0 B6R0.3 C#CC(O)C(=O)O 5648AL [0,0,0,0,0,0|1,0,3]=4 1 B6R0.3 C=C(CBr)C(=O)O 1795AL [0,0,0,0,0,0|1,0,2]=3 2 B6R0.3 CC(=O)C(=O)CCl 5581AE [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CC(CO)C(=O)O Z7389 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.3 CCC(C)C(C)=O U423 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,0,0,0,0,0|1,0,3]=4 6 B6R0.3 CCC(S)C(C)=O 9471AJ [0,0,0,0,0,0|2,0,2]=4 7 B6R0.3 CCN(C)C(=N)N 8784AC [0,0,0,0,0,0|3,0,1]=4 8 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,0,0,0,0,0|1,0,2]=3 9 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,0,0,0,0,0|1,0,2]=3 10 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.3 COC(C)C(C)O V6491 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.3 CON(C)C(=O)Cl 8593AL [0,0,0,0,0,0|3,0,0]=3 13 B6R0.3 CSC(C)C(=O)O 6148AE [0,0,0,0,0,0|1,0,1]=2 14 B6R0.3 CSC(C)C(C)=O 6125AL [0,0,0,0,0,0|2,0,1]=3 15 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,0,0,0,0,0|1,0,2]=3 16 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,0,0,0,0,0|1,0,2]=3 17 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,0,0,0,0,0|1,0,0]=1 18 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,0,0,0,0,0|0,0,0]=0 19 B6R0.3 NCC(N)C(=O)O 3293AL [0,0,0,0,0,0|2,0,2]=4 20 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,0,0,0,0,0|2,0,2]=4 21 B6R0.3 NNC(=O)C(N)=O 4727AE [0,0,0,0,0,0|4,0,0]=4 22 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [0,0,0,0,0,0|2,0,2]=4 23 B6R0.3 O=C(O)C(Cl)CO 0455AQ [0,0,0,0,0,0|2,0,2]=4 24 B6R0.3 O=C(O)C(O)CCl 2399AL [0,0,0,0,0,0|2,0,2]=4 25 B5R0.1 C=CCC(N)=O Y1568 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 CCC=C(C)C 7499AF [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CNCC(C)=O 4565AF [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CNOC(C)=O 8699AL [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 C\C=C\C(C)C 7501AF [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 NOCC(=O)O 2959AB [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 O=C(O)CCF 6350AB [1,0,0,0,0,0|1,0,2]=4 32 B5R0.1 O=C(O)\C=C/Br V3608 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.1 O=C(O)\C=C/I 9333AB [1,0,0,0,0,0|1,0,0]=2 34 B5R0.1 O=C(O)\C=C\I V7047 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.3 CCC(=O)CO X5132 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.3 