smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ncc(-c2nnc(C3CCN(C(=O)c4cccs4)CC3)o2)cn1	216638049	FATHPZVMSHNISI-UHFFFAOYSA-N	355.423	2.916	70	40	FFIB	
O=C(NCCn1ccc(-c2ccsc2)n1)c1cnn(-c2ccccc2)n1	217882581	JLNBMOHGEUQCFZ-UHFFFAOYSA-N	364.434	2.622	70	40	FFIB	
C[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)CCO2)c1cc2ccccc2o1	217999630	XKIAORVUGJUDQL-LJQANCHMSA-N	373.430	2.554	70	40	FFIB	
COc1cccc(Cn2cc([C@H]3OCCN3c3cccc(OC)c3)nn2)c1	216765763	ISQXSTDRZLDXOX-HXUWFJFHSA-N	366.421	2.879	70	40	FFIB	
O=[N+]([O-])c1cc(Br)ccc1OS(=O)(=O)C(F)(F)F	222186477	YGHKVPJQZSKBBL-UHFFFAOYSA-N	350.068	2.586	70	40	FFIB	
O=C(NCCC1=CCCCC1)c1cn(C[C@H](O)c2ccccc2F)nn1	217475164	ZRBZOXCXQNMDJF-SFHVURJKSA-N	358.417	2.771	70	40	FFIB	
O=S(=O)(NCCSC1CCOCC1)c1ccc(C(F)(F)F)cc1	217710591	SGKKHYXTMCLLFY-UHFFFAOYSA-N	369.430	2.896	70	40	FFIB	
COc1cccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccco3)nn2)c1	216684992	QLGPLYCIRZJPIA-GOSISDBHSA-N	370.434	2.702	70	40	FFIB	
Cc1ccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1	218233237	STYOMOKRAPFCSG-QGZVFWFLSA-N	374.506	2.899	70	40	FFIB	
Cc1ncncc1-c1nnc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)o1	216661032	FJQPATCVKADVAD-INIZCTEOSA-N	363.421	2.784	70	40	FFIB	
COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cc1cccs1	217874246	HYPIRUHEKQONON-DOMZBBRYSA-N	363.410	2.651	70	40	FFIB	
O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NC[C@H]1C[C@@H]2C=C[C@H]1C2	218103029	UWBBAXWNGNZFPC-XBVQOTNRSA-N	371.872	2.829	70	40	FFIB	
Cc1ncc(-c2nnc([C@@H]3CCCN(C(=O)Cc4ccccc4)C3)o2)cn1	216658317	RDKDCZCWZBPDIN-MRXNPFEDSA-N	363.421	2.784	70	40	FFIB	
Cc1cc([N+](=O)[O-])cc(Br)c1OS(=O)(=O)C(F)(F)F	103631735	XROGYOMSLQRTCV-UHFFFAOYSA-N	364.095	2.894	70	40	FFIB	in-vitro
COc1ccc(CCC(=O)NCCn2ccnc2-c2ccccn2)cc1	217860506	ODWFNBRBWIBNJB-UHFFFAOYSA-N	350.422	2.703	70	40	FFIB	
CSc1ccc(-c2noc(C3CCN(S(C)(=O)=O)CC3)n2)cc1	216671037	DBYXXWMXQFZZIM-UHFFFAOYSA-N	353.469	2.598	70	40	FFIB	
O=S(=O)(NC[C@H]1CCCN1c1nc2ccccc2o1)c1cccs1	217698509	IYPCCCXXONYPFV-GFCCVEGCSA-N	363.464	2.837	70	40	FFIB	
O=C(c1cc2cc(F)ccc2s1)N1CC(N2C(=O)CSC2=O)C1	217745310	YBBCHFVFIVPOMW-UHFFFAOYSA-N	350.396	2.560	70	40	FFIB	
COc1cc(C)c(C)cc1S(=O)(=O)NCC[C@@H](O)c1ccsc1	217538184	KDJYGNMFKSKJJJ-CQSZACIVSA-N	355.481	2.776	70	40	FFIB	
CN1C(=O)c2ccccc2N(C)[C@@H]1c1cn(Cc2ccccc2F)nn1	216757501	AMSYZOLZEQBLCZ-SFHVURJKSA-N	351.385	2.686	70	40	FFIB	
Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2cc3ccccc3o2)cc1F	218002865	VDJVQVJCSOZVSD-HXUWFJFHSA-N	370.380	2.843	70	40	FFIB	
COc1ccc([Si](F)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1	195772844	HSFKUZOMXVDMQQ-UHFFFAOYSA-N	368.480	2.649	70	40	FFIB	
COc1ccc(CNC(=O)/C=C/c2ccc3c(c2)OCO3)c(OC)c1OC	217927505	YUGXEWKJSQJRLG-WEVVVXLNSA-N	371.389	2.771	70	40	FFIB	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)F)cc1	100482137	LZWWYRHJDBEPKN-KMKOMSMNSA-N	350.327	2.905	70	40	FFIB	
COC1CCN(C2CCN(C(=O)Cc3cn(C)c4ccccc34)CC2)CC1	217774385	KZYNGLGUUSNERU-UHFFFAOYSA-N	369.509	2.823	70	40	FFIB	
O=S(=O)(F)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C3CC3)C2)cc1	1776007436	CCVRLHGAIGQSJW-QWHCGFSZSA-N	361.460	2.592	70	40	FFIB	
CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	104169661	OSSPYNMXRMVTFE-UHFFFAOYSA-N	367.358	2.917	70	40	FFIB	
Cc1ccc(-c2noc(CNC(=O)[C@@H]3COc4ccccc4O3)n2)cc1	218300572	BQEOUEWHXNHSJZ-INIZCTEOSA-N	351.362	2.501	70	40	FFIB	
CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2	218085701	IUEDJAFLEBGWOD-TWMKSMIVSA-N	360.527	2.955	70	40	FFIB	
COc1ccc(Br)c(C(=O)NCC[C@@H](O)c2cccn2C)c1	217937418	RLXHZUUWKAYQIK-OAHLLOKOSA-N	367.243	2.650	70	40	FFIB	
O=C(NCc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)F)c1	100482538	YRKRZQSEVHDLPG-UHFFFAOYSA-N	353.331	2.575	70	40	FFIB	
CS(=O)(=O)Nc1cccc(C(=O)NCCOc2ccccc2Cl)c1	159409471	ATQMDTFUMRCGMW-UHFFFAOYSA-N	368.842	2.520	70	40	FFIB	
Cc1nc(CN2CCC(CNC(=O)N(C)Cc3cccn3C)CC2)oc1C	160261094	OAWGVUROJUJYDE-UHFFFAOYSA-N	373.501	2.684	70	40	FFIB	
Cc1ccc(CCC(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1F	217790952	RQSBEYWWWBMSDB-UHFFFAOYSA-N	364.442	2.753	70	40	FFIB	
O=C(/C=C/c1ccc(Cl)cc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1	217730047	SGNKHNCKXBIBGZ-JSMQFAGNSA-N	370.836	2.515	70	40	FFIB	
O=C(CCc1ccc(C(F)(F)F)cc1)NCC[C@H](O)C1CCOCC1	217921779	KYHBTQMIEOAFAI-INIZCTEOSA-N	359.388	2.932	70	40	FFIB	
Cc1ncc(-c2nnc([C@@H]3CCCN(C(=O)c4cccs4)C3)o2)cn1	216658758	LZRCJIJUPWQURJ-GFCCVEGCSA-N	355.423	2.916	70	40	FFIB	
Cc1ncc(-c2nnc([C@H]3CCCN(C(=O)Cc4ccccc4)C3)o2)cn1	216658363	RDKDCZCWZBPDIN-INIZCTEOSA-N	363.421	2.784	70	40	FFIB	
O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1cnc2ccccc2n1	218120216	VSMDKIMPLDQHDD-ZDUSSCGKSA-N	353.451	2.733	70	40	FFIB	
COc1ccc(S(=O)(=O)Cl)cc1CNC(=O)c1ccc(F)cc1	100027190	PTNDQWGDOYOAEW-UHFFFAOYSA-N	357.790	2.692	70	40	FFIB	
Cc1ncncc1-c1nnc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)o1	216660483	FJQPATCVKADVAD-MRXNPFEDSA-N	363.421	2.784	70	40	FFIB	
CN1CCC(CCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1	217030651	XQTMOQBJRZWLCL-UHFFFAOYSA-N	361.505	2.886	70	40	FFIB	
COc1cccc(C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)c1	217940623	NWNGOUUPBQBIRW-UHFFFAOYSA-N	369.377	2.692	70	40	FFIB	
O=S(=O)(NC[C@@H]1CCCN(c2nccs2)C1)c1ccccc1Cl	218178384	RUVCPUWINNTKBN-LBPRGKRZSA-N	371.915	2.991	70	40	FFIB	
COc1ccc(CN2CCO[C@@H]2c2cn(Cc3ccccc3)nn2)cc1	216777379	JOHICHIBTGPQOM-HXUWFJFHSA-N	350.422	2.866	70	40	FFIB	
O=C(NC[C@H]1CCCN1c1nccs1)c1ccc(Cn2ccnc2)cc1	217773091	RJEZOKQTNUJJRU-QGZVFWFLSA-N	367.478	2.787	70	40	FFIB	
COc1ccccc1Cn1cc([C@H]2SCC(=O)N2Cc2ccco2)nn1	216685439	WPLNRKUSKZCVDI-GOSISDBHSA-N	370.434	2.702	70	40	FFIB	
CCN1C(=O)CS[C@H]1c1cn(Cc2cccc(C(F)(F)F)c2)nn1	216754690	DGLCRDGRIWCARL-AWEZNQCLSA-N	356.373	2.939	70	40	FFIB	
O=S(=O)(F)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C3CC3)C2)cc1	1776007435	CCVRLHGAIGQSJW-OLZOCXBDSA-N	361.460	2.592	70	40	FFIB	
C[C@@](O)(CNC(=O)[C@@H]1COc2ccccc2O1)c1cc2ccccc2o1	217988789	MHIDIYMHCJBESG-FXAWDEMLSA-N	353.374	2.597	70	40	FFIB	
COC(=O)c1ccccc1C(=O)N1CCC[C@]2(C1)OC(=O)c1ccccc12	217592643	HABCMQHTMABMLD-OAQYLSRUSA-N	365.385	2.775	70	40	FFIB	
Cc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1	216941124	MPAOMPHMEHYJHM-UHFFFAOYSA-N	374.506	2.947	70	40	FFIB	
