0 B7R0.6 C=C(C)CCC(=C)C 7929AF [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 C=C(C)CCC(C)C 5371AL [0,0,0,0,0,0|2,0,2]=4 2 B7R0.6 C=C(Cl)CSC(C)=O 8348AD [0,0,0,0,0,0|4,0,0]=4 3 B7R0.6 CC(=O)CCN(C)C 8474AD [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 CC(=O)NN=C(C)C 3890AH [0,0,0,0,0,0|3,0,0]=3 5 B7R0.6 CC(=O)NNC(C)C 6165AB [0,0,0,0,0,0|3,0,1]=4 6 B7R0.6 CC(=O)SCC(=O)O Y7206 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.6 CC(=O)\C=C\C(C)C 6802AL [0,0,0,0,0,0|1,0,2]=3 8 B7R0.6 CC(C)\C=C\[N+](=O)[O-] 2447AL [0,0,0,0,0,0|1,0,3]=4 9 B7R0.6 CN(C)\C=N\C(N)=S 0304AF [0,0,0,0,0,0|3,1,0]=4 10 B7R0.6 N=C(N)NCC(=O)O 4588AD [0,0,0,0,0,0|3,0,0]=3 11 B6R0.4 C=CCCC(=C)C 5696AL [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 C=CCCC(C)C 6791AL [1,0,0,0,0,0|1,0,2]=4 13 B6R0.4 CCCC=C(C)C 5704AL [1,0,0,0,0,0|1,0,1]=3 14 B6R0.4 CCCCC(=O)Br 7391AF [1,0,0,0,0,0|1,0,2]=4 15 B6R0.4 CC\C=C\C(=O)O 6805AA [1,0,0,0,0,0|0,0,2]=3 16 B6R0.4 CSCCC(=O)Cl 6126AL [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 C\C=C\CC(C)C 6798AL [1,0,0,0,0,0|2,0,1]=4 18 B8R0.9 CC(C)OCC(=O)NN 2431AF [0,1,0,0,0,0|2,0,1]=4 19 B8R0.9 CCC(=O)CCC(C)=O 8738AA [0,1,0,0,0,0|2,0,1]=4 20 B8R0.9 CCC(=O)CCC(C)C 7962AF [0,1,0,0,0,0|1,0,2]=4 21 B8R0.9 CCC(=O)COC(C)=O X5648 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.9 CCC(=O)NCC(=O)O 7387AD [0,1,0,0,0,0|2,0,0]=3 23 B8R0.9 CN(C)CCC(=O)NN 7730AD [0,1,0,0,0,0|2,0,1]=4 24 B8R0.9 CNC(=O)CCC(=O)O 5678AE [0,1,0,0,0,0|1,0,1]=3 25 B8R0.9 COC(=O)\C=C\C(C)=O 7011AL [0,1,0,0,0,0|1,0,1]=3 26 B8R0.9 C\C(CCC(C)C)=N/O 6797AL [0,1,0,0,0,0|1,0,2]=4 27 B8R0.9 C\C(CCl)=N/NC(N)=O 7650AB [0,1,0,0,0,0|3,0,0]=4 28 B8R0.23 C=C(C)C[C@H](N)C(=O)O 7037AH [0,1,0,0,0,0|0,0,2]=3 29 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [0,1,0,0,0,0|1,0,2]=4 30 B8R0.23 CC(=O)CC(C)C(=O)O 7660AE [0,1,0,0,0,0|1,0,1]=3 31 B8R0.23 CC(=O)N(C)CC(=O)O 6236AE [0,1,0,0,0,0|2,0,0]=3 32 B8R0.23 CC(C)[C@@H](N)CC(=O)O 0469AP [0,1,0,0,0,0|0,0,2]=3 33 B8R0.23 CC(C)[C@@H](N)CC(=O)O Z5862 [0,1,0,0,0,0|0,0,2]=3 34 B8R0.23 CC(C)[C@H](N)CC(=O)O Z5766 [0,1,0,0,0,0|0,0,2]=3 35 B8R0.23 