CN[C@@H](C)CO X7940 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.3 C\C(C=O)=C/N 3293AB [1,0,0,0,0,0|1,0,0]=2 38 B5R0.3 C\C=C(/C)CC 0241AQ [1,0,0,0,0,0|1,0,1]=3 39 B5R0.3 C\C=C(/C)CC 9220AL [1,0,0,0,0,0|1,0,1]=3 40 B5R0.3 C\C=C(\C)CC 7440AL [1,0,0,0,0,0|1,0,1]=3 41 B5R0.5 C=C(C)B(O)O X6995 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.5 C=C(C)C(C)C 5230AL [1,0,0,0,0,0|2,0,1]=4 43 B5R0.5 C=C(F)C(=O)[O-] 0621AP [1,0,0,0,0,0|1,0,1]=3 44 B5R0.5 CC(=O)C(=O)[O-] 7017AF [1,0,0,0,0,0|1,0,1]=3 45 B5R0.5 CC(=O)C(C)F 0085AF [1,0,0,0,0,0|2,0,1]=4 46 B5R0.5 C[C@H](N)C(N)=O 7048AH [1,0,0,0,0,0|2,0,1]=4 47 B5R0.5 O=C(O)C(=O)O 7001AF [1,0,0,0,0,0|2,0,0]=3 48 B5R0.5 O=C(O)C(Cl)Br 8168AB [1,0,0,0,0,0|2,0,1]=4 49 B5R0.5 O=C(O)C(F)Br 8446AJ [1,0,0,0,0,0|2,0,1]=4 50 B5R0.5 O=C(O)C(F)Cl 4068AE [1,0,0,0,0,0|2,0,1]=4 51 B5R0.5 O=C([O-])C(=O)[O-] 6503AJ [1,0,0,0,0,0|2,0,1]=4 52 B7R0.5 C=CCC(N)C(=O)O 7090AA [0,1,0,0,0,0|1,0,2]=4 53 B7R0.5 CCCC(=O)C(=O)O 5775AL [0,1,0,0,0,0|1,0,1]=3 54 B7R0.5 CCNC(C)C(N)=O 7697AD [0,1,0,0,0,0|1,0,2]=4 55 B7R0.5 CCSC(C)C(=O)O 6924AD [0,1,0,0,0,0|0,0,2]=3 56 B7R0.5 COCC(Cl)C(=O)O 2065AB [0,1,0,0,0,0|1,0,2]=4 57 B7R0.5 CSC[C@H](N)C(=O)O 2067AC [0,1,0,0,0,0|1,0,2]=4 58 B7R0.5 NC(CCBr)C(=O)O 1883AC [0,1,0,0,0,0|1,0,2]=4 59 B7R0.5 NC(CCBr)C(=O)O E114 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.5 NCCC(N)C(=O)O W7673 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [0,1,0,0,0,0|1,0,2]=4 63 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [0,1,0,0,0,0|1,0,2]=4 64 B7R0.5 N[C@H](CCS)C(=O)O 8982AB [0,1,0,0,0,0|1,0,2]=4 65 B7R0.10 C=C(CCl)C(=O)OC X7009 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.10 CCC(C)C(=O)NN 8409AE [0,1,0,0,0,0|1,0,2]=4 67 B7R0.10 CC[C@@H](O)C(=O)OC 9868AL [0,1,0,0,0,0|1,0,2]=4 68 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [0,1,0,0,0,0|1,0,2]=4 69 B7R0.10 COC(=O)C(=O)NN 7238AE [0,1,0,0,0,0|3,0,0]=4 70 B7R0.10 COC(=O)C(Cl)C=O 7018AD [0,1,0,0,0,0|2,0,1]=4 71 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [0,1,0,0,0,0|1,0,2]=4 72 B7R0.10 COC(=O)[C@@H](C)CO X3276 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.10 COC(C)C(=O)NN 2016AF [0,1,0,0,0,0|2,0,1]=4 74 B7R0.10 C\C=C(/Br)C(=O)OC 3521AL [0,1,0,0,0,0|1,0,0]=2 75 B7R0.13 C#CC(C)(C)C(=O)O Z3525 [0,1,0,0,0,0|0,0,3]=4 76 B7R0.13 CC(C)(C#N)C(=O)O 