0 B9R1.35 CC1CNC(C(=O)O)C1 MC100332 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.35 CN1CCC(C(=O)O)C1 CS18297 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CN1CCC(C(=O)O)C1 MC103798 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CN1CCC(C(=O)O)C1 MC104573 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CN1CCC(C(=O)O)C1 MC444131 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 NC(=O)C1CC(F)CN1 MC114665 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 NC1CCC(C(=O)O)C1 CS14934 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 NC1CCC(C(=O)O)C1 CS16161 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 NC1CCC(C(=O)O)C1 CS17903 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 NC1CCC(C(=O)O)C1 MC105619 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 O=C(O)C1CC(Br)=NO1 MC103251 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.35 O=C(O)C1CC(F)CN1 MC104337 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.35 O=C(O)C1CC(F)CN1 MC113882 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.35 O=C(O)C1CC(F)CN1 MC437016 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.35 O=C(O)C1CC(F)CN1 MC437017 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.35 O=C(O)C1CC(F)CN1 MC444013 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.35 O=C(O)C1CC(O)CN1 CS12039 [0,0,0,0,0,0|0,0,0]=0 17 B9R1.35 O=C(O)C1CC(O)CN1 CS18304 [0,0,0,0,0,0|0,0,0]=0 18 B9R1.35 O=C(O)C1CC(O)CN1 CS19994 [0,0,0,0,0,0|0,0,0]=0 19 B9R1.35 O=C(O)C1CC(O)CN1 CS22793 [0,0,0,0,0,0|0,0,0]=0 20 B9R1.35 O=C(O)C1CC(O)CN1 MC31144 [0,0,0,0,0,0|0,0,0]=0 21 B9R1.35 O=C(O)C1CC(O)CN1 MC437781 [0,0,0,0,0,0|0,0,0]=0 22 B9R1.35 O=C(O)C1CC(O)CN1 MC437782 [0,0,0,0,0,0|0,0,0]=0 23 B9R1.35 O=C(O)C1CC(S)CN1 MC112474 [0,0,0,0,0,0|0,1,0]=1 24 B9R1.35 O=C1CCC(C(=O)O)C1 CS19439 [0,0,0,0,0,0|1,0,2]=3 25 B9R1.35 O=C1CCC(C(=O)O)C1 MC105133 [0,0,0,0,0,0|1,0,2]=3 26 B9R1.35 O=C1CCC(C(=O)O)C1 MC105627 [0,0,0,0,0,0|1,0,2]=3 27 B9R1.35 O=C1CCC(C(=O)O)N1 CS22212 [0,0,0,0,0,0|2,0,2]=4 28 B9R1.35 O=C1CCC(C(=O)O)N1 MC438135 [0,0,0,0,0,0|2,0,2]=4 29 B9R1.35 O=C1CCC(C(=O)O)S1 MC103888 [0,0,0,0,0,0|2,0,2]=4 30 B8R1.1 OCC1CC(O)CN1 CS20184 [1,0,0,0,0,0|0,0,1]=2 31 B8R1.7 CC(=O)C1CCCC1 CS20673 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.7 CC(=O)C1CCCC1 MC445790 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 NC(=O)C1C=CCN1 MC436936 [1,0,0,0,0,0|1,0,2]=4 34 B8R1.7 NC(=O)C1CCCN1 CS22629 [1,0,0,0,0,0|1,0,0]=2 35 B8R1.7 NC(=O)C1CCCN1 MC438122 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.7 NC(=O)C1CCCN1 MC438123 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.7 NC(=O)C1CCCN1 MC438124 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.7 NC(=O)C1CCCN1 MC438125 [1,0,0,0,0,0|1,0,0]=2 39 B8R1.7 O=C(O)C1C=CCN1 MC436934 [1,0,0,0,0,0|0,0,2]=3 40 B8R1.7 O=C(O)C1C=CCN1 MC436935 [1,0,0,0,0,0|0,0,2]=3 41 B8R1.7 O=C(O)C1CCCN1 CS18287 [1,0,0,0,0,0|0,0,0]=1 42 B8R1.7 O=C(O)C1CCCN1 CS18742 [1,0,0,0,0,0|0,0,0]=1 43 B8R1.7 O=C(O)C1CCCN1 CS22249 [1,0,0,0,0,0|0,0,0]=1 44 B8R1.7 O=C(O)C1CCCO1 CS16192 [1,0,0,0,0,0|1,0,0]=2 45 B8R1.7 O=C(O)C1CCCO1 CS18232 [1,0,0,0,0,0|1,0,0]=2 46 B8R1.7 O=C(O)C1CCCO1 MC20393 [1,0,0,0,0,0|1,0,0]=2 47 B8R1.7 O=C(O)C1CCNC1 CS18444 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.7 O=C(O)C1CCNC1 CS19637 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.7 O=C(O)C1CCOC1 CS19475 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.7 O=C(O)C1CCOC1 MC444586 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.7 O=C(O)C1CSCN1 CS15627 [1,0,0,0,0,0|1,0,0]=2 52 B8R1.7 O=C(O)C1CSCN1 MC20446 [1,0,0,0,0,0|1,0,0]=2 