CN(CC(=O)O)C(N)=O 9654AD [0,1,0,0,0,0|3,0,0]=4 36 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 9975AA [0,1,0,0,0,0|1,0,2]=4 37 B8R0.23 C[C@H](CC(=O)O)C(=O)O 9223AJ [0,1,0,0,0,0|2,0,1]=4 38 B8R0.23 NC(=O)[C@@H](N)CC(=O)O 6580AH [0,1,0,0,0,0|2,0,1]=4 39 B8R0.29 CC(C)(C)CCC(=O)O 8824AC [0,1,0,0,0,0|0,0,2]=3 40 B8R0.29 CC(C)(N)CCC(=O)O 0201AE [0,1,0,0,0,0|0,0,2]=3 41 B8R1.3 CC1CCC(=O)NC1 3753AB [0,0,0,1,0,0|1,0,2]=4 42 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,0,0,1,0,0|2,0,1]=4 43 B8R1.3 O=C1CCC(=O)NC1 7306AB [0,0,0,1,0,0|2,0,1]=4 44 B8R1.23 CC1CC(C(=O)O)C1 3997AC [0,0,0,1,0,0|0,0,2]=3 45 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 3996AC [0,0,0,1,0,0|0,0,2]=3 46 B8R1.23 NC1CC(C(=O)O)C1 2935AC [0,0,0,1,0,0|1,0,2]=4 47 B8R1.23 NC1CC(C(=O)O)C1 3481AA [0,0,0,1,0,0|1,0,2]=4 48 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 W8206 [0,0,0,1,0,0|1,0,2]=4 49 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 2936AC [0,0,0,1,0,0|1,0,2]=4 50 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 W8205 [0,0,0,1,0,0|1,0,2]=4 51 B8R1.35 O=C(O)C#CC1CC1 0479AQ [0,0,0,1,0,0|0,0,3]=4 52 B8R1.51 CC1(C)CC(=O)CS1 3715AB [0,0,0,1,0,0|2,0,1]=4 53 B8R1.51 CC1(C)CCC(=O)C1 V4062 [0,0,0,1,0,0|1,0,2]=4 54 B8R1.51 CC1(C)CNC(=O)O1 2855AL [0,0,0,1,0,0|1,0,2]=4 55 B8R1.51 CC1(C)OCC(=O)O1 5725AB [0,0,0,1,0,0|1,0,1]=3 56 B8R1.77 CC1(C)CC1C(N)=O 5881AD [0,0,0,1,0,0|1,0,2]=4 57 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [0,0,0,0,1,0|1,0,1]=3 58 B6R0.2 CC(=O)SC(C)=O 7216AF [0,0,0,0,1,0|3,0,0]=4 59 B6R0.2 CC(C)=CB(O)O X0525 [0,0,0,0,1,0|1,0,1]=3 60 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,0,0,0,1,0|1,0,1]=3 61 B6R0.2 CN(C)NC(N)=O 4373AL [0,0,0,0,1,0|3,0,0]=4 62 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,0,0,0,1,0|1,0,1]=3 63 B6R0.2 NC(=O)CC(=O)O 1571AB [0,0,0,0,1,0|2,0,0]=3 64 B8R0.28 CC(=O)CCCN(C)C Y9101 [0,0,0,0,0,1|2,0,1]=4 65 B8R0.28 CC(=O)CCOC(C)C 6552AL [0,0,0,0,0,1|1,0,2]=4 66 B8R0.28 CC(C)CCOC(=O)Cl 6828AJ [0,0,0,0,0,1|1,0,2]=4 67 B8R0.28 CC(C)NCCC(N)=O 6779AD [0,0,0,0,0,1|1,0,2]=4 68 B8R0.28 CN(C)C\C=C\C(=O)O 1119AQ [0,0,0,0,0,1|1,0,1]=3 