O=S(=O)(Cl)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12	100078707	RZOOMEPNEVZRIT-UHFFFAOYSA-N	355.824	2.806	70	40	FFIB	
O=S(=O)(Cl)c1cn(CCC(F)(F)F)nc1COCC(F)F	408715787	DQQOXHLIVFTFKS-UHFFFAOYSA-N	356.700	2.545	70	40	FFIB	
O=C1OC2(CCN(C(=O)Cn3cnc4ccccc43)CC2)c2ccccc21	217531265	FNOYKRKZEQZWLY-UHFFFAOYSA-N	361.401	2.725	70	40	FFIB	
COc1cc(OC)cc(C(=O)NCc2ccc(OC)c(OC)c2OC)c1	218174441	SDRUOIJQPIUHCE-UHFFFAOYSA-N	361.394	2.660	70	40	FFIB	
COc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(F)cc3)n2)c1	218704907	XMMDOQFWTKGDKV-GFCCVEGCSA-N	371.368	2.968	70	40	FFIB	
COc1ccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccco3)nn2)cc1	216685551	MRRTXGMZJABPRN-GOSISDBHSA-N	370.434	2.702	70	40	FFIB	
C[C@](O)(CNC(=O)[C@H]1COc2ccccc2O1)c1cc2ccccc2o1	217989029	MHIDIYMHCJBESG-XLIONFOSSA-N	353.374	2.597	70	40	FFIB	
CN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1COc2ccccc2O1	218302584	RNGWEIOGOVZYTA-ZDUSSCGKSA-N	357.391	2.597	70	40	FFIB	
O=S(=O)(Cl)c1cn(CCC(F)(F)F)nc1COCC(F)(F)F	408716829	RKXXLTWDSYNQOX-UHFFFAOYSA-N	374.690	2.842	70	40	FFIB	
COC(=O)c1ccccc1C(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12	217592723	HABCMQHTMABMLD-NRFANRHFSA-N	365.385	2.775	70	40	FFIB	
Cc1ncc(-c2nnc(C3CCN(C(=O)c4ccc(F)cc4)CC3)o2)cn1	216637920	NVPAEXJAYXGTNM-UHFFFAOYSA-N	367.384	2.994	70	40	FFIB	
C[C@@H](C(=O)NCCC1=CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O	218449840	PGCGVPVZSIBXGU-AWEZNQCLSA-N	368.474	2.987	70	40	FFIB	
COC(=O)CS[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1	217558726	BIUTZMPHXJQYPG-LBPRGKRZSA-N	363.357	2.706	70	40	FFIB	
O=C(NC[C@H]1CCCN(c2nccs2)C1)c1cnc2ccccc2n1	218120284	VSMDKIMPLDQHDD-CYBMUJFWSA-N	353.451	2.733	70	40	FFIB	
Cc1cc(C(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)c(C)o1	217842361	ATJMUYCQUZUVLE-CQSZACIVSA-N	367.409	2.831	70	40	FFIB	
COc1cccc(Cn2cc([C@H]3OCCN3Cc3ccccc3)nn2)c1	216773293	JGYQQGJKNKGVSY-HXUWFJFHSA-N	350.422	2.866	70	40	FFIB	
O=S(=O)(OCCC(F)(F)C(F)(F)Br)C(F)(F)F	103624225	PXQOCNLBSCJKAM-UHFFFAOYSA-N	357.041	2.866	70	40	FFIB	
COc1ccc(S(=O)(=O)Cl)cc1CNC(=O)c1ccccc1C	100027148	ZEGLJWBOORQQQP-UHFFFAOYSA-N	353.827	2.861	70	40	FFIB	
O=C(c1noc2c1CCCC2)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217815181	SGLHEUSOGKJJSE-GFCCVEGCSA-N	356.426	2.909	70	40	FFIB	
COc1ccc(/C=C/C(=O)NCCN(C)c2ccccc2)c(OC)c1OC	218186369	WRQBMKMYTICTLA-ACCUITESSA-N	370.449	2.978	70	40	FFIB	
O=C(CCn1ccc2ccccc21)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217950620	QVMLHWVAIQLMOE-FUHWJXTLSA-N	361.445	2.839	70	40	FFIB	
Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCn3cccc3)cn2)cc1	160143836	ZOSOOVZKRGTPNK-UHFFFAOYSA-N	364.405	2.739	70	40	FFIB	
O=S(=O)(Cl)c1cnn(C2CCCC2)c1I	953066073	QOZZRNUKUWUHJP-UHFFFAOYSA-N	360.604	2.530	70	40	FFIB	
O=[N+]([O-])c1cc(Br)cc(OS(=O)(=O)C(F)(F)F)c1	247441624	XMWFXJIXMNVHSL-UHFFFAOYSA-N	350.068	2.586	70	40	FFIB	
O=C(N1CCC(Cc2ccc(S(=O)(=O)Cl)cc2)CC1)C(F)(F)F	110749519	XGVZBBSVJFACHZ-UHFFFAOYSA-N	369.792	2.958	70	40	FFIB	
COCOCOC(=O)Nc1cccc2c(S(=O)(=O)Cl)cccc12	110167025	CVWQZLXPROOMKK-UHFFFAOYSA-N	359.787	2.894	70	40	FFIB	
O=C(/C=C/c1cccs1)N[C@H](CN1C(=O)COC1=O)c1ccccc1	217980137	DCYOLOGDSDFGHB-XVJNWHFHSA-N	356.403	2.598	70	40	FFIB	
O=C(Cc1ccsc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217846846	DTDCJIVXKYGFHU-ZDUSSCGKSA-N	369.450	2.612	70	40	FFIB	
O=C(Cc1noc2ccccc12)NC[C@H]1CCCN(c2nccs2)C1	218154763	IADJACQPPWSUSO-CYBMUJFWSA-N	356.451	2.860	70	40	FFIB	
O=C(NCC[C@@H](O)c1ccsc1)C(=O)Nc1ccc(F)c(Cl)c1	217543335	RUMMOEVCGUITSV-CYBMUJFWSA-N	356.806	2.719	70	40	FFIB	
CN1C(=O)c2ccccc2N(C)[C@H]1c1cn(Cc2ccccc2F)nn1	216757550	AMSYZOLZEQBLCZ-GOSISDBHSA-N	351.385	2.686	70	40	FFIB	
O=C(c1ccno1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1	217794446	WFSSJXLDVUFBCI-GFCCVEGCSA-N	356.357	2.959	70	40	FFIB	
CC(C)(C)OC(=O)N1[C@@H]2C=C(OS(=O)(=O)C(F)(F)F)C[C@@H]1CC2	100007427	CJDKVEWDWXIBSM-IUCAKERBSA-N	357.350	2.908	70	40	FFIB	
COC(=O)c1ccccc1C(=O)N1CCC2(CC1)OC(=O)c1ccccc12	217531384	BXAJFDGGQCTZSK-UHFFFAOYSA-N	365.385	2.775	70	40	FFIB	
O=C(NCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1COc2ccccc2O1	218301242	UTEYKFDYHLPMIS-HNNXBMFYSA-N	371.780	2.846	70	40	FFIB	
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cc(-c2ccco2)on1	218007692	GFRMBOFEDOCHNU-HXUWFJFHSA-N	368.389	2.897	70	40	FFIB	
O=C(NCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)F)cc1	100482171	NHSKKWTWNGLMSI-UHFFFAOYSA-N	353.331	2.575	70	40	FFIB	
Cc1noc(C)c1CCC(=O)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	217660958	SKYFZUKSRAJYTK-KRWDZBQOSA-N	365.437	2.956	70	40	FFIB	
COc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1	160526256	UKOGVKATSJOLOS-HNNXBMFYSA-N	359.447	2.808	70	40	FFIB	
O=[N+]([O-])c1cccc(OS(=O)(=O)C(F)(F)F)c1Br	220723590	KWCUJNPIWHPIOE-UHFFFAOYSA-N	350.068	2.586	70	40	FFIB	
COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(F)cc3)n2)cc1	218705078	ZRTBWSLITCYLMK-GFCCVEGCSA-N	371.368	2.968	70	40	FFIB	
O=C(N[C@H](CN1C(=O)COC1=O)c1ccccc1)c1ccc(Cl)s1	217980321	CVMVMIXVCYPJNC-LLVKDONJSA-N	364.810	2.851	70	40	FFIB	
CN1CCC(CC(=O)Nc2ccc(I)cc2)CC1	216892611	IKZNTKYTQHBVNW-UHFFFAOYSA-N	358.223	2.962	70	40	FFIB	
Cc1nnsc1C(=O)N(Cc1ccco1)Cc1nn(C)c2c1CCC2	217904169	MURSZCNIKJZBBH-UHFFFAOYSA-N	357.439	2.504	70	40	FFIB	
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1ccc2nsnc2c1	218008241	NOWWICQYZNLERE-LJQANCHMSA-N	369.446	2.654	70	40	FFIB	
O=C(/C=C/c1ccc(Cl)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1	217729970	SGNKHNCKXBIBGZ-RRUDCUFVSA-N	370.836	2.515	70	40	FFIB	
O=C(NCCC1=CCCCC1)c1cn(C[C@@H](O)c2ccccc2F)nn1	217475077	ZRBZOXCXQNMDJF-GOSISDBHSA-N	358.417	2.771	70	40	FFIB	
O=S(=O)(NC[C@H]1CCCN(c2nccs2)C1)c1ccccc1Cl	218178463	RUVCPUWINNTKBN-GFCCVEGCSA-N	371.915	2.991	70	40	FFIB	
Cc1cc(OCC(=O)NCCC2CCN(C)CC2)ccc1Br	216950341	MDFGLZSTIUWMOD-UHFFFAOYSA-N	369.303	2.984	70	40	FFIB	
COc1ccc(CNC(=O)[C@H](C)Oc2ccc(F)cc2)c(OC)c1OC	218697469	GSBRIMAVACTZJQ-LBPRGKRZSA-N	363.385	2.935	70	40	FFIB	
CCS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(C)cc2)cc1	218639542	GHOYEANJAZGZOU-UHFFFAOYSA-N	362.451	2.565	70	40	FFIB	
COC(=O)c1ccc(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cc1	217806254	HKXIZLFWDIXNQY-ZDUSSCGKSA-N	369.421	2.829	70	40	FFIB	
