0 B17R2.204604 CCOc1ccc2c(c1)C(C)=CC(C)(C)N2 Amb1058793 [0,0,0,0,0,0|0,0,0]=0 1 B17R2.204604 CCOc1ccc2c(c1)C(C)=CC(C)(C)N2 Amb22283518 [0,0,0,0,0,0|0,0,0]=0 2 B17R2.204604 CCOc1ccc2c(c1)C(C)CC(C)(C)N2 Amb1058789 [0,0,0,0,0,0|0,0,2]=2 3 B17R2.204604 CCOc1ccc2c(c1)C(N)CC(C)(C)O2 Amb5723949 [0,0,0,0,0,0|2,0,2]=4 4 B17R2.204604 CCOc1ccc2c(c1)C(O)CC(C)(C)O2 Amb5730683 [0,0,0,0,0,0|2,0,2]=4 5 B16R2.107862 CCOc1ccc2c(c1)C(=O)C=C(C)N2 Amb20250820 [1,0,0,0,0,0|1,0,1]=3 6 B16R2.107862 CCOc1ccc2c(c1)C(C)=CC(=S)N2 Amb18038019 [1,0,0,0,0,0|1,0,1]=3 7 B16R2.107862 CCOc1ccc2nc(Br)cc(C)c2c1 Amb19108226 [1,0,0,0,0,0|1,0,2]=4 8 B16R2.107862 CCOc1ccc2nc(C)cc(Br)c2c1 Amb9134368 [1,0,0,0,0,0|1,0,2]=4 9 B16R2.107862 CCOc1ccc2nc(C)cc(C)c2c1 Amb4010814 [1,0,0,0,0,0|0,0,2]=3 10 B16R2.107862 CCOc1ccc2nc(C)cc(Cl)c2c1 Amb1994630 [1,0,0,0,0,0|1,0,2]=4 11 B16R2.107862 CCOc1ccc2nc(C)cc(N)c2c1 Amb1994594 [1,0,0,0,0,0|1,0,2]=4 12 B16R2.107862 CCOc1ccc2nc(C)cc(O)c2c1 Amb2556506 [1,0,0,0,0,0|1,0,2]=4 13 B16R2.107862 CCOc1ccc2nc(C)cc(S)c2c1 Amb10577628 [1,0,0,0,0,0|1,0,2]=4 14 B16R2.107862 CCOc1ccc2nc(Cl)cc(C)c2c1 Amb17318984 [1,0,0,0,0,0|1,0,2]=4 15 B16R2.107862 CCOc1ccc2nc(N)cc(C)c2c1 Amb17595379 [1,0,0,0,0,0|1,0,2]=4 16 B16R2.107862 CCOc1ccc2nc(O)cc(C)c2c1 Amb23441863 [1,0,0,0,0,0|1,0,2]=4 17 B16R2.204026 CCc1ccc2c(c1)C(=O)NC(C)(C)C2 Amb17402706 [1,0,0,0,0,0|3,0,0]=4 18 B16R2.204026 CCc1ccc2c(c1)C(C)=CC(C)(C)N2 Amb6400438 [1,0,0,0,0,0|0,0,0]=1 19 B16R2.204026 CCc1ccc2c(c1)C(C)=CC(C)(C)N2 Amb6761764 [1,0,0,0,0,0|0,0,0]=1 20 B16R2.204026 CCc1ccc2c(c1)C(C)CC(C)(C)N2 Amb5717270 [1,0,0,0,0,0|0,0,2]=3 21 B16R2.204026 CCc1ccc2c(c1)N(C)CC(C)(C)O2 Amb31142920 [1,0,0,0,0,0|2,0,1]=4 22 B16R2.204026 COc1ccc2c(c1)C(=O)CC(C)(C)O2 Amb17601393 [1,0,0,0,0,0|2,0,1]=4 23 B16R2.204026 COc1ccc2c(c1)C(=O)NC(C)(C)C2 Amb17403016 [1,0,0,0,0,0|3,0,0]=4 24 B16R2.204026 COc1ccc2c(c1)C(C)=CC(C)(C)N2 Amb1092526 [1,0,0,0,0,0|0,0,0]=1 25 B16R2.204026 COc1ccc2c(c1)C(C)CC(C)(C)N2 Amb1058855 [1,0,0,0,0,0|0,0,2]=3 26 B16R2.204026 COc1ccc2c(c1)N(C)CC(C)(C)O2 Amb31143157 [1,0,0,0,0,0|2,0,1]=4 27 B18R2.1019949 CCOc1ccc2c(c1)C(=O)OC(C)(CN)C2 