69 B8R0.28 NC(=O)CCCC(=O)O 8447AD [0,0,0,0,0,1|2,0,1]=4 70 B8R0.28 NC(=O)COCC(=O)O 7538AD [0,0,0,0,0,1|2,0,1]=4 71 B5R0.1 C=CCC(=C)C 5694AL [2,0,0,0,0,0|1,0,1]=4 72 B5R0.1 C=CCC(C)C 6595AL [2,0,0,0,0,0|1,0,1]=4 73 B5R0.1 C=CCC(C)O 7318AF [2,0,0,0,0,0|1,0,1]=4 74 B5R0.1 C=CCC(N)=O Y1568 [2,0,0,0,0,0|1,0,0]=3 75 B5R0.1 CC(C)=CCCl 7671AJ [2,0,0,0,0,0|1,0,0]=3 76 B5R0.1 CCC=C(C)C 7499AF [2,0,0,0,0,0|0,0,1]=3 77 B5R0.1 CNCC(C)=O 4565AF [2,0,0,0,0,0|2,0,0]=4 78 B5R0.1 C\C(Cl)=C\CN 9653AD [2,0,0,0,0,0|2,0,0]=4 79 B5R0.1 C\C(Cl)=C\CO X6578 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.1 C\C=C\B(O)O X4905 [2,0,0,0,0,0|1,0,1]=4 81 B5R0.1 C\C=C\C(C)C 7501AF [2,0,0,0,0,0|1,0,1]=4 82 B5R0.1 C\C=C\C(N)=O 7909AD [2,0,0,0,0,0|1,0,0]=3 83 B5R0.1 O=C(O)CCF 6350AB [2,0,0,0,0,0|1,0,1]=4 84 B5R0.1 O=C(O)\C=C/Br V3608 [2,0,0,0,0,0|1,0,0]=3 85 B5R0.1 O=C(O)\C=C/I 9333AB [2,0,0,0,0,0|1,0,0]=3 86 B5R0.1 O=C(O)\C=C\I V7047 [2,0,0,0,0,0|1,0,0]=3 87 B5R0.2 C=CC\C=C/C 0307AQ [2,0,0,0,0,0|1,0,0]=3 88 B7R0.2 C=CC(C)CC(=O)O 9796AA [1,1,0,0,0,0|0,0,2]=4 89 B7R0.2 CCC(N)CC(=O)O 2363AL [1,1,0,0,0,0|0,0,2]=4 90 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [1,1,0,0,0,0|0,0,2]=4 91 B7R0.2 CC[C@H](N)CC(=O)O 9250AJ [1,1,0,0,0,0|0,0,2]=4 92 B7R0.2 CN(C)C=C(Br)C=O 0627AQ [1,1,0,0,0,0|1,0,1]=4 93 B7R0.2 CN(C)C=C(I)C=O 1090AQ [1,1,0,0,0,0|1,0,1]=4 94 B7R0.2 CNC(=O)CC(=O)O 3048AE [1,1,0,0,0,0|1,0,0]=3 95 B7R0.2 COC(C)CC(=O)O 0132AA [1,1,0,0,0,0|1,0,1]=4 96 B7R0.3 C=CCCC(=O)OC 0026AQ [1,1,0,0,0,0|0,0,2]=4 97 B7R0.3 CCC\C=C(/C)CC 6104AL [1,1,0,0,0,0|1,0,1]=4 98 B7R0.3 CCNCC(=O)OC 2143AA [1,1,0,0,0,0|1,0,1]=4 99 B7R0.3 CCNCC(=O)OC 2988AC [1,1,0,0,0,0|1,0,1]=4 100 B7R0.3 CNCCC(=O)OC 1857AB [1,1,0,0,0,0|1,0,1]=4 101 B7R0.3 CNCCC(=O)OC X3419 [1,1,0,0,0,0|1,0,1]=4 102 B7R0.3 COC(=O)CCC=O W3030 [1,1,0,0,0,0|1,0,1]=4 103 B7R0.3 CO\C=C\C(=O)OC W5649 [1,1,0,0,0,0|1,0,1]=4 104 B7R0.3 C\C=C\CC(=O)OC 9761AJ [1,1,0,0,0,0|0,0,0]=2 105 B7R0.4 C=CCSCC(=O)O 6981AD [1,1,0,0,0,0|0,0,2]=4 106 B7R0.4 CC(C)=C=CCCO 0509AQ [1,1,0,0,0,0|0,0,1]=3 107 B7R0.4 CCSCCC(=O)O 8721AE [1,1,0,0,0,0|0,0,2]=4 108 B7R0.4 