COC(=O)CS[C@H]1CCN(C(=O)CCc2ccc(Cl)c(F)c2)C1	217561304	OURPOQQDJRCPFZ-LBPRGKRZSA-N	359.850	2.919	70	40	FFIB	
O=C1OC2(CCN(C(=O)c3ccc4nsnc4c3)CC2)c2ccccc21	217514556	NUCZGPDGRUELMK-UHFFFAOYSA-N	365.414	2.993	70	40	FFIB	
COc1ccc([C@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	218115037	DYWLYDLKBJLIIF-GVDBMIGSSA-N	361.488	2.846	70	40	FFIB	
O=S(=O)(F)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1F	1776011180	GYARDTFAZZTRMW-UHFFFAOYSA-N	367.782	2.938	70	40	FFIB	
Cc1cc(OC2CN(C(=O)c3csc(-c4ccccc4)n3)C2)cc(=O)o1	217752292	WHVJMGVHRJPTGL-UHFFFAOYSA-N	368.414	2.975	70	40	FFIB	
COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(F)cc2)c(OC)c1OC	218697385	GSBRIMAVACTZJQ-GFCCVEGCSA-N	363.385	2.935	70	40	FFIB	
CS(=O)(=O)Nc1ccccc1C(=O)NCCCc1ccc(F)cc1	218395734	YWXHQVSJODUHJQ-UHFFFAOYSA-N	350.415	2.560	70	40	FFIB	
COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Cl	95697960	XJCWVTYYLXTJDK-UHFFFAOYSA-N	355.755	2.762	70	40	FFIB	
Cc1ccccc1NC(=O)CS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1	217429827	BVNOENMOTOALCC-UHFFFAOYSA-N	370.430	2.557	70	40	FFIB	
CCN1C(=O)CS[C@@H]1c1cn(Cc2cccc(C(F)(F)F)c2)nn1	216754643	DGLCRDGRIWCARL-CQSZACIVSA-N	356.373	2.939	70	40	FFIB	
Cc1cc(O[C@H]2CCN(C(=O)c3nc4ccccc4s3)C2)cc(=O)n1C	217771519	BIJKKMOWRLMEHM-ZDUSSCGKSA-N	369.446	2.597	70	40	FFIB	
O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCC(Cc2ccccc2)CC1	217955172	AHJPSUBTJFYNMP-BGYRXZFFSA-N	367.497	2.961	70	40	FFIB	
CCOC(=O)COc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCOC	217767704	WIZWRDGYCIOXQU-UHFFFAOYSA-N	363.410	2.715	70	40	FFIB	
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cc(-c2ccco2)on1	218007607	GFRMBOFEDOCHNU-FQEVSTJZSA-N	368.389	2.897	70	40	FFIB	
COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(F)cc3)n2)cc1	218705151	ZRTBWSLITCYLMK-LBPRGKRZSA-N	371.368	2.968	70	40	FFIB	
C[Sn](C)(C)N=C=N[Sn](C)(C)C	195752781	QQLYBFWNMGFTBM-UHFFFAOYSA-N	367.657	2.830	70	40	FFIB	
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCS[C@@H]1c1ccsc1	217636515	YWUGGIIQUZPRRS-OAHLLOKOSA-N	369.489	2.956	70	40	FFIB	
O=C(NCC[C@@H](O)c1ccsc1)C(=O)Nc1cccc(C(F)(F)F)c1	217543540	MAHCLKYILUQMQJ-CYBMUJFWSA-N	372.368	2.945	70	40	FFIB	
CN1CCC(CCNC(=O)C2CCN(Cc3ccccc3F)CC2)CC1	217030588	ZBOIOEJCDWCJCW-UHFFFAOYSA-N	361.505	2.886	70	40	FFIB	
C[C@@](O)(CNC(=O)[C@H]1COc2ccccc2O1)c1cc2ccccc2o1	217988941	MHIDIYMHCJBESG-YLJYHZDGSA-N	353.374	2.597	70	40	FFIB	
Cc1cc(C(=O)NCCCc2ccc(F)cc2)ccc1NS(C)(=O)=O	218594729	KIUUNAVAPDFJMU-UHFFFAOYSA-N	364.442	2.868	70	40	FFIB	
O=C(/C=C/c1ccc(Cl)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1	217729869	SGNKHNCKXBIBGZ-NWOVIEQLSA-N	370.836	2.515	70	40	FFIB	
COC(=O)c1cccc(Cn2cc([C@H]3OCCN3c3ccccc3)nn2)c1	216756170	NPWCITMAKFMLSM-LJQANCHMSA-N	364.405	2.648	70	40	FFIB	
Cc1cc(OC2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)cc(=O)n1C	217777723	HWLNAUSWWBXPDT-UHFFFAOYSA-N	365.433	2.859	70	40	FFIB	
O=C1CN(C(=O)NCc2cccc(-c3ccccn3)c2)[C@H]2CCCC[C@H]2N1	160181462	MTSCISVHRPZMMM-MOPGFXCFSA-N	364.449	2.701	70	40	FFIB	
O=C(NCc1ccc(S(=O)(=O)F)cc1)Oc1ccc([N+](=O)[O-])cc1	104168997	UZLAJBBJHXMKAY-UHFFFAOYSA-N	354.315	2.542	70	40	FFIB	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCOc2cc(F)ccc2C1	1614994871	MQXNXVDEAZGNQS-UHFFFAOYSA-N	353.346	2.519	70	40	FFIB	
CCO[SiH](OCC)[C@@H](C)CCNCC[C@H](C)[SiH](OCC)OCC	200073554	WLKJPTNYLNKNMG-HOTGVXAUSA-N	365.663	2.723	70	40	FFIB	
O=C(NCCCN1CCCc2ccccc21)[C@@H]1COc2ccccc2O1	218302816	FYGHKKHAJZZKEM-FQEVSTJZSA-N	352.434	2.786	70	40	FFIB	
COc1ccc(CNC(=O)NCC[C@@H](O)c2ccsc2)cc1OC	217547519	XXPUSDAJCKKPHB-CQSZACIVSA-N	350.440	2.688	70	40	FFIB	
O=S(=O)(Cc1cc(F)ccc1F)NC[C@H]1CCCN1c1nccs1	217798527	ZGDWLOYAABQQNC-CYBMUJFWSA-N	373.450	2.510	70	40	FFIB	
Cc1ncc(-c2nnc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)o2)cn1	216658550	XMTDMDQNDKPGRK-CQSZACIVSA-N	367.384	2.994	70	40	FFIB	
COC[C@@]1(C(N)=S)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1	218041598	BKLIRMFOFIJRBN-SOLBZPMBSA-N	361.488	2.545	70	40	FFIB	
COc1ccc([C@@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	218114956	DYWLYDLKBJLIIF-BRWVUGGUSA-N	361.488	2.846	70	40	FFIB	
Cc1ncsc1C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1	218285008	SMAUDKQXJDGBFX-ZDUSSCGKSA-N	356.407	2.740	70	40	FFIB	
CC(C)Oc1cccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1	218225234	PLZVGPPMTIDIEZ-UHFFFAOYSA-N	362.451	2.879	70	40	FFIB	
CC(C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	1776007744	VSQMRZVSKIQKRX-STQMWFEESA-N	363.476	2.838	70	40	FFIB	
CSc1ccc(CCC(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)cc1	217784175	SGGSITUCVZQGND-ZDUSSCGKSA-N	364.492	2.637	70	40	FFIB	
CSc1nc(Nc2cccc(C(C)=O)c2)cc(N2CCN(C)CC2)n1	216852623	JIRPJHGXBSFLIU-UHFFFAOYSA-N	357.483	2.897	70	40	FFIB	
COc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C	216842755	IWNSJBRVQJDWOK-UHFFFAOYSA-N	367.449	2.644	70	40	FFIB	
COC(=O)c1ccc(Cn2cc([C@@H]3OCCN3c3ccccc3)nn2)cc1	216756236	OGUHFIDANKABSR-IBGZPJMESA-N	364.405	2.648	70	40	FFIB	
Cc1ccc(OC[C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1	218401993	LMNNTBKFEUBXJO-AWEZNQCLSA-N	362.451	2.564	70	40	FFIB	
Cc1cc(F)ccc1S(=O)(=O)N1CC(n2cc(-c3ccccc3)nn2)C1	217673971	ZOVLGLJMVWQOIK-UHFFFAOYSA-N	372.425	2.638	70	40	FFIB	
CSc1ccccc1C(=O)N[C@H](CN1C(=O)COC1=O)c1ccccc1	217980595	YBRWBIAIBKBTMP-OAHLLOKOSA-N	370.430	2.858	70	40	FFIB	
CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1cccc3ccccc13)C2	217683556	GAYFWOFXXJSSAD-HOTGVXAUSA-N	358.463	2.525	70	40	FFIB	
O=S(=O)(C1CC1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1	217804136	YOVVOGNGIZEDDG-GFCCVEGCSA-N	365.430	2.622	70	40	FFIB	
CCO[SiH](OCC)[C@@H](C)CCNCC[C@@H](C)[SiH](OCC)OCC	200073486	WLKJPTNYLNKNMG-IYBDPMFKSA-N	365.663	2.723	70	40	FFIB	
COc1ccc(S(=O)(=O)Cl)cc1CCC(=O)N1CCC(C)CC1	100026988	OPANJGAKUODRNC-UHFFFAOYSA-N	359.875	2.814	70	40	FFIB	
O=C(/C=C/c1cccs1)N[C@@H](CN1C(=O)COC1=O)c1ccccc1	217980205	DCYOLOGDSDFGHB-HVHJFMEUSA-N	356.403	2.598	70	40	FFIB	
O=C(c1cc(-c2ccsc2)[nH]n1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	218103858	HYJDMVKIARCMPU-GXTWGEPZSA-N	366.446	2.559	70	40	FFIB	
Cc1ncncc1-c1nnc(C2CCN(C(=O)c3cccs3)CC2)o1	216639390	RNGLLOVNVGSCIV-UHFFFAOYSA-N	355.423	2.916	70	40	FFIB	
O=C(COc1ccccc1F)N1CC(n2cc(-c3ccccc3)nn2)C1	217671407	VIJFQEJPAUUHEI-UHFFFAOYSA-N	352.369	2.547	70	40	FFIB	
