0 B9R1.35 CC(C)C1COC(=O)N1 CS22803 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC1CNC(C(=O)O)C1 MC100332 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CN1CCC(C(=O)O)C1 CS18297 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CN1CCC(C(=O)O)C1 MC103798 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CN1CCC(C(=O)O)C1 MC104573 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CN1CCC(C(=O)O)C1 MC444131 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 NC1CCC(C(=O)O)C1 CS14934 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.35 NC1CCC(C(=O)O)C1 CS16161 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.35 NC1CCC(C(=O)O)C1 CS17903 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.35 NC1CCC(C(=O)O)C1 MC105619 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,0,0,0,0,0|1,0,3]=4 11 B9R1.35 O=C(O)C1CC(Br)=NO1 MC103251 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 O=C(O)C1CC(F)CN1 MC104337 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.35 O=C(O)C1CC(F)CN1 MC113882 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 O=C(O)C1CC(F)CN1 MC437016 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 O=C(O)C1CC(F)CN1 MC437017 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.35 O=C(O)C1CC(F)CN1 MC444013 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.35 O=C(O)C1CC(O)CN1 CS12039 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.35 O=C(O)C1CC(O)CN1 CS18304 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.35 O=C(O)C1CC(O)CN1 CS19994 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.35 O=C(O)C1CC(O)CN1 CS22793 [0,0,0,0,0,0|2,0,2]=4 21 B9R1.35 O=C(O)C1CC(O)CN1 MC31144 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.35 O=C(O)C1CC(O)CN1 MC437781 [0,0,0,0,0,0|2,0,2]=4 23 B9R1.35 O=C(O)C1CC(O)CN1 MC437782 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.35 O=C(O)C1CC(S)CN1 MC112474 [0,0,0,0,0,0|2,1,1]=4 25 B9R1.35 O=C1CCC(C(=O)O)C1 CS19439 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.35 O=C1CCC(C(=O)O)C1 MC105133 [0,0,0,0,0,0|1,0,0]=1 27 B9R1.35 O=C1CCC(C(=O)O)C1 MC105627 [0,0,0,0,0,0|1,0,0]=1 28 B9R1.35 O=C1CCC(C(=O)O)N1 CS22212 [0,0,0,0,0,0|0,0,0]=0 29 B9R1.35 O=C1CCC(C(=O)O)N1 MC438135 [0,0,0,0,0,0|0,0,0]=0 30 B9R1.35 O=C1CCC(C(=O)O)S1 MC103888 [0,0,0,0,0,0|1,0,0]=1 31 B9R1.35 O=C1NC(C(=O)O)CS1 MC438059 [0,0,0,0,0,0|1,0,0]=1 32 B8R1.1 NCC1COC(=O)N1 MC104254 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.1 O=C1CCC(CO)N1 CS13834 [1,0,0,0,0,0|0,0,1]=2 34 B8R1.1 O=C1CCC(CO)N1 CS15562 [1,0,0,0,0,0|0,0,1]=2 35 B8R1.1 O=C1NC(CO)CO1 MC427148 [1,0,0,0,0,0|1,0,1]=3 36 B8R1.7 CC(=O)C1CCCC1 CS20673 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.7 CC(=O)C1CCCC1 MC445790 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.7 NC(=O)C1C=CCN1 MC436936 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 NC(=O)C1CC=CC1 CS11184 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.7 NC(=O)C1CCCN1 CS22629 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.7 NC(=O)C1CCCN1 MC438122 [1,0,0,0,0,0|1,0,1]=3 42 B8R1.7 NC(=O)C1CCCN1 