1332AB [0,1,0,0,0,0|1,0,2]=4 77 B7R0.13 CC(C)(CN)C(=O)O 2121AJ [0,1,0,0,0,0|1,0,2]=4 78 B7R0.13 CCC(C)(N)C(=O)O V6829 [0,1,0,0,0,0|0,0,2]=3 79 B7R0.13 CNC(C)(C)C(=O)O 5084AH [0,1,0,0,0,0|1,0,1]=3 80 B7R0.15 CCC(OC)C(=O)O 8292AB [0,1,0,0,0,0|0,0,2]=3 81 B7R0.15 CN[C@H](CO)C(=O)O 0556AP [0,1,0,0,0,0|1,0,1]=3 82 B7R0.16 CC(=O)C(=O)C(C)Br Y2126 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.16 CC(=O)C(Br)C(C)=O 9608AD [0,1,0,0,0,0|2,0,1]=4 84 B7R0.16 CC(C(=O)O)N(C)C 5353AD [0,1,0,0,0,0|1,0,1]=3 85 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,1,0,0,0,0|1,0,2]=4 86 B7R0.16 O=C([O-])C(=O)C(=O)[O-] 1418AC [0,1,0,0,0,0|2,0,1]=4 87 B7R1.4 CC1=C(Br)C=CO1 2185AJ [0,0,0,1,0,0|2,0,1]=4 88 B7R1.4 CC1=C(Br)SN=C1 3135AJ [0,0,0,1,0,0|2,1,0]=4 89 B7R1.4 CC1=C(C)OC=N1 X5138 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.4 CC1=C(I)NN=C1 Y3268 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.4 CC1=CCOC1=O 7576AD [0,0,0,1,0,0|0,0,0]=1 92 B7R1.4 CC1=CNC=C1C 2295AL [0,0,0,1,0,0|3,0,0]=4 93 B7R1.4 CC1=CON=C1N 9062AA [0,0,0,1,0,0|3,0,0]=4 94 B7R1.4 CC1=CSC=C1N 1699AB [0,0,0,1,0,0|3,0,0]=4 95 B7R1.4 CC1C=NNC1=O 1336AQ [0,0,0,1,0,0|2,0,1]=4 96 B7R1.4 CC1CCNC1=O Y8455 [0,0,0,1,0,0|1,0,2]=4 97 B7R1.4 O=C1CCC=C1Br 8037AC [0,0,0,1,0,0|2,0,0]=3 98 B7R1.4 O=C1OCC[C@H]1O 8329AB [0,0,0,1,0,0|1,0,2]=4 99 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 8055AC [0,0,0,1,0,0|0,0,2]=3 100 B7R1.18 CC(=O)N1C=CC1 6529AA [0,0,0,1,0,0|2,0,1]=4 101 B7R1.18 NC(=O)C1CCC1 F371 [0,0,0,1,0,0|1,0,2]=4 102 B7R1.18 NC(=O)C1CCN1 Z9521 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.18 O=C(O)C1CCN1 0741AC [0,0,0,1,0,0|1,0,1]=3 104 B7R1.18 O=C(O)C1CCO1 3540AC [0,0,0,1,0,0|1,0,1]=3 105 B7R1.18 O=C(O)C1COC1 X3417 [0,0,0,1,0,0|1,0,2]=4 106 B7R1.19 CC(=O)C1(C)CO1 Y9156 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.19 CC1(C(N)=O)CC1 W3452 [0,0,0,1,0,0|1,0,2]=4 108 B7R1.19 O=C(O)C1(Br)CC1 4830AC [0,0,0,1,0,0|1,0,2]=4 109 B7R0.2 C=CC(C)CC(=O)O 9796AA [0,0,0,0,0,1|0,0,2]=3 110 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,0,0,0,0,1|1,0,2]=4 111 B7R0.2 CC(=O)\C=C(\C)O[Rh] 7419AJ [0,0,0,0,0,1|3,0,0]=4 112 B7R0.2 CC(=O)\C=C(\C)O[Rh] G765 [0,0,0,0,0,1|3,0,0]=4 113 B7R0.2 CC(=O)\C=C(\C)O[Rh] O524 [0,0,0,0,0,1|3,0,0]=4 114 B7R0.2 CCC(N)CC(=O)O W4035 [0,0,0,0,0,1|1,0,2]=4 115 B7R0.2 CCN(C)CC(C)=O 