0 B18R2.9259 CN1C=CC(CSc2ccc(F)cc2)=CC1=O Amb19437575 [0,0,0,0,0,0|3,0,0]=3 1 B18R2.9259 CN1C=CC(CSc2ccc(O)cc2)=CC1=O Amb19442985 [0,0,0,0,0,0|4,0,0]=4 2 B18R2.9259 Cc1ccc(cc1)SCC2=CC(=O)C(O)=CO2 Amb21176408 [0,0,0,0,0,0|1,0,0]=1 3 B18R2.9259 Fc1ccc(cc1)NCc2ccc(c(c2)C)F Amb17408175 [0,0,0,0,0,0|4,0,0]=4 4 B18R2.9259 OC1=COC(CSc2ccc(Br)cc2)=CC1=O Amb21176416 [0,0,0,0,0,0|0,1,0]=1 5 B18R2.9259 OC1=COC(CSc2ccc(Cl)cc2)=CC1=O Amb21176402 [0,0,0,0,0,0|0,1,0]=1 6 B18R2.9259 OC1=COC(CSc2ccc(F)cc2)=CC1=O Amb21176422 [0,0,0,0,0,0|0,0,0]=0 7 B17R2.193 OC1=COC(CSc2[n]ccc[n]2)=CC1=O Amb18384442 [1,0,0,0,0,0|2,0,0]=3 8 B17R2.193 OC1=COC(CSc2cccc[n]2)=CC1=O Amb24298724 [1,0,0,0,0,0|1,0,0]=2 9 B17R2.207 *c1ccc(cc1)CSc2ccc(cc2)O Amb10075597 [1,0,0,0,0,0|3,0,0]=4 10 B17R2.207 Fc1ccc(cc1)OCc2ccc(Br)cc2 Amb22275149 [1,0,0,0,0,0|2,1,0]=4 11 B17R2.207 Fc1ccc(cc1)OCc2ccc(Cl)cc2 Amb20679509 [1,0,0,0,0,0|2,1,0]=4 12 B17R2.207 Nc1ccc(cc1)CSc2ccc(cc2)Cl Amb2414967 [1,0,0,0,0,0|2,1,0]=4 13 B17R2.207 Nc1ccc(cc1)CSc2ccc(cc2)F Amb2414977 [1,0,0,0,0,0|2,0,0]=3 14 B17R2.207 Oc1ccc(cc1)C#Cc2ccc(cc2)F Amb10839829 [1,0,0,0,0,0|2,0,1]=4 15 B17R2.207 Oc1ccc(cc1)CCc2ccc(cc2)Cl Amb2413167 [1,0,0,0,0,0|2,1,0]=4 16 B17R2.207 Oc1ccc(cc1)CCc2ccc(cc2)O Amb2445097 [1,0,0,0,0,0|3,0,0]=4 17 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)Cl Amb1833858 [1,0,0,0,0,0|3,0,0]=4 18 B17R2.215 Clc1ccc(cc1)SCc2cc(Br)ccc2 Amb22275199 [1,0,0,0,0,0|2,1,0]=4 19 B17R2.215 Fc1ccc(cc1)OCc2cc(Br)ccc2 Amb21130855 [1,0,0,0,0,0|2,1,0]=4 20 B17R2.215 Fc1ccc(cc1)OCc2cc(Cl)ccc2 Amb20679510 [1,0,0,0,0,0|2,1,0]=4 21 B17R2.215 Fc1ccc(cc1)OCc2cccc(F)c2 Amb22269759 [1,0,0,0,0,0|2,1,0]=4 22 B17R2.215 Fc1ccc(cc1)SCc2ccnc(c2)Cl Amb11198966 [1,0,0,0,0,0|3,0,0]=4 23 B19R2.2679 COC1=CNC(CSc2ccc(F)cc2)=CC1=O Amb18384440 [0,1,0,0,0,0|1,0,0]=2 24 B19R2.2679 COC1=COC(CSc2ccc(Cl)cc2)=CC1=O Amb22471188 [0,1,0,0,0,0|0,1,0]=2 25 B19R2.2679 COc1ccc(CSc2ccc(Cl)cc2)cc1Br Amb23913221 [0,1,0,0,0,0|2,1,0]=4 