0 B18R2.9259 CN1C=CC(CSc2ccc(F)cc2)=CC1=O Amb19437575 [0,0,0,0,0,0|3,1,0]=4 1 B18R2.9259 Cc1ccc(cc1)SCC2=CC(=O)C(O)=CO2 Amb21176408 [0,0,0,0,0,0|1,1,0]=2 2 B18R2.9259 Fc1ccc(cc1)NCc2ccc(c(c2)C)F Amb17408175 [0,0,0,0,0,0|4,0,0]=4 3 B18R2.9259 NC1=CN=C(COc2ccc(Cl)cc2)NC1=O Amb18531754 [0,0,0,0,0,0|3,1,0]=4 4 B18R2.9259 OC1=COC(CSc2ccc(Br)cc2)=CC1=O Amb21176416 [0,0,0,0,0,0|0,2,0]=2 5 B18R2.9259 OC1=COC(CSc2ccc(Cl)cc2)=CC1=O Amb21176402 [0,0,0,0,0,0|0,2,0]=2 6 B18R2.9259 OC1=COC(CSc2ccc(F)cc2)=CC1=O Amb21176422 [0,0,0,0,0,0|0,1,0]=1 7 B18R2.9259 Oc1ccc(cc1)OCc2ccc(c(c2)C)C Amb17248169 [0,0,0,0,0,0|4,0,0]=4 8 B17R2.193 NC1=CN=C(COc2ccccc2)NC1=O Amb18531749 [1,0,0,0,0,0|3,0,0]=4 9 B17R2.193 OC1=COC(CSc2[n]ccc[n]2)=CC1=O Amb18384442 [1,0,0,0,0,0|2,1,0]=4 10 B17R2.193 OC1=COC(CSc2cccc[n]2)=CC1=O Amb24298724 [1,0,0,0,0,0|1,1,0]=3 11 B17R2.207 Brc1ccc(COc2ccc(I)cc2)cc1 Amb22275222 [1,0,0,0,0,0|2,1,0]=4 12 B17R2.207 Cc1ccc(COc2ccc(C)cc2)cc1 Amb22275270 [1,0,0,0,0,0|3,0,0]=4 13 B17R2.207 Cc1ccc(COc2ccc(Cl)cc2)cc1 Amb22275062 [1,0,0,0,0,0|2,1,0]=4 14 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)N Amb1121413 [1,0,0,0,0,0|3,0,0]=4 15 B17R2.207 Cc1ccc(cc1)OCc2ccc(Br)cc2 Amb24064692 [1,0,0,0,0,0|3,0,0]=4 16 B17R2.207 Cc1ccc(cc1)OCc2ccc(F)cc2 Amb22266317 [1,0,0,0,0,0|3,0,0]=4 17 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)Cl Amb1547339 [1,0,0,0,0,0|2,1,0]=4 18 B17R2.207 Fc1ccc(cc1)OCc2ccc(Br)cc2 Amb22275149 [1,0,0,0,0,0|2,0,0]=3 19 B17R2.207 Fc1ccc(cc1)OCc2ccc(Cl)cc2 Amb20679509 [1,0,0,0,0,0|2,0,0]=3 20 B17R2.207 Nc1ccc(cc1)COc2ccc(cc2)Br Amb2371348 [1,0,0,0,0,0|2,1,0]=4 21 B17R2.207 Nc1ccc(cc1)COc2ccc(cc2)Cl Amb1128477 [1,0,0,0,0,0|2,1,0]=4 22 B17R2.207 Nc1ccc(cc1)CSc2ccc(cc2)F Amb2414977 [1,0,0,0,0,0|2,1,0]=4 23 B17R2.207 Nc1ccc(cc1)OCc2ccc(cc2)Cl Amb1395344 [1,0,0,0,0,0|3,0,0]=4 24 B17R2.207 