c(Cl)ncc(Cl)c1Cl	257197995	PJNBKOGLAIVOHO-UHFFFAOYSA-N	280.947	2.969	70	40	CFIB	
C[C@H](F)CO[Si](Cl)(OC[C@H](C)F)OC[C@H](C)F	1083812548	RMSYKIFGNUEVSS-CIUDSAMLSA-N	294.773	2.785	70	40	CFIB	
O=S(=O)(OC1=Cc2ccccc2CC1)C(F)(F)F	100103220	WVJWMRGYVRVPQU-UHFFFAOYSA-N	278.251	2.840	70	40	CFIB	
O=S(=O)(Cl)c1cccc(F)c1Br	100040451	YZXLEQLNBFIGRR-UHFFFAOYSA-N	273.510	2.516	70	40	CFIB	in-vitro
O=S(=O)(Cl)c1cc(OC(F)(F)F)ccc1F	103624740	OPJNWSWWIAWEAH-UHFFFAOYSA-N	278.610	2.652	70	40	CFIB	
CSC[C@](C)(O)CNC(=O)c1cc2ccccc2s1	217701631	XDPWGYXJRMIZEP-CQSZACIVSA-N	295.429	2.745	70	40	CFIB	
O=S(=O)(Cl)c1ccc(Cl)c(OC(F)F)c1	100102893	DZNQMDZIUCNJRD-UHFFFAOYSA-N	277.075	2.869	70	40	CFIB	
O=S(=O)(Cl)c1ccc2[nH]c3c(c2c1)CCCC3	100022210	IECUNEHTOJKUPB-UHFFFAOYSA-N	269.753	2.974	70	40	CFIB	
CCOc1ccc(Cl)c(S(=O)(=O)Cl)c1	103700329	VTYADKBJQIVNFX-UHFFFAOYSA-N	255.122	2.666	70	40	CFIB	
O=C(NCCSC1CCOCC1)Nc1ccccc1	217707590	BYEXJRBVQGZBKS-UHFFFAOYSA-N	280.393	2.720	70	40	CFIB	
Cc1nc2ncnc(Oc3ccccc3)c2nc1C	217469524	NIPXURQCQDYJSE-UHFFFAOYSA-N	252.277	2.829	70	40	CFIB	
Cc1ccc(N)c(CC(=O)N[C@@H]2CCC[C@@H](C)C2)c1	217787319	KACMFYBTMSBKNM-BXUZGUMPSA-N	260.381	2.815	70	40	CFIB	
C[C@](O)(CNC(=O)c1ccoc1)c1cc2ccccc2o1	217993161	PXHZLQOTXPRBCL-INIZCTEOSA-N	285.299	2.663	70	40	CFIB	
Cc1cccc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)c1	159718553	KHAQEWTUGSNFCV-OAHLLOKOSA-N	296.374	2.790	70	40	CFIB	
O=S(=O)(Cl)c1cccc(Cn2cc(Cl)cn2)c1	103603361	APRDJGVXKIXBBH-UHFFFAOYSA-N	291.159	2.512	70	40	CFIB	
O=C(N[C@H](c1cccnc1)C1CCOCC1)c1ccccc1	217978821	XKGCNTUUUPFXIU-KRWDZBQOSA-N	296.370	2.979	70	40	CFIB	
CC(=O)N1CCC[C@H](c2nnc(-c3ccccc3C)o2)C1	216647036	PHHMSKNMCGOHTA-ZDUSSCGKSA-N	285.347	2.771	70	40	CFIB	
CCOc1cccc(-n2ccc(C3OCCO3)c2)c1	216701404	REOVISIRMPQPMG-UHFFFAOYSA-N	259.305	2.921	70	40	CFIB	
CN1CCC[C@@H](C(=O)NCCCc2ccc(Cl)cc2)C1	216912089	ITGPFXVFYKBOGX-CQSZACIVSA-N	294.826	2.731	70	40	CFIB	
Cc1ccc(CC(=O)N2[C@H](C)CCC[C@H]2C)c(N)c1	217779112	JIHVLFFSMRBGPC-CHWSQXEVSA-N	260.381	2.909	70	40	CFIB	
C[C@H](CCc1ccccc1)NC(=O)CC1CCN(C)CC1	216897409	GDKFIOMCYIHJOC-OAHLLOKOSA-N	288.435	2.856	70	40	CFIB	
C[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(F)cc1	216901597	NYQCKTHCRSJWEW-LBPRGKRZSA-N	278.371	2.735	70	40	CFIB	
COC(=O)c1ccc(Cn2ccc(-c3ccncc3)n2)cc1	216695192	GQBHGMGXCJAYTF-UHFFFAOYSA-N	293.326	2.780	70	40	CFIB	
CN1C(=O)CS[C@H]1c1ccn(-c2cccc(F)c2)c1	216706523	LMOCIOUIDGGHGO-AWEZNQCLSA-N	276.336	2.820	70	40	CFIB	
O=S(=O)(Cl)c1cnc2ccc(F)cc2c1Cl	252496796	PRYVSVCKQIAVBG-UHFFFAOYSA-N	280.107	2.955	70	40	CFIB	
Cn1cccc1[C@H](O)CCNC(=O)c1cccc(Cl)c1	217933183	ABZAACPZCQVKIO-CQSZACIVSA-N	292.766	2.532	70	40	CFIB	
O[C@@]12C[C@H]3C[C@@H](C1)C(NCc1ccccc1)[C@H](C3)C2	217766749	AFYONXZDFSWICD-ILRPZLSSSA-N	257.377	2.716	70	40	CFIB	
Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(F)cc1	216954090	CGQHTXGQEAIASC-UHFFFAOYSA-N	296.301	2.876	70	40	CFIB	
Cc1ccc(CC(=O)NC2CCC(C)CC2)c(N)c1	217780786	WSDCNBKTCUZFNJ-UHFFFAOYSA-N	260.381	2.815	70	40	CFIB	
COc1ccc(COCC(C)C)cc1S(=O)(=O)Cl	110749385	UCHIGVOMGOMOQX-UHFFFAOYSA-N	292.784	2.795	70	40	CFIB	
CSC1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccccc1	217640775	SYCASQHTZDKNEW-NNQSOWQGSA-N	291.416	2.950	70	40	CFIB	
O=C(c1cc(-c2ccccc2)n2c1NCC2)N1CCCC1	217685090	GZBFJFFDGWMXSQ-UHFFFAOYSA-N	281.359	2.817	70	40	CFIB	
O=C(Nc1cnn(CC2CCOCC2)c1)c1ccsc1	218221897	QZJSMKHGZJHTHD-UHFFFAOYSA-N	291.376	2.624	70	40	CFIB	
COc1cc(C)c(Cl)c(C)c1S(=O)(=O)Cl	105444543	UKDYPORCIXXDLX-UHFFFAOYSA-N	269.149	2.893	70	40	CFIB	
CC[C@@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccc(OC)cc1	216915037	DHYCFQBBUCKTIV-GDBMZVCRSA-N	290.407	2.604	70	40	CFIB	
CCCn1cc(-c2ccc(S(=O)(=O)Cl)cc2)cn1	103701060	DAYPWGNCIQKUID-UHFFFAOYSA-N	284.768	2.888	70	40	CFIB	
CC(C)(C)OC(=O)NCc1cnc2c(c1)CCCC2	217781475	OYCULLYROIEMIB-UHFFFAOYSA-N	262.353	2.985	70	40	CFIB	
O=C(CC1CCCC1)NCCn1ccnc1-c1ccccn1	217857882	OJCZNLOVNFAKBV-UHFFFAOYSA-N	298.390	2.642	70	40	CFIB	
O=S(=O)(Cl)c1[nH]ncc1-c1ccc(Cl)cc1	218815768	PYEYNFPMSUBSLU-UHFFFAOYSA-N	277.132	2.658	70	40	CFIB	
Clc1ccccc1Cn1cc([C@@H]2OCCS2)nn1	216749492	VXVIHBWDQMJZRG-GFCCVEGCSA-N	281.768	2.742	70	40	CFIB	
Cc1sc(C)c(S(=O)(=O)Cl)c1-c1ccno1	100021225	HLWJGIIRUJHXOA-UHFFFAOYSA-N	277.754	2.947	70	40	CFIB	
Cc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1C	216846108	WCVFAPREJMHZDV-UHFFFAOYSA-N	297.406	2.589	70	40	CFIB	
O=C(Nc1cccs1)N[C@@H]1CCN(c2ccccn2)C1	218100698	VCLZRCJILZBHTR-LLVKDONJSA-N	288.376	2.544	70	40	CFIB	
CCC(=O)Nc1cc(S(=O)(=O)Cl)ccc1SC	225298329	USYLGENSCABEPZ-UHFFFAOYSA-N	293.797	2.685	70	40	CFIB	
FCCCO[Si](Cl)(OCCCF)OCCCF	169806543	CIFJOEMIXOWSLT-UHFFFAOYSA-N	294.773	2.789	70	40	CFIB	
Cn1c2c(c3cc(S(=O)(=O)Cl)ccc31)CCCC2	110756744	MXUGBKDBHYAADS-UHFFFAOYSA-N	283.780	2.985	70	40	CFIB	
CC[C@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccc(OC)cc1	216915061	DHYCFQBBUCKTIV-ZBFHGGJFSA-N	290.407	2.604	70	40	CFIB	
Cc1ccc([C@H](C)NC(=O)C2CCN(C)CC2)c(C)c1	216922961	PTLNEMDKBMHLGJ-AWEZNQCLSA-N	274.408	2.822	70	40	CFIB	
O=C(/C=C/c1ccccc1)NCCSC1CCOCC1	217699925	VRKCNAMWWFVWRU-VOTSOKGWSA-N	291.416	2.728	70	40	CFIB	
COC(=O)c1ccc(Cn2ccc(-c3cccnc3)n2)cc1	216694102	XGXJZOHQZYZSGB-UHFFFAOYSA-N	293.326	2.780	70	40	CFIB	
CC(=O)Nc1ccc(C(=O)N2[C@H]3C=CC[C@H]2CC3)cc1	218721801	CFRAUKOEYNDMRZ-GJZGRUSLSA-N	270.332	2.578	70	40	CFIB	
O=C(CS(=O)(=O)Cl)c1ccc(Cl)cc1Cl	217517392	KUDHKMFECRVNBT-UHFFFAOYSA-N	287.551	2.745	70	40	CFIB	
O=S(=O)(Cl)c1cc(Cl)ccc1OC(F)F	100102868	MZJHCKWXCWYMPJ-UHFFFAOYSA-N	277.075	2.869	70	40	CFIB	in-vitro