MC438123 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.7 NC(=O)C1CCCN1 MC438124 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.7 NC(=O)C1CCCN1 MC438125 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [1,0,0,0,0,0|0,0,3]=4 46 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [1,0,0,0,0,0|1,0,2]=4 47 B8R1.7 O=C(O)C1C=CCN1 MC436934 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.7 O=C(O)C1C=CCN1 MC436935 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.7 O=C(O)C1CCCN1 CS18287 [1,0,0,0,0,0|0,0,1]=2 50 B8R1.7 O=C(O)C1CCCN1 CS18742 [1,0,0,0,0,0|0,0,1]=2 51 B8R1.7 O=C(O)C1CCCN1 CS22249 [1,0,0,0,0,0|0,0,1]=2 52 B8R1.7 O=C(O)C1CCCO1 CS16192 [1,0,0,0,0,0|1,0,1]=3 53 B8R1.7 O=C(O)C1CCCO1 CS18232 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.7 O=C(O)C1CCCO1 MC20393 [1,0,0,0,0,0|1,0,1]=3 55 B8R1.7 O=C(O)C1CCNC1 CS18444 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.7 O=C(O)C1CCNC1 CS19637 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.7 O=C(O)C1CCOC1 CS19475 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.7 O=C(O)C1CCOC1 MC444586 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.7 O=C(O)C1CSCN1 CS15627 [1,0,0,0,0,0|1,0,1]=3 60 B8R1.7 O=C(O)C1CSCN1 MC20446 [1,0,0,0,0,0|1,0,1]=3 61 B8R1.7 O=C(O)C1NCCS1 CS16514 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.7 O=C([O-])C1CSCN1 MC436714 [1,0,0,0,0,0|1,0,2]=4 63 B10R1.14 COC(=O)C1CCC(=O)C1 MC104918 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.14 COC(=O)C1CCC(=O)C1 MC105581 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.14 COC(=O)C1CCC(=O)N1 CS14546 [0,1,0,0,0,0|0,0,0]=1 66 B10R1.14 COC(=O)C1CCC(=O)N1 CS15487 [0,1,0,0,0,0|0,0,0]=1 67 B10R1.14 COC(=O)C1CCC(N)C1 CS17586 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.14 COC(=O)C1CCC(N)C1 MC105577 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.14 COC(=O)C1CCC(N)C1 MC105578 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.14 COC(=O)C1CCC(N)C1 MC105579 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.14 COC(=O)C1CCC(N)C1 MC105580 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.14 COC(=O)C1CNC(=O)C1 CS12232 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.14 COC(=O)N1CCC(=O)C1 CS16708 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.194 CN1C(=O)CCC1C(=O)O MC443546 [0,1,0,0,0,0|0,0,0]=1 75 B10R1.359 O=C(O)C1CCC(F)(F)C1 MC104920 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.359 O=C(O)C1CCC(F)(F)C1 MC105583 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 CS19500 [0,1,0,0,0,0|1,0,0]=2 78 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,0,1,0,0,0|1,0,1]=3 79 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,0,1,0,0,0|1,0,1]=3 80 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,0,1,0,0,0|1,0,1]=3 81 B8R0.8 CCCCC(N)C(N)=O MC438017 [0,0,1,0,0,0|2,0,1]=4 82 B8R0.8 CSCCC(N)C(=O)O CS18644 [0,0,1,0,0,0|2,0,0]=3 83 B8R0.8 CSCCC(N)C(=O)O MC428038 [0,0,1,0,0,0|2,0,0]=3 84 B8R0.8 CSCCC(N)C(=O)O MC428332 [0,0,1,0,0,0|2,0,0]=3 85 B8R0.8 CSCCC(N)C(N)=O MC437951 [0,0,1,0,0,0|3,0,0]=4 86 