C\C=C\C=C\C(=O)Cl Y2082 [1,1,0,0,0,0|1,0,1]=4 109 B7R0.5 C=CCC(N)C(=O)O 7090AA [1,1,0,0,0,0|0,0,2]=4 110 B7R0.5 CCC[C@H](O)C(=O)O Z6053 [1,1,0,0,0,0|0,0,2]=4 111 B7R0.5 CCSC(C)C(=O)O 6924AD [1,1,0,0,0,0|1,0,1]=4 112 B7R0.5 COCC(Cl)C(=O)O 2065AB [1,1,0,0,0,0|1,0,1]=4 113 B7R0.5 C[C@H](NC=O)C(=O)O 7555AH [1,1,0,0,0,0|2,0,0]=4 114 B7R0.9 CC(=O)CC(C)(C)N 7542AF [0,1,0,0,1,0|1,0,1]=4 115 B7R0.9 CC(C)(N)CC(=O)O W7151 [0,1,0,0,1,0|0,0,1]=3 116 B7R0.16 CC(=O)C(Br)C(C)=O 9608AD [0,1,0,0,1,0|2,0,0]=4 117 B7R0.16 CC(C(=O)O)N(C)C 5353AD [0,1,0,0,1,0|1,0,0]=3 118 B7R0.16 CC(C)=C(C)B(O)O X2548 [0,1,0,0,1,0|1,0,1]=4 119 B7R0.16 CC(C)C(=O)C(=O)[O-] 4739AB [0,1,0,0,1,0|0,0,2]=4 120 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,1,0,0,1,0|0,0,1]=3 121 B9R0.1 COC(=O)CCNC(C)=O 3347AB [0,1,0,0,0,1|1,0,1]=4 122 B9R0.1 COC(=O)\C=C\CC(C)C 9254AE [0,1,0,0,0,1|0,0,2]=4 123 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O 7119AH [0,1,0,0,0,1|1,0,1]=4 124 B9R0.7 CC(C)C(=O)NCC(=O)O 8005AA [0,1,0,0,0,1|0,0,1]=3 125 B9R0.7 CC(C)CC[C@H](N)C(=O)O 7177AH [0,1,0,0,0,1|0,0,2]=4 126 B9R0.7 CC(C)N(C)CCC(=O)O 8219AD [0,1,0,0,0,1|0,0,2]=4 127 B9R0.7 CN(C)C(=O)NCC(=O)O 8291AC [0,1,0,0,0,1|1,0,0]=3 128 B9R0.7 C[S+](C)CCC(N)C(=O)O 7555AF [0,1,0,0,0,1|1,0,1]=4 129 B9R0.7 O=C(O)CCC(F)=C(F)F 8684AC [0,1,0,0,0,1|2,0,0]=4 130 B9R0.53 CC(=O)NC(C)CC(=O)O 4009AD [0,1,0,0,0,1|1,0,1]=4 131 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 5270AC [0,1,0,0,0,1|0,0,2]=4 132 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 5354AA [0,1,0,0,0,1|0,0,2]=4 133 B9R0.23 CCC(=O)N(C)CC(=O)O 3841AE [0,2,0,0,0,0|2,0,0]=4 134 B9R0.23 CCC(C)C(N)CC(=O)O 2728AE [0,2,0,0,0,0|0,0,2]=4 135 B9R0.23 CN(CC(=O)O)C(=O)CCl 7465AE [0,2,0,0,0,0|2,0,0]=4 136 B9R0.23 COC(=O)[C@H](N)CC(=O)O 5515AA [0,2,0,0,0,0|1,0,1]=4 137 B9R0.42 CCC(=O)NC(C)C(=O)O 5709AE [0,2,0,0,0,0|2,0,0]=4 138 B9R0.42 CCN(C)CC(C)C(=O)O 0859AF [0,2,0,0,0,0|1,0,1]=4 139 B9R0.10 CC(=O)CC(=O)C(C)(C)C 1341AC [0,2,0,0,0,0|1,0,1]=4 140 B9R0.10 CC(C)(C)C(N)CC(=O)O 0472AB [0,2,0,0,0,0|0,0,2]=4 141 B9R0.11 CC(=O)NC(C)(C)C(=O)O 5143AE [0,2,0,0,0,0|2,0,0]=4 142 