26 B19R2.2679 COc1ccc(cc1Cl)CNc2ccc(cc2)F Amb1882528 [0,1,0,0,0,0|3,0,0]=4 27 B19R2.2847 Oc1ccc(cc1C=O)\N=N\c2ccc(F)cc2 Amb20411372 [0,1,0,0,0,0|3,0,0]=4 28 B19R2.4993 COc1ccc(cc1)SCC2=CC(=O)C(O)=CO2 Amb21176437 [0,1,0,0,0,0|1,0,0]=2 29 B19R2.51035 Cc1ccc(SCC2=CC(=O)C(O)=CO2)c(C)c1 Amb21176301 [0,1,0,0,0,0|1,0,0]=2 30 B19R2.149413 Cc1cc(ccc1C)SCC2=CC(=O)C(O)=CO2 Amb21176421 [0,1,0,0,0,0|1,0,0]=2 31 B19R2.1294342 CC1=C(N)N=C(CSc2ccc(F)cc2)NC1=O Amb24015390 [0,1,0,0,0,0|3,0,0]=4 32 B19R2.1294342 CC=1N=C(CSc2ccc(F)cc2)NC(=O)C1F Amb24015392 [0,1,0,0,0,0|3,0,0]=4 33 B17R2.472 Fc1ccc(cc1)Cc2ccc(c(c2)C)N Amb17140927 [0,0,0,0,1,0|3,0,0]=4 34 B17R2.472 Fc1ccc(cc1)Cc2ccc(c(c2)N)C Amb17140924 [0,0,0,0,1,0|3,0,0]=4 35 B17R2.472 Fc1ccc(cc1)Cc2ccc(c(c2)N)Cl Amb17158075 [0,0,0,0,1,0|3,0,0]=4 36 B17R2.472 Oc1ccc(cc1)Cc2ccc(c(c2)C)O Amb17595818 [0,0,0,0,1,0|3,0,0]=4 37 B17R2.18661 Cc1c[s]c([n]1)SCC2=CC(=O)C(O)=CO2 Amb21623961 [0,0,0,0,1,0|3,0,0]=4 38 B16R2.132 Brc1ccc(CSc2ccccc2)cc1 Amb22482416 [2,0,0,0,0,0|2,0,0]=4 39 B16R2.132 Brc1ccc(cc1)SCc2cccc[n]2 Amb20920761 [2,0,0,0,0,0|1,1,0]=4 40 B16R2.132 Fc1ccc(CCc2ccccc2)cc1 Amb22489026 [2,0,0,0,0,0|2,0,0]=4 41 B16R2.132 Fc1ccc(cc1)OCc2cccc[n]2 Amb22454031 [2,0,0,0,0,0|1,1,0]=4 42 B16R2.132 Oc1ccc(CCc2ccccc2)cc1 Amb24066192 [2,0,0,0,0,0|2,0,0]=4 43 B16R2.132 Oc1ccc(cc1)CNc2ccccc2 Amb10609692 [2,0,0,0,0,0|2,0,0]=4 44 B16R2.132 Oc1ccc(cc1)SCc2ccccc2 Amb22353244 [2,0,0,0,0,0|2,0,0]=4 45 B18R2.2562 COC1=COC(CSc2ccccc2)=CC1=O Amb22471189 [1,1,0,0,0,0|0,0,0]=2 46 B18R2.39765 OC1=COC(CSc2ccccc2Br)=CC1=O Amb21176532 [1,1,0,0,0,0|0,0,0]=2 47 B18R2.39765 OC1=COC(CSc2ccccc2Cl)=CC1=O Amb21176405 [1,1,0,0,0,0|0,0,0]=2 48 B18R2.39765 OC1=COC(CSc2ccccc2F)=CC1=O Amb19339977 [1,1,0,0,0,0|0,0,0]=2 49 B18R2.65908 Cc1cc[n]c([n]1)SCC2=CC(=O)C(O)=CO2 Amb24120589 [1,1,0,0,0,0|2,0,0]=4 50 B18R2.52 COc1ccc(CSc2ccc(Br)cc2)cc1 Amb22449264 [1,1,0,0,0,0|1,1,0]=4 51 B18R2.52 OCc1c[n]c(CSc2ccc(F)cc2)[n]c1 