0 B13R1.152 CC(C(=O)O)C(N)C1=CC=CC=C1 Z1272096620 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.152 CC(C)C(=O)C(N)C1=CC=CC=C1 Z1509442373 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.152 CC(C)C(N)C(=O)C1=CC=CC=C1 Z3303000834 [0,0,0,0,0,0|2,0,2]=4 3 B13R1.152 CC(C)C(O)C(N)C1=CC=CC=C1 Z385458472 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.152 CC(C)N(C)C(=O)C1=CC=CC=C1 Z280750456 [0,0,0,0,0,0|2,0,2]=4 5 B13R1.152 CC(N)C(N)C(O)C1=CC=CC=C1 Z2724405896 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.152 CN(C)C(=O)C(N)C1=CC=CC=C1 Z600428418 [0,0,0,0,0,0|2,0,1]=3 7 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 Z1649893051 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.34 CCC(N)C(C)C1=CC=CC=C1 Z1318372590 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.34 CCC(N)C(O)C1=CC=CC=C1 Z1695783907 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 Z594038166 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.34 CNC(=O)C(O)C1=CC=CC=C1 Z1203869997 [1,0,0,0,0,0|1,0,1]=3 12 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 Z19752945 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.43 CC(C)C(C)NC1=CC=CC=C1 Z334878086 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.43 CC(N)C(C)OC1=CC=CC=C1 Z803066446 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.43 CC(N)C(O)CC1=CC=CC=C1 Z1483956878 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 Z55293723 [1,0,0,0,0,0|2,0,1]=4 19 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.107 C=C(C)CC(N)C1=CC=CC=C1 Z4497189696 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 Z104484314 [1,0,0,0,0,0|1,0,2]=4 22 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 Z85929891 [1,0,0,0,0,0|2,0,0]=3 23 B12R1.107 CC(C)CC(N)C1=NC=CC=C1 Z513795936 [1,0,0,0,0,0|3,0,0]=4 24 B12R1.107 CC(C)CC(O)C1=NC=CC=C1 Z513749474 [1,0,0,0,0,0|2,0,0]=3 25 B12R1.107 CC(N)CC(O)C1=CC=CC=C1 Z1262623600 [1,0,0,0,0,0|2,0,0]=3 26 B12R1.107 CN(C)CC(N)C1=CN=CC=C1 Z5022208875 [1,0,0,0,0,0|2,0,0]=3 27 B12R1.107 CS(=O)CC(N)C1=CC=CC=C1 Z1238793494 [1,0,0,0,0,0|3,0,0]=4 28 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [1,0,0,0,0,0|3,0,0]=4 29 B14R1.85 CC(C(O)C1=CC=CC=C1)N(C)C=O Z2719291639 [0,1,0,0,0,0|0,0,1]=2 30 B14R1.85 CCN(C)C(C)C(O)C1=CC=CC=C1 Z854201840 [0,1,0,0,0,0|0,0,0]=1 31 B14R1.85 COC(=O)C(C)C(N)C1=CC=CC=C1 Z1324054896 [0,1,0,0,0,0|3,0,0]=4 32 B14R1.132 CC(C)C(N)C(O)C1=CC=C(C=C1)Cl