53 B8R1.7 O=C(O)C1NCCS1 CS16514 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.7 O=C([O-])C1CSCN1 MC436714 [1,0,0,0,0,0|1,0,1]=3 55 B10R1.14 COC(=O)C1CC(F)CN1 MC100237 [0,1,0,0,0,0|1,0,0]=2 56 B10R1.14 COC(=O)C1CC(O)CN1 CS11437 [0,1,0,0,0,0|0,0,0]=1 57 B10R1.14 COC(=O)C1CC(O)CN1 CS13094 [0,1,0,0,0,0|0,0,0]=1 58 B10R1.14 COC(=O)C1CC(O)CN1 CS18459 [0,1,0,0,0,0|0,0,0]=1 59 B10R1.14 COC(=O)C1CCC(=O)C1 MC104918 [0,1,0,0,0,0|1,0,2]=4 60 B10R1.14 COC(=O)C1CCC(=O)C1 MC105581 [0,1,0,0,0,0|1,0,2]=4 61 B10R1.14 COC(=O)C1CCC(N)C1 CS17586 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.14 COC(=O)C1CCC(N)C1 MC105577 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.14 COC(=O)C1CCC(N)C1 MC105578 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.14 COC(=O)C1CCC(N)C1 MC105579 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.14 COC(=O)C1CCC(N)C1 MC105580 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.59 CN1CC(O)CC1C(=O)O MC107204 [0,1,0,0,0,0|0,0,0]=1 67 B10R1.59 CN1CC(O)CC1C(=O)O MC437912 [0,1,0,0,0,0|0,0,0]=1 68 B10R1.359 CC1(C)CNC(C(=O)O)C1 MC110824 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.359 NC(=O)C1CC(F)(F)CN1 MC100709 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.359 NC(=O)C1CC(F)(F)CN1 MC107462 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.359 NC(=O)C1CC(F)(F)CN1 MC107463 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.359 NC(=O)C1CC(F)(F)CN1 MC107464 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.359 O=C(O)C1CC(F)(F)CN1 CS15698 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.359 O=C(O)C1CCC(F)(F)C1 MC104920 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.359 O=C(O)C1CCC(F)(F)C1 MC105583 [0,1,0,0,0,0|2,0,0]=3 76 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,0,1,0,0,0|3,0,0]=4 77 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,0,1,0,0,0|3,0,0]=4 78 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,0,1,0,0,0|3,0,0]=4 79 B8R0.8 NCCCC(N)C(=O)O CS22279 [0,0,1,0,0,0|3,0,0]=4 80 B8R0.8 NCCCC(N)C(=O)O MC438045 [0,0,1,0,0,0|3,0,0]=4 81 B8R0.8 NCCCC(N)C(=O)O MC439200 [0,0,1,0,0,0|3,0,0]=4 82 B8R0.9 NCC(=O)CCC(=O)O CS10222 [0,0,1,0,0,0|0,0,2]=3 83 B8R0.9 NCC(=O)CCC(=O)O MC34214 [0,0,1,0,0,0|0,0,2]=3 84 B8R0.15 CCCC(NC)C(=O)O MC435490 [0,0,1,0,0,0|1,0,0]=2 85 B8R0.15 CCCC(NC)C(=O)O MC437925 [0,0,1,0,0,0|1,0,0]=2 86 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,0,1,0,0,0|1,0,1]=3 87 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,0,1,0,0,0|2,0,0]=3 88 B8R0.23 CC(C)CC(N)B(O)O MC442652 [0,0,1,0,0,0|2,0,1]=4 89 B8R0.23 CC(C)CC(N)B(O)O MC442682 [0,0,1,0,0,0|2,0,1]=4 90 B8R0.23 CC(C)CC(N)B(O)O MC442688 [0,0,1,0,0,0|2,0,1]=4 91 B8R0.23 CC(C)CC(N)B(O)O MC442689 [0,0,1,0,0,0|2,0,1]=4 92 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,0,1,0,0,0|1,0,0]=2 93 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,0,1,0,0,0|1,0,0]=2 94 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,0,1,0,0,0|1,0,0]=2 95 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,0,1,0,0,0|2,0,0]=3 96 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,0,1,0,0,0|2,0,0]=3 97 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,0,1,0,0,0|2,0,0]=3 98 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,0,1,0,0,0|2,0,0]=3 99 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,0,1,0,0,0|2,0,0]=3 100 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,0,1,0,0,0|2,0,0]=3 101 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,0,1,0,0,0|2,0,0]=3 102 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,0,1,0,0,0|2,0,0]=3 103 B8R0.23 