COCCn1cc(C(=O)N[C@H](CO)CCSC)c2cc(Cl)ccc21	218254958	FJMOICFBUCAWKE-ZDUSSCGKSA-N	370.902	2.785	70	40	FFIB	
COc1cccc(Cn2cc([C@@H]3N(C)C(=O)c4ccccc4N3C)nn2)c1	216758322	VOUMNGQKRRIPNZ-IBGZPJMESA-N	363.421	2.556	70	40	FFIB	
Cc1cccc(-c2noc(CNC(=O)[C@H]3COc4ccccc4O3)n2)c1	218300486	PISJIZXODCQYIQ-MRXNPFEDSA-N	351.362	2.501	70	40	FFIB	
CC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1	160084905	CSRPSMKJKKQARZ-UHFFFAOYSA-N	368.842	2.656	70	40	FFIB	
CCO[SiH](OCC)[C@H](C)CCNCC[C@@H](C)[SiH](OCC)OCC	200073523	WLKJPTNYLNKNMG-HZPDHXFCSA-N	365.663	2.723	70	40	FFIB	
COC(=O)[C@@H](CCSC)NC(=O)Cn1ccc2cc(Cl)ccc21	216668620	HJTLCPYKXYWLQL-CYBMUJFWSA-N	354.859	2.706	70	40	FFIB	
O=C(NCc1nc(-c2ccccc2Cl)no1)[C@H]1COc2ccccc2O1	218301160	CGKIBRVWNUNYNP-OAHLLOKOSA-N	371.780	2.846	70	40	FFIB	
C[C@](O)(CNS(=O)(=O)c1ccc2c(c1)CCO2)c1cc2ccccc2o1	217999706	XKIAORVUGJUDQL-IBGZPJMESA-N	373.430	2.554	70	40	FFIB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)F)cc1	100482144	BTLLFNKWFUSWGY-RUDMXATFSA-N	350.327	2.905	70	40	FFIB	
COc1cc(CNC(=O)[C@@H]2COc3ccccc3O2)ccc1OC(C)C	218297547	UOELXPNAOZMAFL-IBGZPJMESA-N	357.406	2.939	70	40	FFIB	
O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1cccc(S(=O)(=O)F)c1	104170235	ZGWGSLLBZJPDDK-FPLPWBNLSA-N	350.327	2.905	70	40	FFIB	
O=C(NCCCN1CCCc2ccccc21)[C@H]1COc2ccccc2O1	218302865	FYGHKKHAJZZKEM-HXUWFJFHSA-N	352.434	2.786	70	40	FFIB	
Cc1noc(C)c1S(=O)(=O)NC[C@@](C)(O)c1cc2ccccc2s1	217511554	PIVCLKQFNHUXOT-MRXNPFEDSA-N	366.464	2.692	70	40	FFIB	
COc1ccc(C(=O)NCc2cc(S(=O)(=O)Cl)ccc2OC)cc1	100027159	RYQUSYNFFGHIMO-UHFFFAOYSA-N	369.826	2.561	70	40	FFIB	
COc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(F)cc3)n2)c1	218704980	XMMDOQFWTKGDKV-LBPRGKRZSA-N	371.368	2.968	70	40	FFIB	
Cc1cccc2c1ccn2CC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	218067220	RSMKQKHLKIEMIS-DLBZAZTESA-N	361.445	2.757	70	40	FFIB	
CN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1COc2ccccc2O1	218302643	RNGWEIOGOVZYTA-CYBMUJFWSA-N	357.391	2.597	70	40	FFIB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)F)cc1	100482139	LZWWYRHJDBEPKN-XCVCLJGOSA-N	350.327	2.905	70	40	FFIB	
COC[C@@H](C)NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C	216892272	ATFGGGZERQWHAZ-CYBMUJFWSA-N	374.462	2.565	70	40	FFIB	
COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Cc1cccs1	217874186	HYPIRUHEKQONON-SWLSCSKDSA-N	363.410	2.651	70	40	FFIB	
O=C1CN(C(=O)NCc2cccc(-c3ccccn3)c2)[C@H]2CCCC[C@@H]2N1	160181342	MTSCISVHRPZMMM-OALUTQOASA-N	364.449	2.701	70	40	FFIB	
Cc1ncc(-c2nnc([C@H]3CCCN(C(=O)c4cccs4)C3)o2)cn1	216658802	LZRCJIJUPWQURJ-LBPRGKRZSA-N	355.423	2.916	70	40	FFIB	
CC(C)(C)OC(=O)N1[C@H]2C=C(OS(=O)(=O)C(F)(F)F)C[C@H]1CC2	100007419	CJDKVEWDWXIBSM-RKDXNWHRSA-N	357.350	2.908	70	40	FFIB	
Cc1ccc(CCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1	218532305	QYWMRUVOGXQGIW-UHFFFAOYSA-N	372.490	2.767	70	40	FFIB	
CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccccc2OC)C1	161108845	JLJWOVFKHVOKLX-SJLPKXTDSA-N	373.497	2.571	70	40	FFIB	
O=C(Cc1noc2ccccc12)NC[C@@H]1CCCN(c2nccs2)C1	218154670	IADJACQPPWSUSO-ZDUSSCGKSA-N	356.451	2.860	70	40	FFIB	
COc1ccc([C@H](O)CNC(=O)Cc2c(F)cccc2Cl)cc1OC	217496225	UVWOZWOLDBBMHO-OAHLLOKOSA-N	367.804	2.889	70	40	FFIB	
O=C(NCCn1ccnc1-c1ccccn1)c1ccc(Br)o1	217860058	VSZZTOMGIPHMRF-UHFFFAOYSA-N	361.199	2.731	70	40	FFIB	
COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)F)cc1	675065964	TXWMCDVOCMAJEF-UHFFFAOYSA-N	371.817	2.979	70	40	FFIB	
CSc1ccccc1-c1noc(C2CCN(S(C)(=O)=O)CC2)n1	216670979	LJXXDHUQAHFSHJ-UHFFFAOYSA-N	353.469	2.598	70	40	FFIB	
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cnc(N2CCCC2)nc1	100039527	YXDSLCBLWCPTJQ-UHFFFAOYSA-N	359.254	2.992	70	40	FFIB	
Cc1ncc(-c2nnc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)o2)cn1	216658592	XMTDMDQNDKPGRK-AWEZNQCLSA-N	367.384	2.994	70	40	FFIB	
COc1ccc(S(=O)(=O)NCCC2CCN(C)CC2)cc1C(C)C	217036265	JHPOEGYDWHTFKN-UHFFFAOYSA-N	354.516	2.829	70	40	FFIB	
O=C(COc1ccc(S(=O)(=O)Cl)cc1Cl)N1CCCCC1	100010183	JAUKQTBTTOKEJS-UHFFFAOYSA-N	352.239	2.659	70	40	FFIB	
CN1CCC(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1	216894766	YCBBJVAJODSUOD-UHFFFAOYSA-N	355.438	2.880	70	40	FFIB	
COc1cc(C)c(C)cc1S(=O)(=O)NCC[C@H](O)c1ccsc1	217538097	KDJYGNMFKSKJJJ-AWEZNQCLSA-N	355.481	2.776	70	40	FFIB	
CSc1nc(Nc2ccc(F)cc2F)cc(N2CCN(C)CC2)n1	216851682	DMYVCCFEIPQZTN-UHFFFAOYSA-N	351.426	2.972	70	40	FFIB	
O=S(=O)(F)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C3CC3)C2)cc1	1776007434	CCVRLHGAIGQSJW-CHWSQXEVSA-N	361.460	2.592	70	40	FFIB	
O=S(=O)(C1CC1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1	217804041	YOVVOGNGIZEDDG-LBPRGKRZSA-N	365.430	2.622	70	40	FFIB	
Cc1ncncc1-c1nnc([C@H]2CCCN(C(=O)c3cccs3)C2)o1	216661465	XLWPZVHIDNRWLU-LBPRGKRZSA-N	355.423	2.916	70	40	FFIB	
CC(=O)Nc1ccc(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1	217525857	BSSJFJDSBHTPEL-UHFFFAOYSA-N	364.401	2.947	70	40	FFIB	
O=S(=O)(Cl)c1cn(C2CCCC2)nc1I	953066070	MRBQYVHZVPJBCU-UHFFFAOYSA-N	360.604	2.530	70	40	FFIB	
O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)C(F)(F)F	247426024	SNMNHPFTAQGEKK-UHFFFAOYSA-N	350.068	2.586	70	40	FFIB	
CN1C(=O)c2ccccc2N(C)[C@H]1c1cn(Cc2ccc(F)cc2)nn1	216757658	UAKFJBFQICIFLK-GOSISDBHSA-N	351.385	2.686	70	40	FFIB	
COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(C)oc1C	217873507	BLWKSSWEHGHEQI-XJKSGUPXSA-N	361.369	2.871	70	40	FFIB	
O=S(=O)(CCc1ccccc1)NC[C@@H]1CCCN(c2nccs2)C1	218176463	RVUNJHYKYSWTCS-INIZCTEOSA-N	365.524	2.522	70	40	FFIB	
COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1	160526127	UKOGVKATSJOLOS-OAHLLOKOSA-N	359.447	2.808	70	40	FFIB	
COc1ccc(CNC(=O)NCC[C@H](O)c2ccsc2)cc1OC	217547426	XXPUSDAJCKKPHB-AWEZNQCLSA-N	350.440	2.688	70	40	FFIB	
CN1CCC(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)CC1	216896621	YYCGSASSJRSTQW-UHFFFAOYSA-N	366.465	2.682	70	40	FFIB	
COC(=O)c1cccc(Cn2cc([C@@H]3OCCN3c3ccccc3)nn2)c1	216756129	NPWCITMAKFMLSM-IBGZPJMESA-N	364.405	2.648	70	40	FFIB	
COc1nn(C)cc1C(=O)NCCn1nc(-c2ccsc2)cc1C1CC1	217878866	MSMUPHCMFYSKNR-UHFFFAOYSA-N	371.466	2.661	70	40	FFIB	
COC(=O)CS[C@@H]1CCN(C(=O)c2cccc(Br)c2)C1	217564648	QWNDBGHARFZKRM-GFCCVEGCSA-N	358.257	2.570	70	40	FFIB	
C[C@@](O)(CNS(=O)(=O)CCC(F)(F)F)c1cc2ccccc2o1	218000403	WBIUARCNNDYDAY-CYBMUJFWSA-N	351.346	2.512	70	40	FFIB	