Z2583545468 [0,1,0,0,0,0|2,0,0]=3 33 B14R1.1027 CN(C)C(=O)C(CN)C1=CC=CC=C1 Z1562155991 [0,1,0,0,0,0|2,0,1]=4 34 B14R1.1027 CN(C)C(=O)C(CO)C1=CC=CC=C1 Z1896377058 [0,1,0,0,0,0|1,0,1]=3 35 B14R1.1027 COC(C(=O)N(C)C)C1=CC=CC=C1 Z434621834 [0,1,0,0,0,0|1,0,1]=3 36 B14R2.57380 CC1N(C2=C(C1(C)C)C=CC=C2)C Z104472832 [0,0,0,1,0,0|3,0,0]=4 37 B14R1.415 CN(C)C(=O)CC(N)C1=CC=CC=C1 Z317076168 [0,0,0,0,0,1|2,0,1]=4 38 B14R1.417 CC(C)OC(=O)C(O)C1=CC=CC=C1 Z54683128 [0,0,0,0,0,1|2,0,1]=4 39 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 Z993740056 [0,0,0,0,0,1|0,0,2]=3 40 B14R1.425 CC(OC1=CC=CC=C1)C(=O)N(C)C Z32014962 [0,0,0,0,0,1|2,0,1]=4 41 B14R1.425 CC(SC1=CC=CC=C1)C(=O)N(C)C Z32013723 [0,0,0,0,0,1|2,0,1]=4 42 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [2,0,0,0,0,0|1,0,1]=4 43 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [2,0,0,0,0,0|1,0,0]=3 45 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.36 CC(C)C(N)C1=CC=NC=C1 Z513796098 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.36 CC(C)C(N)C1=NC=CC=C1 Z513795924 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.36 CC(C)C(O)C1=NC=CC=C1 Z513749462 [2,0,0,0,0,0|1,0,0]=3 53 B11R1.36 CC(N)C(C)C1=CC=CC=C1 Z1203578901 [2,0,0,0,0,0|1,0,0]=3 54 B11R1.36 CC(N)C(O)C1=CC=NC=C1 Z1263602353 [2,0,0,0,0,0|1,0,0]=3 55 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [2,0,0,0,0,0|1,0,0]=3 58 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.91 CC(C)CNC1=CC=CC=C1 Z2092369729 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [2,0,0,0,0,0|0,0,0]=2 65 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [2,0,0,0,0,0|2,0,0]=4 66 B13R1.21 CCC(C)C(N)C1=CC=C(C=C1)Cl Z291232760 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.21 CNC(C)C(C)C1=CC=C(C=C1)Cl Z1262590480 [1,1,0,0,0,0|1,0,0]=3 68 B13R1.696 CCC(N)C(O)C1=C(C=CC=C1)F Z1297758289 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.133 CC(C)C(N)CC1=CC=C(C=C1)Cl Z513796444 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.133 CC(C)C(N)CC1=CC=C(C=C1)F Z513796714 [1,1,0,0,0,0|2,0,0]=4 71 B13R1.133 CC(C)C(O)CC1=CC=C(C=C1)F Z513750262 [1,1,0,0,0,0|2,0,0]=4 72 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)Br Z32014854 [1,1,0,0,0,0|1,0,1]=4 73 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)Cl Z32014573 [1,1,0,0,0,0|1,0,1]=4 74 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)F Z32014651 [1,1,0,0,0,0|1,0,1]=4 