0 B9R1.37 CC1=C(C)C(I)=C(C)S1 5H66-H-05 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.37 CC1=NN(C)C(C)=C1Br 3H32-9-3L [0,0,0,0,0,0|4,0,0]=4 2 B9R1.37 CC1=NN(C)C(C)=C1O 4H01-1-DU [0,0,0,0,0,0|3,0,0]=3 3 B9R1.37 CC1CC(=O)C(=O)C1C 2218-1-16 [0,0,0,0,0,0|1,0,2]=3 4 B9R1.37 CC1OC(=O)C(=O)C1C 2H29-1-0B [0,0,0,0,0,0|0,0,2]=2 5 B9R1.37 CC1OC(C)C(=O)C1=O 2H18-1-0D [0,0,0,0,0,0|2,0,2]=4 6 B9R1.37 O=C1OC(=O)C(Br)=C1Br 2H26-8-00 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.37 O=C1OC(O)C(Cl)=C1Cl 2H25-5-0S [0,0,0,0,0,0|3,0,0]=3 8 B8R1.18 C=C1CC(C)OC1=O 2H25-1-3A [1,0,0,0,0,0|1,0,1]=3 9 B8R1.18 CC1=C(C)NC(=O)N1 4H53-1-02 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.18 CC1=C(C)OC(=O)O1 2H17-1-75 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.18 CC1=CC(=O)C(C)O1 2H17-1-69 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.18 CC1=CC(=O)OC1O 2425-1-01 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.18 CC1=CC(Br)=NN1C 3H32-9-CE [1,0,0,0,0,0|3,0,0]=4 14 B8R1.18 CC1=CC(N)=NN1C 3H30-1-89 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.18 CC1=CC(N)=NN1C 3H30-5-36 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.18 CC1=CC(S)=C(C)O1 6H61-1-02 [1,0,0,0,0,0|1,1,1]=4 17 B8R1.18 CC1CC(=O)OC1=O 2H26-1-0B [1,0,0,0,0,0|3,0,0]=4 18 B8R1.18 C[C@@H]1OC(=O)O[C@@H]1C 2H28-1-Z0 [1,0,0,0,0,0|1,0,1]=3 19 B8R1.18 O=C1C=C(Br)C(=O)O1 2H26-9-02 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.50 CC1=C(Br)C(=O)NN1 4H48-9-86 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.50 CC1=C(Br)C=NN1C 3H32-9-BE [1,0,0,0,0,0|3,0,0]=4 22 B8R1.50 CC1=C(C)C(=O)NC1 4H48-1-Q8 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.50 CC1=C(C)C(Br)=NO1 4H56-9-6E [1,0,0,0,0,0|2,0,1]=4 24 B8R1.50 CC1=C(N)C=NN1C 3H30-5-9V [1,0,0,0,0,0|3,0,0]=4 25 B8R1.50 CC1=C(O)C(=O)OC1 2H25-1-56 [1,0,0,0,0,0|0,0,0]=1 26 B8R1.50 CC1=NNC(C)=C1O 4H01-1-D5 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.50 CC1=NOC(C)=C1I 4H56-H-07 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.50 CC1=NOC(N)=C1C 4H30-1-4T [1,0,0,0,0,0|3,0,0]=4 29 B8R1.50 CC1C(=O)COC1=O 2225-1-00 