NC(=O)C(N)CC(=O)O MC436247 [0,0,1,0,0,0|2,0,1]=4 104 B8R0.23 NC(=O)C(N)CC(=O)O MC436248 [0,0,1,0,0,0|2,0,1]=4 105 B8R0.23 NC(=O)CC(N)C(=O)O CS19152 [0,0,1,0,0,0|1,0,2]=4 106 B8R0.23 NC(=O)CC(N)C(=O)O MC436231 [0,0,1,0,0,0|1,0,2]=4 107 B8R0.23 NC(CC(=O)O)C(=O)O CS18065 [0,0,1,0,0,0|1,0,1]=3 108 B8R0.23 NC(CC(=O)O)C(=O)O MC436244 [0,0,1,0,0,0|1,0,1]=3 109 B8R0.23 O=C(O)CC(O)C(=O)O CS11286 [0,0,1,0,0,0|2,0,1]=4 110 B8R0.23 O=C(O)CC(O)C(=O)O MC20429 [0,0,1,0,0,0|2,0,1]=4 111 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,0,1,0,0,0|3,0,0]=4 112 B8R0.28 O=C(O)CCCC(=O)O MC20876 [0,0,1,0,0,0|2,0,1]=4 113 B8R0.28 O=C(O)COCC(O)=S MC445127 [0,0,1,0,0,0|2,0,1]=4 114 B10R2.348 O=C(O)C12CC(CN1)C2 MC105067 [0,0,0,1,0,0|1,0,0]=2 115 B10R2.355 O=C(O)C1NCC2CC21 MC100068 [0,0,0,1,0,0|1,0,0]=2 116 B10R2.355 O=C(O)C1NCC2CC21 MC100069 [0,0,0,1,0,0|1,0,0]=2 117 B10R2.355 O=C(O)C1NCC2CC21 MC103380 [0,0,0,1,0,0|1,0,0]=2 118 B10R2.355 O=C(O)C1NCC2CC21 MC103381 [0,0,0,1,0,0|1,0,0]=2 119 B10R2.355 O=C(O)C1NCC2CC21 MC105643 [0,0,0,1,0,0|1,0,0]=2 120 B10R2.355 O=C(O)C1NCC2CC21 MC105644 [0,0,0,1,0,0|1,0,0]=2 121 B10R2.357 NC(=O)C1CC2CC2N1 CS17814 [0,0,0,1,0,0|2,0,0]=3 122 B10R2.357 NC(=O)C1CC2CC2N1 MC107659 [0,0,0,1,0,0|2,0,0]=3 123 B10R2.357 O=C(O)C1CC2CC2C1 MC103539 [0,0,0,1,0,0|2,0,0]=3 124 B10R2.357 O=C(O)C1CC2CC2N1 MC103441 [0,0,0,1,0,0|1,0,0]=2 125 B10R2.357 O=C(O)C1CC2CC2N1 MC105463 [0,0,0,1,0,0|1,0,0]=2 126 B8R1.23 C=C1CC(C(=O)O)C1 MC444295 [0,0,0,0,1,0|1,0,1]=3 127 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,0,0,0,1,0|1,0,0]=2 128 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,0,0,0,1,0|1,0,0]=2 129 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,0,0,0,1,0|1,0,0]=2 130 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,0,0,0,1,0|2,0,0]=3 131 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,0,0,0,1,0|1,0,0]=2 132 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,0,0,0,1,0|1,0,0]=2 133 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,0,0,0,1,0|1,0,0]=2 134 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,0,0,0,1,0|1,0,0]=2 135 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,0,0,0,1,0|1,0,0]=2 136 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,0,0,0,1,0|1,0,0]=2 137 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,0,0,0,1,0|1,0,0]=2 138 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,0,0,0,1,0|0,0,0]=1 139 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,0,0,0,1,0|0,0,0]=1 140 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,0,0,0,1,0|0,0,0]=1 141 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [0,0,0,0,1,0|0,0,2]=3 142 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,0,0,0,1,0|0,0,2]=3 143 B8R1.31 NC1CCC1C(=O)O MC104253 [0,0,0,0,1,0|2,0,0]=3 144 B8R1.31 NC1CCC1C(=O)O MC104335 [0,0,0,0,1,0|2,0,0]=3 145 B8R1.31 NC1CCC1C(=O)O MC104421 [0,0,0,0,1,0|2,0,0]=3 146 B8R1.31 NC1CCC1C(=O)O MC105420 [0,0,0,0,1,0|2,0,0]=3 147 B10R1.13 CC1CCC(C(N)=O)CN1 MC425228 [0,0,0,0,0,1|3,0,0]=4 148 B10R1.13 NC1CCC(C(=O)O)CC1 CS12037 [0,0,0,0,0,1|2,0,0]=3 149 B10R1.13 NC1CCC(C(=O)O)CC1 CS14216 [0,0,0,0,0,1|2,0,0]=3 150 B10R1.13 NC1CCC(C(=O)O)CC1 CS14217 [0,0,0,0,0,1|2,0,0]=3 151 B10R1.13 O=C(O)C1CCC(O)CC1 MC428316 [0,0,0,0,0,1|1,0,0]=2 152 B10R1.13 O=C(O)C1CCC(O)CN1 MC102531 [0,0,0,0,0,1|0,0,0]=1 153 B10R1.13 O=C(O)C1CCC(O)CN1 MC103741 [0,0,0,0,0,1|0,0,0]=1 154 B10R1.13 O=C(O)C1CCC(O)CN1 MC105262 [0,0,0,0,0,1|0,0,0]=1 155 B10R1.13 O=C1CCC(C(=O)O)CC1 MC425116 [0,0,0,0,0,1|1,0,2]=4 156 B10R1.13 O=C1CCC(C(=O)O)CN1 MC444434 [0,0,0,0,0,1|1,0,2]=4 157 B10R1.13 O=C1CNC(C(=O)O)CN1 