75 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)N Z270758276 [1,1,0,0,0,0|1,0,1]=4 76 B13R1.148 CN(C)C(=O)CC1=CC(=CC=C1)F Z32015055 [1,1,0,0,0,0|1,0,1]=4 77 B13R1.148 CN(C)C(=O)CC1=CC(=CC=C1)I Z1419216880 [1,1,0,0,0,0|1,0,1]=4 78 B13R1.148 CN(C)C(=O)CC1=CC(=CC=C1)N Z992264372 [1,1,0,0,0,0|1,0,1]=4 79 B13R1.202 CC(C)C(O)CC1=C(C=CC=C1)Br Z513750644 [1,1,0,0,0,0|2,0,0]=4 80 B13R1.202 CC1=C(C=CC=C1)CC(=O)N(C)C Z71501042 [1,1,0,0,0,0|1,0,1]=4 81 B13R1.202 CN(C)C(=O)CC1=C(C=CC=C1)Cl Z32015067 [1,1,0,0,0,0|1,0,1]=4 82 B13R1.202 CN(C)C(=O)CC1=C(C=CC=C1)F Z32014699 [1,1,0,0,0,0|1,0,1]=4 83 B13R1.202 CN(C)C(=O)CC1=C(C=CC=C1)N Z270758274 [1,1,0,0,0,0|1,0,1]=4 84 B13R1.353 CC(C)(C)C(N)CC1=CC=CC=C1 Z1268152326 [1,1,0,0,0,0|2,0,0]=4 85 B13R1.353 CC(C)(C)C(O)CC1=CC=CC=C1 Z513751754 [1,1,0,0,0,0|2,0,0]=4 86 B13R1.418 CC(C)C(CN)CC1=CC=CC=C1 Z1809367550 [1,1,0,0,0,0|1,0,0]=3 87 B13R1.418 CC(C)C(CN)NC1=CC=CC=C1 Z238918440 [1,1,0,0,0,0|2,0,0]=4 88 B13R1.1073 CC(C)C(C)(N)CC1=CC=CC=C1 Z2690366626 [1,1,0,0,0,0|1,0,0]=3 89 B13R1.132 CC(C)CC(N)C1=CC=C(C=C1)Cl Z291232734 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.132 CC(N)CC(O)C1=CC=C(C=C1)F Z1424669539 [1,1,0,0,0,0|2,0,0]=4 91 B13R1.132 CN(C)CC(N)C1=CC=C(C=C1)Cl Z1198218742 [1,1,0,0,0,0|1,0,0]=3 92 B13R1.147 CC1=CC=CC(=C1)C(N)CN(C)C Z802853060 [1,1,0,0,0,0|1,0,0]=3 93 B13R1.201 CC1=C(C=CC=C1)C(N)CC(C)C Z3069282331 [1,1,0,0,0,0|2,0,0]=4 94 B13R1.201 CC1=C(C=CC=C1)C(N)CN(C)C Z3069265734 [1,1,0,0,0,0|1,0,0]=3 95 B13R1.352 CC(C)(C)CC(N)C1=CC=CC=C1 Z291232396 [1,1,0,0,0,0|2,0,0]=4 96 B13R1.352 CS(=O)(=O)CC(O)C1=CC=CC=C1 Z822382694 [1,1,0,0,0,0|2,0,0]=4 97 B13R1.713 CC(C)CC(C=O)C1=CC=CC=C1 Z1268606424 [1,1,0,0,0,0|1,0,1]=4 98 B13R1.713 CC(C)OC(CO)C1=CC=CC=C1 Z1896186657 [1,1,0,0,0,0|2,0,0]=4 99 B13R1.713 CN(C)CC(CN)C1=CC=CC=C1 Z431512726 [1,1,0,0,0,0|1,0,0]=3 100 B15R1.880 CC(C)NC(C)C(O)C1=CC=C(C=C1)Br Z1597859610 [0,1,0,0,0,1|1,0,0]=3 101 B15R1.1357 CN(C)CC(C#N)C(O)C1=CC=CC=C1 Z362622850 [0,1,0,0,0,1|0,0,1]=3 102 B15R1.910 C[C@@H](C(=O)NC1=CC=C(C=C1)F)N(C)C Z1348342930 [0,1,0,0,0,1|0,0,2]=4 103 B13R2.15 CC1NCCC1C2=CC=CC=C2 Z979418782 [1,0,0,1,0,0|1,0,0]=3 104 B13R2.15 N[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z2690083974 [1,0,0,1,0,0|2,0,0]=4 105 B13R2.32 CC1CCC2=C(C1N)C=CC=C2 Z1539988085 [1,0,0,1,0,0|2,0,0]=4 106 B13R2.32 CC1COC2=C(C1O)C=CC=C2 Z1255453699 [1,0,0,1,0,0|2,0,0]=4 107 