0 B6R0.4 C=CCCC(C)C 6791AL [0,0,0,0,0,0|1,0,2]=3 1 B6R0.4 CC(C)CCCCl 6814AE [0,0,0,0,0,0|1,0,3]=4 2 B6R0.4 CC(C)NCC#N Y7768 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 CC(C)NCCCl 9576AB [0,0,0,0,0,0|2,0,2]=4 4 B6R0.4 CC(C)SCCCl 3252AE [0,0,0,0,0,0|2,0,2]=4 5 B6R0.4 CCCC=C(C)C 5704AL [0,0,0,0,0,0|1,0,3]=4 6 B6R0.4 CCCCC(C)C 5734AL [0,0,0,0,0,0|1,0,3]=4 7 B6R0.4 C\C=C\CC(C)C 6798AL [0,0,0,0,0,0|1,0,1]=2 8 B5R0.1 C=CCC(=C)C 5694AL [1,0,0,0,0,0|0,0,3]=4 9 B5R0.1 C=CCC(C)C 6595AL [1,0,0,0,0,0|0,0,1]=2 10 B5R0.1 C=CCC(C)O 7318AF [1,0,0,0,0,0|1,0,1]=3 11 B5R0.1 C=COC(C)C 3476AL [1,0,0,0,0,0|1,0,0]=2 12 B5R0.1 CC#CC(C)C 6601AL [1,0,0,0,0,0|0,0,3]=4 13 B5R0.1 CC(C)=CCCl 7671AJ [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 CC(C)CCCl 7326AF [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 CCC=C(C)C 7499AF [1,0,0,0,0,0|0,0,3]=4 16 B5R0.1 CCOC(C)C 7879AL [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 CCSC(C)C 7880AL [1,0,0,0,0,0|1,0,2]=4 18 B5R0.1 CNCC(C)C 8603AL [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 C\C=C\C(C)C 7501AF [1,0,0,0,0,0|0,0,1]=2 20 B5R0.2 C=CCOCC 5601AE [1,0,0,0,0,0|2,0,1]=4 21 B5R0.2 C=CC\C=C/C 0307AQ [1,0,0,0,0,0|1,0,2]=4 22 B5R0.2 CCC\C=N\O 7272AF [1,0,0,0,0,0|1,0,2]=4 23 B5R0.2 CC\C=C\C#N 5776AL [1,0,0,0,0,0|1,0,1]=3 24 B5R0.2 NC\C=C/CCl 3552AH [1,0,0,0,0,0|2,0,1]=4 25 B5R0.2 NC\C=C/CN Z2171 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.2 CC(C)NC(=S)NN 3860AD [0,1,0,0,0,0|3,0,0]=4 27 B7R0.2 CN(C)C=C(Br)C=O 0627AQ [0,1,0,0,0,0|1,0,0]=2 28 B7R0.2 CN(C)C=C(I)C=O 1090AQ [0,1,0,0,0,0|1,0,0]=2 29 B7R0.4 CC(C)CCN=C=O 5158AD [0,1,0,0,0,0|0,0,3]=4 30 B7R0.5 CCCC(=O)C(C)C 5712AL [0,1,0,0,0,0|1,0,2]=4 31 B7R0.5 CCOC(=N)C(C)C 8345AC [0,1,0,0,0,0|2,0,1]=4 32 B7R0.6 C=C(C)CCC(C)C 5371AL [0,1,0,0,0,0|1,0,2]=4 33 B7R0.6 CC(=O)CCN(C)C 8474AD [0,1,0,0,0,0|1,0,2]=4 34 B7R0.6 CC(=O)NN=C(C)C 3890AH [0,1,0,0,0,0|2,0,1]=4 35 B7R0.6 CC(=O)NNC(C)C 6165AB [0,1,0,0,0,0|2,0,0]=3 36 B7R0.6 CC(=O)\C=C\C(C)C 6802AL [0,1,0,0,0,0|0,0,0]=1 37 B7R0.6 CC(C)\C=C\[N+](=O)[O-] 2447AL [0,1,0,0,0,0|1,0,0]=2 38 B7R0.6 CN(C)\C=N\C(N)=S 0304AF [0,1,0,0,0,0|2,1,0]=4 39 B7R0.8 C[Si](C)(C)\C=C\CO X7191 [0,1,0,0,0,0|0,1,2]=4 40 B7R1.2 CC1=CC=C(Cl)S1 8881AA [0,0,0,1,0,0|2,0,1]=4 41 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,0,0,1,0,0|2,0,1]=4 42 B7R1.2 CC1CNC(=O)C1 X7991 [0,0,0,1,0,0|1,0,1]=3 43 B7R1.2 CC1CNC(=O)O1 8398AC [0,0,0,1,0,0|2,0,1]=4 44 B7R1.2 CN1C=CC(Cl)=N1 9664AB [0,0,0,1,0,0|3,0,0]=4 45 B7R1.2 CN1C=CC(N)=N1 0807AQ [0,0,0,1,0,0|3,0,0]=4 46 B7R1.2 NC1CNC(=O)C1 9509AL [0,0,0,1,0,0|2,0,1]=4 47 B7R1.2 O=C1CCC(I)C1 3588AC [0,0,0,1,0,0|1,0,2]=4 48 B7R1.2 O[C@@H]1C=C[C@H](O)C1 3216AL [0,0,0,1,0,0|1,0,2]=4 49 B7R1.3 CC1=CC=CN=N1 X0232 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.3 CC1=CCC=CC1 7751AF [0,0,0,1,0,0|1,0,2]=4 51 B7R1.3 CC1C=CCCC1 6090AL [0,0,0,1,0,0|1,0,1]=3 52 B7R1.3 C[N+]1=CC=CC=C1 1581AB [0,0,0,1,0,0|2,0,1]=4 53 B7R1.3 NC1CC=CCC1 3966AJ [0,0,0,1,0,0|2,0,1]=4 54 B7R1.7 CO\C=C\C1CC1 8518AH [0,0,0,1,0,0|2,0,0]=3 55 B7R1.14 CC1(C)COC=N1 6315AL [0,0,0,1,0,0|2,0,1]=4 56 B4R0.1 C=C=C(C)C 6086AL [2,0,0,0,0,0|0,0,2]=4 57 B4R0.1 C=CC(C)C 7308AF [2,0,0,0,0,0|0,0,0]=2 58 B4R0.1 C=NN(C)C 7943AL [2,0,0,0,0,0|2,0,0]=4 59 B4R0.1 CSC(C)C 8107AL [2,0,0,0,0,0|1,0,1]=4 60 B4R0.2 C=C=CCO 0432AQ [2,0,0,0,0,0|1,0,1]=4 61 B4R0.2 CCC=NO 0148AQ [2,0,0,0,0,0|1,0,1]=4 62 B4R0.2 C\C=C/CC 7428AL [2,0,0,0,0,0|0,0,1]=3 63 B4R0.2 Cl\C=C/CCl 7411AL [2,0,0,0,0,0|2,0,0]=4 64 B4R0.2 N\C=C/C=O 4699AJ [2,0,0,0,0,0|1,0,0]=3 65 B6R0.2 CN(C)CC(=O)[O-] 9593AA [1,1,0,0,0,0|1,0,1]=4 66 B6R0.2 CN(C)NC(N)=O 4373AL [1,1,0,0,0,0|2,0,0]=4 67 B6R0.2 C[C@H](Br)CC(=O)O V0016 [1,1,0,0,0,0|1,0,1]=4 68 B6R0.5 C=CCC(C)(C)C 6312AL [1,1,0,0,0,0|0,0,1]=3 69 B6R0.5 C=COC(C)(C)C 9102AJ [1,1,0,0,0,0|1,0,0]=3 70 B6R0.6 CC=C=CCCO 1076AQ [1,1,0,0,0,0|1,0,1]=4 71 B6R0.6 CCC\C=C/CO 7423AL [1,1,0,0,0,0|0,0,2]=4 