CS17718 [0,0,0,0,0,1|0,0,2]=3 158 B10R1.113 CC1CCNC(C(=O)O)C1 CS13084 [0,0,0,0,0,1|1,0,0]=2 159 B10R1.113 NC1CCCC(C(=O)O)C1 CS14264 [0,0,0,0,0,1|2,0,0]=3 160 B10R1.113 NC1CCCC(C(=O)O)C1 CS17221 [0,0,0,0,0,1|2,0,0]=3 161 B10R1.113 NC1CCCC(C(=O)O)C1 CS17237 [0,0,0,0,0,1|2,0,0]=3 162 B10R1.113 NC1CCCC(C(=O)O)C1 CS19619 [0,0,0,0,0,1|2,0,0]=3 163 B10R1.113 NC1CCCC(C(=O)O)C1 MC105219 [0,0,0,0,0,1|2,0,0]=3 164 B10R1.113 O=C(O)C1CC(O)CCN1 MC445804 [0,0,0,0,0,1|0,0,0]=1 165 B10R1.113 O=C1CCNC(C(=O)O)C1 MC113049 [0,0,0,0,0,1|0,0,2]=3 166 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445805 [0,0,0,0,0,1|0,0,2]=3 167 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445809 [0,0,0,0,0,1|0,0,2]=3 168 B7R0.3 C=CCCC(O)CCl MC114485 [1,0,1,0,0,0|2,0,0]=4 169 B7R0.3 CCC(O)CCCO MC116029 [1,0,1,0,0,0|1,0,1]=4 170 B7R0.4 C#CCCCC(=O)O CS14686 [1,0,1,0,0,0|1,0,1]=4 171 B7R0.4 C=CCNCC(=O)O MC439317 [1,0,1,0,0,0|0,0,2]=4 172 B7R0.4 CC(=O)CCCCBr CS10627 [1,0,1,0,0,0|2,0,0]=4 173 B7R0.4 CC(O)CCCCO MC112436 [1,0,1,0,0,0|1,0,1]=4 174 B7R0.4 CCCOCC(=O)O MC425744 [1,0,1,0,0,0|1,0,0]=3 175 B7R0.4 NCCCCC(=O)O MC428108 [1,0,1,0,0,0|0,0,0]=2 176 B7R0.4 NCCNCC(=O)O MC436179 [1,0,1,0,0,0|1,0,0]=3 177 B7R0.4 O=C(O)CCCCBr MC41866 [1,0,1,0,0,0|1,0,0]=3 178 B7R0.5 C#CCC(N)C(=O)O CS13900 [1,0,1,0,0,0|0,0,2]=4 179 B7R0.5 C#CCC(N)C(=O)O MC21037 [1,0,1,0,0,0|0,0,2]=4 180 B7R0.5 C#CCC(N)C(=O)O MC438112 [1,0,1,0,0,0|0,0,2]=4 181 B7R0.5 C=CCC(N)C(=O)O MC439179 [1,0,1,0,0,0|0,0,2]=4 182 B7R0.5 CCCC(N)C(=O)O CS10518 [1,0,1,0,0,0|0,0,0]=2 183 B7R0.5 CCCC(N)C(=O)O CS17028 [1,0,1,0,0,0|0,0,0]=2 184 B7R0.5 CCCC(N)C(=O)O MC439125 [1,0,1,0,0,0|0,0,0]=2 185 B7R0.5 CCCC(N)C(N)=O MC438024 [1,0,1,0,0,0|1,0,0]=3 186 B7R0.5 COCC(N)C(=O)O CS12183 [1,0,1,0,0,0|1,0,0]=3 187 B7R0.5 COCC(N)C(=O)O CS16755 [1,0,1,0,0,0|1,0,0]=3 188 B7R0.5 COCC(N)C(=O)O CS20335 [1,0,1,0,0,0|1,0,0]=3 189 B7R0.5 CSCC(N)C(=O)O MC439293 [1,0,1,0,0,0|1,0,0]=3 190 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [1,0,1,0,0,0|1,0,0]=3 191 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [1,0,1,0,0,0|1,0,0]=3 192 B7R0.5 N#CCC(N)C(=O)O MC436869 [1,0,1,0,0,0|1,0,1]=4 193 B7R0.5 NC(CCO)C(=O)O CS13886 [1,0,1,0,0,0|0,0,0]=2 194 B7R0.5 NC(CCO)C(=O)O CS16701 [1,0,1,0,0,0|0,0,0]=2 195 B7R0.5 NC(CCO)C(=O)O CS22620 [1,0,1,0,0,0|0,0,0]=2 196 B7R0.5 NCCC(N)C(=O)O CS13874 [1,0,1,0,0,0|1,0,0]=3 197 B7R0.5 NCCC(N)C(=O)O CS15080 [1,0,1,0,0,0|1,0,0]=3 198 B7R0.5 NCCC(N)C(=O)O MC436921 [1,0,1,0,0,0|1,0,0]=3 199 B7R0.5 NCCC(N)C(=O)O MC439091 [1,0,1,0,0,0|1,0,0]=3 200 B7R0.5 NCCC(N)C(=O)O MC439321 [1,0,1,0,0,0|1,0,0]=3 201 B7R0.5 NCCC(O)C(=O)O CS15496 [1,0,1,0,0,0|2,0,0]=4 202 B7R0.5 NCCC(O)C(=O)O CS21759 [1,0,1,0,0,0|2,0,0]=4 203 B7R0.6 C=C(C)CCC(=O)O CS16527 [1,0,1,0,0,0|1,0,1]=4 204 B7R0.6 CC(=O)CCC(=O)O CS18688 [1,0,1,0,0,0|0,0,2]=4 205 B7R0.6 CC(C)CCC(=O)Cl MC20895 [1,0,1,0,0,0|2,0,0]=4 206 B7R0.6 CC(N)CCC(=O)O MC435302 [1,0,1,0,0,0|1,0,0]=3 207 B7R0.6 CN(C)CCC(=O)O CS12169 [1,0,1,0,0,0|2,0,0]=4 208 B7R0.15 CCC(CC)C(=O)[O-] MC21097 [1,0,1,0,0,0|1,0,1]=4 209 B7R0.15 CCC(CC)C(C)=O MC425625 [1,0,1,0,0,0|2,0,0]=4 210 B7R0.15 CCC(CN)C(=O)O MC105840 [1,0,1,0,0,0|2,0,0]=4 211 B7R0.15 CCC(CN)C(=O)O MC105841 [1,0,1,0,0,0|2,0,0]=4 212 B7R0.15 CNC(CO)C(=O)O MC435500 [1,0,1,0,0,0|0,0,0]=2 213 B7R0.15 CNC(CO)C(=O)O MC437945 [1,0,1,0,0,0|0,0,0]=2 214 B7R0.2 CC(C)CC(N)CO CS14853 [1,0,1,0,0,0|1,0,1]=4 215 B7R0.2 CC(C)CC(N)CO CS19307 [1,0,1,0,0,0|1,0,1]=4 216 B7R1.1 BrCC1CCCN1 MC114648 [2,0,0,0,0,0|1,0,1]=4 217 B7R1.1 CCC1CCCN1 MC110951 [2,0,0,0,0,0|1,0,1]=4 218 B7R1.1 COC1CCCN1 MC41692 [2,0,0,0,0,0|2,0,0]=4 219 B7R1.1 