0 B7R0.10 C=C(CCl)C(=O)OC X7009 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.10 CCC(=O)C(O)CC 8871AL [0,0,0,0,0,0|0,0,2]=2 2 B7R0.10 CCC(C)C(=O)NN 8409AE [0,0,0,0,0,0|3,0,1]=4 3 B7R0.10 CCC(C)C(C)CC 5907AL [0,0,0,0,0,0|2,0,2]=4 4 B7R0.10 CC[C@@H](O)C(=O)OC 9868AL [0,0,0,0,0,0|1,0,2]=3 5 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [0,0,0,0,0,0|1,0,2]=3 6 B7R0.10 CNC(=S)C(=S)NC 1000AD [0,0,0,0,0,0|2,2,0]=4 7 B7R0.10 COC(=O)C(=O)NN 7238AE [0,0,0,0,0,0|3,0,0]=3 8 B7R0.10 COC(=O)C(F)CO 0323AC [0,0,0,0,0,0|3,0,1]=4 9 B7R0.10 COC(=O)C(O)CO 0209AP [0,0,0,0,0,0|2,0,2]=4 10 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [0,0,0,0,0,0|3,0,1]=4 11 B7R0.10 COC(=O)[C@@H](C)CO X3276 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.10 C\C=C(/Br)C(=O)OC 3521AL [0,0,0,0,0,0|2,0,1]=3 13 B6R0.1 CC#CC(=O)OC X7106 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.1 CCC(=O)CSC K829 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.1 CCCC(=O)SC 8847AJ [1,0,0,0,0,0|1,0,1]=3 16 B6R0.1 CCCC(Br)CC 3975AB [1,0,0,0,0,0|1,0,2]=4 17 B6R0.1 CCCC(C)CC 7810AF [1,0,0,0,0,0|1,0,2]=4 18 B6R0.1 CCCC(O)CC 7557AF [1,0,0,0,0,0|0,0,3]=4 19 B6R0.1 CCNC(C)CC 7145AD [1,0,0,0,0,0|2,0,1]=4 20 B6R0.1 CCOC(=N)CC 8352AC [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 CNC(=O)CCN 4757AE [1,0,0,0,0,0|2,0,1]=4 22 B6R0.1 CNC(=O)CCO 8079AE [1,0,0,0,0,0|2,0,1]=4 23 B6R0.1 COC(=O)CCCl X6204 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.1 COC(=O)\C=C\N 1217AQ [1,0,0,0,0,0|2,0,1]=4 25 B6R0.1 COCC(=O)OC J70196 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.3 C=C(CBr)C(=O)O 1795AL [1,0,0,0,0,0|3,0,0]=4 27 B6R0.3 CC(=O)C(=O)CCl 5581AE [1,0,0,0,0,0|1,0,0]=2 28 B6R0.3 CC(=O)C(N)CO 6844AC [1,0,0,0,0,0|2,0,1]=4 29 B6R0.3 CCC(=O)C(C)Br 5539AL [1,0,0,0,0,0|1,0,1]=3 30 B6R0.3 CCC(=O)C(C)S 5675AL [1,0,0,0,0,0|0,1,1]=3 31 B6R0.3 CCC(C)C(C)=O U423 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.3 CCC(O)C(=O)[O-] 8154AL [1,0,0,0,0,0|1,0,2]=4 33 B6R0.3 CCC(S)C(C)=O 9471AJ [1,0,0,0,0,0|0,1,1]=3 34 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [1,0,0,0,0,0|2,0,1]=4 35 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [1,0,0,0,0,0|2,0,1]=4 36 