O=C(c1cnc2ccccc2n1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217812360	OWSDJVPMPASZCX-CYBMUJFWSA-N	363.421	2.985	70	40	FFIB	
Cc1ncncc1-c1nnc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)o1	216661253	ASSBHTVMVGSDLY-AWEZNQCLSA-N	367.384	2.994	70	40	FFIB	
O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CC[C@H](Cn2cnnn2)CC1	218118816	VXSXNGSOHSIOBI-BETUJISGSA-N	360.487	2.844	70	40	FFIB	
Cc1cc(I)ccc1NC(=O)[C@@H]1CCCN(C)C1	216908450	CFBKHPBWYLDLOZ-LLVKDONJSA-N	358.223	2.880	70	40	FFIB	
O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)F)cc1	100482142	BTLLFNKWFUSWGY-WTKPLQERSA-N	350.327	2.905	70	40	FFIB	
CC(C)CC(=O)Nc1ccc(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)nc1	217550009	FIFAKSCFERHIKM-JKSUJKDBSA-N	366.465	2.852	70	40	FFIB	
COc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1F	160082834	GIRVPIGIAALOER-UHFFFAOYSA-N	359.806	2.845	70	40	FFIB	
Cc1noc(C)c1CCC(=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	217661033	SKYFZUKSRAJYTK-QGZVFWFLSA-N	365.437	2.956	70	40	FFIB	
CCN(c1ccc(C(=O)NCCCc2ccccc2)cc1)S(C)(=O)=O	218778571	GDHNACDLONDVBA-UHFFFAOYSA-N	360.479	2.835	70	40	FFIB	
COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cc1cccs1	217874313	HYPIRUHEKQONON-IUODEOHRSA-N	363.410	2.651	70	40	FFIB	
Nc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	104107770	NCAAPTHAGSCGFB-UHFFFAOYSA-N	358.778	2.598	70	40	FFIB	
CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1COc2ccccc2O1	218301562	YVIHXBJVAKQEST-MRXNPFEDSA-N	351.362	2.535	70	40	FFIB	
COC(=O)c1ccc(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)cc1	217806182	HKXIZLFWDIXNQY-CYBMUJFWSA-N	369.421	2.829	70	40	FFIB	
O=C(N[C@@H](CN1C(=O)COC1=O)c1ccccc1)c1ccc(Cl)s1	217980405	CVMVMIXVCYPJNC-NSHDSACASA-N	364.810	2.851	70	40	FFIB	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C=C(OS(=O)(=O)C(F)(F)F)C2	100007420	CJDKVEWDWXIBSM-BDAKNGLRSA-N	357.350	2.908	70	40	FFIB	
O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)c1cccc2ccccc12	159375071	FXNJWUKXDHDKCA-MRXNPFEDSA-N	353.447	2.792	70	40	FFIB	
O=C(NCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1COc2ccccc2O1	218301289	UTEYKFDYHLPMIS-OAHLLOKOSA-N	371.780	2.846	70	40	FFIB	
O=C1CS[C@H](c2cn(Cc3ccccc3F)nn2)N1Cc1ccco1	216684777	ONNHNPPFYBHNLM-QGZVFWFLSA-N	358.398	2.833	70	40	FFIB	
COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(C)oc1C	217873466	BLWKSSWEHGHEQI-CZUORRHYSA-N	361.369	2.871	70	40	FFIB	
Cc1cc(C(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)c(C)o1	217842451	ATJMUYCQUZUVLE-AWEZNQCLSA-N	367.409	2.831	70	40	FFIB	
Cc1cccc(-c2noc(CN(C)C(=O)[C@H]3COc4ccccc4O3)n2)c1	218301677	VGNAADQRYSZUHX-QGZVFWFLSA-N	365.389	2.843	70	40	FFIB	
CN1CCC[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	216910737	CDERTBBGJFBKHK-AWEZNQCLSA-N	355.404	2.696	70	40	FFIB	
O=S(=O)(NC[C@@H]1CCCN1c1nc2ccccc2o1)c1cccs1	217698592	IYPCCCXXONYPFV-LBPRGKRZSA-N	363.464	2.837	70	40	FFIB	
COC(=O)CS[C@H]1CCN(C(=O)c2cccc(Br)c2)C1	217564728	QWNDBGHARFZKRM-LBPRGKRZSA-N	358.257	2.570	70	40	FFIB	
Cn1cc(CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21	218028920	CFGMHDUIIDVKPY-DOTOQJQBSA-N	361.445	2.528	70	40	FFIB	
CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2	218085781	IUEDJAFLEBGWOD-YYIAUSFCSA-N	360.527	2.955	70	40	FFIB	
CCOC(=O)C1CCN(C(=O)CSCc2ccc(OC)cc2)CC1	218111613	VGMWJDUIYWAMGQ-UHFFFAOYSA-N	351.468	2.730	70	40	FFIB	
COc1ccc(C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)cc1	217845681	LFZUNKDBLGHBPK-UHFFFAOYSA-N	369.377	2.692	70	40	FFIB	
O=C(c1ccno1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1	217794367	WFSSJXLDVUFBCI-LBPRGKRZSA-N	356.357	2.959	70	40	FFIB	
Cc1cc(OC2CN(C(=O)c3ccccc3C(F)(F)F)C2)cc(=O)n1C	217755601	DPXMCSLTJFTHQO-UHFFFAOYSA-N	366.339	2.616	70	40	FFIB	
COC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1	218041751	BKLIRMFOFIJRBN-XYJFISCASA-N	361.488	2.545	70	40	FFIB	
CCS(=O)(=O)Nc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1	218638941	HWGZSZFCKRVVBX-UHFFFAOYSA-N	364.442	2.950	70	40	FFIB	
C[C@](O)(CNS(=O)(=O)CCC(F)(F)F)c1cc2ccccc2o1	218000492	WBIUARCNNDYDAY-ZDUSSCGKSA-N	351.346	2.512	70	40	FFIB	
Cc1ccc(CS(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1	216947947	QWPCNGXPUDGEJT-UHFFFAOYSA-N	359.495	2.689	70	40	FFIB	
Cc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1	218233169	STYOMOKRAPFCSG-KRWDZBQOSA-N	374.506	2.899	70	40	FFIB	
Cc1cc(S(=O)(=O)NC[C@@H]2CCCN(c3nccs3)C2)ccc1F	218177792	CECCYFUGPKXKDD-ZDUSSCGKSA-N	369.487	2.786	70	40	FFIB	
CN1CCC[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	216910713	CDERTBBGJFBKHK-CQSZACIVSA-N	355.404	2.696	70	40	FFIB	
O=C(NC[C@@H]1CCCN1c1nccs1)c1ccc(Cn2ccnc2)cc1	217773010	RJEZOKQTNUJJRU-KRWDZBQOSA-N	367.478	2.787	70	40	FFIB	
O=C(CCc1ccc(C(F)(F)F)cc1)NCC[C@@H](O)C1CCOCC1	217921871	KYHBTQMIEOAFAI-MRXNPFEDSA-N	359.388	2.932	70	40	FFIB	
COc1cccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccco3)nn2)c1	216684940	QLGPLYCIRZJPIA-SFHVURJKSA-N	370.434	2.702	70	40	FFIB	
O=C(NCc1nc(-c2ccccc2Cl)no1)[C@@H]1COc2ccccc2O1	218301104	CGKIBRVWNUNYNP-HNNXBMFYSA-N	371.780	2.846	70	40	FFIB	
C=C(Br)COc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]	103695068	AUXATSHSHJUGIU-UHFFFAOYSA-N	356.581	2.810	70	40	FFIB	
Cc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1NS(C)(=O)=O	218586716	KIKJXYZLJKRHMR-UHFFFAOYSA-N	364.442	2.868	70	40	FFIB	
Cc1noc(C)c1S(=O)(=O)NC[C@](C)(O)c1cc2ccccc2s1	217511460	PIVCLKQFNHUXOT-INIZCTEOSA-N	366.464	2.692	70	40	FFIB	
COC(=O)c1ccc(Cn2cc([C@H]3OCCN3c3ccccc3)nn2)cc1	216756283	OGUHFIDANKABSR-LJQANCHMSA-N	364.405	2.648	70	40	FFIB	
CN1CCN(C(=O)C2CCN(Cc3cccc(Cl)c3Cl)CC2)CC1	217030136	JXMVCPUAGNIEJU-UHFFFAOYSA-N	370.324	2.979	70	40	FFIB	
CCOC(=O)c1cnn(-c2ccc3ccccc3n2)c1S(=O)(=O)Cl	136455492	OUSPBKJNNTZIHY-UHFFFAOYSA-N	365.798	2.525	70	40	FFIB	
Cc1ncsc1C(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1	218284949	SMAUDKQXJDGBFX-CYBMUJFWSA-N	356.407	2.740	70	40	FFIB	
COc1ccc(CN2CCO[C@H]2c2cn(Cc3ccccc3)nn2)cc1	216777425	JOHICHIBTGPQOM-FQEVSTJZSA-N	350.422	2.866	70	40	FFIB	
O=C(Nc1ccc(Br)cc1)[C@H]1CC[C@H](Cn2cnnn2)CC1	217983699	SJAJMTCZFWCFHC-TXEJJXNPSA-N	364.247	2.881	70	40	FFIB	
COc1ccc2nc(NC(=O)[C@H]3CC[C@H](Cn4cnnn4)CC3)sc2c1	217987048	WHFSKJXDICDIDF-TXEJJXNPSA-N	372.454	2.737	70	40	FFIB	