Nc1ccc(cc1)OCc2ccc(cc2)F Amb1119010 [1,0,0,0,0,0|3,0,0]=4 25 B17R2.207 Nc1cnc(nc1)COc2ccc(cc2)F Amb17486603 [1,0,0,0,0,0|3,0,0]=4 26 B17R2.207 Oc1ccc(cc1)C#Cc2ccc(cc2)F Amb10839829 [1,0,0,0,0,0|2,0,1]=4 27 B17R2.207 Oc1ccc(cc1)CCc2ccc(cc2)Cl Amb2413167 [1,0,0,0,0,0|2,1,0]=4 28 B17R2.207 Oc1ccc(cc1)CCc2ccc(cc2)O Amb2445097 [1,0,0,0,0,0|3,0,0]=4 29 B17R2.215 Brc1cc(COc2ccc(I)cc2)ccc1 Amb22269805 [1,0,0,0,0,0|2,1,0]=4 30 B17R2.215 Cc1ccc(cc1)OCc2cc(Cl)ccc2 Amb22266319 [1,0,0,0,0,0|3,0,0]=4 31 B17R2.215 Clc1ccc(cc1)OCc2cccc(Cl)c2 Amb22285344 [1,0,0,0,0,0|2,1,0]=4 32 B17R2.215 Fc1ccc(cc1)OCc2cc(Br)ccc2 Amb21130855 [1,0,0,0,0,0|2,0,0]=3 33 B17R2.215 Fc1ccc(cc1)OCc2cc(Cl)ccc2 Amb20679510 [1,0,0,0,0,0|2,0,0]=3 34 B17R2.215 Fc1ccc(cc1)OCc2cccc(F)c2 Amb22269759 [1,0,0,0,0,0|2,0,0]=3 35 B17R2.215 Nc1cc[n]c(COc2ccc(F)cc2)[n]1 Amb18067495 [1,0,0,0,0,0|3,0,0]=4 36 B17R2.215 Nc1ccc(cc1)OCc2cccc(c2)Br Amb1135336 [1,0,0,0,0,0|3,0,0]=4 37 B17R2.215 Nc1ccc(cc1)OCc2cccc(c2)C Amb1119835 [1,0,0,0,0,0|3,0,0]=4 38 B17R2.215 Nc1ccc(cc1)OCc2cccc(c2)F Amb1117692 [1,0,0,0,0,0|3,0,0]=4 39 B19R2.2679 COC1=CNC(CSc2ccc(F)cc2)=CC1=O Amb18384440 [0,1,0,0,0,0|1,1,0]=3 40 B19R2.2679 COC1=COC(CSc2ccc(Cl)cc2)=CC1=O Amb22471188 [0,1,0,0,0,0|0,2,0]=3 41 B19R2.2679 COc1ccc(cc1C)COc2ccc(cc2)O Amb17257086 [0,1,0,0,0,0|3,0,0]=4 42 B19R2.2679 COc1ccc(cc1Cl)CNc2ccc(cc2)F Amb1882528 [0,1,0,0,0,0|3,0,0]=4 43 B19R2.2679 COc1ccc(cc1Cl)COc2ccc(cc2)O Amb17271370 [0,1,0,0,0,0|3,0,0]=4 44 B19R2.2847 Oc1ccc(cc1C=O)\N=N\c2ccc(F)cc2 Amb20411372 [0,1,0,0,0,0|3,0,0]=4 45 B19R2.4993 COc1ccc(cc1)SCC2=CC(=O)C(O)=CO2 Amb21176437 [0,1,0,0,0,0|1,1,0]=3 46 B19R2.51035 CN1C=CC(COc2ccc(F)cc2Br)=CC1=O Amb19346202 [0,1,0,0,0,0|3,0,0]=4 47 B19R2.51035 Cc1ccc(SCC2=CC(=O)C(O)=CO2)c(C)c1 Amb21176301 [0,1,0,0,0,0|1,1,0]=3 48 B19R2.149413 Cc1cc(ccc1C)SCC2=CC(=O)C(O)=CO2 