72 B6R0.6 CC\C=C\CCC 9219AL [1,1,0,0,0,0|1,0,1]=4 73 B6R0.6 C\C=C/CCCC 7422AL [1,1,0,0,0,0|1,0,1]=4 74 B6R0.6 C\C=C/CCCCl 7455AL [1,1,0,0,0,0|1,0,1]=4 75 B6R0.6 C\C=C\CCCC 7780AF [1,1,0,0,0,0|1,0,1]=4 76 B6R0.6 C\C=C\SCCC U946 [1,1,0,0,0,0|1,0,1]=4 77 B8R0.16 CO\C(C=O)=C\N(C)C X9940 [0,2,0,0,0,0|1,0,0]=3 78 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [0,2,0,0,0,0|0,0,1]=3 79 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [0,2,0,0,0,0|0,0,2]=4 80 B8R0.23 CC(C)[C@@H](N)CC(=O)O 0469AP [0,2,0,0,0,0|0,0,2]=4 81 B8R0.23 CC(C)[C@@H](N)CC(=O)O Z5862 [0,2,0,0,0,0|0,0,2]=4 82 B8R0.23 CC(C)[C@H](N)CC(=O)O Z5766 [0,2,0,0,0,0|0,0,2]=4 83 B8R0.1 CCCC(C)COC=O 5740AL [0,2,0,0,0,0|1,0,1]=4 84 B8R0.9 CC(C)CNC(=O)CBr 4255AF [0,2,0,0,0,0|1,0,1]=4 85 B8R0.9 CC(C)CNC(=O)CN 5727AD [0,2,0,0,0,0|1,0,1]=4 86 B8R0.9 CC(C)OCC(=O)NN 2431AF [0,2,0,0,0,0|1,0,1]=4 87 B8R0.9 CCC(=O)CCC(C)C 7962AF [0,2,0,0,0,0|0,0,2]=4 88 B8R0.9 CCC(C)COC(C)=O 1426AQ [0,2,0,0,0,0|1,0,1]=4 89 B8R0.9 COC(=O)\C=C\C(C)=O 7011AL [0,2,0,0,0,0|1,0,1]=4 90 B8R0.11 COC(\C=C\C=O)OC 7953AL [0,2,0,0,0,0|0,0,0]=2 91 B8R0.11 CO\C=C\C(OC)OC 4624AH [0,2,0,0,0,0|2,0,0]=4 92 B8R0.28 CC(=O)CCOC(C)C 6552AL [0,2,0,0,0,0|0,0,2]=4 93 B8R0.28 CC(C)CCOC(=O)Cl 6828AJ [0,2,0,0,0,0|0,0,2]=4 94 B8R0.28 CC(C)C\C=C\B(O)O X0620 [0,2,0,0,0,0|0,0,2]=4 95 B8R0.28 CC(C)NCCC(N)=O 6779AD [0,2,0,0,0,0|0,0,2]=4 96 B8R0.28 CC(C)\C=C\CC(C)C 5417AL [0,2,0,0,0,0|1,0,1]=4 97 B8R0.28 CN(C)C\C=C\C(=O)O 1119AQ [0,2,0,0,0,0|1,0,0]=3 98 B8R0.29 CC(C)(C)CCC(=O)O 8824AC [0,2,0,0,0,0|0,0,2]=4 99 B8R0.29 CC(C)(N)CCC(=O)O 0201AE [0,2,0,0,0,0|0,0,2]=4 100 B8R0.29 CC(C)(N)CNC(N)=O 1059AL [0,2,0,0,0,0|1,0,1]=4 101 B8R0.29 NC(=O)\C=C\C(F)(F)F 6311AE [0,2,0,0,0,0|2,0,0]=4 102 B6R1.3 O=C=NC1CC1 X4805 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.1 CC1=CC=C(C=O)N1 3298AA [0,1,0,1,0,0|1,0,1]=4 104 B8R1.1 CC1=NOC(C=O)=C1 Y9882 [0,1,0,1,0,0|1,0,1]=4 105 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 