Cc1ncc(-c2nnc(C3CCN(C(=O)Cc4ccccc4)CC3)o2)cn1	216637776	VEIDXZAPKXQCTF-UHFFFAOYSA-N	363.421	2.784	70	40	FFIB	
COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(C)oc1C	217873660	BLWKSSWEHGHEQI-BBRMVZONSA-N	361.369	2.871	70	40	FFIB	
COc1ccc(S(=O)(=O)Cl)cc1CNC(=O)c1ccc(C)cc1	100027154	GDRMEHFOBKZVNF-UHFFFAOYSA-N	353.827	2.861	70	40	FFIB	
CC(C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	1776007737	VSQMRZVSKIQKRX-CHWSQXEVSA-N	363.476	2.838	70	40	FFIB	
CCOc1ccc(S(=O)(=O)NCC[C@H](O)c2ccsc2)cc1F	217538308	DQDDRPYLWCWEET-AWEZNQCLSA-N	359.444	2.688	70	40	FFIB	
CN1CCOc2cc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cnc21	100047402	WEFDLXWSZQWZNH-UHFFFAOYSA-N	360.238	2.825	70	40	FFIB	
Cc1ccc(-c2noc(CN(C)C(=O)[C@@H]3COc4ccccc4O3)n2)cc1	218301744	KKPNEECPMYJMEX-KRWDZBQOSA-N	365.389	2.843	70	40	FFIB	
O=C(Nc1cnn(CC2CCOCC2)c1)c1ccc(Cn2ccnc2)cc1	218198784	IGFNQNRDUUDVLX-UHFFFAOYSA-N	365.437	2.807	70	40	FFIB	
CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1COc2ccccc2O1	218301510	YVIHXBJVAKQEST-INIZCTEOSA-N	351.362	2.535	70	40	FFIB	
Cc1cc(-c2ccncc2)nn1CCNC(=O)COc1ccc(F)cc1	217868624	GBIWMTNDHYHXGA-UHFFFAOYSA-N	354.385	2.588	70	40	FFIB	
Cc1cc(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])cc1Br	103631741	XPJQJLUTEJWGTJ-UHFFFAOYSA-N	364.095	2.894	70	40	FFIB	
CCOc1ccc(S(=O)(=O)NCC[C@@H](O)c2ccsc2)cc1F	217538395	DQDDRPYLWCWEET-CQSZACIVSA-N	359.444	2.688	70	40	FFIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1COc2ccccc2O1	218302731	YZERGCXUDCFLHZ-CQSZACIVSA-N	371.418	2.987	70	40	FFIB	
COc1ccc([C@H]2[C@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	218114865	DYWLYDLKBJLIIF-YESZJQIVSA-N	361.488	2.846	70	40	FFIB	
CSc1ccccc1-c1noc([C@@H]2CCCN(S(C)(=O)=O)C2)n1	216672124	OCMCPRPLACSCNF-LLVKDONJSA-N	353.469	2.598	70	40	FFIB	
COc1cccc(Cn2cc([C@H]3N(C)C(=O)c4ccccc4N3C)nn2)c1	216758277	VOUMNGQKRRIPNZ-LJQANCHMSA-N	363.421	2.556	70	40	FFIB	
CN(c1ccc(C(=O)NCCCc2ccc(F)cc2)cc1)S(C)(=O)=O	218333431	NQKYKBDJRRFVNM-UHFFFAOYSA-N	364.442	2.584	70	40	FFIB	
COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1	217558648	BIUTZMPHXJQYPG-GFCCVEGCSA-N	363.357	2.706	70	40	FFIB	
COc1ccc(Br)c(C(=O)NCC[C@H](O)c2cccn2C)c1	217937500	RLXHZUUWKAYQIK-HNNXBMFYSA-N	367.243	2.650	70	40	FFIB	
CS(=O)(=O)Nc1cccc(C(=O)NCCCc2ccc(F)cc2)c1	218566464	BKCCDAJLEXQMOY-UHFFFAOYSA-N	350.415	2.560	70	40	FFIB	
O=C1Nc2ccccc2CC[C@H]1Sc1nnnn1[C@H]1C[C@@H]2C=C[C@H]1C2	217866831	OCOPKKJHPVKDAD-SHPPOPEUSA-N	353.451	2.856	70	40	FFIB	
Cc1ccc(-c2noc(CNC(=O)[C@H]3COc4ccccc4O3)n2)cc1	218300647	BQEOUEWHXNHSJZ-MRXNPFEDSA-N	351.362	2.501	70	40	FFIB	
COc1ccc(CNC(=O)NCCn2nc(-c3ccncc3)cc2C)cc1	217870606	IVXOTEFSWMSVFI-UHFFFAOYSA-N	365.437	2.762	70	40	FFIB	
COC[C@]1(C(N)=S)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1	218041522	BKLIRMFOFIJRBN-RYRKJORJSA-N	361.488	2.545	70	40	FFIB	
CSc1ccc(-c2noc([C@H]3CCCN(S(C)(=O)=O)C3)n2)cc1	216672281	QMEBZWZKOPMEGI-LBPRGKRZSA-N	353.469	2.598	70	40	FFIB	
CC(C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	1776007742	VSQMRZVSKIQKRX-QWHCGFSZSA-N	363.476	2.838	70	40	FFIB	
COc1ccc(S(=O)(=O)NCC[C@H](O)c2ccsc2)cc1Cl	217538493	ATVZMXQCCHPMPI-ZDUSSCGKSA-N	361.872	2.812	70	40	FFIB	
C[Sn](C)(C)C[SiH](c1ccccc1)c1ccccc1	201129968	DDXXUWHMBWYWOK-UHFFFAOYSA-N	361.149	2.905	70	40	FFIB	
O=C(Nc1cnn(CC2CCOCC2)c1)c1cccc(-n2cccn2)c1	218229940	VUGWNRDIYOLESR-UHFFFAOYSA-N	351.410	2.748	70	40	FFIB	
O=C(/C=C/c1ccc2c(c1)OCO2)N1CC(n2cc(-c3ccccc3)nn2)C1	217671759	LXSTZVKOYIYZDJ-VQHVLOKHSA-N	374.400	2.771	70	40	FFIB	
O=S(=O)(CCc1ccccc1)NC[C@H]1CCCN(c2nccs2)C1	218176539	RVUNJHYKYSWTCS-MRXNPFEDSA-N	365.524	2.522	70	40	FFIB	
Cc1nn(C)c(C)c1S(=O)(=O)NCC1(c2ccsc2)CCCC1	217569957	MOPQSUWJKZUFHX-UHFFFAOYSA-N	353.513	2.889	70	40	FFIB	
Cc1cc(S(=O)(=O)NC[C@H]2CCCN(c3nccs3)C2)ccc1F	218177847	CECCYFUGPKXKDD-CYBMUJFWSA-N	369.487	2.786	70	40	FFIB	
O=C1CN(C(=O)NCc2cccc(-c3ccccn3)c2)[C@@H]2CCCC[C@@H]2N1	160181571	MTSCISVHRPZMMM-RBUKOAKNSA-N	364.449	2.701	70	40	FFIB	
Cn1cccc1[C@@H](O)CCNC(=O)CCc1ccccc1Br	217939513	WGSXGDPBWXBCAB-INIZCTEOSA-N	365.271	2.960	70	40	FFIB	
COc1cc(CNC(=O)c2ccccc2)c(S(=O)(=O)Cl)cc1OC	100027060	NSWWNIVBIJEOBL-UHFFFAOYSA-N	369.826	2.561	70	40	FFIB	
O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	217578994	SQZZFXSQRYPRGT-DOTOQJQBSA-N	361.445	2.908	70	40	FFIB	
COC(=O)CS[C@@H]1CCN(C(=O)CCc2ccc(Cl)c(F)c2)C1	217561216	OURPOQQDJRCPFZ-GFCCVEGCSA-N	359.850	2.919	70	40	FFIB	
O=C(Cc1cccs1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	217841572	HEQRCFVQTGBVCV-ZDUSSCGKSA-N	369.450	2.612	70	40	FFIB	
CN(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)cn1	585135410	IHDXZUQBANQGHO-UHFFFAOYSA-N	354.363	2.599	70	40	FFIB	
COc1cccc(Cn2cc([C@@H]3OCCN3c3cccc(OC)c3)nn2)c1	216765717	ISQXSTDRZLDXOX-FQEVSTJZSA-N	366.421	2.879	70	40	FFIB	
COc1ccc2[nH]c(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2c1	217582564	YHDHWWZFEOBTJL-DZGCQCFKSA-N	363.417	2.598	70	40	FFIB	
COc1ccc(-c2noc(CNC(=O)c3ccccc3OC)n2)c(OC)c1	218170048	NLEQPDUIBIIERU-UHFFFAOYSA-N	369.377	2.692	70	40	FFIB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)F)c1	100482520	MPAPXMJODIIRIM-RMKNXTFCSA-N	350.327	2.905	70	40	FFIB	
COc1cccc(CC(=O)NCc2nn(C3CCCC3)c3c2COCC3)c1	217587130	INPSRYOJOLIYDC-UHFFFAOYSA-N	369.465	2.938	70	40	FFIB	
Cc1ncncc1-c1nnc(C2CCN(C(=O)c3ccc(F)cc3)CC2)o1	216639252	SAVFQOUNXPONMV-UHFFFAOYSA-N	367.384	2.994	70	40	FFIB	
COc1cccc(Cn2cc([C@@H]3OCCN3c3ccccc3OC)nn2)c1	216763840	ZAPVEMXREDCRSV-FQEVSTJZSA-N	366.421	2.879	70	40	FFIB	
O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1cccc2ccccc12	159375223	FXNJWUKXDHDKCA-INIZCTEOSA-N	353.447	2.792	70	40	FFIB	
O=C(NC[C@H](O)c1ccc2c(c1)CCO2)c1cc(Br)cs1	217584593	RNMHYJUAPBQAQD-LBPRGKRZSA-N	368.252	2.909	70	40	FFIB	
Cc1cc(O[C@@H]2CCN(C(=O)c3nc4ccccc4s3)C2)cc(=O)n1C	217771451	BIJKKMOWRLMEHM-CYBMUJFWSA-N	369.446	2.597	70	40	FFIB	
Cc1c(Cl)cccc1NC(=O)C(=O)NCC[C@@H](O)c1ccsc1	217543148	VMAYGLZXFZOOFL-CQSZACIVSA-N	352.843	2.888	70	40	FFIB	
COc1cccc(Cn2cc([C@H]3OCCN3c3ccccc3OC)nn2)c1	216763882	ZAPVEMXREDCRSV-HXUWFJFHSA-N	366.421	2.879	70	40	FFIB	
COc1ccc([C@@H]2[C@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	218114782	DYWLYDLKBJLIIF-IXDOHACOSA-N	361.488	2.846	70	40	FFIB	
Cc1cc(I)ccc1NC(=O)[C@H]1CCCN(C)C1	216908480	CFBKHPBWYLDLOZ-NSHDSACASA-N	358.223	2.880	70	40	FFIB	