FCC1CCCN1 MC100102 [2,0,0,0,0,0|1,0,1]=4 220 B7R1.1 N#CC1CCCN1 MC104069 [2,0,0,0,0,0|1,0,1]=4 221 B7R1.1 NCC1CCCN1 CS15469 [2,0,0,0,0,0|1,0,1]=4 222 B7R1.1 NCC1CCCN1 CS15745 [2,0,0,0,0,0|1,0,1]=4 223 B7R1.1 O=CC1=CCCC1 CS12865 [2,0,0,0,0,0|1,0,1]=4 224 B7R1.1 O=CC1CCCC1 MC21048 [2,0,0,0,0,0|1,0,0]=3 225 B7R1.1 OCC1CCCC1 CS11185 [2,0,0,0,0,0|1,0,1]=4 226 B7R1.1 OCC1CCCN1 CS17003 [2,0,0,0,0,0|0,0,1]=3 227 B7R1.1 OCC1CCCN1 CS22640 [2,0,0,0,0,0|0,0,1]=3 228 B7R1.1 OCC1CCCO1 MC20392 [2,0,0,0,0,0|1,0,1]=4 229 B7R1.2 NC1CCC(O)C1 CS12946 [2,0,0,0,0,0|2,0,0]=4 230 B7R1.2 NC1CCC(O)C1 CS14798 [2,0,0,0,0,0|2,0,0]=4 231 B7R1.2 NC1CCC(O)C1 CS15869 [2,0,0,0,0,0|2,0,0]=4 232 B7R1.2 NC1CCC(O)C1 CS16172 [2,0,0,0,0,0|2,0,0]=4 233 B7R1.2 NC1CNC(=O)C1 MC103473 [2,0,0,0,0,0|1,0,1]=4 234 B7R1.2 O=C1CC(O)CN1 CS14706 [2,0,0,0,0,0|0,0,1]=3 235 B7R1.2 O=C1CC(O)CN1 CS16472 [2,0,0,0,0,0|0,0,1]=3 236 B9R0.13 CCCCC(NC)C(=O)O MC435132 [0,1,1,0,0,0|2,0,0]=4 237 B9R0.13 CCCCC(NC)C(=O)O MC435489 [0,1,1,0,0,0|2,0,0]=4 238 B9R0.13 CNC(CCCN)C(=O)O MC435491 [0,1,1,0,0,0|2,0,0]=4 239 B9R0.13 CNC(CCCN)C(=O)O MC435492 [0,1,1,0,0,0|2,0,0]=4 240 B9R0.23 CCC(C)C(N)CC(=O)O MC439106 [0,1,1,0,0,0|2,0,0]=4 241 B9R0.48 CCCC(C)CCC(=O)O MC112366 [0,1,1,0,0,0|2,0,0]=4 242 B9R0.29 CCC(C)C(NC)C(=O)O MC435477 [0,1,1,0,0,0|1,0,0]=3 243 B9R0.29 CCC(C)C(NC)C(=O)O MC437913 [0,1,1,0,0,0|1,0,0]=3 244 B9R0.39 CNC(CC(=O)O)C(=O)O MC437899 [0,1,1,0,0,0|0,0,1]=3 245 B9R0.39 CNC(CC(=O)O)C(=O)O MC437900 [0,1,1,0,0,0|0,0,1]=3 246 B9R0.39 CNC(CC(=O)O)C(=O)O MC446678 [0,1,1,0,0,0|0,0,1]=3 247 B9R0.39 CNC(CC(C)C)C(=O)O MC435478 [0,1,1,0,0,0|1,0,0]=3 248 B9R0.39 CNC(CC(C)C)C(=O)O MC437917 [0,1,1,0,0,0|1,0,0]=3 249 B9R0.39 CNC(CC(C)C)C(=O)O MC437920 [0,1,1,0,0,0|1,0,0]=3 250 B9R0.39 CNC(CC(N)=O)C(=O)O MC435534 [0,1,1,0,0,0|0,0,2]=4 251 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437916 [0,1,1,0,0,0|1,0,0]=3 252 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437918 [0,1,1,0,0,0|1,0,0]=3 253 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437919 [0,1,1,0,0,0|1,0,0]=3 254 B9R0.57 CC(C)(C)CC(N)C(=O)O MC100406 [0,1,1,0,0,0|1,0,0]=3 255 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436788 [0,1,1,0,0,0|1,0,0]=3 256 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436789 [0,1,1,0,0,0|1,0,0]=3 257 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MC428071 [0,1,1,0,0,0|2,0,0]=4 258 B9R0.79 CC(C(=O)O)C(N)C(=O)O MC20536 [0,1,1,0,0,0|1,0,1]=4 259 B9R0.79 CC(C)C(O)C(N)C(=O)O MC116178 [0,1,1,0,0,0|1,0,0]=3 260 B9R0.53 CC(C)CC(C)CC(=O)O MC112321 [0,1,1,0,0,0|2,0,0]=4 261 B9R0.53 CC(C)CC(N)CC(=O)O CS19014 [0,1,1,0,0,0|2,0,0]=4 262 B9R0.53 CC(C)CC(N)CC(=O)O MC439109 [0,1,1,0,0,0|2,0,0]=4 263 B9R1.21 N#CC1CCC(C=O)C1 MC431094 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.133 OCC1CC(F)(F)CN1 MC105014 [1,1,0,0,0,0|1,0,1]=4 265 B9R1.11 COC(=O)C1=CCCC1 CS18911 [1,1,0,0,0,0|1,0,1]=4 266 B9R1.11 COC(=O)C1C=CCN1 MC436937 [1,1,0,0,0,0|0,0,2]=4 267 B9R1.11 COC(=O)C1CCCN1 CS11440 [1,1,0,0,0,0|0,0,0]=2 268 B9R1.11 COC(=O)C1CCCN1 CS18447 [1,1,0,0,0,0|0,0,0]=2 269 B9R1.11 COC(=O)C1CCCN1 MC438131 [1,1,0,0,0,0|0,0,0]=2 270 B9R1.11 COC(=O)C1CCNC1 MC103933 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.41 CN1CCCC1C(=O)O CS11794 [1,1,0,0,0,0|0,0,0]=2 272 B9R1.41 CN1CCCC1C(=O)O MC437939 [1,1,0,0,0,0|0,0,0]=2 273 B9R1.41 O=C(Cl)C1CCCC1=O MC106033 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.41 O=C(O)C1CCNC1=O MC105243 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.41 O=C(O)C1NCCC1O MC105345 [1,1,0,0,0,0|0,0,0]=2 276 B9R1.41 O=C(O)C1NCCC1O MC105346 [1,1,0,0,0,0|0,0,0]=2 