Amb21176421 [0,1,0,0,0,0|1,1,0]=3 49 B17R2.472 Cc1cc([n]cc1N)Oc2ccc(F)cc2 Amb24086478 [0,0,0,0,1,0|3,0,0]=4 50 B17R2.472 Cc1ccc(cc1)Oc2cc(N)c(O)cc2 Amb22486070 [0,0,0,0,1,0|3,0,0]=4 51 B17R2.472 Fc1ccc(cc1)Cc2ccc(c(c2)C)N Amb17140927 [0,0,0,0,1,0|3,0,0]=4 52 B17R2.472 Fc1ccc(cc1)Cc2ccc(c(c2)N)C Amb17140924 [0,0,0,0,1,0|3,0,0]=4 53 B17R2.472 Fc1ccc(cc1)Cc2ccc(c(c2)N)Cl Amb17158075 [0,0,0,0,1,0|3,0,0]=4 54 B17R2.472 Oc1ccc(cc1)Cc2ccc(c(c2)C)O Amb17595818 [0,0,0,0,1,0|3,0,0]=4 55 B17R2.472 Oc1ccc(cc1)Oc2cc(O)c(O)cc2 Amb24060572 [0,0,0,0,1,0|2,0,1]=4 56 B16R2.132 Brc1ccc(cc1)OCc2ccccc2 Amb2447239 [2,0,0,0,0,0|1,1,0]=4 57 B16R2.132 Fc1ccc(CCc2ccccc2)cc1 Amb22489026 [2,0,0,0,0,0|2,0,0]=4 58 B16R2.132 Fc1ccc([n]c1)OCc2ccccc2 Amb19959570 [2,0,0,0,0,0|2,0,0]=4 59 B16R2.132 Fc1ccc(cc1)OCc2cccc[n]2 Amb22454031 [2,0,0,0,0,0|1,0,0]=3 60 B16R2.132 Ic1ccc(COc2ccccc2)cc1 Amb25828841 [2,0,0,0,0,0|2,0,0]=4 61 B16R2.132 Ic1ccc(cc1)OCc2cccc[n]2 Amb20627464 [2,0,0,0,0,0|1,1,0]=4 62 B16R2.132 Nc1ccc(cc1)COc2ccccc2 Amb1136463 [2,0,0,0,0,0|2,0,0]=4 63 B16R2.132 Nc1ccc(cc1)OCc2cccc[n]2 Amb22279532 [2,0,0,0,0,0|2,0,0]=4 64 B16R2.132 Nc1ccc(cc1)OCc2ccccc2 Amb22489506 [2,0,0,0,0,0|2,0,0]=4 65 B16R2.132 Nc1ccc(cc1)OCc2ccccn2 Amb1099016 [2,0,0,0,0,0|2,0,0]=4 66 B16R2.132 Oc1ccc(CCc2ccccc2)cc1 Amb24066192 [2,0,0,0,0,0|2,0,0]=4 67 B16R2.132 Oc1ccc(cc1)CNc2ccccc2 Amb10609692 [2,0,0,0,0,0|2,0,0]=4 68 B16R2.132 Oc1ccc(cc1)OCc2ccccc2 Amb1228378 [2,0,0,0,0,0|2,0,0]=4 69 B16R2.132 [NH3+]c1ccc(cc1)OCc2ccccc2 Amb24113829 [2,0,0,0,0,0|2,0,0]=4 70 B16R2.252 Clc1cc(COc2ccccc2)[n]cc1 Amb24392355 [2,0,0,0,0,0|2,0,0]=4 71 B16R2.252 Clc1cc(COc2ccccc2)ccc1 Amb22285366 [2,0,0,0,0,0|2,0,0]=4 72 B16R2.252 Oc1cc(COc2ccccc2)ccc1 Amb23443322 [2,0,0,0,0,0|1,0,1]=4 73 B18R2.2562 COC1=COC(CSc2ccccc2)=CC1=O Amb22471189 [1,1,0,0,0,0|0,1,0]=3 