B8R0.8 CSCCC(N)C(N)=O MC439009 [0,0,1,0,0,0|3,0,0]=4 87 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [0,0,1,0,0,0|2,0,0]=3 88 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [0,0,1,0,0,0|2,0,0]=3 89 B8R0.8 NCCCC(N)C(=O)O CS22279 [0,0,1,0,0,0|1,0,1]=3 90 B8R0.8 NCCCC(N)C(=O)O MC438045 [0,0,1,0,0,0|1,0,1]=3 91 B8R0.8 NCCCC(N)C(=O)O MC439200 [0,0,1,0,0,0|1,0,1]=3 92 B8R0.8 NOCCC(N)C(=O)O MC100566 [0,0,1,0,0,0|2,0,0]=3 93 B8R0.8 NOCCC(N)C(=O)O MC114097 [0,0,1,0,0,0|2,0,0]=3 94 B8R0.9 COC(=O)CCC(=O)O CS11694 [0,0,1,0,0,0|2,0,0]=3 95 B8R0.9 NCC(=O)CCC(=O)O CS10222 [0,0,1,0,0,0|2,0,0]=3 96 B8R0.9 NCC(=O)CCC(=O)O MC34214 [0,0,1,0,0,0|2,0,0]=3 97 B8R0.9 O=C(O)CNC(=O)CCl MC436845 [0,0,1,0,0,0|1,0,0]=2 98 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,0,1,0,0,0|3,0,0]=4 99 B8R0.23 CC(=O)NC(C)C(=O)O MC436012 [0,0,1,0,0,0|0,0,0]=1 100 B8R0.23 CC(=O)NC(C)C(=O)O MC436013 [0,0,1,0,0,0|0,0,0]=1 101 B8R0.23 CC(=O)NC(C)C(=O)O MC436014 [0,0,1,0,0,0|0,0,0]=1 102 B8R0.23 CC(=O)NC(C)C(N)=O MC436017 [0,0,1,0,0,0|1,0,0]=2 103 B8R0.23 CC(NC(=N)N)C(=O)O MC435604 [0,0,1,0,0,0|2,0,0]=3 104 B8R0.23 CC(NC(N)=O)C(=O)O MC436835 [0,0,1,0,0,0|1,0,0]=2 105 B8R0.23 NC(=O)CC(N)C(=O)O CS19152 [0,0,1,0,0,0|3,0,0]=4 106 B8R0.23 NC(=O)CC(N)C(=O)O MC436231 [0,0,1,0,0,0|3,0,0]=4 107 B8R0.23 NC(CC(=O)O)C(=O)O CS18065 [0,0,1,0,0,0|3,0,0]=4 108 B8R0.23 NC(CC(=O)O)C(=O)O MC436244 [0,0,1,0,0,0|3,0,0]=4 109 B8R0.23 O=C(O)CC(O)C(=O)O CS11286 [0,0,1,0,0,0|3,0,0]=4 110 B8R0.23 O=C(O)CC(O)C(=O)O MC20429 [0,0,1,0,0,0|3,0,0]=4 111 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,0,1,0,0,0|3,0,0]=4 112 B8R0.28 NC(=O)NCCC(=O)O MC436834 [0,0,1,0,0,0|1,0,0]=2 113 B8R0.28 O=C(O)CCCC(=O)O MC20876 [0,0,1,0,0,0|1,0,0]=2 114 B8R0.28 O=C(O)COCC(O)=S MC445127 [0,0,1,0,0,0|2,0,1]=4 115 B10R2.178 O=C1CCC2CCC1N2 MC105539 [0,0,0,1,0,0|2,0,1]=4 116 B10R2.178 O=C1NCC2CCC1N2 MC105362 [0,0,0,1,0,0|2,0,1]=4 117 B10R2.357 NC(=O)C1CC2CC2N1 CS17814 [0,0,0,1,0,0|2,0,1]=4 118 B10R2.357 NC(=O)C1CC2CC2N1 MC107659 [0,0,0,1,0,0|2,0,1]=4 119 B10R2.357 O=C(O)C1CC2CC2C1 MC103539 [0,0,0,1,0,0|2,0,1]=4 120 B10R2.357 O=C(O)C1CC2CC2N1 MC103441 [0,0,0,1,0,0|1,0,1]=3 121 B10R2.357 O=C(O)C1CC2CC2N1 MC105463 [0,0,0,1,0,0|1,0,1]=3 122 B8R1.23 C=C1CC(C(=O)O)C1 MC444295 [0,0,0,0,1,0|2,0,0]=3 123 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,0,0,0,1,0|2,0,1]=4 124 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,0,0,0,1,0|2,0,1]=4 125 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,0,0,0,1,0|2,0,1]=4 126 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,0,0,0,1,0|3,0,0]=4 127 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,0,0,0,1,0|2,0,1]=4 128 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,0,0,0,1,0|2,0,1]=4 129 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,0,0,0,1,0|2,0,1]=4 130 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,0,0,0,1,0|2,0,1]=4 131 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,0,0,0,1,0|2,0,1]=4 132 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,0,0,0,1,0|2,0,1]=4 133 