0 B9R1.37 CC1=C(C)C(=O)OC1=O D68903 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.37 CC1=NN(C)C(C)=C1Br B39280 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.37 CC1=NN(C)C(C)=C1N A43436 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.37 CC1=NN(C)C(C)=C1N T41491 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.37 O=C1OC(=O)C(Br)=C1Br D32378 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [1,0,0,0,0,0|1,0,1]=3 7 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.18 CC1=CC(=O)OC1=O C60582 [1,0,0,0,0,0|1,0,1]=3 9 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [1,0,0,0,0,0|1,0,0]=2 10 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.18 CC1=CC(Br)=NN1C B41126 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.18 CC1=CC(C)=NN1C T41425 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.18 CC1=CC(Cl)=NN1C C41128 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.18 CC1=CC(N)=NN1C D41245 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.18 O=C1C=C(Br)C(=O)O1 B69515 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C40066 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.50 CC1=C(Br)C(=O)NN1 B40127 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.50 CC1=C(Br)C=NN1C B41125 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.50 CC1=C(C)C(N)=NO1 D1375 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.50 CC1=C(N)C=NN1C D41401 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.50 CC1=NOC(C)=C1Br B7571 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.50 CC1=NOC(C)=C1I D39177 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.50 CC1=NOC(N)=C1Br B67364 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.50 CC1=NOC(N)=C1Cl C64997 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.50 O=C1CCC(=O)N1O H68064 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.50 O=C1OCC(Br)=C1Br D2821 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [1,0,0,0,0,0|1,0,2]=4 31 B10R1.34 O=C1O[C@H](CO)[C@@H](O)[C@H]1O D65711 [0,1,0,0,0,0|1,0,2]=4 32 B10R1.34 O=C1O[C@H](CO)[C@H](O)[C@@H]1O D41236 [0,1,0,0,0,0|1,0,2]=4 33 B10R1.191 CC1=C(C)C(C)C(C)C1=O T50434 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.3 C=C(CBr)C(=O)OCC E43400 [0,0,1,0,0,0|2,0,1]=4 35 B8R0.3 C=C(CO)C(=O)OCC E41470 [0,0,1,0,0,0|2,0,1]=4 36 B8R0.3 CCOC(=O)C(=O)CBr E15776 [0,0,1,0,0,0|1,0,2]=4 37 B8R0.3 CCOC(=O)C(=O)CBr E2491 [0,0,1,0,0,0|1,0,2]=4 38 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,0,1,0,0,0|0,0,2]=3 39 B8R0.3 CCOC(=O)C(=O)NN E36826 [0,0,1,0,0,0|2,0,1]=4 40 B8R0.3 CCOC(=O)C(N)=NO E40243 [0,0,1,0,0,0|3,0,0]=4 41 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [0,0,1,0,0,0|1,0,2]=4 42 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [0,0,1,0,0,0|1,0,2]=4 43 B8R0.3 CCOC(=O)\C(Cl)=N\O E2979 [0,0,1,0,0,0|3,0,0]=4 44 B8R1.25 O=C1C(=O)C(O)=C1O D3146 [0,0,0,0,1,0|2,0,1]=4 45 B10R1.22 CC1=C(C)C(O)=CC(=O)N1 H46410 [0,0,0,0,0,1|1,0,1]=3 46 B10R1.22 CC1=C(C)C(O)=CC(=O)O1 H46256 [0,0,0,0,0,1|0,0,1]=2 47 B10R1.22 CC1=C(O)C(=O)N=C(N)N1 A41150 [0,0,0,0,0,1|2,0,1]=4 48 B10R1.22 CC1=CC(O)=C(C)C(C)=C1 T68899 [0,0,0,0,0,1|2,0,1]=4 49 B10R1.22 CC1=NC(O)=NC(O)=C1C D38138 [0,0,0,0,0,1|1,0,2]=4 50 B10R1.118 CC1=C(C)NC(=O)C(Cl)=N1 C43077 [0,0,0,0,0,1|2,0,1]=4 51 B10R1.118 C[C@H]1OC(=O)[C@@H](C)OC1=O D32147 [0,0,0,0,0,1|2,0,1]=4 