74 B18R2.2562 COc1ccc(COc2ccccc2)cc1F Amb22275873 [1,1,0,0,0,0|2,0,0]=4 75 B18R2.39765 OC1=COC(CSc2ccccc2Br)=CC1=O Amb21176532 [1,1,0,0,0,0|0,1,0]=3 76 B18R2.39765 OC1=COC(CSc2ccccc2Cl)=CC1=O Amb21176405 [1,1,0,0,0,0|0,1,0]=3 77 B18R2.39765 OC1=COC(CSc2ccccc2F)=CC1=O Amb19339977 [1,1,0,0,0,0|0,1,0]=3 78 B18R2.9252 Clc1ccc(cc1)COc2ccc(cc2Cl)F Amb10766348 [1,1,0,0,0,0|2,0,0]=4 79 B18R2.9252 Clc1ccc(cc1)COc2ccc(cc2N)F Amb17413616 [1,1,0,0,0,0|2,0,0]=4 80 B18R2.9252 Fc1ccc(cc1)OCc2ccc(Br)cc2F Amb22289318 [1,1,0,0,0,0|2,0,0]=4 81 B18R2.9252 Fc1ccc(cc1)OCc2ccc(Cl)cc2Cl Amb22269758 [1,1,0,0,0,0|2,0,0]=4 82 B18R2.9252 Fc1ccc(cc1)OCc2ccc(F)cc2Br Amb22472558 [1,1,0,0,0,0|2,0,0]=4 83 B18R2.9252 Fc1ccc(cc1)OCc2ccc(F)cc2Cl Amb20679513 [1,1,0,0,0,0|2,0,0]=4 84 B18R2.1492 COc1cccc(COc2ccc(F)cc2)c1 Amb22275069 [1,1,0,0,0,0|1,0,1]=4 85 B18R2.65901 Fc1ccc(OCc2cc(Br)ccc2)c(Cl)c1 Amb22269739 [1,1,0,0,0,0|2,0,0]=4 86 B18R2.65901 Fc1ccc(c(c1)N)OCc2cccc(c2)Cl Amb17413615 [1,1,0,0,0,0|2,0,0]=4 87 B18R2.2571 COc1ccc(cc1N)Cc2ccc(cc2)F Amb17142724 [0,1,0,0,1,0|2,0,0]=4 88 B20R2.2795 COC1=COC(=CC1=O)C(=O)Nc2ccc(F)cc2 Amb19836046 [0,2,0,0,0,0|1,0,1]=4 89 B20R2.5590 COC1=COC(COc2ccc(cc2)SC)=CC1=O Amb22524538 [0,2,0,0,0,0|1,0,0]=3 90 B20R2.16007 OC(=O)C1=CN=C(COc2ccc(F)cc2)NC1=O Amb18042241 [0,2,0,0,0,0|2,0,0]=4 91 B20R2.2387056 COc1ccc(cc1C)COc2ccc(cc2N)F Amb17416270 [0,2,0,0,0,0|2,0,0]=4 92 B20R2.2387056 COc1ccc(cc1F)COc2ccc(cc2N)F Amb17417805 [0,2,0,0,0,0|2,0,0]=4 93 B20R2.15384 [O-][N+](=O)c1ccc(cc1)OCC2=CC(=O)C(O)=CO2 Amb22450583 [0,2,0,0,0,0|1,0,0]=3 94 B18R2.9260 Fc1ccc(cc1)OCc2onc(c2)C(=O)O Amb1101686 [0,0,1,1,0,0|2,0,0]=4 95 B18R3.6310 O=c1cc2CNc3c(n2cc1O)cccc3 Amb10976665 [1,0,0,1,0,0|2,0,0]=4 96 B18R3.6310 OC1=CN2C(CNc3ccccc23)=CC1=O Amb20413981 [1,0,0,1,0,0|2,0,0]=4 97 B16R2.124 Cc1cc(Cc2ccccc2)ccc1O Amb24065834 [1,0,0,0,1,0|2,0,0]=4 98 B16R2.124 Nc1cc(Cc2ccccc2)ccc1O Amb18285718 [1,0,0,0,1,0|2,0,0]=4 99 B16R2.124 Nc1cc(ccc1O)Oc2ccccc2 Amb18555885 [1,0,0,0,1,0|2,0,0]=4 100 B16R2.124 Oc1ccc(Cc2ccccc2)cc1Cl Amb24065833 [1,0,0,0,1,0|2,0,0]=4 101 B16R2.124 Oc1ccc(Cc2ccccc2)cc1O Amb24060583 [1,0,0,0,1,0|1,0,1]=4 102 B16R2.33 Cc1ccc(cc1)Oc2ccc(cc2)O Amb1106395 [1,0,0,0,1,0|2,0,0]=4 103 B16R2.33 Fc1ccc(cc1)Oc2ccc(Br)cc2 Amb22227903 [1,0,0,0,1,0|2,0,0]=4 104 B16R2.33 Fc1ccc(cc1)Oc2ccc(S)cc2 Amb22755897 [1,0,0,0,1,0|1,1,0]=4 105 B16R2.33 Fc1ccc(cc1)Oc2ccc(cc2)I Amb10841344 [1,0,0,0,1,0|2,0,0]=4 106 B16R2.33 Fc1ccc(cc1)Oc2ccc(cn2)N Amb1135502 [1,0,0,0,1,0|2,0,0]=4 107 B16R2.33 Nc1c[n]c(cc1)Oc2ccc(F)cc2 Amb22587184 [1,0,0,0,1,0|2,0,0]=4 108 B16R2.33 Nc1ccc(cc1)Cc2ccc(cc2)F Amb17101867 [1,0,0,0,1,0|2,0,0]=4 109 B16R2.33 Nc1ccc(cc1)Oc2ccc(cc2)O Amb10576282 [1,0,0,0,1,0|2,0,0]=4 110 B16R2.33 Oc1ccc(Cc2ccc(O)cc2)cc1 Amb22338183 [1,0,0,0,1,0|2,0,0]=4 111 B16R2.33 Oc1ccc(cc1)Oc2ccc(cc2)O Amb2226950 [1,0,0,0,1,0|2,0,0]=4 112 B16R2.137 Cc1ccc(cc1)OCc2ccc(Br)o2 Amb25274907 [1,0,0,0,1,0|2,0,0]=4 113 B16R2.137 Clc1ccc(cc1)OCc2ccc(Br)o2 Amb24435197 [1,0,0,0,1,0|1,1,0]=4 114 B16R2.137 Fc1ccc(c[n]1)OCc2ccc(Br)o2 Amb24377496 [1,0,0,0,1,0|2,0,0]=4 115 B16R2.137 Fc1ccc(cc1)OCc2cc(Br)[n]o2 Amb23449488 [1,0,0,0,1,0|2,0,0]=4 116 B16R2.137 Fc1ccc(cc1)OCc2ccc(Br)[s]2 Amb24661723 [1,0,0,0,1,0|1,1,0]=4 117 B16R2.137 Fc1ccc(cc1)OCc2ccc(Cl)[s]2 Amb20716815 [1,0,0,0,1,0|1,1,0]=4 118 B16R2.131 Cc1cc(ccc1)Oc2ccc(F)cc2 Amb22230826 [1,0,0,0,1,0|2,0,0]=4 119 B16R2.131 Fc1ccc(cc1)Cc2cccc(c2)N Amb17139840 [1,0,0,0,1,0|2,0,0]=4 120 B16R2.131 Nc1cc(ccc1)Oc2ccc(F)cc2 Amb24105794 [1,0,0,0,1,0|2,0,0]=4 121 B16R2.2864 Cc1cc(ccc1O)-c2ccc(F)cc2 Amb21856716 [0,0,0,0,2,0|2,0,0]=4 122 B16R2.2864 Fc1ccc(cc1)c2ccc(c(c2)Cl)O Amb17137469 [0,0,0,0,2,0|2,0,0]=4