277 B9R1.41 O=C(O)C1NCCC1O MC105412 [1,1,0,0,0,0|0,0,0]=2 278 B9R1.163 CC1(C(=O)O)CCCN1 MC10549 [1,1,0,0,0,0|0,0,0]=2 279 B9R1.163 CC1(C(=O)O)CCCN1 MC437940 [1,1,0,0,0,0|0,0,0]=2 280 B9R1.163 CC1(C(=O)O)CCOC1 MC103813 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.163 NC(=O)C1(N)CCCC1 CS18509 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.163 NC1(C(=O)O)CCCC1 CS18420 [1,1,0,0,0,0|1,0,0]=3 283 B9R1.163 NC1(C(=O)O)CCOC1 MC20730 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.163 O=C(O)C1(F)CCCC1 MC443736 [1,1,0,0,0,0|1,0,0]=3 285 B9R1.163 O=C(O)C1(F)CCNC1 MC104696 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.163 O=C(O)C1(O)CCCC1 CS20733 [1,1,0,0,0,0|1,0,0]=3 287 B9R1.82 COC(=O)C1CC(=O)C1 CS13104 [0,1,0,0,1,0|0,0,2]=4 288 B9R1.82 COC(=O)C1CC(Br)C1 MC103784 [0,1,0,0,1,0|1,0,0]=3 289 B9R1.82 COC(=O)C1CC(Br)C1 MC103785 [0,1,0,0,1,0|1,0,0]=3 290 B9R1.82 COC(=O)C1CC(Cl)C1 MC444530 [0,1,0,0,1,0|1,0,0]=3 291 B9R1.82 COC(=O)C1CC(N)C1 CS15952 [0,1,0,0,1,0|1,0,0]=3 292 B9R1.82 COC(=O)C1CC(N)C1 MC103928 [0,1,0,0,1,0|1,0,0]=3 293 B9R1.82 COC(=O)C1CC(N)C1 MC103997 [0,1,0,0,1,0|1,0,0]=3 294 B9R1.82 COC(=O)C1CC(N)C1 MC444564 [0,1,0,0,1,0|1,0,0]=3 295 B9R1.82 COC(=O)C1CC(O)C1 MC444276 [0,1,0,0,1,0|0,0,0]=2 296 B9R1.82 COC(=O)C1CC(O)C1 MC444557 [0,1,0,0,1,0|0,0,0]=2 297 B9R1.82 COC(=O)C1CC(O)C1 MC444565 [0,1,0,0,1,0|0,0,0]=2 298 B9R1.95 CC(=O)N1CC(CO)C1 MC111767 [0,1,0,0,1,0|2,0,0]=4 299 B9R1.95 COC1CC(C(=O)O)C1 MC102156 [0,1,0,0,1,0|0,0,0]=2 300 B9R1.95 COC1CC(C(=O)O)C1 MC103811 [0,1,0,0,1,0|0,0,0]=2 301 B9R1.95 NCC1CC(C(=O)O)C1 MC105165 [0,1,0,0,1,0|1,0,0]=3 302 B9R1.95 O=C(O)C1CC(CO)C1 MC103733 [0,1,0,0,1,0|0,0,0]=2 303 B9R1.152 C=C1CC(C)(C(=O)O)C1 MC105172 [0,1,0,0,1,0|1,0,1]=4 304 B9R1.152 CC1(C(=O)O)CC(N)C1 MC103378 [0,1,0,0,1,0|1,0,0]=3 305 B9R1.152 CC1(C(=O)O)CC(N)C1 MC104860 [0,1,0,0,1,0|1,0,0]=3 306 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104153 [0,1,0,0,1,0|1,0,0]=3 307 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104155 [0,1,0,0,1,0|1,0,0]=3 308 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104156 [0,1,0,0,1,0|1,0,0]=3 309 B9R1.152 NC1(C(=O)O)CC(O)C1 MC110551 [0,1,0,0,1,0|0,0,0]=2 310 B9R1.164 CC1(C)CC(C(=O)O)C1 MC444205 [0,1,0,0,1,0|1,0,0]=3 311 B9R1.164 CC1(F)CC(C(=O)O)C1 MC111625 [0,1,0,0,1,0|1,0,0]=3 312 B9R1.164 CC1(F)CC(C(=O)O)C1 MC116400 [0,1,0,0,1,0|1,0,0]=3 313 B9R1.164 CC1(O)CC(C(=O)O)C1 CS16009 [0,1,0,0,1,0|0,0,0]=2 314 B9R1.164 CC1(O)CC(C(=O)O)C1 MC103746 [0,1,0,0,1,0|0,0,0]=2 315 B9R1.164 O=C(O)C1CC(F)(F)C1 CS21901 [0,1,0,0,1,0|1,0,0]=3 316 B9R1.164 O=C(O)C1CS(=O)(=O)C1 MC425158 [0,1,0,0,1,0|1,0,1]=4 317 B9R1.81 COC(=O)C1CCC1N MC103768 [0,1,0,0,1,0|2,0,0]=4 318 B11R1.22 CNC(=O)C1CCC(O)CC1 MC112050 [0,1,0,0,0,1|2,0,0]=4 319 B11R1.22 COC(=O)C1CCC(C)NC1 MC100320 [0,1,0,0,0,1|2,0,0]=4 320 B11R1.22 COC(=O)C1CCC(C)NC1 MC100321 [0,1,0,0,0,1|2,0,0]=4 321 B11R1.22 COC(=O)C1CCC(C)NC1 MC116241 [0,1,0,0,0,1|2,0,0]=4 322 B11R1.22 COC(=O)C1CCC(N)CC1 CS14495 [0,1,0,0,0,1|2,0,0]=4 323 B11R1.22 COC(=O)C1CCC(O)CC1 CS11647 [0,1,0,0,0,1|1,0,0]=3 324 B11R1.22 COC(=O)C1CCC(O)CN1 MC104798 [0,1,0,0,0,1|0,0,0]=2 325 B11R1.727 O=C(O)C1CCC(F)(F)CC1 CS13561 [0,1,0,0,0,1|2,0,0]=4 326 B11R1.727 O=C(O)C1CCC(F)(F)CN1 MC103632 [0,1,0,0,0,1|1,0,0]=3 327 B11R1.645 O=C(O)CN1CC(O)CC1=O MC106631 [0,1,0,0,0,1|2,0,0]=4 328 B11R1.23 COC(=O)C1CC(=O)CCN1 MC102440 [0,1,0,0,0,1|0,0,2]=4 329 B11R1.23 COC(=O)C1CC(=O)CCN1 MC445806 [0,1,0,0,0,1|0,0,2]=4 330 B11R1.23 COC(=O)C1CC(=O)CCN1 MC445807 [0,1,0,0,0,1|0,0,2]=4 331 B11R1.23 COC(=O)C1CC(O)CCN1 MC100399 [0,1,0,0,0,1|0,0,0]=2 332 B11R1.23 