Amb32683679 [0,1,0,0,0,0|3,0,0]=4 28 B18R2.1019956 CCOc1ccc2c(c1)C(C)(N)CC(C)(C)O2 Amb17519313 [0,1,0,0,0,0|1,0,2]=4 29 B18R2.1271074 CC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2 Amb538927 [0,1,0,0,0,0|0,0,1]=2 30 B18R3.915034 CC1=CC(C)(C)Nc2cc3c(cc21)OCO3 Amb1859278 [0,0,0,1,0,0|1,0,0]=2 31 B18R3.915034 CC1=CC(C)(C)Nc2cc3c(cc21)OCO3 Amb6761228 [0,0,0,1,0,0|1,0,0]=2 32 B15R1.3514 CCOc1ccc(CC(C)(C)NC)cc1 Amb17403546 [1,0,1,0,0,0|2,0,0]=4 33 B15R1.3514 CCOc1ccc(NC(C)(C)C#N)cc1 Amb17402915 [1,0,1,0,0,0|1,0,1]=4 34 B15R1.5643 CCCC(C)Nc1ccc(OCC)cc1 Amb6688558 [1,0,1,0,0,0|0,0,2]=4 35 B15R1.9452 CCOc1cccc(CCC(C)(C)N)c1 Amb18568104 [1,0,1,0,0,0|0,0,2]=4 36 B15R1.9644 CCOc1ccc(CC(C)(C)N)c(C)c1 Amb33341949 [1,0,1,0,0,0|2,0,0]=4 37 B15R1.9644 CCOc1ccc(CC(C)(C)O)c(C)c1 Amb33142840 [1,0,1,0,0,0|2,0,0]=4 38 B15R1.1863 COc1ccc(N)c(C(=O)OC(C)C)c1 Amb19012716 [1,0,1,0,0,0|2,0,0]=4 39 B15R1.1863 COc1ccc(N)c(C(=O)OC(C)C)c1 Amb33071702 [1,0,1,0,0,0|2,0,0]=4 40 B15R1.9646 CCOC(=O)c1cc(OCC)ccc1N Amb22491708 [1,0,1,0,0,0|2,0,0]=4 41 B15R1.9648 CCOc1ccc(OCC)c(C(C)=O)c1 Amb2209259 [1,0,1,0,0,0|2,0,0]=4 42 B15R2.4779 CC1(C)C=Cc2cc(CCl)ccc2O1 Amb28240348 [2,0,0,0,0,0|2,0,0]=4 43 B15R2.4779 CC1(C)C=Cc2cc(CN)ccc2O1 Amb27173261 [2,0,0,0,0,0|2,0,0]=4 44 B15R2.4779 COc1ccc2c(c1)C=CC(C)(C)O2 Amb4090415 [2,0,0,0,0,0|1,0,0]=3 45 B15R2.4779 COc1ccc2c(c1)NCC(C)(C)N2 Amb27612610 [2,0,0,0,0,0|1,0,1]=4 46 B15R2.10252 CCOc1ccc2c(c1)C=CC(=O)N2 Amb18546024 [2,0,0,0,0,0|1,0,1]=4 47 B15R2.10252 CCOc1ccc2cc(C)ccc2c1 Amb26873310 [2,0,0,0,0,0|1,0,1]=4 48 B15R2.10252 CCOc1ccc2nc(C)ccc2c1 Amb4035127 [2,0,0,0,0,0|0,0,2]=4 49 B15R2.1290 CCOc1ccc2c(c1)C(=O)C=CN2 Amb19047360 [2,0,0,0,0,0|1,0,1]=4 50 B15R2.1290 CCOc1ccc2c(c1)C(=O)C=NN2 Amb23559988 [2,0,0,0,0,0|2,0,0]=4 51 B15R2.1290 CCOc1ccc2c(c1)C(=O)CCN2 Amb18818539 [2,0,0,0,0,0|1,0,1]=4 52 B15R2.1290 CCOc1ccc2c(c1)C(=S)C=CN2 Amb24111607 [2,0,0,0,0,0|1,0,1]=4 53 B15R2.1290 CCOc1ccc2c(c1)C(C)CCN2 Amb28249561 [2,0,0,0,0,0|0,0,2]=4 54 B15R2.1290 CCOc1ccc2nccc(C)c2c1 Amb18354497 [2,0,0,0,0,0|0,0,2]=4 55 B15R2.21329 CCc1ccc2c(c1)C(=O)C=C(C)N2 Amb19046472 [2,0,0,0,0,0|1,0,1]=4 