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,0,0,0,1,0|2,0,1]=4 134 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,0,0,0,1,0|1,0,2]=4 135 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,0,0,0,1,0|1,0,2]=4 136 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,0,0,0,1,0|1,0,2]=4 137 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [0,0,0,0,1,0|1,0,0]=2 138 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,0,0,0,1,0|0,0,0]=1 139 B8R1.31 NC1CCC1C(=O)O MC104253 [0,0,0,0,1,0|1,0,1]=3 140 B8R1.31 NC1CCC1C(=O)O MC104335 [0,0,0,0,1,0|1,0,1]=3 141 B8R1.31 NC1CCC1C(=O)O MC104421 [0,0,0,0,1,0|1,0,1]=3 142 B8R1.31 NC1CCC1C(=O)O MC105420 [0,0,0,0,1,0|1,0,1]=3 143 B10R1.13 CC(=O)C1CC=C(C)CC1 CS14813 [0,0,0,0,0,1|3,0,0]=4 144 B10R1.13 CC1CCC(C(N)=O)CN1 MC425228 [0,0,0,0,0,1|2,0,1]=4 145 B10R1.13 NC1CCC(C(=O)O)CC1 CS12037 [0,0,0,0,0,1|2,0,1]=4 146 B10R1.13 NC1CCC(C(=O)O)CC1 CS14216 [0,0,0,0,0,1|2,0,1]=4 147 B10R1.13 NC1CCC(C(=O)O)CC1 CS14217 [0,0,0,0,0,1|2,0,1]=4 148 B10R1.13 O=C(O)C1CCC(O)CC1 MC428316 [0,0,0,0,0,1|1,0,2]=4 149 B10R1.13 O=C(O)C1CCC(O)CN1 MC102531 [0,0,0,0,0,1|0,0,2]=3 150 B10R1.13 O=C(O)C1CCC(O)CN1 MC103741 [0,0,0,0,0,1|0,0,2]=3 151 B10R1.13 O=C(O)C1CCC(O)CN1 MC105262 [0,0,0,0,0,1|0,0,2]=3 152 B10R1.13 O=C1C=CC(C(=O)O)N=N1 CS17837 [0,0,0,0,0,1|0,0,3]=4 153 B10R1.13 O=C1CCC(C(=O)O)CC1 MC425116 [0,0,0,0,0,1|1,0,0]=2 154 B10R1.13 O=C1CCC(C(=O)O)CN1 MC444434 [0,0,0,0,0,1|0,0,0]=1 155 B10R1.13 O=C1CNC(C(=O)O)CN1 CS17718 [0,0,0,0,0,1|1,0,0]=2 156 B10R1.113 CC1CCNC(C(=O)O)C1 CS13084 [0,0,0,0,0,1|2,0,1]=4 157 B10R1.113 NC1CCCC(C(=O)O)C1 CS14264 [0,0,0,0,0,1|2,0,1]=4 158 B10R1.113 NC1CCCC(C(=O)O)C1 CS17221 [0,0,0,0,0,1|2,0,1]=4 159 B10R1.113 NC1CCCC(C(=O)O)C1 CS17237 [0,0,0,0,0,1|2,0,1]=4 160 B10R1.113 NC1CCCC(C(=O)O)C1 CS19619 [0,0,0,0,0,1|2,0,1]=4 161 B10R1.113 NC1CCCC(C(=O)O)C1 MC105219 [0,0,0,0,0,1|2,0,1]=4 162 B10R1.113 O=C(O)C1CC(O)CCN1 MC445804 [0,0,0,0,0,1|1,0,2]=4 163 B10R1.113 O=C1C=NC=C(C(=O)O)N1 CS17150 [0,0,0,0,0,1|0,0,3]=4 164 B10R1.113 O=C1CCNC(C(=O)O)C1 MC113049 [0,0,0,0,0,1|1,0,0]=2 165 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445805 [0,0,0,0,0,1|1,0,0]=2 166 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445809 [0,0,0,0,0,1|1,0,0]=2 167 B10R1.113 O=C1N=CC=C(C(=O)O)N1 CS12225 [0,0,0,0,0,1|0,0,3]=4 168 B7R0.3 COC(=O)CCC=O MC21172 [1,0,1,0,0,0|2,0,0]=4 169 B7R0.4 C#CCCCC(=O)O CS14686 [1,0,1,0,0,0|1,0,1]=4 170 B7R0.4 C=CCNCC(=O)O MC439317 [1,0,1,0,0,0|2,0,0]=4 171 B7R0.4 CCCOCC(=O)O MC425744 [1,0,1,0,0,0|1,0,1]=4 172 B7R0.4 NCCCCC(=O)O MC428108 [1,0,1,0,0,0|0,0,1]=3 173 B7R0.4 NCCNCC(=O)O MC436179 [1,0,1,0,0,0|1,0,1]=4 174 B7R0.4 O=C(O)CCCCBr MC41866 [1,0,1,0,0,0|1,0,1]=4 175 B7R0.5 C#CCC(N)C(=O)O CS13900 [1,0,1,0,0,0|0,0,2]=4 176 B7R0.5 C#CCC(N)C(=O)O MC21037 [1,0,1,0,0,0|0,0,2]=4 177 B7R0.5 C#CCC(N)C(=O)O MC438112 [1,0,1,0,0,0|0,0,2]=4 178 B7R0.5 C=CCC(N)C(=O)O MC439179 [1,0,1,0,0,0|0,0,1]=3 179 B7R0.5 CCCC(N)C(=O)O CS10518 [1,0,1,0,0,0|0,0,1]=3 180 B7R0.5 CCCC(N)C(=O)O CS17028 [1,0,1,0,0,0|0,0,1]=3 181 B7R0.5 CCCC(N)C(=O)O MC439125 [1,0,1,0,0,0|0,0,1]=3 182 B7R0.5 