COC(=O)C1CC(O)CCN1 MC445802 [0,1,0,0,0,1|0,0,0]=2 333 B11R1.23 COC(=O)C1CC(O)CCN1 MC445803 [0,1,0,0,0,1|0,0,0]=2 334 B11R1.23 COC(=O)C1CCNC(C)C1 MC102121 [0,1,0,0,0,1|2,0,0]=4 335 B11R1.23 COC(=O)C1CNCC(C)C1 MC102805 [0,1,0,0,0,1|1,0,0]=3 336 B11R1.23 COC(=O)C1CNCC(O)C1 MC111725 [0,1,0,0,0,1|0,0,0]=2 337 B11R1.266 COC1CCNC(C(=O)O)C1 MC431423 [0,1,0,0,0,1|0,0,0]=2 338 B11R1.266 COC1CCNC(C(=O)O)C1 MC431424 [0,1,0,0,0,1|0,0,0]=2 339 B11R1.866 COC(=O)C1CC(F)(F)CN1 MC103816 [0,2,0,0,0,0|1,0,0]=3 340 B11R1.866 COC(=O)C1CCC(F)(F)C1 MC104919 [0,2,0,0,0,0|2,0,0]=4 341 B11R1.866 COC(=O)C1CCC(F)(F)C1 MC105582 [0,2,0,0,0,0|2,0,0]=4 342 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 MC429806 [0,2,0,0,0,0|1,0,0]=3 343 B11R1.738 CC1(C(=O)O)CC(F)(F)CN1 MC105505 [0,2,0,0,0,0|1,0,0]=3 344 B9R1.6 NC(=O)C1CCCCN1 MC425161 [0,0,1,1,0,0|2,0,0]=4 345 B9R1.6 O=C(O)C1CCCCC1 CS16426 [0,0,1,1,0,0|2,0,0]=4 346 B9R1.6 O=C(O)C1CCCCN1 CS13937 [0,0,1,1,0,0|1,0,0]=3 347 B9R1.6 O=C(O)C1CCCCN1 CS18416 [0,0,1,1,0,0|1,0,0]=3 348 B9R1.6 O=C(O)C1CCCCN1 CS18418 [0,0,1,1,0,0|1,0,0]=3 349 B9R1.6 O=C(O)C1CCCCN1 CS18433 [0,0,1,1,0,0|1,0,0]=3 350 B9R1.6 O=C(O)C1CCCNC1 CS12538 [0,0,1,1,0,0|2,0,0]=4 351 B9R1.6 O=C(O)C1CCCNC1 CS22802 [0,0,1,1,0,0|2,0,0]=4 352 B9R1.6 O=C(O)C1CCCNC1 CS22806 [0,0,1,1,0,0|2,0,0]=4 353 B9R1.6 O=C(O)C1CCCOC1 CS18526 [0,0,1,1,0,0|1,0,0]=3 354 B9R1.6 O=C(O)C1CCCSC1 MC113062 [0,0,1,1,0,0|1,1,0]=4 355 B9R1.6 O=C(O)C1CNCCN1 CS16953 [0,0,1,1,0,0|1,0,0]=3 356 B9R1.6 O=C(O)C1CNCCN1 CS17152 [0,0,1,1,0,0|1,0,0]=3 357 B9R1.6 O=C(O)C1CNCCN1 CS22631 [0,0,1,1,0,0|1,0,0]=3 358 B9R1.6 O=C(O)C1CNCCN1 CS22824 [0,0,1,1,0,0|1,0,0]=3 359 B9R1.6 O=C(O)C1CNCCO1 CS21703 [0,0,1,1,0,0|2,0,0]=4 360 B9R1.6 O=C(O)C1CNCCO1 MC444042 [0,0,1,1,0,0|2,0,0]=4 361 B9R1.6 O=C(O)C1CNCCO1 MC444064 [0,0,1,1,0,0|2,0,0]=4 362 B9R1.6 O=C(O)C1COCCN1 CS16814 [0,0,1,1,0,0|0,0,0]=2 363 B9R1.6 O=C(O)C1COCCN1 CS17811 [0,0,1,1,0,0|0,0,0]=2 364 B9R1.6 O=C(O)C1CSCCN1 CS19640 [0,0,1,1,0,0|0,1,0]=3 365 B9R1.112 CC(NC1CC1)C(=O)O MC436876 [0,0,1,1,0,0|1,0,0]=3 366 B9R1.1 NCC1CCC(=O)NC1 MC101985 [0,0,1,1,0,0|2,0,0]=4 367 B9R1.130 CCC1(C(=O)O)CC1F MC102837 [0,0,1,1,0,0|2,0,0]=4 368 B9R1.130 CCC1(C(=O)O)CC1F MC102838 [0,0,1,1,0,0|2,0,0]=4 369 B9R1.53 NC1CC(CC(=O)O)C1 MC103479 [0,0,1,1,0,0|2,0,0]=4 370 B9R1.53 NC1CC(CC(=O)O)C1 MC103480 [0,0,1,1,0,0|2,0,0]=4 371 B9R1.53 NC1CC(CC(=O)O)C1 MC103481 [0,0,1,1,0,0|2,0,0]=4 372 B9R2.39 OC1CC2CCC1N2 MC105311 [1,0,0,1,0,0|1,0,1]=4 373 B9R2.39 OC1CC2CCC1N2 MC105312 [1,0,0,1,0,0|1,0,1]=4 374 B9R2.39 OC1CC2CNC1C2 MC104241 [1,0,0,1,0,0|1,0,1]=4 375 B9R2.39 OC1CC2CNC1C2 MC104242 [1,0,0,1,0,0|1,0,1]=4 376 B9R2.70 OCC1NCC2CC21 MC115689 [1,0,0,1,0,0|1,0,1]=4 377 B9R2.19 O=C1NCC2CC1N2 MC105469 [0,0,0,1,1,0|2,0,0]=4 378 B11R2.68 O=C1OC2CC1CCC2I MC418473 [0,0,0,1,0,1|2,0,0]=4 379 B11R2.845 O=C(O)C1CC2CCC1C2 MC443337 [0,0,0,1,0,1|2,0,0]=4 380 B11R2.845 O=C(O)C1NC2CCC1C2 MC105636 [0,0,0,1,0,1|2,0,0]=4 381 B11R2.845 O=C(O)C1NC2CCC1C2 MC105637 [0,0,0,1,0,1|2,0,0]=4 382 B11R2.1826 O=C(O)C12CC(CCN1)C2 MC105089 [0,0,0,1,0,1|1,0,0]=3 383 B11R2.1826 O=C(O)C12CC(CCN1)C2 MC105095 [0,0,0,1,0,1|1,0,0]=3 384 B11R2.738 O=C1NC2CC1C(O)C2O MC106925 [0,1,0,1,0,0|2,0,0]=4 385 B11R2.901 COC(=O)C12CC(CN1)C2 MC105066 [0,1,0,1,0,0|1,0,0]=3 386 B11R2.2454 O=C(O)C12CC(F)(CN1)C2 MC115021 [0,1,0,1,0,0|1,0,0]=3 387 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,0,1,0,1,0|2,0,0]=4 388 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,0,1,0,1,0|2,0,0]=4 389 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,0,1,0,1,0|2,0,0]=4 390 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,0,1,0,1,0|1,0,0]=3 