56 B15R2.21329 CCc1ccc2c(c1)C(=O)CC(C)N2 Amb18560067 [2,0,0,0,0,0|1,0,1]=4 57 B15R2.21329 CCc1ccc2c(c1)C(C)=CC(=O)N2 Amb19516752 [2,0,0,0,0,0|1,0,1]=4 58 B15R2.21329 CCc1ccc2c(c1)C(C)=CC(=S)N2 Amb18540321 [2,0,0,0,0,0|1,0,1]=4 59 B15R2.21329 CCc1ccc2nc(C)cc(C)c2c1 Amb18353603 [2,0,0,0,0,0|0,0,2]=4 60 B15R2.21329 COc1ccc2c(c1)C(=O)C=C(C)N2 Amb19077647 [2,0,0,0,0,0|1,0,1]=4 61 B15R2.21329 COc1ccc2c(c1)C(=O)CC(C)N2 Amb18560066 [2,0,0,0,0,0|1,0,1]=4 62 B15R2.21329 COc1ccc2c(c1)C(=S)C=C(C)N2 Amb19846770 [2,0,0,0,0,0|1,0,1]=4 63 B15R2.21329 COc1ccc2c(c1)C(C)=CC(=O)N2 Amb19389140 [2,0,0,0,0,0|1,0,1]=4 64 B15R2.21329 COc1ccc2c(c1)C(C)=CC(=S)N2 Amb18038018 [2,0,0,0,0,0|1,0,1]=4 65 B15R2.21329 COc1ccc2nc(C)cc(C)c2c1 Amb18354504 [2,0,0,0,0,0|0,0,2]=4 66 B15R2.50278 CC1=CC(C)(C)Nc2ccc(Br)cc21 Amb22230056 [2,0,0,0,0,0|1,0,0]=3 67 B15R2.50278 CC1=CC(C)(C)Nc2ccc(C)cc21 Amb1148181 [2,0,0,0,0,0|0,0,0]=2 68 B15R2.50278 CC1=CC(C)(C)Nc2ccc(C)cc21 Amb4008064 [2,0,0,0,0,0|0,0,0]=2 69 B15R2.50278 CC1=CC(C)(C)Nc2ccc(Cl)cc21 Amb4006392 [2,0,0,0,0,0|1,0,0]=3 70 B15R2.50278 CC1=CC(C)(C)Nc2ccc(F)cc21 Amb23313367 [2,0,0,0,0,0|1,0,0]=3 71 B15R2.50278 CC1=CC(C)(C)Nc2ccc(N)cc21 Amb27851425 [2,0,0,0,0,0|1,0,0]=3 72 B15R2.50278 CC1=CC(C)(C)Nc2ccc(O)cc21 Amb591978 [2,0,0,0,0,0|0,0,0]=2 73 B15R2.50278 CC1=CC(C)(C)Oc2ccc(O)cc21 Amb27256572 [2,0,0,0,0,0|1,0,0]=3 74 B15R2.50278 CC1CC(C)(C)Nc2ccc(O)cc21 Amb10068046 [2,0,0,0,0,0|0,0,2]=4 75 B15R2.50278 CC1CC(C)(C)Nc2ccc(O)cc21 Amb1058792 [2,0,0,0,0,0|0,0,2]=4 76 B15R2.50278 Cc1ccc2c(c1)C(C)CC(C)(C)N2 Amb1058856 [2,0,0,0,0,0|0,0,2]=4 77 B17R1.26370 CC(=O)c1cc(OC(C)C)ccc1OC(C)C Amb18057616 [0,1,1,0,0,0|2,0,0]=4 78 B17R2.204607 CCOc1ccc2nc(CO)cc(C)c2c1 Amb19105000 [1,1,0,0,0,0|0,0,2]=4 79 B17R2.204608 CCOc1ccc2c(c1)C(CBr)=CC(=O)N2 Amb31133915 [1,1,0,0,0,0|1,0,1]=4 80 B17R2.204608 CCOc1ccc2c(c1)C(CN)=CC(=O)N2 Amb31180765 [1,1,0,0,0,0|1,0,1]=4 81 B17R2.204608 CCOc1ccc2nc(C)cc(CN)c2c1 Amb19103210 [1,1,0,0,0,0|0,0,2]=4 82 B17R2.204608 CCOc1ccc2nc(C)cc(OC)c2c1 Amb19108347 [1,1,0,0,0,0|0,0,2]=4 83 B17R2.333376 CCCOc1ccc2c(c1)C(C)=CC(=S)N2 Amb18038020 [1,1,0,0,0,0|1,0,1]=4 