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.50 CC1CCC(=O)C1=O 2218-1-00 [1,0,0,0,0,0|1,0,2]=4 31 B8R1.50 O=C1OC[C@@H](O)[C@H]1O 2H29-1-65 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.34 CCC1OC(=O)C(=O)C1C 2H29-1-0A [0,1,0,0,0,0|0,0,2]=3 33 B10R1.256 COC1=C(C)OC(C)C1=O 2H17-1-0V [0,1,0,0,0,0|2,0,0]=3 34 B8R0.2 CCC(C)C(=O)C(=O)O 2129-1-1A [0,0,1,0,0,0|0,0,2]=3 35 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O 2121-5-0B [0,0,1,0,0,0|1,0,2]=4 36 B8R0.3 C=C(CCl)C(=O)OCC 2224-5-00 [0,0,1,0,0,0|2,0,1]=4 37 B8R0.3 CCOC(=O)C(=O)CC 2129-1-1C [0,0,1,0,0,0|0,0,2]=3 38 B8R0.3 CCOC(=O)C(Br)CC 2123-9-04 [0,0,1,0,0,0|1,0,2]=4 39 B8R0.3 CCOC(=O)C(C)C=O 2123-1-1H [0,0,1,0,0,0|2,0,1]=4 40 B8R0.3 CCOC(=O)C(C)CC 2123-1-0K [0,0,1,0,0,0|1,0,2]=4 41 B8R0.3 CCOC(=O)C(Cl)C=O 2123-5-X6 [0,0,1,0,0,0|2,0,1]=4 42 B8R0.3 CCOC(=O)C(N)CC 4157-5-0B [0,0,1,0,0,0|1,0,2]=4 43 B8R0.3 CCOC(=O)[C@H](N)CC 4158-5-RR [0,0,1,0,0,0|1,0,2]=4 44 B8R0.3 CCOC(=O)\C(Br)=C\Br 2323-9-01 [0,0,1,0,0,0|2,0,0]=3 45 B8R0.3 CCOC(=O)\C(N)=N\O 4147-1-0B [0,0,1,0,0,0|3,0,0]=4 46 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 2701-1-43 [0,0,0,0,0,1|2,0,1]=4 47 B10R1.22 CC1=CC(C)=C(O)C(Cl)=C1 2701-5-11 [0,0,0,0,0,1|2,0,1]=4 48 B10R1.22 CC1=CC(C)=C(O)C(I)=C1 2701-H-07 [0,0,0,0,0,1|2,0,1]=4 49 B10R1.22 CC1=CC(O)=NC(O)=C1C 4H04-1-0K [0,0,0,0,0,1|1,0,2]=4 50 B10R1.22 CC1=NC(N)=NC(O)=C1C 4H30-1-75 [0,0,0,0,0,1|2,0,1]=4 51 B10R1.118 CC1=CC(N)=C(O)C=C1C 4756-1-0K [0,0,0,0,0,1|2,0,1]=4 52 B10R1.118 CC1=CC(O)=C(Cl)C=C1C 2701-5-14 [0,0,0,0,0,1|2,0,1]=4 53 B10R1.118 C[C@@H]1OC(=O)[C@H](C)OC1=O 2H25-1-2T [0,0,0,0,0,1|2,0,1]=4 54 B10R1.118 C[C@H]1OC(=O)[C@@H](C)OC1=O 2H25-1-2P [0,0,0,0,0,1|2,0,1]=4 55 B10R1.119 CC1=C(O)C(=O)C=CN1C 4H56-1-0HH [0,0,0,0,0,1|2,0,0]=3 56 B10R1.119 CC1=CC=C(Cl)C(O)=C1C 2701-5-16 [0,0,0,0,0,1|2,0,1]=4 57 B7R0.2 C=CC(=O)NC(C)C 4348-1-0G [1,0,1,0,0,0|2,0,0]=4 58 B7R0.2 C=CC(C)OC(C)=O 2323-1-1F [1,0,1,0,0,0|0,0,2]=4 59 B7R0.2 CC(C)OC(=O)CBr 2123-9-39 [1,0,1,0,0,0|1,0,1]=4 60 B7R0.2 CC(C)OC(=O)CCl 2123-5-1F [1,0,1,0,0,0|1,0,1]=4 61 B7R0.2 CC(C)OC(=O)CN 4158-5-0F [1,0,1,0,0,0|1,0,1]=4 62 B7R0.2 CC(C)OC(=O)CO 