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.3 CN(C)C(=O)CI 1440AC [1,0,0,0,0,0|3,0,0]=4 38 B6R0.3 CN(C)C(=O)CN W4015 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.3 CN(C)C(=O)CN Z5718 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.3 CNC(=O)C(C)Cl 3091AE [1,0,0,0,0,0|2,0,1]=4 41 B6R0.3 COC(=O)N(C)N 6989AD [1,0,0,0,0,0|3,0,0]=4 42 B6R0.3 COC(=O)[C@@H](C)Cl X3442 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.3 CSC(C)C(C)=O 6125AL [1,0,0,0,0,0|2,0,1]=4 44 B6R0.3 C\C=C(/C)C(C)=O 6105AL [1,0,0,0,0,0|1,0,1]=3 45 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [1,0,0,0,0,0|2,0,1]=4 46 B6R0.3 NNC(=O)C(N)=O 4727AE [1,0,0,0,0,0|3,0,0]=4 47 B8R0.2 CNC(=O)C(N)C(C)C 6354AD [0,1,0,0,0,0|2,0,1]=4 48 B8R0.2 COC(=O)C(=O)C(C)C 7036AJ [0,1,0,0,0,0|1,0,0]=2 49 B8R0.2 COC(=O)C(Br)=C(C)C 4627AE [0,1,0,0,0,0|2,0,1]=4 50 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O X4361 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.2 COC(=O)[C@H](O)C(C)C 9860AL [0,1,0,0,0,0|1,0,2]=4 52 B8R0.3 C=C(CCl)C(=O)OCC 5041AL [0,1,0,0,0,0|2,0,0]=3 53 B8R0.3 C=C(CO)C(=O)OCC X8486 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.3 CCCC(=O)C(C)CC 7877AA [0,1,0,0,0,0|1,0,1]=3 55 B8R0.3 CCCC(N)C(=O)NC 1487AF [0,1,0,0,0,0|2,0,1]=4 56 B8R0.3 CN(CCO)C(=O)CN 2090AD [0,1,0,0,0,0|3,0,0]=4 57 B8R0.3 CNCC(C)C(=O)OC Z2743 [0,1,0,0,0,0|2,0,1]=4 58 B8R1.5 CC1CCCOC1=O 3885AL [0,0,0,1,0,0|2,0,1]=4 59 B8R1.5 CC1COCCC1=O Z3955 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.5 CN1CCNCC1=O 1842AA [0,0,0,1,0,0|3,0,0]=4 61 B8R1.5 CN1CCNCC1=O 7723AJ [0,0,0,1,0,0|3,0,0]=4 62 B8R1.5 NC1CCCCC1=O 0726AC [0,0,0,1,0,0|1,0,1]=3 63 B8R1.5 NN1CCCCC1=O 3513AB [0,0,0,1,0,0|2,0,0]=3 64 B8R1.5 NN1CCCCC1=O Z4590 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [0,0,0,1,0,0|2,0,1]=4 66 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [0,0,0,1,0,0|2,0,1]=4 67 B8R1.5 O=C1CCCC=C1Br V6293 [0,0,0,1,0,0|1,0,1]=3 68 B8R1.5 O=C1CCCCC1Cl 7902AJ [0,0,0,1,0,0|1,0,1]=3 69 B8R1.5 O=C1NCCCC1Br 4146AB [0,0,0,1,0,0|2,0,1]=4 70 B8R1.5 O=C1NCCNC1=O 3615AD [0,0,0,1,0,0|2,0,0]=3 71 B8R1.11 O=C1CCCN1CO 7398AF [0,0,0,1,0,0|3,0,0]=4 72 B8R1.38 COC(=O)C1CCN1 3825AJ [0,0,0,1,0,0|2,0,1]=4 73 B8R1.38 COC(=O)C1CCN1 6194AA [0,0,0,1,0,0|2,0,1]=4 74 B8R1.39 COC(=O)C1(C)CC1 6825AE [0,0,0,1,0,0|2,0,1]=4 75 B8R1.50 CC1=C(Br)C(=O)CC1 1360AQ [0,0,0,1,0,0|1,0,1]=3 76 B8R1.50 CC1=C(C)C(=O)NC1 2679AE [0,0,0,1,0,0|2,0,1]=4 77 B8R1.50 CC1CCN(C)C1=O Y8129 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.50 CN1C(=O)CCC1O 5649AB [0,0,0,1,0,0|3,0,0]=4 79 B8R1.50 CN1CCC(Br)C1=O 0624AE [0,0,0,1,0,0|2,0,1]=4 80 B8R1.50 CN1CCC(N)C1=O 0714AD [0,0,0,1,0,0|2,0,1]=4 81 B8R1.50 CN1CCC(N)C1=O 2120AJ [0,0,0,1,0,0|2,0,1]=4 82 B8R0.19 CCC(C)NC(=O)CCl 0194AE [0,0,0,0,0,1|2,0,1]=4 83 B8R0.19 CCC(C)NC(=O)CN 1865AD [0,0,0,0,0,1|2,0,1]=4 84 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [0,0,0,0,0,1|1,0,2]=4 85 B5R0.1 CC(C)=CCCl 7671AJ [2,0,0,0,0,0|2,0,0]=4 86 B5R0.1 CCC=C(C)C 7499AF [2,0,0,0,0,0|1,0,0]=3 87 B5R0.1 CNCC(C)=O 4565AF [2,0,0,0,0,0|1,0,1]=4 88 B5R0.1 CNOC(C)=O 8699AL [2,0,0,0,0,0|2,0,0]=4 89 B5R0.1 C\C(Cl)=C/CCl 4550AL [2,0,0,0,0,0|2,0,0]=4 90 B5R0.1 C\C(Cl)=C\CN 9653AD [2,0,0,0,0,0|2,0,0]=4 91 B5R0.1 C\C(Cl)=C\CO X6578 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.2 CCCNCC 8554AL [2,0,0,0,0,0|1,0,1]=4 93 B5R0.2 CCCOCC 7892AL [2,0,0,0,0,0|1,0,1]=4 94 B5R0.2 CCCSCC R576 [2,0,0,0,0,0|1,0,1]=4 95 B5R0.2 CC[Se][Se]CC 7651AL [2,0,0,0,0,0|2,0,0]=4 96 B5R0.2 CC\C=C\C#N 5776AL [2,0,0,0,0,0|1,0,1]=4 97 B5R0.2 NC\C=C/CN Z2171 [2,0,0,0,0,0|2,0,0]=4 98 B5R0.3 CCC(=O)CN X8894 [2,0,0,0,0,0|1,0,0]=3 99 B5R0.3 CCC(=O)CO X5132 [2,0,0,0,0,0|1,0,0]=3 100 B5R0.3 CCC(=S)OC R571 [2,0,0,0,0,0|1,1,0]=4 101 B5R0.3 C\C=C(/C)CC 0241AQ [2,0,0,0,0,0|1,0,0]=3 102 B5R0.3 C\C=C(/C)CC 9220AL [2,0,0,0,0,0|1,0,0]=3 103 B5R0.3 C\C=C(\C)CC 7440AL [2,0,0,0,0,0|1,0,0]=3 104 B5R0.5 CC(=O)C(=O)[O-] 7017AF [2,0,0,0,0,0|1,0,0]=3 105 B5R0.5 CC(=O)C(C)F 0085AF [2,0,0,0,0,0|1,0,1]=4 106 B5R0.5 O=C(O)C(=O)O 7001AF [2,0,0,0,0,0|2,0,0]=4 107 B5R0.5 O=C([O-])C(=O)[O-] 6503AJ [2,0,0,0,0,0|2,0,0]=4 108 B7R0.2 CC(C)NC(=O)CBr 1764AC [1,1,0,0,0,0|2,0,0]=4 109 B7R0.2 CC(C)NC(=O)CN 6712AE [1,1,0,0,0,0|2,0,0]=4 110 B7R0.3 C=C(CC)CCCC 5608AL [1,1,0,0,0,0|1,0,1]=4 111 B7R0.3 CCC(=O)NCCN 3366AF [1,1,0,0,0,0|1,0,0]=3 112 B7R0.3 CCCNC(=O)CN V6930 [1,1,0,0,0,0|1,0,1]=4 113 B7R0.3 CCC\C=C(/C)CC 6104AL [1,1,0,0,0,0|1,0,0]=3 114 B7R0.3 CCNCC(=O)OC 