9608AC [0,0,0,0,0,1|2,0,1]=4 116 B7R0.2 CNC(=O)NC(C)=O 7251AF [0,0,0,0,0,1|3,0,0]=4 117 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,0,0,0,0,1|2,0,0]=3 118 B7R0.2 COC(C)CC(=O)O 0132AA [0,0,0,0,0,1|1,0,1]=3 119 B4R0.1 C=C=C(C)C 6086AL [2,0,0,0,0,0|1,0,1]=4 120 B4R0.1 CC(=O)NBr 6847AF [2,0,0,0,0,0|2,0,0]=4 121 B4R0.1 CCC(=O)Br C859 [2,0,0,0,0,0|1,0,1]=4 122 B4R0.1 CSC(C)=O 9061AJ [2,0,0,0,0,0|1,0,0]=3 123 B4R0.1 C\C(N)=N/O 5291AE [2,0,0,0,0,0|2,0,0]=4 124 B4R0.1 C\C=C(/C)Cl 5560AL [2,0,0,0,0,0|1,0,0]=3 125 B4R0.1 C\C=C(\C)Cl 4247AL [2,0,0,0,0,0|1,0,0]=3 126 B4R0.1 NCC(=O)O 7986AL [2,0,0,0,0,0|1,0,1]=4 127 B4R0.2 C\C=C/CC 7428AL [2,0,0,0,0,0|1,0,1]=4 128 B4R0.2 C\C=C\SC AMTGC066 [2,0,0,0,0,0|2,0,0]=4 129 B4R0.2 N\C=C/C=O 4699AJ [2,0,0,0,0,0|1,0,0]=3 130 B6R0.1 CC#CC(=O)OC X7106 [1,1,0,0,0,0|0,0,2]=4 131 B6R0.1 COC(=O)\C=C\N 1217AQ [1,1,0,0,0,0|1,0,0]=3 132 B6R0.1 COCC(=O)OC J70196 [1,1,0,0,0,0|1,0,1]=4 133 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [1,1,0,0,0,0|0,0,2]=4 134 B6R0.2 CC(=O)SC(C)=O 7216AF [1,1,0,0,0,0|2,0,0]=4 135 B6R0.2 C[C@H](Br)CC(=O)O V0016 [1,1,0,0,0,0|0,0,2]=4 136 B6R0.2 NC(=O)CC(=O)O 1571AB [1,1,0,0,0,0|1,0,1]=4 137 B6R0.4 C=C\C=C\C(=O)O Z4964 [1,1,0,0,0,0|0,0,1]=3 138 B6R0.4 CCNCC(=O)O X5133 [1,1,0,0,0,0|0,0,2]=4 139 B6R0.4 CNCCC(=O)O 5026AF [1,1,0,0,0,0|0,0,2]=4 140 B6R0.4 CSSCC(=O)O KMA0116 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.4 O=C(O)CCCS 7264AF [1,1,0,0,0,0|0,0,2]=4 142 B6R0.4 OB(O)\C=C\CCl 0985AB [1,1,0,0,0,0|1,0,1]=4 143 B6R0.7 CC(=O)C(C)(C)Br Y1567 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.7 CC(=O)C(C)(C)O X0229 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.7 CC(C)(Cl)C(=O)O 8852AB [1,1,0,0,0,0|0,0,1]=3 146 B6R0.7 CC(C)(N)C(N)=O 5432AJ [1,1,0,0,0,0|1,0,1]=4 147 B6R0.7 CC(C)(N)C(N)=O 5907AD [1,1,0,0,0,0|1,0,1]=4 148 B8R0.2 CCC(C)C(=O)C(=O)O 6099AL [0,1,0,0,0,1|0,0,2]=4 149 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O E693 [0,1,0,0,0,1|0,0,2]=4 150 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O 9212AJ [0,1,0,0,0,1|0,0,2]=4 151 B8R0.2 COC(=O)C(C)C(=O)O 2314AJ [0,1,0,0,0,1|2,0,0]=4 152 B8R0.23 CC(=O)C(C)CC(=O)O 7164AL [0,1,0,0,0,1|0,0,1]=3 153 B8R0.23 CC(=O)N(C)CC(=O)O 6236AE [0,1,0,0,0,1|1,0,0]=3 154 B8R0.23 CN(CC(=O)O)C(=N)N E234 [0,1,0,0,0,1|2,0,0]=4 155 B8R0.3 CNCC(C)C(=O)OC