Amb24015487 [1,1,0,0,0,0|2,0,0]=4 52 B18R2.2571 COc1ccc(cc1N)Cc2ccc(cc2)F Amb17142724 [0,1,0,0,1,0|2,0,0]=4 53 B18R2.2571 Cc1cc(ccc1CO)Sc2ccc(F)cc2 Amb23974633 [0,1,0,0,1,0|2,0,0]=4 54 B20R2.2795 COC1=COC(=CC1=O)C(=O)Nc2ccc(F)cc2 Amb19836046 [0,2,0,0,0,0|1,0,1]=4 55 B20R2.5590 COC1=COC(COc2ccc(cc2)SC)=CC1=O Amb22524538 [0,2,0,0,0,0|1,1,0]=4 56 B20R2.16007 OC(=O)C1=CN=C(CSc2ccc(F)cc2)NC1=O Amb24015477 [0,2,0,0,0,0|2,0,0]=4 57 B20R2.15384 [O-][N+](=O)c1ccc(cc1)OCC2=CC(=O)C(O)=CO2 Amb22450583 [0,2,0,0,0,0|1,1,0]=4 58 B18R3.6310 O=c1cc2CNc3c(n2cc1O)cccc3 Amb10976665 [1,0,0,1,0,0|2,0,0]=4 59 B18R3.6310 OC1=CN2C(CNc3ccccc23)=CC1=O Amb20413981 [1,0,0,1,0,0|2,0,0]=4 60 B16R2.124 Cc1cc(Cc2ccccc2)ccc1O Amb24065834 [1,0,0,0,1,0|2,0,0]=4 61 B16R2.124 Nc1cc(Cc2ccccc2)ccc1O Amb18285718 [1,0,0,0,1,0|2,0,0]=4 62 B16R2.124 Oc1ccc(Cc2ccccc2)cc1Cl Amb24065833 [1,0,0,0,1,0|2,0,0]=4 63 B16R2.124 Oc1ccc(Cc2ccccc2)cc1O Amb24060583 [1,0,0,0,1,0|1,0,1]=4 64 B16R2.33 Nc1ccc(cc1)Cc2ccc(cc2)F Amb17101867 [1,0,0,0,1,0|2,0,0]=4 65 B16R2.33 Nc1ccc(cc1)Sc2ccc(cc2)F Amb2433853 [1,0,0,0,1,0|2,0,0]=4 66 B16R2.33 Oc1ccc(Cc2ccc(O)cc2)cc1 Amb22338183 [1,0,0,0,1,0|2,0,0]=4 67 B16R2.33 Oc1ccc(cc1)Sc2ccc(cc2)O Amb1016532 [1,0,0,0,1,0|2,0,0]=4 68 B16R2.137 Brc1ccc(cc1)SCc2ccc(Br)o2 Amb24632037 [1,0,0,0,1,0|1,1,0]=4 69 B16R2.137 Cc1cc(CSc2ccc(F)cc2)o[n]1 Amb21170414 [1,0,0,0,1,0|2,0,0]=4 70 B16R2.137 Cc1ccc(cc1)SCc2ccc(Br)o2 Amb25370450 [1,0,0,0,1,0|2,0,0]=4 71 B16R2.137 Fc1ccc(cc1)SCc2ccc(Br)[s]2 Amb24352604 [1,0,0,0,1,0|1,1,0]=4 72 B16R2.137 Fc1ccc(cc1)SCc2coc(Br)c2 Amb24569891 [1,0,0,0,1,0|2,0,0]=4 73 B16R2.137 Oc1c[s]c(CSc2ccc(F)cc2)[n]1 Amb24701056 [1,0,0,0,1,0|1,1,0]=4 74 B16R2.131 Fc1ccc(cc1)Cc2cccc(c2)N Amb17139840 [1,0,0,0,1,0|2,0,0]=4 75 B16R2.2864 Cc1cc(ccc1O)-c2ccc(F)cc2 Amb21856716 [0,0,0,0,2,0|2,0,0]=4 76 B16R2.2864 Fc1ccc(cc1)c2ccc(c(c2)Cl)O Amb17137469 [0,0,0,0,2,0|2,0,0]=4 77 B18R2.274 Nc1ccc(cc1)CSCc2ccc(cc2)F Amb17497823 [1,0,0,0,0,1|2,0,0]=4