B13R2.45 CN[C@@H]1CC2=C([C@@H]1O)C=CC=C2 Z4657916171 [1,0,0,1,0,0|0,0,0]=2 108 B13R2.45 CO[C@@H]1CC2=C([C@H]1N)C=CC=C2 Z4661669768 [1,0,0,1,0,0|2,0,0]=4 109 B13R2.382 CC1CC1C(N)C2=CC=CC=C2 Z1695797918 [1,0,0,1,0,0|2,0,0]=4 110 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 Z3244520377 [1,0,0,1,0,0|2,0,0]=4 111 B13R2.197 C[C@@H]1C[C@@]1(N)CC2=CC=CC=C2 Z3487486148 [1,0,0,1,0,0|2,0,0]=4 112 B13R2.359 CC1(C2=C(C=CC=C2)CC1N)C Z5181794095 [1,0,0,1,0,0|2,0,0]=4 113 B13R2.359 CC1NC2=C(C1(C)C)C=CC=C2 Z1262562152 [1,0,0,1,0,0|2,0,0]=4 114 B13R2.444 NC(CC1=CC=CC=C1)C2CC2 Z1695784318 [1,0,0,1,0,0|2,0,0]=4 115 B13R2.10 NC1COC(C1)C2=CC=CC=C2 Z4657508784 [1,0,0,1,0,0|2,0,0]=4 116 B13R2.238 CC1CC(C1)(N)C2=CC=CC=C2 Z4631703126 [1,0,0,1,0,0|2,0,0]=4 117 B13R2.328 CN1CC(=O)C2=C(C1)C=CC=C2 Z2651712699 [1,0,0,1,0,0|0,0,2]=4 118 B13R2.690 NC(CC1CC1)C2=CC=CC=C2 Z826524146 [1,0,0,1,0,0|2,0,0]=4 119 B13R2.690 OC(CC1CO1)C2=CC=CC=C2 Z1400655261 [1,0,0,1,0,0|2,0,0]=4 120 B15R2.389 CC1COC(C(N1)C)C2=CC=CC=C2 Z405745068 [0,0,0,1,0,1|1,0,0]=3 121 B15R2.389 C[C@@H]1NC(=O)CO[C@H]1C2=CC=CC=C2 Z2309992038 [0,0,0,1,0,1|2,0,0]=4 122 B15R2.7221 CC1=NOC(C1C)(O)C2=CC=CC=C2 Z2932618891 [0,1,0,1,0,0|2,0,0]=4 123 B15R2.627 CN(C)C1CCC2=C(C1N)C=CC=C2 Z353133962 [0,1,0,1,0,0|1,0,0]=3 124 B11R1.77 CN(C)CC(O)C1=CC=CS1 Z227830874 [1,0,0,0,1,0|1,0,0]=3 125 B13R1.348 CC(C)CC(N)CC1=CC=CC=C1 Z3214214500 [1,0,0,0,0,1|2,0,0]=4 126 B13R1.348 CN(C)CC(N)CC1=CC=CC=C1 Z335289212 [1,0,0,0,0,1|1,0,0]=3 127 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 Z906195336 [1,0,0,0,0,1|2,0,0]=4 128 B13R1.351 CC(C)C(O)CCC1=CC=CC=C1 Z513750674 [1,0,0,0,0,1|2,0,0]=4 129 B13R1.351 CC(C)C(O)CSC1=CC=CC=C1 Z1258791042 [1,0,0,0,0,1|2,0,0]=4 130 B13R1.351 CC(O)C(C)OCC1=CC=CC=C1 Z854223056 [1,0,0,0,0,1|2,0,0]=4 131 B13R1.351 CN(C)C(=O)COC1=CC=CC=C1 Z19735310 [1,0,0,0,0,1|1,0,1]=4 132 B13R1.351 CN(C)C(=O)CSC1=CC=CC=C1 Z19750621 [1,0,0,0,0,1|1,0,1]=4 133 B13R1.351 CN(C)C(=O)OCC1=CC=CC=C1 Z32014975 [1,0,0,0,0,1|1,0,1]=4 134 B13R1.351 CN(C)C(=S)NCC1=CC=CC=C1 Z45810672 [1,0,0,0,0,1|1,0,1]=4 135 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 Z255306774 [1,0,0,0,0,1|2,0,0]=4 136 B13R1.45 CC(C)CNC(C)C1=CC=CC=C1 Z4926664046 [1,0,0,0,0,1|2,0,0]=4 137 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 Z56755624 [1,0,0,0,0,1|0,0,2]=4 138 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 Z56755627 [1,0,0,0,0,1|0,0,0]=2