Z2743 [0,2,0,0,0,0|0,0,2]=4 156 B8R0.3 COC(=O)[C@H](C)NC=O 7006AH [0,2,0,0,0,0|1,0,1]=4 157 B8R0.8 C=CCSC(C)C(=O)O 5401AE [0,2,0,0,0,0|0,0,2]=4 158 B8R0.8 CCCNC(=O)C(=O)O 0106AF [0,2,0,0,0,0|1,0,1]=4 159 B8R0.12 C=CC[C@@](C)(N)C(=O)O Q366 [0,2,0,0,0,0|0,0,2]=4 160 B8R0.12 CCOC(C)(C)C(=O)O 7496AA [0,2,0,0,0,0|0,0,2]=4 161 B8R0.12 COCC(C)(C)C(=O)O 9837AB [0,2,0,0,0,0|0,0,2]=4 162 B8R0.15 CCCC(OC)C(=O)O 5382AE [0,2,0,0,0,0|0,0,2]=4 163 B8R0.15 CCC[C@@H](NC)C(=O)O 0554AP [0,2,0,0,0,0|0,0,2]=4 164 B8R0.36 CCC(C)(CC)C(=O)O 0222AB [0,2,0,0,0,0|0,0,2]=4 165 B8R0.36 CCC(N)(CC)C(=O)O V9173 [0,2,0,0,0,0|0,0,2]=4 166 B8R0.37 C=C(Cl)C(C)(C)C(=O)O 2396AL [0,2,0,0,0,0|0,0,2]=4 167 B8R0.37 CC(C)(C(N)=O)C(=O)O 9716AC [0,2,0,0,0,0|1,0,1]=4 168 B8R0.37 CC(C)C(C)(O)C(=O)O 4613AB [0,2,0,0,0,0|0,0,2]=4 169 B8R0.18 CC(=O)C(=CN)C(C)=O 7997AJ [0,2,0,0,0,0|1,0,1]=4 170 B8R0.18 CN[C@@H](C(=O)O)C(C)C Z5749 [0,2,0,0,0,0|0,0,2]=4 171 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O Z5815 [0,2,0,0,0,0|0,0,2]=4 172 B6R1.2 O=C1C=CCN1 V5771 [1,0,0,1,0,0|1,0,0]=3 173 B6R1.2 O=C1C=CCS1 1311AQ [1,0,0,1,0,0|0,1,0]=3 174 B6R1.10 O=S1(=O)C=CC1 8838AE [1,0,0,1,0,0|1,0,1]=4 175 B6R1.11 O=C(O)C1CN1 7766AB [1,0,0,1,0,0|1,0,1]=4 176 B6R1.6 ON=C1CCC1 3048AB [1,0,0,1,0,0|1,0,1]=4 177 B8R1.1 COC1=CC(=O)CC1 6398AB [0,0,0,1,0,1|2,0,0]=4 178 B8R1.4 CC1=CC(=O)NN=C1 X7047 [0,0,0,1,0,1|2,0,0]=4 179 B8R1.4 CC1=CN=NC(=O)C1 5887AH [0,0,0,1,0,1|2,0,0]=4 180 B8R1.18 CC1=C(C)NC(Cl)=N1 8068AC [0,0,0,1,0,1|2,0,0]=4 181 B8R1.18 CC1=C(C)NC(N)=N1 6648AA [0,0,0,1,0,1|2,0,0]=4 182 B8R1.18 CC1=C(C)OC(S)=N1 V7193 [0,0,0,1,0,1|0,1,0]=3 183 B8R1.18 CC1=CC(S)=C(C)O1 U424 [0,0,0,1,0,1|2,0,0]=4 184 B8R1.18 CC1=NC(C)=C(Br)O1 3116AJ [0,0,0,1,0,1|2,0,0]=4 185 B8R1.34 O=C(O)C=C1CCC1 1680AJ [0,0,0,1,0,1|0,0,1]=3 186 B8R1.51 CC1=CCS(=O)(=O)C1 X3400 [0,0,0,1,0,1|1,0,1]=4 187 B8R1.5 CC1=CC=CC=C1O Z3651 [0,1,0,1,0,0|1,0,1]=4 188 B8R1.5 CC1CCCOC1=O 3885AL [0,1,0,1,0,0|0,0,2]=4 189 B8R1.5 O=C1CCCC=C1Br V6293 [0,1,0,1,0,0|2,0,0]=4 190 B8R1.5 O=C1OC=CC=C1O W6519 [0,1,0,1,0,0|1,0,1]=4 191 B8R1.7 O=C(O)C1=CON=C1 V2366 [0,1,0,1,0,0|1,0,1]=4 192 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [0,1,0,1,0,0|1,0,1]=4 193 B8R1.7 O=C(O)C1=NOC=N1 0830AF [0,1,0,1,0,0|2,0,0]=4 194 B8R1.7 O=C(O)C1=NON=C1 W9121 [0,1,0,1,0,0|2,0,0]=4 195 B8R1.7 O=C(O)C1=NSC=C1 