O=C1CS[C@@H](c2cn(Cc3ccc(F)cc3)nn2)N1Cc1ccco1	216684840	OMGISDOEEXTAOH-KRWDZBQOSA-N	358.398	2.833	70	40	FFIB	
O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccccc1Cl	217761147	SQFNVKJBNSZGCZ-YIONKMFJSA-N	360.841	2.554	70	40	FFIB	
CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ccccc2OC)C1	161109156	JLJWOVFKHVOKLX-WMZOPIPTSA-N	373.497	2.571	70	40	FFIB	
O=C1CN(C(=O)NCc2cccc(-c3ccccn3)c2)[C@@H]2CCCC[C@H]2N1	160181729	MTSCISVHRPZMMM-RTBURBONSA-N	364.449	2.701	70	40	FFIB	
COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1C	216844291	RFRRNOWLADYESX-UHFFFAOYSA-N	367.449	2.644	70	40	FFIB	
COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Cc1cccs1	217874121	HYPIRUHEKQONON-WFASDCNBSA-N	363.410	2.651	70	40	FFIB	
O=S(=O)(Nc1cnn(CC2CCOCC2)c1)c1ccc(F)c(Cl)c1	218242958	KKRBYQMPTLWNAE-UHFFFAOYSA-N	373.837	2.903	70	40	FFIB	
COc1ccc(S(=O)(=O)Cl)cc1CNC(=O)c1cccc(C)c1	100027197	NPWKMCZJIZGETO-UHFFFAOYSA-N	353.827	2.861	70	40	FFIB	
Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCCc1ccc(F)cc1	218577499	BRJWZDDUHNRJSA-UHFFFAOYSA-N	364.442	2.868	70	40	FFIB	
CC(C)(C)C(=O)[C@H]1[C@@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN21	217396961	UPJCBOWTRMHLOB-SMSPYCQASA-N	353.418	2.568	70	40	FFIB	
Cc1nnn([C@@]23C[C@H]4C[C@@H](C2)C[C@](C(=O)NCc2ccccc2)(C4)C3)n1	217528773	FEVLBGVFIOKUGT-KJWXAFIESA-N	351.454	2.593	70	40	FFIB	
O=C1CS[C@@H](c2cn(Cc3cccc(F)c3)nn2)N1Cc1ccco1	216686291	LEAJYUUVGCJYPL-KRWDZBQOSA-N	358.398	2.833	70	40	FFIB	
Cc1ccc(-c2noc(CN(C)C(=O)[C@H]3COc4ccccc4O3)n2)cc1	218301799	KKPNEECPMYJMEX-QGZVFWFLSA-N	365.389	2.843	70	40	FFIB	
Cc1cc(-c2ccncc2)nn1CCNC(=O)Cc1ccc(F)cc1F	217870280	QVNZTVCAYXBQHR-UHFFFAOYSA-N	356.376	2.891	70	40	FFIB	
O=S(=O)(Cc1cc(F)ccc1F)Nc1cnn(CC2CCOCC2)c1	218245761	AOAPHVPJWJXDCB-UHFFFAOYSA-N	371.409	2.530	70	40	FFIB	
CC(C)(C)OC(=O)CC[C@@H](N)C(=O)Oc1c(F)c(F)c(F)c(F)c1F	390822796	JYDWCLIUMMCVOP-ZCFIWIBFSA-N	369.286	2.737	70	40	FFIB	
O=C(c1cnc2ccccc2n1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217812445	OWSDJVPMPASZCX-ZDUSSCGKSA-N	363.421	2.985	70	40	FFIB	
CSc1ccccc1C(=O)N[C@@H](CN1C(=O)COC1=O)c1ccccc1	217980508	YBRWBIAIBKBTMP-HNNXBMFYSA-N	370.430	2.858	70	40	FFIB	
CN1C(=O)c2ccccc2N(C)[C@@H]1c1cn(Cc2ccc(F)cc2)nn1	216757613	UAKFJBFQICIFLK-SFHVURJKSA-N	351.385	2.686	70	40	FFIB	
Cn1nc(-c2ccccc2)cc1C(=O)Nc1cnn(CC2CCOCC2)c1	218202120	DRBXVVZOIXEJKM-UHFFFAOYSA-N	365.437	2.963	70	40	FFIB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1COc2ccccc2O1	218302696	YZERGCXUDCFLHZ-AWEZNQCLSA-N	371.418	2.987	70	40	FFIB	
CC(C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	1776007741	VSQMRZVSKIQKRX-OLZOCXBDSA-N	363.476	2.838	70	40	FFIB	
O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NC[C@H]1C[C@@H]2C=C[C@H]1C2	218102944	UWBBAXWNGNZFPC-XLNGHYISSA-N	371.872	2.829	70	40	FFIB	
O=C1Nc2ccccc2CC[C@@H]1Sc1nnnn1[C@@H]1C[C@@H]2C=C[C@H]1C2	217866599	OCOPKKJHPVKDAD-JMGFVUJMSA-N	353.451	2.856	70	40	FFIB	
O=S(=O)(Cc1cc(F)ccc1F)NC[C@@H]1CCCN1c1nccs1	217798460	ZGDWLOYAABQQNC-ZDUSSCGKSA-N	373.450	2.510	70	40	FFIB	
Cn1cccc1[C@H](O)CCNC(=O)CCc1ccccc1Br	217939428	WGSXGDPBWXBCAB-MRXNPFEDSA-N	365.271	2.960	70	40	FFIB	
COc1cc(CNC(=O)[C@H]2COc3ccccc3O2)ccc1OC(C)C	218297593	UOELXPNAOZMAFL-LJQANCHMSA-N	357.406	2.939	70	40	FFIB	
Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)c2cc3ccccc3o2)cc1F	218002776	VDJVQVJCSOZVSD-FQEVSTJZSA-N	370.380	2.843	70	40	FFIB	
CCCCOC(=O)c1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1	216848169	BWXVUTZLQZDBGS-UHFFFAOYSA-N	369.469	2.929	70	40	FFIB	
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCS[C@H]1c1ccsc1	217636602	YWUGGIIQUZPRRS-HNNXBMFYSA-N	369.489	2.956	70	40	FFIB	
CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)F)cc1	104169637	FWQVKRVMUGWICL-NYYWCZLTSA-N	364.354	2.929	70	40	FFIB	
O=C1CS[C@H](c2cn(Cc3cccc(F)c3)nn2)N1Cc1ccco1	216686338	LEAJYUUVGCJYPL-QGZVFWFLSA-N	358.398	2.833	70	40	FFIB	
COc1ccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccco3)nn2)cc1	216685505	MRRTXGMZJABPRN-SFHVURJKSA-N	370.434	2.702	70	40	FFIB	
O=C(Cc1cccs1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217841482	HEQRCFVQTGBVCV-CYBMUJFWSA-N	369.450	2.612	70	40	FFIB	
COc1ccc(S(=O)(=O)Cl)cc1CNC(=O)c1ccccc1F	100027195	PJDJKYRVXDVVFQ-UHFFFAOYSA-N	357.790	2.692	70	40	FFIB	
O=C(NCC[C@H](O)c1ccsc1)C(=O)Nc1cccc(C(F)(F)F)c1	217543443	MAHCLKYILUQMQJ-ZDUSSCGKSA-N	372.368	2.945	70	40	FFIB	
COc1ccccc1Cn1cc([C@@H]2SCC(=O)N2Cc2ccco2)nn1	216685395	WPLNRKUSKZCVDI-SFHVURJKSA-N	370.434	2.702	70	40	FFIB	
CCc1ccc(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1	218307686	QACBEXULCYVIOK-UHFFFAOYSA-N	372.556	2.663	70	40	FFIB	
CC(C)(C)OC(=O)CC[C@H](N)C(=O)Oc1c(F)c(F)c(F)c(F)c1F	390822795	JYDWCLIUMMCVOP-LURJTMIESA-N	369.286	2.737	70	40	FFIB	
Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1	218401908	LMNNTBKFEUBXJO-CQSZACIVSA-N	362.451	2.564	70	40	FFIB	
CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2ccccc2OC)C1	161109054	JLJWOVFKHVOKLX-FUHWJXTLSA-N	373.497	2.571	70	40	FFIB	
O=C(Cc1ccsc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	217846785	DTDCJIVXKYGFHU-CYBMUJFWSA-N	369.450	2.612	70	40	FFIB	
COC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1	218041670	BKLIRMFOFIJRBN-BQFCYCMXSA-N	361.488	2.545	70	40	FFIB	
CSc1ccc(-c2noc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)cc1	216672232	QMEBZWZKOPMEGI-GFCCVEGCSA-N	353.469	2.598	70	40	FFIB	
O=S(=O)(NC[C@H]1CCCN(c2nccs2)C1)c1c(F)cccc1F	218178943	MGGFQRCCMYLPSE-LLVKDONJSA-N	373.450	2.616	70	40	FFIB	
CCCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2ccccc2OC)C1	161108922	JLJWOVFKHVOKLX-AEFFLSMTSA-N	373.497	2.571	70	40	FFIB	
Cc1cc(CC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n[nH]1	160541349	IYKFWOGHIBKSKE-UHFFFAOYSA-N	352.360	2.628	70	40	FFIB	
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1ccc2nsnc2c1	218008154	NOWWICQYZNLERE-IBGZPJMESA-N	369.446	2.654	70	40	FFIB	
Cc1cccc(NC(=O)CS(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)c1	217434461	NMRRFTGATXSUON-UHFFFAOYSA-N	370.430	2.557	70	40	FFIB	
O=C(/C=C/c1ccc2c(c1)OCO2)NCc1nc(-c2cccs2)no1	217932632	NQLUPLLJCBZAOQ-GQCTYLIASA-N	355.375	2.856	70	40	FFIB	
Cc1cc(NC(=O)NCc2ccc([N+](=O)[O-])cc2)ccc1S(=O)(=O)F	100481905	GCFHUTPZEVWGKS-UHFFFAOYSA-N	367.358	2.883	70	40	FFIB	