391 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,0,1,0,1,0|1,0,0]=3 392 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,0,1,0,1,0|1,0,0]=3 393 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,0,1,0,1,0|2,0,0]=4 394 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,0,1,0,1,0|2,0,0]=4 395 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,0,1,0,1,0|2,0,0]=4 396 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,0,1,0,1,0|2,0,0]=4 397 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,0,1,0,1,0|2,0,0]=4 398 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,0,1,0,1,0|0,0,0]=2 399 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,0,1,0,1,0|0,0,0]=2 400 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,0,1,0,1,0|0,0,0]=2 401 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,0,1,0,1,0|0,0,0]=2 402 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,0,1,0,1,0|0,0,0]=2 403 B7R0.16 CC(O)C(N)C(N)=O MC438202 [0,0,1,0,1,0|1,0,0]=3 404 B7R1.10 CNC1CC(O)C1 MC104910 [1,0,0,0,1,0|2,0,0]=4 405 B7R1.10 CNC1CC(O)C1 MC444221 [1,0,0,0,1,0|2,0,0]=4 406 B7R1.10 NC1CC(CO)C1 MC101938 [1,0,0,0,1,0|1,0,1]=4 407 B7R1.10 NC1CC(CO)C1 MC101939 [1,0,0,0,1,0|1,0,1]=4 408 B7R1.10 NC1CC(CO)C1 MC103939 [1,0,0,0,1,0|1,0,1]=4 409 B7R1.10 NC1CC(CO)C1 MC104003 [1,0,0,0,1,0|1,0,1]=4 410 B7R1.10 NC1CC(CO)C1 MC104004 [1,0,0,0,1,0|1,0,1]=4 411 B7R1.10 NC1CC(CO)C1 MC112994 [1,0,0,0,1,0|1,0,1]=4 412 B7R1.10 NCC1CC(O)C1 MC101920 [1,0,0,0,1,0|1,0,1]=4 413 B7R1.10 NCC1CC(O)C1 MC101929 [1,0,0,0,1,0|1,0,1]=4 414 B7R1.10 NCC1CC(O)C1 MC103940 [1,0,0,0,1,0|1,0,1]=4 415 B7R1.10 NCC1CC(O)C1 MC113027 [1,0,0,0,1,0|1,0,1]=4 416 B7R1.10 NCC1CC(O)C1 MC115656 [1,0,0,0,1,0|1,0,1]=4 417 B7R1.18 CC(O)C1CCC1 CS20672 [1,0,0,0,1,0|1,0,1]=4 418 B7R1.18 NC(=O)C1CNC1 MC10515 [1,0,0,0,1,0|2,0,0]=4 419 B7R1.18 NC(=O)C1CNC1 MC10516 [1,0,0,0,1,0|2,0,0]=4 420 B7R1.18 O=C(O)C1CCC1 CS22786 [1,0,0,0,1,0|0,0,0]=2 421 B7R1.18 O=C(O)C1CCN1 CS16493 [1,0,0,0,1,0|0,0,0]=2 422 B7R1.18 O=C(O)C1CCN1 CS16972 [1,0,0,0,1,0|0,0,0]=2 423 B7R1.18 O=C(O)C1CCN1 CS18844 [1,0,0,0,1,0|0,0,0]=2 424 B7R1.18 O=C(O)C1CCN1 MC436280 [1,0,0,0,1,0|0,0,0]=2 425 B7R1.18 O=C(O)C1CCO1 MC115721 [1,0,0,0,1,0|1,0,0]=3 426 B7R1.18 O=C(O)C1CNC1 CS16485 [1,0,0,0,1,0|1,0,0]=3 427 B7R1.18 O=C(O)C1COC1 CS22389 [1,0,0,0,1,0|1,0,0]=3 428 B7R1.18 O=C(O)C1CSC1 MC100118 [1,0,0,0,1,0|1,0,0]=3 429 B7R1.18 OB(O)C1CCC1 CS12533 [1,0,0,0,1,0|1,0,1]=4 430 B7R1.12 CC1CC1C(=O)O MC100841 [0,0,0,0,2,0|1,0,0]=3 431 B7R1.12 CC1CC1C(=O)O MC103281 [0,0,0,0,2,0|1,0,0]=3 432 B7R1.12 CC1CC1C(N)=O MC425328 [0,0,0,0,2,0|2,0,0]=4 433 B7R1.12 NC(=O)C1CC1F MC102846 [0,0,0,0,2,0|2,0,0]=4 434 B7R1.12 O=C(O)C1CC1Br MC430635 [0,0,0,0,2,0|1,0,0]=3 435 B7R1.12 O=C(O)C1CC1F MC21162 [0,0,0,0,2,0|1,0,0]=3 436 B7R1.12 O=C(O)C1CC1F MC425300 [0,0,0,0,2,0|1,0,0]=3 437 B7R1.12 O=C(O)C1CC1F MC425301 [0,0,0,0,2,0|1,0,0]=3 438 B7R1.12 O=C(O)C1CC1F MC425302 [0,0,0,0,2,0|1,0,0]=3 439 B7R1.12 O=C(O)C1CC1F MC425316 [0,0,0,0,2,0|1,0,0]=3 440 B7R1.12 O=C(O)C1CC1I MC102749 [0,0,0,0,2,0|1,0,0]=3 441 B7R1.12 O=C(O)C1CC1I MC425298 [0,0,0,0,2,0|1,0,0]=3 442 B9R1.13 O=C(Cl)OC1CCCC1 CS11187 [1,0,0,0,0,1|2,0,0]=4 443 B9R1.13 O=C(O)CC1CCCC1 MC112805 [1,0,0,0,0,1|1,0,0]=3 444 B9R1.13 O=C(O)CC1CCCN1 MC106679 [1,0,0,0,0,1|0,0,0]=2 445 B9R1.13 O=C(O)CC1CCNC1 MC104574 [1,0,0,0,0,1|2,0,0]=4 446 B9R1.13 O=C(O)CC1CCNC1 MC105475 [1,0,0,0,0,1|2,0,0]=4 447 B9R1.13 O=C(O)CC1CCOC1 CS20367 [1,0,0,0,0,1|2,0,0]=4 448 B11R1.157 O=C(O)CN1CCCC(O)C1 MC106217 [0,0,0,0,0,2|2,0,0]=4 449 B11R1.157 O=C(O)CN1CCCC(O)C1 MC106218 [0,0,0,0,0,2|2,0,0]=4