2143AA [1,1,0,0,0,0|1,0,1]=4 115 B7R0.3 CCNCC(=O)OC 2988AC [1,1,0,0,0,0|1,0,1]=4 116 B7R0.3 CNCCC(=O)NC 5845AE [1,1,0,0,0,0|1,0,1]=4 117 B7R0.3 COC(=O)CCCS X9990 [1,1,0,0,0,0|1,0,1]=4 118 B7R0.3 C\C=C\CC(=O)OC 9761AJ [1,1,0,0,0,0|1,0,1]=4 119 B7R0.3 NCC(=O)NCCO 0947AF [1,1,0,0,0,0|2,0,0]=4 120 B7R0.5 CCCC(=O)C(C)C 5712AL [1,1,0,0,0,0|0,0,1]=3 121 B7R0.7 C=C=CC(=O)OCC 4330AD [1,1,0,0,0,0|0,0,2]=4 122 B7R0.7 CCNC(=O)CCN 1836AD [1,1,0,0,0,0|1,0,0]=3 123 B7R0.7 CCNC(=O)CNC 2852AF [1,1,0,0,0,0|1,0,0]=3 124 B7R0.7 CCOC(=O)CNC 5920AA [1,1,0,0,0,0|1,0,0]=3 125 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [1,1,0,0,0,0|1,0,1]=4 126 B7R0.7 CCOC(=O)\C=C/I 7873AL [1,1,0,0,0,0|1,0,1]=4 127 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [1,1,0,0,0,0|1,0,1]=4 128 B7R0.7 CCOS(=O)OCC 7113AF [1,1,0,0,0,0|2,0,0]=4 129 B7R0.7 CCSC(=O)SCC 7782AL [1,1,0,0,0,0|1,0,0]=3 130 B7R0.7 O=C(CCO)CCO 5879AB [1,1,0,0,0,0|1,0,1]=4 131 B7R0.11 CCSS(=O)(=O)CC S198 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.16 CC(=O)C(=O)C(C)Br Y2126 [1,1,0,0,0,0|0,0,0]=2 133 B7R0.16 CC(Cl)C(=O)N(C)C 7847AC [1,1,0,0,0,0|2,0,0]=4 134 B9R0.27 CCC(=O)C(F)C(=O)OC U647 [0,1,0,0,0,1|1,0,0]=3 135 B9R0.27 COC(=O)C(Br)C(=O)OC 7369AF [0,1,0,0,0,1|2,0,0]=4 136 B9R0.27 COC(=O)C(N)C(=O)OC 7671AB [0,1,0,0,0,1|2,0,0]=4 137 B9R0.34 CCC(C)NC(=O)CNC 1462AD [0,1,0,0,0,1|1,0,1]=4 138 B9R0.34 CCCC(=O)OC(C)CC 8954AL [0,1,0,0,0,1|1,0,1]=4 139 B9R0.34 CCOC(=O)CC(=O)CBr S244 [0,1,0,0,0,1|1,0,0]=3 140 B9R0.42 CCC(C)NC(=O)C(C)N 3093AD [0,1,0,0,0,1|1,0,1]=4 141 B9R0.6 C=C(C)C(=O)C(=O)OCC 6740AJ [0,2,0,0,0,0|0,0,1]=3 142 B9R0.6 CC(N)C(=O)N(C)CCO 2906AD [0,2,0,0,0,0|2,0,0]=4 143 B9R0.6 CCCC(C)C(=O)C(C)C 9737AA [0,2,0,0,0,0|1,0,1]=4 144 B9R0.6 CCNC(=O)C(N)C(C)C 2776AD [0,2,0,0,0,0|1,0,1]=4 145 B9R0.6 CCOC(=O)C(Br)C(C)Br 7846AL [0,2,0,0,0,0|1,0,1]=4 146 B9R0.41 CCN(CC)C(=O)C(C)N 0838AF [0,2,0,0,0,0|2,0,0]=4 147 B9R0.23 CCC(Br)C(=O)NC(C)C 2965AE [0,2,0,0,0,0|1,0,1]=4 148 B9R0.35 CCOC(=O)C(=O)[CH-]C#N 0090AP [0,2,0,0,0,0|0,0,2]=4 149 B9R0.35 CCOC(=O)C(C)CNC 8720AC [0,2,0,0,0,0|1,0,1]=4 150 B9R0.35 CN(CCO)C(=O)CCN 2182AD [0,2,0,0,0,0|2,0,0]=4 151 B9R0.35 CNCC(=O)N(C)CCO 1752AD [0,2,0,0,0,0|2,0,0]=4 152 B7R1.2 CN1CCC(=O)C1 B871 [1,0,0,1,0,0|1,0,1]=4 153 B7R1.2 C[C@@H]1COC(=O)O1 P610 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.2 NC1=CC(=O)CC1 2359AL [1,0,0,1,0,0|1,0,1]=4 155 B7R1.2 O=C1C=C(O)CC1 6113AE [1,0,0,1,0,0|1,0,1]=4 156 B7R1.2 O=C1CCC(I)C1 3588AC [1,0,0,1,0,0|1,0,1]=4 157 B7R1.2 O=C1CCC(O)N1 W1140 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.3 CC1=CCCNC1 V9748 [1,0,0,1,0,0|2,0,0]=4 159 B7R1.3 ClC1=CCCCC1 5746AC [1,0,0,1,0,0|1,0,0]=3 160 B7R1.3 O=C1C=CCCO1 X2978 [1,0,0,1,0,0|1,0,1]=4 161 B7R1.3 O=C1C=CCOC1 6867AC [1,0,0,1,0,0|1,0,1]=4 162 B7R1.3 O=C1NCCCO1 V6397 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.4 CC1CCNC1=O Y8455 [1,0,0,1,0,0|1,0,0]=3 164 B7R1.4 NC1CCNC1=O 0020AD [1,0,0,1,0,0|2,0,0]=4 165 B7R1.4 N[C@@H]1CCNC1=O X9462 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.4 N[C@H]1CCSC1=O S502 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.4 O=C1CCCC1Br X5623 [1,0,0,1,0,0|1,0,1]=4 168 B7R1.4 O=C1CCCC1Cl W7923 [1,0,0,1,0,0|1,0,1]=4 169 B7R1.4 O=C1OCC[C@H]1O 8329AB [1,0,0,1,0,0|2,0,0]=4 170 B7R1.19 CC(=O)C1(F)CC1 7062AE [1,0,0,1,0,0|1,0,1]=4 171 B9R1.21 CCC1=CC=C(CC)O1 Z5436 [0,0,0,1,0,1|2,0,0]=4 172 B9R1.69 CC1CCC(=O)CC1C 2294AL [0,0,0,1,0,1|1,0,1]=4 173 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [0,0,0,1,0,1|1,0,1]=4 174 B9R1.69 NC1CCC(=O)NC1=O 1594AB [0,0,0,1,0,1|1,0,0]=3 175 B9R1.69 N[C@H]1CCC(=O)NC1=O 9164AH [0,0,0,1,0,1|1,0,0]=3 176 B9R1.3 CC1NCCN(C)C1=O 9620AH [0,1,0,1,0,0|2,0,0]=4 177 B9R1.3 CN1CCCC(N)C1=O 2118AJ [0,1,0,1,0,0|2,0,0]=4 178 B9R1.15 CCC1COCCC1=O 2269AJ [0,1,0,1,0,0|0,0,2]=4 179 B9R1.15 CCN1CCNCC1=O Y9576 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.15 O=CC1=C(Cl)CCCC1 Z2040 [0,1,0,1,0,0|1,0,0]=3 181 B9R1.15 O=CC1CCCCC1=O 0719AD [0,1,0,1,0,0|0,0,1]=3 182 B9R1.73 CCOC(=O)C1CCN1 1941AC [0,1,0,1,0,0|1,0,1]=4 183 B9R1.73 CCOC(=O)C1CCN1 8256AA [0,1,0,1,0,0|1,0,1]=4 184 B9R1.73 CCOC(=O)[C@@H]1CCN1 2353AC [0,1,0,1,0,0|1,0,1]=4 185 B9R1.183 CCOC(=O)C1CC1C 0688AB [0,1,0,1,0,0|1,0,1]=4 186 B9R1.27 O=C1CCC(=O)N1CO 7166AB [0,1,0,1,0,0|2,0,0]=4 187 B9R2.39 O=C1CC2CCC1C2 B806 [0,0,0,2,0,0|1,0,1]=4 188 B9R2.109 O=C1CCCC2CC12 3165AL [0,0,0,2,0,0|1,0,1]=4 189 B9R0.24 CCC(=O)NNC(=O)CCl 2054AE [0,0,0,0,0,2|1,0,0]=3