Cc1ncncc1-c1nnc(C2CCN(C(=O)Cc3ccccc3)CC2)o1	216639115	MDDNFVVHHGPXQN-UHFFFAOYSA-N	363.421	2.784	70	40	FFIB	
Cc1cccc(-c2noc(CNC(=O)[C@@H]3COc4ccccc4O3)n2)c1	218300456	PISJIZXODCQYIQ-INIZCTEOSA-N	351.362	2.501	70	40	FFIB	
O=[N+]([O-])c1ccc(Br)cc1OS(=O)(=O)C(F)(F)F	136884426	PILDJOAJAARUJO-UHFFFAOYSA-N	350.068	2.586	70	40	FFIB	
O=[N+]([O-])c1c(Br)cccc1OS(=O)(=O)C(F)(F)F	247375524	IBUIWKRLTVCVAM-UHFFFAOYSA-N	350.068	2.586	70	40	FFIB	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)F)c1	100482516	MPAPXMJODIIRIM-TWGQIWQCSA-N	350.327	2.905	70	40	FFIB	
CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)C1	216908104	IZFPHGHCGDYTMK-SFHVURJKSA-N	365.477	2.939	70	40	FFIB	
COC[C@H](C)NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C	216892307	ATFGGGZERQWHAZ-ZDUSSCGKSA-N	374.462	2.565	70	40	FFIB	
COc1ccc(S(=O)(=O)NCC[C@@H](O)c2ccsc2)cc1Cl	217538588	ATVZMXQCCHPMPI-CYBMUJFWSA-N	361.872	2.812	70	40	FFIB	
O=C(NC[C@@H](O)c1ccc2c(c1)CCO2)c1cc(Br)cs1	217584513	RNMHYJUAPBQAQD-GFCCVEGCSA-N	368.252	2.909	70	40	FFIB	
O=S(=O)(Cl)c1cn(CC(F)F)nc1COCCC(F)(F)F	408716333	LQLDSSGRXZWDNQ-UHFFFAOYSA-N	356.700	2.545	70	40	FFIB	
O=C1Nc2ccccc2CC[C@@H]1Sc1nnnn1[C@H]1C[C@@H]2C=C[C@H]1C2	217866749	OCOPKKJHPVKDAD-XTBFLFJDSA-N	353.451	2.856	70	40	FFIB	
COc1cccc(-c2noc(CN(C)C(=O)COc3ccccc3)n2)c1	217824483	BZOKATRWPRJGBA-UHFFFAOYSA-N	353.378	2.783	70	40	FFIB	
Cc1cccc(-c2noc(CN(C)C(=O)[C@@H]3COc4ccccc4O3)n2)c1	218301641	VGNAADQRYSZUHX-KRWDZBQOSA-N	365.389	2.843	70	40	FFIB	
CCOC(=O)c1cccc(OC)c1OS(=O)(=O)c1ccc(C)cc1	216783311	LWSXEJUPGMMIEG-UHFFFAOYSA-N	350.392	2.948	70	40	FFIB	
CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)F)cc1	104169632	FWQVKRVMUGWICL-WCIBSUBMSA-N	364.354	2.929	70	40	FFIB	
O=C1C=CC(=O)N1c1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1	95698159	ZIBXBPSSORKTDL-UHFFFAOYSA-N	363.778	2.836	70	40	FFIB	
O=C1Nc2ccccc2CC[C@H]1Sc1nnnn1[C@@H]1C[C@@H]2C=C[C@H]1C2	217866669	OCOPKKJHPVKDAD-WXYCVUISSA-N	353.451	2.856	70	40	FFIB	
CCN1C(=O)CS[C@@H]1c1cn(Cc2cccc(Br)c2)nn1	216754525	IUEJKXNURSROMQ-CQSZACIVSA-N	367.272	2.683	70	40	FFIB	
O=C(NCC[C@H](O)c1ccsc1)C(=O)Nc1ccc(F)c(Cl)c1	217543242	RUMMOEVCGUITSV-ZDUSSCGKSA-N	356.806	2.719	70	40	FFIB	
C[C@H](C(=O)NCCC1=CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O	218449921	PGCGVPVZSIBXGU-CQSZACIVSA-N	368.474	2.987	70	40	FFIB	
COc1ccc([C@@H](O)CNC(=O)Cc2c(F)cccc2Cl)cc1OC	217496323	UVWOZWOLDBBMHO-HNNXBMFYSA-N	367.804	2.889	70	40	FFIB	
Cc1ncncc1-c1nnc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)o1	216661209	ASSBHTVMVGSDLY-CQSZACIVSA-N	367.384	2.994	70	40	FFIB	
O=S(=O)(F)c1ccc(S(=O)(=O)N[C@H]2CCC[C@H](C3CC3)C2)cc1	1776007437	CCVRLHGAIGQSJW-STQMWFEESA-N	361.460	2.592	70	40	FFIB	
C[C@](O)(CNC(=O)[C@@H]1COc2ccccc2O1)c1cc2ccccc2o1	217988867	MHIDIYMHCJBESG-PXNSSMCTSA-N	353.374	2.597	70	40	FFIB	
O=S(=O)(NC[C@@H]1CCCN(c2nccs2)C1)c1c(F)cccc1F	218178869	MGGFQRCCMYLPSE-NSHDSACASA-N	373.450	2.616	70	40	FFIB	
CSc1ccccc1-c1noc([C@H]2CCCN(S(C)(=O)=O)C2)n1	216672169	OCMCPRPLACSCNF-NSHDSACASA-N	353.469	2.598	70	40	FFIB	
COc1cc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1S(=O)(=O)F	104169033	YWRPKGSCPCPXIK-UHFFFAOYSA-N	370.314	2.873	70	40	FFIB	
Cc1cc(OC2CN(C(=O)c3ccc(Cl)cc3Cl)C2)cc(=O)n1C	217756477	PVLWKYYTZMHXAM-UHFFFAOYSA-N	367.232	2.904	70	40	FFIB	
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=S)Nc1ccccc1	217934512	SYTKJWWSAZOWAH-UHFFFAOYSA-N	361.492	2.696	70	40	FFIB	
CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)C1	216908070	IZFPHGHCGDYTMK-GOSISDBHSA-N	365.477	2.939	70	40	FFIB	
COc1cccc(Cn2cc([C@@H]3OCCN3Cc3ccccc3)nn2)c1	216773251	JGYQQGJKNKGVSY-FQEVSTJZSA-N	350.422	2.866	70	40	FFIB	
C=CCOC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)F	103659512	XBBNCQJYWCTGHQ-UHFFFAOYSA-N	356.162	2.876	70	40	FFIB	
CN1CCN(CCCNC(=O)c2ccccc2OCc2ccccc2)CC1	217013627	WVBHEUOYLBTYEW-UHFFFAOYSA-N	367.493	2.633	70	40	FFIB	
O=C(Nc1cnn(CC2CCOCC2)c1)C1(c2ccccc2)CCOCC1	218223260	CSVVMFXXZOGWCR-UHFFFAOYSA-N	369.465	2.997	70	40	FFIB	
O=C1CS[C@@H](c2cn(Cc3ccccc3F)nn2)N1Cc1ccco1	216684734	ONNHNPPFYBHNLM-KRWDZBQOSA-N	358.398	2.833	70	40	FFIB	
O=S(=O)(NCCn1nc(-c2ccsc2)cc1C1CC1)c1cccnc1	217881981	AZZLVAOYWJPOKJ-UHFFFAOYSA-N	374.491	2.863	70	40	FFIB	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCOc2cc(F)ccc2C1	1614995053	UINJUUYLFNJYIZ-UHFFFAOYSA-N	353.346	2.519	70	40	FFIB	
Cc1nc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2nc1C	218093928	BHWSJCLIPNRIHH-DOTOQJQBSA-N	374.444	2.668	70	40	FFIB	
CCc1ccc(CC(=O)NCc2cccc(CN3CCOCC3)c2)cc1	160975090	REUCBDNKDACCBS-UHFFFAOYSA-N	352.478	2.940	70	40	FFIB	
CN(c1ccccc1C(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O	218341065	HBZLNTXYRMJABN-UHFFFAOYSA-N	364.442	2.584	70	40	FFIB	
COc1ccc(NC(=O)[C@@]23C[C@@H]4C[C@@H](C[C@@](n5nnc(C)n5)(C4)C2)C3)cc1	217551541	WUGWZTPYNKGURL-FYXYJPLOSA-N	367.453	2.924	70	40	FFIB	
Cc1ncncc1-c1nnc([C@@H]2CCCN(C(=O)c3cccs3)C2)o1	216661423	XLWPZVHIDNRWLU-GFCCVEGCSA-N	355.423	2.916	70	40	FFIB	
O=C(c1noc2c1CCCC2)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217815284	SGLHEUSOGKJJSE-LBPRGKRZSA-N	356.426	2.909	70	40	FFIB	
CCN1C(=O)CS[C@H]1c1cn(Cc2cccc(Br)c2)nn1	216754575	IUEJKXNURSROMQ-AWEZNQCLSA-N	367.272	2.683	70	40	FFIB	
Cc1cc(S(=O)(=O)F)ccc1NC(=O)NCc1ccc([N+](=O)[O-])cc1	104169578	MNTOLWHQWRLUGA-UHFFFAOYSA-N	367.358	2.883	70	40	FFIB	
O=S(=O)(NCCSC1CCOCC1)c1ccc2c(c1)CCCC2	217710476	OGQMBLCKQCPBAX-UHFFFAOYSA-N	355.525	2.756	70	40	FFIB	
Cc1c(Cl)cccc1NC(=O)C(=O)NCC[C@H](O)c1ccsc1	217543062	VMAYGLZXFZOOFL-AWEZNQCLSA-N	352.843	2.888	70	40	FFIB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(S(=O)(=O)F)c1	104170239	ZGWGSLLBZJPDDK-BQYQJAHWSA-N	350.327	2.905	70	40	FFIB	
O=C1CS[C@H](c2cn(Cc3ccc(F)cc3)nn2)N1Cc1ccco1	216684887	OMGISDOEEXTAOH-QGZVFWFLSA-N	358.398	2.833	70	40	FFIB	
COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(C)oc1C	217873585	BLWKSSWEHGHEQI-CJNGLKHVSA-N	361.369	2.871	70	40	FFIB	
CSc1ccc(CCC(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)cc1	217784261	SGGSITUCVZQGND-CYBMUJFWSA-N	364.492	2.637	70	40	FFIB	
CN1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1	216921299	ARFRZLFGMCTFIB-UHFFFAOYSA-N	355.404	2.696	70	40	FFIB	
O=S(=O)(F)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1F	1776011220	QPYJARVQIPGZSP-UHFFFAOYSA-N	367.782	2.938	70	40	FFIB