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O 0594AP [0,2,0,0,0,0|0,0,2]=4 143 B9R0.39 CC(C)CC(CN)C(=O)O 1792AL [0,2,0,0,0,0|0,0,2]=4 144 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 0447AB [0,2,0,0,0,0|0,0,2]=4 145 B9R0.39 CC(C)C[C@H](CN)C(=O)O 0749AB [0,2,0,0,0,0|0,0,2]=4 146 B9R0.39 CC(C)C[C@H](CN)C(=O)O 5990AA [0,2,0,0,0,0|0,0,2]=4 147 B9R0.57 CC(C)(C)CC(N)C(=O)O X5326 [0,2,0,0,0,0|0,0,2]=4 148 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O Z3806 [0,2,0,0,0,0|0,0,2]=4 149 B7R1.2 CC1=NOC(=O)C1 0252AQ [1,0,0,1,0,0|2,0,0]=4 150 B7R1.2 O=C1CNC(=O)C1 X3858 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.3 CC1=CCC=CC1 7751AF [1,0,0,1,0,0|1,0,0]=3 152 B7R1.18 CC(=O)N1C=CC1 6529AA [1,0,0,1,0,0|2,0,0]=4 153 B7R1.18 O=C(O)C1CCN1 0741AC [1,0,0,1,0,0|1,0,1]=4 154 B7R1.18 O=C(O)C1CCO1 3540AC [1,0,0,1,0,0|1,0,1]=4 155 B9R1.35 CC1=CC(C(=O)O)=CN1 X8465 [0,0,0,1,0,1|0,0,2]=4 156 B9R1.35 CC1=CC=C(C(=O)O)N1 4808AB [0,0,0,1,0,1|1,0,1]=4 157 B9R1.35 CC1=CN=C(C(=O)O)O1 X6429 [0,0,0,1,0,1|1,0,1]=4 158 B9R1.35 CC1=CNC(C(=O)O)=C1 V0508 [0,0,0,1,0,1|0,0,2]=4 159 B9R1.35 CC1=CNC(C(=O)O)=N1 Y9876 [0,0,0,1,0,1|1,0,1]=4 160 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [0,0,0,1,0,1|1,0,1]=4 161 B9R1.35 CN1CC[C@H](C(=O)O)C1 6382AC [0,0,0,1,0,1|1,0,1]=4 162 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 Y6706 [0,0,0,1,0,1|1,0,1]=4 163 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 0632AA [0,0,0,1,0,1|1,0,1]=4 164 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Y8727 [0,0,0,1,0,1|1,0,1]=4 165 B9R1.35 O=C1CC[C@H](C(=O)O)C1 V2781 [0,0,0,1,0,1|1,0,1]=4 166 B9R1.35 O=C1CNC(C(=O)O)C1 0294AB [0,0,0,1,0,1|1,0,1]=4 167 B9R1.95 COC1CC(C(=O)O)C1 6586AB [0,1,0,1,0,0|0,0,2]=4 168 B9R1.137 CC(=CC(=O)O)C1CC1 Y5784 [0,1,0,1,0,0|0,0,2]=4 169 B9R2.143 O=C(O)C1CC12CC2 8844AA [0,0,0,2,0,0|0,0,2]=4 170 B5R0.5 CC(=O)C(=O)[O-] 7017AF [0,0,0,0,2,0|1,0,1]=4 171 B5R0.5 CC(=O)C(=O)[O-] 7018AF [0,0,0,0,2,0|1,0,1]=4 172 B5R0.5 CC(O)C(=O)O Y1768 [0,0,0,0,2,0|1,0,1]=4 173 B5R0.5 O=C(O)C(=O)O 7001AF [0,0,0,0,2,0|2,0,0]=4 174 B9R0.55 CN(C)CCCCC(=O)O V8850 [0,0,0,0,0,2|1,0,1]=4