2129-1-0W [1,0,1,0,0,0|0,0,1]=3 63 B7R0.2 CCC(=O)CC(=O)O 2129-1-1N [1,0,1,0,0,0|1,0,1]=4 64 B7R0.2 CCC(C)CC(=O)O 2121-1-00 [1,0,1,0,0,0|0,0,2]=4 65 B7R0.2 CCC(C)OC(=O)Cl 2116-5-08 [1,0,1,0,0,0|1,0,1]=4 66 B7R0.2 CC[C@H](C)CC(=O)O 2121-1-S4 [1,0,1,0,0,0|0,0,2]=4 67 B7R0.5 C=C(Br)C(=O)OCC 2324-9-0A [1,0,1,0,0,0|1,0,0]=3 68 B7R0.5 CCOC(=O)C(=O)[O-] 2122-1-11 [1,0,1,0,0,0|1,0,1]=4 69 B7R0.5 CCOC(=O)C(C)Cl 2123-5-1M [1,0,1,0,0,0|1,0,1]=4 70 B7R0.5 CCOC(=O)[C@@H](C)N 4158-5-RF [1,0,1,0,0,0|1,0,1]=4 71 B7R0.5 CCOC(=O)[C@@H](C)O 2129-1-RD [1,0,1,0,0,0|0,0,1]=3 72 B7R0.5 CC\C=C(/C)C(=O)O 2321-1-0R [1,0,1,0,0,0|1,0,0]=3 73 B7R0.5 [C@@H](C)(N)C(=O)OCC 4158-5-SF [1,0,1,0,0,0|1,0,1]=4 74 B7R0.10 CCC(=O)C(=O)OC 2129-1-61 [1,0,1,0,0,0|0,0,2]=4 75 B7R0.10 CC[C@@H](O)C(=O)OC 2129-1-R6 [1,0,1,0,0,0|0,0,2]=4 76 B7R0.10 COC(=O)C(=O)OC 2123-1-68 [1,0,1,0,0,0|1,0,1]=4 77 B7R0.10 COC(=O)\C(C)=C\Br 2323-9-04 [1,0,1,0,0,0|2,0,0]=4 78 B7R0.10 C\C=C(\C)C(=O)OC 2323-1-1B [1,0,1,0,0,0|1,0,0]=3 79 B7R0.16 CC(C)C(=O)C(=O)O 2129-1-0Q [1,0,1,0,0,0|0,0,2]=4 80 B7R0.16 CC(C)[C@@H](O)C(=O)O 2129-1-18 [1,0,1,0,0,0|0,0,2]=4 81 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 4157-1-33 [1,0,1,0,0,0|1,0,1]=4 82 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)O 4157-1-X7 [1,0,1,0,0,0|1,0,1]=4 83 B7R0.7 C=CCC(=O)OCC 2323-1-0W [1,0,1,0,0,0|0,0,2]=4 84 B7R0.7 C=COC(=O)\C=C\C 2324-1-0E [1,0,1,0,0,0|0,0,2]=4 85 B7R0.7 CCOC(=O)CNC 4158-5-0H [1,0,1,0,0,0|1,0,1]=4 86 B7R0.7 CCOC(=O)COC 2123-1-55 [1,0,1,0,0,0|1,0,1]=4 87 B7R0.7 CCOC(=O)CSC 6166-1-0E [1,0,1,0,0,0|1,0,1]=4 88 B7R0.7 CCOC(=O)\C=C/Br 2323-9-Z0 [1,0,1,0,0,0|1,0,0]=3 89 B7R0.7 CCOC(=O)\C=C\[O-] 2123-1-69 [1,0,1,0,0,0|1,0,0]=3 90 B7R1.2 CC1=CC(=O)CO1 2H17-1-80 [2,0,0,0,0,0|2,0,0]=4 91 B7R1.2 CC1=CC=C(Br)O1 2H10-9-0D [2,0,0,0,0,0|1,0,1]=4 92 B7R1.2 CC1COC(=O)O1 2H28-1-01 [2,0,0,0,0,0|1,0,1]=4 93 B7R1.2 CN1C=C(O)C=N1 4H56-5-4F [2,0,0,0,0,0|2,0,0]=4 94 B7R1.2 C[C@@H]1COC(=O)N1 4H48-1-RL [2,0,0,0,0,0|1,0,1]=4 95 B7R1.2 C[C@@H]1COC(=O)O1 2H26-1-R1 [2,0,0,0,0,0|1,0,1]=4 96 B7R1.2 C[C@H]1COC(=O)N1 4H48-1-SL [2,0,0,0,0,0|1,0,1]=4 97 B7R1.2 