84 B17R2.333376 Cc1cc(C)c2cc(OCCN)ccc2n1 Amb18355026 [1,1,0,0,0,0|0,0,2]=4 85 B17R2.65489 CCc1ccc2c(c1)N(C)C(=O)C(C)(C)O2 Amb31188886 [1,1,0,0,0,0|2,0,0]=4 86 B17R2.65489 COc1ccc2c(c1)N(C)C(=O)C(C)(C)O2 Amb31124041 [1,1,0,0,0,0|2,0,0]=4 87 B17R2.398898 CCc1ccc2c(c1)C(C#N)=CC(C)(C)O2 Amb17241438 [1,1,0,0,0,0|1,0,1]=4 88 B17R2.398898 COc1ccc2c(c1)C(C#N)=CC(C)(C)O2 Amb17241949 [1,1,0,0,0,0|1,0,1]=4 89 B17R2.412227 CC1=CC(C)(C)N(C)c2ccc(C=O)cc21 Amb9785124 [1,1,0,0,0,0|1,0,1]=4 90 B17R2.412227 CC1=CC(C)(C)N(C)c2ccc(CO)cc21 Amb24116178 [1,1,0,0,0,0|1,0,0]=3 91 B17R2.915365 CC1=CC(C)(C)Nc2ccc(C(=O)O)cc21 Amb24116181 [1,1,0,0,0,0|1,0,1]=4 92 B19R2.6669396 CCOC(=O)c1ccc2c(c1)C(C)=CC(C)(C)N2 Amb23003192 [0,2,0,0,0,0|0,0,0]=2 93 B19R2.6669396 CCOC(=O)c1ccc2c(c1)C(C)CC(C)(C)N2 Amb29838137 [0,2,0,0,0,0|0,0,2]=4 94 B19R2.5788387 CC1=CC(C)(C)Nc2ccc(OS(C)(=O)=O)cc21 Amb6388257 [0,2,0,0,0,0|1,0,0]=3 95 B17R2.32753 CCOc1cccc2c1NC(C)(C)CC2C Amb24092286 [0,0,1,1,0,0|0,0,2]=4 96 B17R2.301400 CCOc1cccc(C2CNC(C)(C)O2)c1 Amb18068534 [0,0,1,1,0,0|1,0,1]=4 97 B17R2.35184 CCOc1ccc(N)c2c1C(C)(C)CC2C Amb32690792 [0,0,1,1,0,0|0,0,2]=4 98 B19R3.6795310 CN1C(=O)C(C)(C)Nc2cc3c(cc21)OCO3 Amb17470280 [0,1,0,1,0,0|2,0,0]=4 99 B15R1.9454 CCOc1cccc(C(=O)C(C)(C)N)c1 Amb18567914 [0,0,1,0,1,0|1,0,0]=3 100 B15R1.9454 CCOc1cccc(C(F)C(C)(C)N)c1 Amb32862887 [0,0,1,0,1,0|1,0,1]=4 101 B15R1.9454 CCOc1cccc(C(O)C(C)(C)N)c1 Amb17082110 [0,0,1,0,1,0|1,0,1]=4 102 B15R2.16644 CCOc1ccc2sc(C)c(C)c2c1 Amb27192776 [1,0,0,0,1,0|1,0,1]=4 103 B15R2.54398 CCOc1ccc2c(c1)c(C)cn2C Amb18893894 [1,0,0,0,1,0|1,0,0]=3 104 B15R2.4796 COc1ccc2c(c1)C(=O)C(C)(C)C2 Amb24510991 [1,0,0,0,1,0|2,0,0]=4 105 B15R2.4796 COc1ccc2c(c1)C(=O)C(C)(C)N2 Amb27759364 [1,0,0,0,1,0|1,0,0]=3 106 B15R2.4796 COc1ccc2c(c1)C(=O)C(C)(C)O2 Amb27236705 [1,0,0,0,1,0|2,0,0]=4 107 B15R2.4975 CCc1ccc2c(c1)C(=O)CC2(C)C Amb27747512 [1,0,0,0,1,0|1,0,1]=4 108 B15R2.4975 COc1ccc2c(c1)C(=O)CC2(C)C Amb23401709 [1,0,0,0,1,0|1,0,1]=4 109 B15R2.4975 COc1ccc2c(c1)C(=S)NC2(C)C Amb27879509 [1,0,0,0,1,0|2,0,0]=4 110 B17R2.227629 CCOc1cccc2c1C(C)CC(C)(C)N2 Amb24071280 [0,0,0,0,1,1|0,0,2]=4