CCCC(N)C(N)=O MC438024 [1,0,1,0,0,0|1,0,1]=4 183 B7R0.5 COCC(N)C(=O)O CS12183 [1,0,1,0,0,0|1,0,1]=4 184 B7R0.5 COCC(N)C(=O)O CS16755 [1,0,1,0,0,0|1,0,1]=4 185 B7R0.5 COCC(N)C(=O)O CS20335 [1,0,1,0,0,0|1,0,1]=4 186 B7R0.5 CSCC(N)C(=O)O MC439293 [1,0,1,0,0,0|1,0,1]=4 187 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [1,0,1,0,0,0|1,0,1]=4 188 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [1,0,1,0,0,0|1,0,1]=4 189 B7R0.5 N#CCC(N)C(=O)O MC436869 [1,0,1,0,0,0|1,0,1]=4 190 B7R0.5 NC(CCO)C(=O)O CS13886 [1,0,1,0,0,0|0,0,1]=3 191 B7R0.5 NC(CCO)C(=O)O CS16701 [1,0,1,0,0,0|0,0,1]=3 192 B7R0.5 NC(CCO)C(=O)O CS22620 [1,0,1,0,0,0|0,0,1]=3 193 B7R0.5 NCCC(N)C(=O)O CS13874 [1,0,1,0,0,0|1,0,0]=3 194 B7R0.5 NCCC(N)C(=O)O CS15080 [1,0,1,0,0,0|1,0,0]=3 195 B7R0.5 NCCC(N)C(=O)O MC436921 [1,0,1,0,0,0|1,0,0]=3 196 B7R0.5 NCCC(N)C(=O)O MC439091 [1,0,1,0,0,0|1,0,0]=3 197 B7R0.5 NCCC(N)C(=O)O MC439321 [1,0,1,0,0,0|1,0,0]=3 198 B7R0.5 NCCC(O)C(=O)O CS15496 [1,0,1,0,0,0|2,0,0]=4 199 B7R0.5 NCCC(O)C(=O)O CS21759 [1,0,1,0,0,0|2,0,0]=4 200 B7R0.6 C=C(C)CCC(=O)O CS16527 [1,0,1,0,0,0|2,0,0]=4 201 B7R0.6 CC(=O)CCC(=O)O CS18688 [1,0,1,0,0,0|1,0,0]=3 202 B7R0.6 CC(=O)NCC(=O)O CS19131 [1,0,1,0,0,0|0,0,0]=2 203 B7R0.15 CCC(CN)C(=O)O MC105840 [1,0,1,0,0,0|1,0,1]=4 204 B7R0.15 CCC(CN)C(=O)O MC105841 [1,0,1,0,0,0|1,0,1]=4 205 B7R0.15 CNC(CO)C(=O)O MC435500 [1,0,1,0,0,0|1,0,1]=4 206 B7R0.15 CNC(CO)C(=O)O MC437945 [1,0,1,0,0,0|1,0,1]=4 207 B7R1.1 O=CC1CCCC1 MC21048 [2,0,0,0,0,0|1,0,1]=4 208 B7R1.1 OCC1CCCN1 CS17003 [2,0,0,0,0,0|0,0,2]=4 209 B7R1.1 OCC1CCCN1 CS22640 [2,0,0,0,0,0|0,0,2]=4 210 B7R1.2 CC1COC(=O)N1 CS14300 [2,0,0,0,0,0|1,0,1]=4 211 B7R1.2 O=C1CC(O)CN1 CS14706 [2,0,0,0,0,0|2,0,0]=4 212 B7R1.2 O=C1CC(O)CN1 CS16472 [2,0,0,0,0,0|2,0,0]=4 213 B7R1.2 O=C1CCC(=O)N1 MC41707 [2,0,0,0,0,0|0,0,1]=3 214 B7R1.2 O=C1CCC(I)C1 MC115016 [2,0,0,0,0,0|2,0,0]=4 215 B7R1.2 O=C1CSC(=O)N1 CS22526 [2,0,0,0,0,0|1,0,1]=4 216 B9R0.7 C=C(C)CCC(N)C(=O)O MC435324 [0,1,1,0,0,0|1,0,0]=3 217 B9R0.7 C=C(C)CCC(N)C(=O)O MC435325 [0,1,1,0,0,0|1,0,0]=3 218 B9R0.7 CC(=O)OCC(N)C(=O)O MC428251 [0,1,1,0,0,0|1,0,0]=3 219 B9R0.7 CC(=O)OCC(N)C(=O)O MC438163 [0,1,1,0,0,0|1,0,0]=3 220 B9R0.7 CC(C)CCC(N)C(=O)O CS10576 [0,1,1,0,0,0|1,0,1]=4 221 B9R0.7 CS(=O)CCC(N)C(=O)O MC437958 [0,1,1,0,0,0|1,0,0]=3 222 B9R0.7 NC(=O)C(N)CCC(=O)O MC437667 [0,1,1,0,0,0|1,0,0]=3 223 B9R0.7 NC(=O)C(N)CCC(=O)O MC437668 [0,1,1,0,0,0|1,0,0]=3 224 B9R0.7 NC(=O)CCC(N)C(=O)O MC437648 [0,1,1,0,0,0|0,0,0]=2 225 B9R0.7 NC(=O)CCC(N)C(=O)O MC437649 [0,1,1,0,0,0|0,0,0]=2 226 B9R0.7 NC(=O)CCC(N)C(N)=O MC437652 [0,1,1,0,0,0|1,0,0]=3 227 B9R0.7 NC(=O)CCC(N)C(N)=O MC437653 [0,1,1,0,0,0|1,0,0]=3 228 B9R0.7 NC(=O)NCC(N)C(=O)O MC436167 [0,1,1,0,0,0|1,0,0]=3 229 B9R0.7 NC(=O)SCC(N)C(=O)O MC436904 [0,1,1,0,0,0|1,0,0]=3 230 B9R0.7 NC(CCC(=O)O)B(O)O MC442664 [0,1,1,0,0,0|1,0,1]=4 231 B9R0.7 NC(CCC(=O)O)B(O)O MC442665 [0,1,1,0,0,0|1,0,1]=4 232 B9R0.7 NC(CCC(=O)O)C(=O)O CS14946 [0,1,1,0,0,0|0,0,0]=2 233 B9R0.7 NC(CCC(=O)O)C(=O)O CS15295 [0,1,1,0,0,0|0,0,0]=2 234 B9R0.7 NC(CCC(=O)O)C(=O)O MC437662 [0,1,1,0,0,0|0,0,0]=2 