52 B7R0.2 CC(C)OC(=O)CO I38145 [1,0,1,0,0,0|0,0,1]=3 53 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,0,1,0,0,0|0,0,2]=4 54 B7R0.5 CCC=C(C)C(=O)O M39198 [1,0,1,0,0,0|1,0,0]=3 55 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,0,1,0,0,0|0,0,2]=4 56 B7R0.5 CCOC(=O)C(=O)O E36772 [1,0,1,0,0,0|1,0,0]=3 57 B7R0.5 CCOC(=O)C(C)=O E60800 [1,0,1,0,0,0|0,0,1]=3 58 B7R0.5 CCOC(=O)C(N)=O E60589 [1,0,1,0,0,0|1,0,1]=4 59 B7R0.5 CCOC(=O)C(N)=S E15645 [1,0,1,0,0,0|1,1,0]=4 60 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [1,0,1,0,0,0|1,0,1]=4 61 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [1,0,1,0,0,0|0,0,1]=3 62 B7R0.5 CCOC(=O)[C@H](C)F E41270 [1,0,1,0,0,0|1,0,1]=4 63 B7R0.5 CCOC(=O)[C@H](C)S E40385 [1,0,1,0,0,0|0,1,1]=4 64 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,0,1,0,0,0|1,0,0]=3 65 B7R0.10 CCC(=O)C(=O)CC H41459 [1,0,1,0,0,0|0,0,2]=4 66 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [1,0,1,0,0,0|0,0,2]=4 67 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [1,0,1,0,0,0|0,0,2]=4 68 B7R0.16 CC(O)C(N)C(=O)O T61081 [1,0,1,0,0,0|1,0,1]=4 69 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [1,0,1,0,0,0|1,0,1]=4 70 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [1,0,1,0,0,0|1,0,1]=4 71 B7R0.7 CC#CC(=O)OCC E36835 [1,0,1,0,0,0|0,0,2]=4 72 B7R0.7 CCOC(=O)CNC S69399 [1,0,1,0,0,0|1,0,1]=4 73 B7R0.7 CCOC(=O)CSC E40386 [1,0,1,0,0,0|1,0,1]=4 74 B7R0.7 CCOC(=O)[CH-]C=O E29890 [1,0,1,0,0,0|1,0,1]=4 75 B7R0.7 CCOC(=O)\C=C\I E41181 [1,0,1,0,0,0|1,0,0]=3 76 B7R1.2 CC1=CC(=O)CC1 M22783 [2,0,0,0,0,0|1,0,0]=3 77 B7R1.2 CC1=CC(=O)CO1 M41117 [2,0,0,0,0,0|2,0,0]=4 78 B7R1.2 CC1=CC(=O)NN1 M12010 [2,0,0,0,0,0|2,0,0]=4 79 B7R1.2 CC1=CC(=O)NO1 M68379 [2,0,0,0,0,0|2,0,0]=4 80 B7R1.2 CC1=CC(C)=NO1 D39182 [2,0,0,0,0,0|2,0,0]=4 81 B7R1.2 CC1=CC=C(Br)O1 B41015 [2,0,0,0,0,0|1,0,1]=4 82 B7R1.2 CC1=NOC(N)=C1 A37936 [2,0,0,0,0,0|2,0,0]=4 83 B7R1.2 CN1C=C(O)C=N1 M38839 [2,0,0,0,0,0|2,0,0]=4 84 B7R1.2 CN1C=CC(=O)N1 M40182 [2,0,0,0,0,0|2,0,0]=4 85 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [2,0,0,0,0,0|1,0,1]=4 86 B7R1.2 C[C@H]1COC(=O)N1 M40226 [2,0,0,0,0,0|1,0,1]=4 87 B7R1.2 O=C1C=C(Br)CO1 B3416 [2,0,0,0,0,0|1,0,0]=3 88 B7R1.4 CC1=CC=NN1C D3267 [2,0,0,0,0,0|2,0,0]=4 89 B7R1.4 CC1=NOC=C1N M38991 [2,0,0,0,0,0|2,0,0]=4 90 B7R1.4 O=C1CCC=C1Br B3409 [2,0,0,0,0,0|2,0,0]=4 91 B7R1.4 O=C1CCC=C1O H41119 [2,0,0,0,0,0|1,0,0]=3 92 B9R0.35 CCCC(=O)C(=O)OCC E43810 [0,1,1,0,0,0|0,0,2]=4 93 B9R0.35 CCOC(=N)C(=O)OCC E32050 [0,1,1,0,0,0|1,0,1]=4 94 B9R0.37 CCOC(=O)\C(C#N)=N\O E69423 [0,1,1,0,0,0|1,0,1]=4 95 B9R1.22 CC1=C(CCl)OC(=O)O1 C39175 [1,1,0,0,0,0|1,0,1]=4 96 B9R1.22 CC1=C(CO)OC(=O)O1 H32111 [1,1,0,0,0,0|1,0,1]=4 97 B9R1.38 CC1(C)OC(=O)NC1=O D60733 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.132 COC1=C(Br)C(=O)CC1 B61380 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.138 CC1(C)COC(=O)[C@H]1O H41475 [1,1,0,0,0,0|0,0,2]=4 100 B9R1.41 CC1=C(C(=O)O)OC=C1 M42945 [0,0,1,1,0,0|0,0,2]=4 101 B9R1.41 CC1=C(C(=O)O)OC=N1 M38000 [0,0,1,1,0,0|1,0,1]=4 102 B9R1.41 CC1=C(C(=O)O)ON=C1 M40999 [0,0,1,1,0,0|1,0,1]=4 103 B9R1.74 CCOC(=O)C1(O)CC1 E19212 [0,0,1,1,0,0|0,0,2]=4 104 B9R1.34 CC1=CC(=O)C=C(C)N1 D4504 [1,0,0,0,0,1|1,0,1]=4 105 B9R1.34 CC1=CC(=O)NC(O)=C1 H0016 [1,0,0,0,0,1|1,0,1]=4 106 B9R1.34 CC1=CC(O)=CC(=O)N1 H43145 [1,0,0,0,0,1|1,0,1]=4