C[C@H]1COC(=O)O1 2H28-1-S1 [2,0,0,0,0,0|1,0,1]=4 98 B7R1.2 O=C1C=C(Br)CO1 2425-9-00 [2,0,0,0,0,0|1,0,0]=3 99 B7R1.2 O=C1C=C(O)CO1 2H20-1-33 [2,0,0,0,0,0|1,0,0]=3 100 B7R1.2 O=C1C=CC(O)C1 2420-1-07 [2,0,0,0,0,0|2,0,0]=4 101 B7R1.4 C=C1CCOC1=O 2H25-1-2M [2,0,0,0,0,0|1,0,1]=4 102 B7R1.4 CC1=C(Br)C=CO1 2H10-9-13 [2,0,0,0,0,0|1,0,1]=4 103 B7R1.4 CC1=C(C)SC=C1 5H66-1-X6 [2,0,0,0,0,0|0,1,1]=4 104 B7R1.4 CC1=COC=C1Br 2H10-9-33 [2,0,0,0,0,0|1,0,1]=4 105 B7R1.4 CC1=NON=C1O 4H01-1-2P [2,0,0,0,0,0|2,0,0]=4 106 B7R1.4 NC1=CCOC1=O 4H56-1-HN [2,0,0,0,0,0|1,0,0]=3 107 B7R1.4 O=C1CCC=C1Br 2417-9-01 [2,0,0,0,0,0|2,0,0]=4 108 B7R1.4 O=C1OCC[C@H]1O 2H29-1-R0 [2,0,0,0,0,0|0,0,2]=4 109 B9R0.35 CCCC(=O)C(=O)OCC 2129-1-1D [0,1,1,0,0,0|0,0,2]=4 110 B9R0.34 C\C=C\C(=O)OC(C)CC 2323-1-0Y [0,1,1,0,0,0|1,0,1]=4 111 B9R1.22 CC1=C(CBr)OC(=O)O1 2H17-1-Y4 [1,1,0,0,0,0|1,0,1]=4 112 B9R1.22 CC1=CC(CN)=C(C)O1 4H56-1-WG [1,1,0,0,0,0|1,0,1]=4 113 B9R1.23 CC1=C(C)SC(C=O)=C1 6H15-1-17 [1,1,0,0,0,0|0,1,1]=4 114 B9R1.23 CC1=CC(C=O)=NN1C 4H15-1-T4 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.38 C=C1OC(=O)OC1(C)C 2H28-1-12 [1,1,0,0,0,0|1,0,1]=4 116 B9R1.38 CC1(C)OC(=O)NC1=O 4H48-1-05X [1,1,0,0,0,0|2,0,0]=4 117 B9R1.27 CC1=NOC(C)=C1CO 4H01-1-V3 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.132 COC1=C(Br)C(=O)CC1 2417-9-00 [1,1,0,0,0,0|2,0,0]=4 119 B9R1.138 CC1(C)COC(=O)[C@@H]1O 2H25-1-R0 [1,1,0,0,0,0|0,0,2]=4 120 B9R1.138 CC1(C)COC(=O)[C@H]1O 2H25-1-S0 [1,1,0,0,0,0|0,0,2]=4 121 B11R1.8 CC1=CC(C)=C(O)C(C=O)=C1 2715-1-45 [0,1,0,0,0,1|1,0,1]=4 122 B11R1.1361 CC1=C(C)C(=O)OC(C)(C)O1 2H25-1-3H [0,1,0,0,0,1|1,0,0]=3 123 B11R1.278 CCN1C=CC(=O)C(O)=C1C 4H20-1-05 [0,1,0,0,0,1|2,0,0]=4 124 B9R1.41 CC1=C(C(=O)O)OC=C1 2H21-1-27 [0,0,1,1,0,0|0,0,2]=4 125 B9R1.41 CC1=C(C(=O)O)OC=N1 4H21-1-9N [0,0,1,1,0,0|1,0,1]=4 126 B9R1.41 CC1=C(C(=O)O)ON=C1 4H21-1-Y5 [0,0,1,1,0,0|1,0,1]=4 127 B9R1.74 CCOC(=O)C1(O)CC1 8H70-1-V2 [0,0,1,1,0,0|0,0,2]=4 128 B9R1.183 CCOC(=O)C1C=C1C 2323-1-44 [0,0,1,1,0,0|1,0,1]=4 129 B9R1.34 CC1=CC(=O)C=C(C)N1 4H17-1-1D [1,0,0,0,0,1|1,0,1]=4 130 B9R1.34 CC1=CC(=O)OC(C)=C1 2H25-1-35 [1,0,0,0,0,1|0,0,1]=3