2847AB [0,1,0,1,0,0|1,0,1]=4 106 B8R1.1 O=C1CC(CO)CN1 7314AE [0,1,0,1,0,0|1,0,1]=4 107 B8R1.1 O=C1CCC(CO)C1 W1896 [0,1,0,1,0,0|0,0,2]=4 108 B8R1.4 CC1=CC(=O)NC=C1 X3603 [0,1,0,1,0,0|0,0,2]=4 109 B8R1.4 CC1=CN=NC(=O)C1 5887AH [0,1,0,1,0,0|1,0,1]=4 110 B8R1.4 CC1CC(=O)CCN1 1072AC [0,1,0,1,0,0|0,0,2]=4 111 B8R1.18 CC1CC(=O)NC1=O 2461AL [0,1,0,1,0,0|1,0,0]=3 112 B8R1.51 CC1(C)CC(=O)CS1 3715AB [0,1,0,1,0,0|1,0,1]=4 113 B8R1.51 CC1(C)CCC(=O)C1 V4062 [0,1,0,1,0,0|0,0,2]=4 114 B8R1.51 CC1(C)CNC(=O)O1 2855AL [0,1,0,1,0,0|1,0,1]=4 115 B8R1.51 CC1(C)COC(=O)C1 2579AL [0,1,0,1,0,0|1,0,1]=4 116 B8R1.51 CC1(C)OCC(=O)O1 5725AB [0,1,0,1,0,0|1,0,1]=4 117 B8R1.51 NC1C=CS(=O)(=O)C1 5679AE [0,1,0,1,0,0|2,0,0]=4 118 B8R1.51 O=S1(=O)C=CC(Br)C1 V6451 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.3 CC1CCC(=O)NC1 3753AB [0,1,0,1,0,0|0,0,2]=4 120 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,1,0,1,0,0|1,0,1]=4 121 B8R1.50 CC1=CC=C(C)N1C 4413AL [0,1,0,1,0,0|1,0,1]=4 122 B8R1.50 CC1CCC(=O)N1C 0337AQ [0,1,0,1,0,0|0,0,2]=4 123 B8R1.7 CC(C)C1=NC=CS1 V3543 [0,1,0,1,0,0|0,1,0]=3 124 B8R1.7 CC(C)N1C=NC=N1 9796AB [0,1,0,1,0,0|2,0,0]=4 125 B8R1.7 CC(N)C1=CC=CS1 9580AB [0,1,0,1,0,0|1,1,0]=4 126 B8R1.7 CC(N)C1=CSC=C1 0073AD [0,1,0,1,0,0|1,1,0]=4 127 B8R1.7 CC(N)C1=CSC=N1 4743AH [0,1,0,1,0,0|2,0,0]=4 128 B8R1.7 CC(O)C1=CC=CN1 Z2357 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.7 CC(O)C1=CC=CO1 0311AQ [0,1,0,1,0,0|1,0,1]=4 130 B8R1.7 CC(O)C1=COC=C1 3660AD [0,1,0,1,0,0|1,0,1]=4 131 B8R1.19 CC1(C)OC=CC1=O 0580AQ [0,1,0,1,0,0|0,0,0]=2 132 B8R1.35 O=C(O)C#CC1CC1 0479AQ [0,1,0,1,0,0|0,0,2]=4 133 B8R1.35 OB(O)\C=C\C1CC1 V8900 [0,1,0,1,0,0|1,0,1]=4 134 B8R1.23 CC1CC(C(=O)O)C1 3997AC [0,1,0,1,0,0|0,0,2]=4 135 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 3996AC [0,1,0,1,0,0|0,0,2]=4 136 B8R1.77 CC1(C)CC1C(N)=O 5881AD [0,1,0,1,0,0|0,0,2]=4 137 B8R2.34 C1=CC2CC1CN2 0247AC [0,0,0,2,0,0|1,0,1]=4