235 B9R0.7 NC(CCC(=O)O)C(=O)O MC437663 [0,1,1,0,0,0|0,0,0]=2 236 B9R0.7 O=C(O)CCC(=O)C(=O)O CS14149 [0,1,1,0,0,0|1,0,1]=4 237 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MC113891 [0,1,1,0,0,0|1,0,1]=4 238 B9R0.8 CCCCC(N)C(=O)OC MC438018 [0,1,1,0,0,0|1,0,1]=4 239 B9R0.8 CCCCC(N)C(=O)OC MC438019 [0,1,1,0,0,0|1,0,1]=4 240 B9R0.8 COC(=O)C(N)CCCN MC438048 [0,1,1,0,0,0|1,0,1]=4 241 B9R0.8 COC(=O)C(N)CCSC MC437955 [0,1,1,0,0,0|2,0,0]=4 242 B9R0.8 COC(=O)C(N)CCSC MC437956 [0,1,1,0,0,0|2,0,0]=4 243 B9R0.8 COC(=O)C(N)CCSC MC439011 [0,1,1,0,0,0|2,0,0]=4 244 B9R0.13 CCCCC(NC)C(=O)O MC435132 [0,1,1,0,0,0|1,0,1]=4 245 B9R0.13 CCCCC(NC)C(=O)O MC435489 [0,1,1,0,0,0|1,0,1]=4 246 B9R0.13 CNC(CCCN)C(=O)O MC435491 [0,1,1,0,0,0|1,0,1]=4 247 B9R0.13 CNC(CCCN)C(=O)O MC435492 [0,1,1,0,0,0|1,0,1]=4 248 B9R0.13 CNC(CCSC)C(=O)O MC435530 [0,1,1,0,0,0|2,0,0]=4 249 B9R0.47 NCCCCC(N)C(=O)O CS18635 [0,1,1,0,0,0|1,0,1]=4 250 B9R0.47 NCCCCC(N)C(=O)O CS18638 [0,1,1,0,0,0|1,0,1]=4 251 B9R0.47 NCCCCC(N)C(=O)O CS19147 [0,1,1,0,0,0|1,0,1]=4 252 B9R0.47 NCCCCC(N)C(=O)O CS19277 [0,1,1,0,0,0|1,0,1]=4 253 B9R0.47 NCCCCC(N)C(=O)O MC20432 [0,1,1,0,0,0|1,0,1]=4 254 B9R0.47 NCCCCC(N)C(=O)O MC435005 [0,1,1,0,0,0|1,0,1]=4 255 B9R0.47 NCCCCC(N)C(=O)O MC439006 [0,1,1,0,0,0|1,0,1]=4 256 B9R0.47 NCCSCC(N)C(=O)O MC436895 [0,1,1,0,0,0|1,0,1]=4 257 B9R0.47 NC\C=C\CC(N)C(=O)O MC436933 [0,1,1,0,0,0|1,0,1]=4 258 B9R0.47 [N-]=[N+]=NCCC(N)C(=O)O MC436281 [0,1,1,0,0,0|2,0,0]=4 259 B9R0.51 COCCC(C)(N)C(=O)O MC106310 [0,1,1,0,0,0|2,0,0]=4 260 B9R0.23 CN(CC(=O)O)C(=O)CN MC439432 [0,1,1,0,0,0|1,0,0]=3 261 B9R0.23 COC(=O)C(N)CC(=O)O MC436253 [0,1,1,0,0,0|2,0,0]=4 262 B9R0.23 COC(=O)C(N)CC(=O)O MC436254 [0,1,1,0,0,0|2,0,0]=4 263 B9R0.23 COC(=O)C(N)CC(=O)O MC436255 [0,1,1,0,0,0|2,0,0]=4 264 B9R0.23 COC(=O)C(N)CC(=O)O MC436271 [0,1,1,0,0,0|2,0,0]=4 265 B9R0.24 COC(=O)CNC(=O)CN MC439205 [0,1,1,0,0,0|1,0,0]=3 266 B9R0.48 CCOC(=O)CCC(=O)Cl MC40471 [0,1,1,0,0,0|2,0,0]=4 267 B9R0.48 CCOC(=O)CCC(=O)O CS11693 [0,1,1,0,0,0|1,0,0]=3 268 B9R0.33 CC(C)C(NC=O)C(=O)O MC437647 [0,1,1,0,0,0|0,0,0]=2 269 B9R0.39 CC(=O)NC(CS)C(=O)O CS19200 [0,1,1,0,0,0|1,0,0]=3 270 B9R0.39 CC(=O)NC(CS)C(N)=O MC10785 [0,1,1,0,0,0|2,0,0]=4 271 B9R0.39 CCC(NC(C)=O)C(=O)O MC428063 [0,1,1,0,0,0|0,0,0]=2 272 B9R0.39 CCC(NC(C)=O)C(=O)O MC439247 [0,1,1,0,0,0|0,0,0]=2 273 B9R0.39 CNC(CC(=O)O)C(=O)O MC437899 [0,1,1,0,0,0|2,0,0]=4 274 B9R0.39 CNC(CC(=O)O)C(=O)O MC437900 [0,1,1,0,0,0|2,0,0]=4 275 B9R0.39 CNC(CC(=O)O)C(=O)O MC446678 [0,1,1,0,0,0|2,0,0]=4 276 B9R0.39 CNC(CC(N)=O)C(=O)O MC435534 [0,1,1,0,0,0|2,0,0]=4 277 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl CS21206 [0,1,1,0,0,0|2,0,0]=4 278 B9R0.11 CC(C)(CC(=O)O)C(=O)O CS19959 [0,1,1,0,0,0|2,0,0]=4 279 B9R0.79 CC(C(=O)O)C(N)C(=O)O MC20536 [0,1,1,0,0,0|2,0,0]=4 280 B9R0.1 NCC(=O)NCCC(=O)O MC435044 [0,1,1,0,0,0|1,0,0]=3 281 B9R0.53 NC(CC(=O)O)CC(=O)O MC439301 [0,1,1,0,0,0|1,0,0]=3 282 B9R1.132 CN1C(=O)CCC1CO MC102373 [1,1,0,0,0,0|0,0,1]=3 283 B9R1.11 COC(=O)C1C=CCN1 MC436937 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.11 