6302AB [0,1,0,1,0,0|1,0,1]=4 196 B8R1.7 O=C(O)C1=NSN=C1 4605AH [0,1,0,1,0,0|2,0,0]=4 197 B8R1.7 O=C(O)C1C=CCN1 0852AE [0,1,0,1,0,0|0,0,2]=4 198 B8R1.7 O=C(O)C1C=CCO1 1916AL [0,1,0,1,0,0|0,0,2]=4 199 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [0,1,0,1,0,0|0,0,2]=4 200 B8R1.7 O=C(O)[C@H]1CCOC1 Z1983 [0,1,0,1,0,0|0,0,2]=4 201 B8R1.23 NC1CC(C(=O)O)C1 2935AC [0,1,0,1,0,0|0,0,2]=4 202 B8R1.23 NC1CC(C(=O)O)C1 3481AA [0,1,0,1,0,0|0,0,2]=4 203 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 W8206 [0,1,0,1,0,0|0,0,2]=4 204 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 2936AC [0,1,0,1,0,0|0,0,2]=4 205 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 W8205 [0,1,0,1,0,0|0,0,2]=4 206 B8R1.23 O=C(O)C1CC(Cl)C1 4357AB [0,1,0,1,0,0|0,0,2]=4 207 B8R1.23 O=C(O)C1CC(F)C1 2538AD [0,1,0,1,0,0|0,0,2]=4 208 B8R1.23 O=C1CC(C(=O)O)N1 Y4879 [0,1,0,1,0,0|1,0,1]=4 209 B8R1.23 O=C1C[C@@H](C(=O)O)N1 1251AL [0,1,0,1,0,0|1,0,1]=4 210 B8R1.54 O=C(O)C(=O)C1CC1 Z4141 [0,1,0,1,0,0|1,0,1]=4 211 B8R1.11 CC1=C(C=O)OC=C1 Y8751 [0,1,0,1,0,0|0,0,1]=3 212 B8R1.11 CC1=C(C=O)OC=N1 5034AD [0,1,0,1,0,0|1,0,1]=4 213 B8R1.11 CC1=C(C=O)SN=C1 4154AC [0,1,0,1,0,0|1,1,0]=4 214 B8R1.11 CC1=C(CN)C=CO1 8523AH [0,1,0,1,0,0|1,0,1]=4 215 B8R1.11 CC1=C(CO)OC=C1 6906AD [0,1,0,1,0,0|0,0,2]=4 216 B8R1.11 CC1=C(CO)SC=C1 W7564 [0,1,0,1,0,0|0,1,1]=4 217 B8R1.38 COC(=O)C1CCN1 3825AJ [0,1,0,1,0,0|1,0,1]=4 218 B8R1.38 COC(=O)C1CCN1 6194AA [0,1,0,1,0,0|1,0,1]=4 219 B8R1.39 COC(=O)C1(C)CC1 6825AE [0,1,0,1,0,0|0,0,2]=4 220 B8R1.39 COC(=O)C1(C)CO1 1431AQ [0,1,0,1,0,0|1,0,1]=4 221 B8R1.50 CC1=C(Br)C(=O)CC1 1360AQ [0,1,0,1,0,0|1,0,1]=4 222 B8R1.50 CC1=C(C)C(=O)NC1 2679AE [0,1,0,1,0,0|1,0,0]=3 223 B8R1.50 CC1=NNC(C)=C1C 5490AE [0,1,0,1,0,0|2,0,0]=4 224 B8R1.50 CC1=NOC(=O)C1C W3412 [0,1,0,1,0,0|0,0,1]=3 225 B8R1.50 CC1=NOC(C)=C1Cl 8232AC [0,1,0,1,0,0|2,0,0]=4 226 B8R1.50 CC1=NOC(N)=C1Cl X6146 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.50 CN1C(=O)CNC1=O 0568AC [0,1,0,1,0,0|2,0,0]=4 228 B8R1.50 CN1C(=O)COC1=O 4361AD [0,1,0,1,0,0|1,0,0]=3 229 B8R1.50 O=C1OCC(Cl)=C1Cl 0792AQ [0,1,0,1,0,0|1,0,0]=3 230 B8R1.63 CCC1(C(=O)O)CC1 9835AH [0,1,0,1,0,0|0,0,2]=4 231 B8R1.63 NCC1(C(=O)O)CC1 4114AD [0,1,0,1,0,0|0,0,2]=4 232 B8R0.9 CCC(=O)CCC(=O)O 8820AC [0,0,0,0,0,2|1,0,1]=4 233 B8R0.9 COC(=O)\C=C/C(=O)O F587 [0,0,0,0,0,2|2,0,0]=4