COC(=O)C1CCCN1 CS11440 [1,1,0,0,0,0|0,0,1]=3 285 B9R1.11 COC(=O)C1CCCN1 CS18447 [1,1,0,0,0,0|0,0,1]=3 286 B9R1.11 COC(=O)C1CCCN1 MC438131 [1,1,0,0,0,0|0,0,1]=3 287 B9R1.11 COC(=O)C1CCNC1 MC103933 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.41 CN1CCCC1C(=O)O CS11794 [1,1,0,0,0,0|0,0,1]=3 289 B9R1.41 CN1CCCC1C(=O)O MC437939 [1,1,0,0,0,0|0,0,1]=3 290 B9R1.41 O=C(O)C1CCNC1=O MC105243 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.41 O=C(O)C1NCCC1O MC105345 [1,1,0,0,0,0|0,0,1]=3 292 B9R1.41 O=C(O)C1NCCC1O MC105346 [1,1,0,0,0,0|0,0,1]=3 293 B9R1.41 O=C(O)C1NCCC1O MC105412 [1,1,0,0,0,0|0,0,1]=3 294 B9R1.163 CC1(C(=O)O)CCCN1 MC10549 [1,1,0,0,0,0|0,0,1]=3 295 B9R1.163 CC1(C(=O)O)CCCN1 MC437940 [1,1,0,0,0,0|0,0,1]=3 296 B9R1.163 CC1(C(=O)O)CCOC1 MC103813 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.163 NC1(C(=O)O)CCCC1 CS18420 [1,1,0,0,0,0|1,0,1]=4 298 B9R1.163 NC1(C(=O)O)CCOC1 MC20730 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.163 O=C(O)C1(F)CCCC1 MC443736 [1,1,0,0,0,0|1,0,1]=4 300 B9R1.163 O=C(O)C1(F)CCNC1 MC104696 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.163 O=C(O)C1(O)CCCC1 CS20733 [1,1,0,0,0,0|1,0,1]=4 302 B9R1.82 COC(=O)C1CC(=O)C1 CS13104 [0,1,0,0,1,0|1,0,0]=3 303 B9R1.152 C=C1CC(C)(C(=O)O)C1 MC105172 [0,1,0,0,1,0|2,0,0]=4 304 B9R1.164 O=C(O)C1CS(=O)(=O)C1 MC425158 [0,1,0,0,1,0|2,0,0]=4 305 B9R1.81 COC(=O)C1CCC1N MC103768 [0,1,0,0,1,0|1,0,1]=4 306 B11R1.22 COC(=O)C1CCC(=O)CC1 CS15890 [0,1,0,0,0,1|1,0,0]=3 307 B11R1.22 COC(=O)C1CCC(=O)NC1 MC444553 [0,1,0,0,0,1|0,0,0]=2 308 B11R1.22 COC(=O)C1CCC(C)NC1 MC100320 [0,1,0,0,0,1|1,0,1]=4 309 B11R1.22 COC(=O)C1CCC(C)NC1 MC100321 [0,1,0,0,0,1|1,0,1]=4 310 B11R1.22 COC(=O)C1CCC(C)NC1 MC116241 [0,1,0,0,0,1|1,0,1]=4 311 B11R1.22 COC(=O)C1CCC(O)CN1 MC104798 [0,1,0,0,0,1|0,0,2]=4 312 B11R1.727 O=C(O)C1CCC(F)(F)CN1 MC103632 [0,1,0,0,0,1|1,0,1]=4 313 B11R1.710 O=C(O)CC1CCS(=O)(=O)N1 MC104179 [0,1,0,0,0,1|1,0,0]=3 314 B11R1.23 COC(=O)C1CC(=O)CCN1 MC102440 [0,1,0,0,0,1|1,0,0]=3 315 B11R1.23 COC(=O)C1CC(=O)CCN1 MC445806 [0,1,0,0,0,1|1,0,0]=3 316 B11R1.23 COC(=O)C1CC(=O)CCN1 MC445807 [0,1,0,0,0,1|1,0,0]=3 317 B11R1.23 COC(=O)C1CNCC(=O)N1 CS17830 [0,1,0,0,0,1|0,0,0]=2 318 B11R1.74 O=C1CC(=O)OC(C(=O)O)C1 MC444303 [0,1,0,0,0,1|1,0,0]=3 319 B11R1.74 O=C1CC(C(=O)O)NC(=O)N1 CS11545 [0,1,0,0,0,1|0,0,1]=3 320 B11R1.15 CCOC(=O)C1CCC(=O)N1 CS15604 [0,2,0,0,0,0|0,0,0]=2 321 B11R1.15 CCOC(=O)C1CCC(=O)N1 CS15722 [0,2,0,0,0,0|0,0,0]=2 322 B11R1.15 CCOC(=O)N1CCC(=O)C1 CS18745 [0,2,0,0,0,0|2,0,0]=4 323 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 MC429806 [0,2,0,0,0,0|1,0,1]=4 324 B11R1.672 CN1CC(C(=O)O)N(C)C1=O MC107880 [0,2,0,0,0,0|1,0,0]=3 325 B9R1.6 O=C(O)C1CC=CCC1 MC20590 [0,0,1,1,0,0|2,0,0]=4 326 B9R1.6 O=C(O)C1CC=CCC1 MC20996 [0,0,1,1,0,0|2,0,0]=4 327 B9R1.6 O=C(O)C1CCCCN1 CS13937 [0,0,1,1,0,0|1,0,1]=4 328 B9R1.6 O=C(O)C1CCCCN1 CS18416 [0,0,1,1,0,0|1,0,1]=4 329 B9R1.6 O=C(O)C1CCCCN1 CS18418 [0,0,1,1,0,0|1,0,1]=4 330 B9R1.6 O=C(O)C1CCCCN1 CS18433 [0,0,1,1,0,0|1,0,1]=4 331 B9R1.69 CC1CCC(=O)NC1=O MC427305 [0,0,1,1,0,0|2,0,0]=4 332 B9R1.69 NC1CCC(=O)NC1=O CS13348 [0,0,1,1,0,0|1,0,0]=3 333 B9R1.69 NC1CCC(=O)NC1=O MC105196 [0,0,1,1,0,0|1,0,0]=3 334 B9R1.69 O=C1CCC(Br)C(=O)N1 MC106801 [0,0,1,1,0,0|2,0,0]=4 335 B9R1.110 NC(C(=O)O)C1CCC1 MC444160 [0,0,1,1,0,0|1,0,1]=4 336 B9R1.110 NC(C(=O)O)C1CCC1 MC444508 [0,0,1,1,0,0|1,0,1]=4 337 B9R1.110 NC(C(=O)O)C1COC1 MC101964 [0,0,1,1,0,0|2,0,0]=4 338 B9R1.112 NC(CC1CC1)C(=O)O CS18682 [0,0,1,1,0,0|1,0,1]=4 339 B9R1.161 O=C(O)C1CC1C(=O)O MC33398 [0,0,1,1,0,0|2,0,0]=4 340 B9R1.53 CC(=O)OC1CC(=O)N1 CS18165 [0,0,1,1,0,0|2,0,0]=4 341 B9R1.53 NC1CC(CC(=O)O)C1 MC103479 [0,0,1,1,0,0|1,0,1]=4 342 B9R1.53 NC1CC(CC(=O)O)C1 MC103480 [0,0,1,1,0,0|1,0,1]=4 343 B9R1.53 NC1CC(CC(=O)O)C1 MC103481 [0,0,1,1,0,0|1,0,1]=4 344 B9R2.39 O=C1NC2C=CC1C2 CS19496 [1,0,0,1,0,0|1,0,0]=3 345 B9R2.39 O=C1NC2C=CC1C2 CS19497 [1,0,0,1,0,0|1,0,0]=3 346 B11R2.139 O=C1CC2CC(=O)CC2C1 CS12011 [0,0,0,1,0,1|2,0,0]=4 347 B11R2.738 O=C1NC2CC1C(O)C2O MC106925 [0,1,0,1,0,0|0,0,2]=4 348 B11R2.201 O=C1OC(=O)C2CCC1N2 MC110579 [0,1,0,1,0,0|0,0,1]=3 349 B7R1.8 O=C1CCC1CO MC104211 [1,0,0,0,1,0|0,0,1]=3 350 B7R1.8 O=C1CCC1CO MC104212 [1,0,0,0,1,0|0,0,1]=3 351 B7R1.8 O=C1CCC1CO MC104213 [1,0,0,0,1,0|0,0,1]=3 352 B7R1.10 NCC1CC(=O)N1 MC111758 [1,0,0,0,1,0|1,0,1]=4 353 B7R1.10 O=C1CC(CI)N1 MC111759 [1,0,0,0,1,0|1,0,1]=4 354 B7R1.10 O=C1CC(CO)C1 MC113039 [1,0,0,0,1,0|1,0,1]=4 355 B7R1.18 O=C(O)C1CCC1 CS22786 [1,0,0,0,1,0|0,0,1]=3 356 B7R1.18 O=C(O)C1CCN1 CS16493 [1,0,0,0,1,0|0,0,0]=2 357 B7R1.18 O=C(O)C1CCN1 CS16972 [1,0,0,0,1,0|0,0,0]=2 358 B7R1.18 O=C(O)C1CCN1 CS18844 [1,0,0,0,1,0|0,0,0]=2 359 B7R1.18 O=C(O)C1CCN1 MC436280 [1,0,0,0,1,0|0,0,0]=2 360 B7R1.18 O=C(O)C1CCO1 MC115721 [1,0,0,0,1,0|1,0,0]=3 361 B7R1.18 O=C(O)C1CNC1 CS16485 [1,0,0,0,1,0|1,0,1]=4 362 B7R1.18 O=C(O)C1COC1 CS22389 [1,0,0,0,1,0|1,0,1]=4 363 B7R1.18 O=C(O)C1CSC1 MC100118 [1,0,0,0,1,0|1,0,1]=4 364 B7R1.12 CC1CC1C(=O)O MC100841 [0,0,0,0,2,0|1,0,1]=4 365 B7R1.12 CC1CC1C(=O)O MC103281 [0,0,0,0,2,0|1,0,1]=4 366 B7R1.12 O=C(O)C1CC1Br MC430635 [0,0,0,0,2,0|1,0,1]=4 367 B7R1.12 O=C(O)C1CC1F MC21162 [0,0,0,0,2,0|1,0,1]=4 368 B7R1.12 O=C(O)C1CC1F MC425300 [0,0,0,0,2,0|1,0,1]=4 369 B7R1.12 O=C(O)C1CC1F MC425301 [0,0,0,0,2,0|1,0,1]=4 370 B7R1.12 O=C(O)C1CC1F MC425302 [0,0,0,0,2,0|1,0,1]=4 371 B7R1.12 O=C(O)C1CC1F MC425316 [0,0,0,0,2,0|1,0,1]=4 372 B7R1.12 O=C(O)C1CC1I MC102749 [0,0,0,0,2,0|1,0,1]=4 373 B7R1.12 O=C(O)C1CC1I MC425298 [0,0,0,0,2,0|1,0,1]=4 374 B9R0.4 C[Se]CCC(N)CC(=O)O MC435596 [0,0,1,0,0,1|2,0,0]=4 375 B9R0.4 C[Se]CCC(N)CC(=O)O MC435597 [0,0,1,0,0,1|2,0,0]=4 376 B9R0.55 O=C(Cl)CCCCC(=O)Cl MC40434 [0,0,1,0,0,1|2,0,0]=4 377 B9R1.2 O=C1CC(CO)CCN1 MC444199 [1,0,0,0,0,1|1,0,1]=4 378 B9R1.2 O=C1COCC(CO)N1 CS17255 [1,0,0,0,0,1|0,0,1]=3 379 B9R1.13 O=C(O)CC1CCCC1 MC112805 [1,0,0,0,0,1|1,0,1]=4 380 B9R1.13 O=C(O)CC1CCCN1 MC106679 [1,0,0,0,0,1|0,0,1]=3 381 B9R1.13 O=C(O)CC1CCNC1 MC104574 [1,0,0,0,0,1|2,0,0]=4 382 B9R1.13 O=C(O)CC1CCNC1 MC105475 [1,0,0,0,0,1|2,0,0]=4 383 B9R1.13 O=C(O)CC1CCOC1 CS20367 [1,0,0,0,0,1|2,0,0]=4 384 B11R1.20 CC(=O)NC1CCC(=O)CC1 CS14069 [0,0,0,0,0,2|2,0,0]=4