0 B14R2.8235 C[C@H]1CC(=O)C2=C(C=CC(F)=C2)O1 D90653 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.162 CC1=CC2=C(C=C1)CCCC2=O I10919 [1,0,0,0,0,0|1,0,2]=4 2 B13R2.162 CC1=CC2=C(C=C1)OCCC2=O F16356 [1,0,0,0,0,0|1,0,2]=4 3 B13R2.162 C[C@H]1CCNC2=C1C=C(Br)C=C2 W16321 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.162 NC1=CC2=C(C=C1)CCC[C@@H]2O 31461 [1,0,0,0,0,0|2,0,0]=3 5 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 26352 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 32236 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 32701 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.162 N[C@H]1CCSC2=C1C=C(Br)C=C2 SC1381 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.162 O=C1CCNC2=C1C=C(Br)C=C2 27473 [1,0,0,0,0,0|1,0,2]=4 10 B13R2.162 O=C1CCNC2=C1C=C(Cl)C=C2 Y10176 [1,0,0,0,0,0|1,0,2]=4 11 B13R2.3683 C[C@H]1CCC2=C(C=CC(F)=C2)N1 26211 [1,0,0,0,0,0|1,0,0]=2 12 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 90272 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)N1 47232 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)N1 90199 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.3683 O=C1CCC2=C(C=CC(O)=C2)N1 69153 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.141 CCOC1=C(B(O)O)C=C(C)C=C1 N11997 [0,0,1,0,0,0|3,0,0]=4 17 B13R1.446 CCOC(=O)C1=C(N)C=CC(C)=C1 23448 [0,0,1,0,0,0|1,0,2]=4 18 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)[C@H]2N 72201 [0,0,0,0,1,0|2,0,1]=4 19 B12R1.1 OCCCOC1=CC=C(F)C=C1 50037 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.32 CN(CCO)CC1=CC=CC=C1 D70360 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.75 CC(=O)NC1=C(CO)C=CC=C1 30764 [1,0,1,0,0,0|1,0,1]=4 22 B12R1.233 CC(=O)NC1=C(C)C=C(C)C=C1 W11349 [1,0,1,0,0,0|1,0,1]=4 23 B12R1.17 CC1=CC=CC([C@@H](N)CCO)=C1 66832 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.17 CC1=CC=CC([C@@H](N)CCO)=C1 66833 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 80038 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 D70603 [1,0,1,0,0,0|2,0,0]=4 27 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 N10556 [2,0,0,0,0,0|2,0,0]=4 28 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 69845 [2,0,0,0,0,0|1,0,0]=3 29 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 27393 [2,0,0,0,0,0|2,0,0]=4 30 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 I11494 [2,0,0,0,0,0|2,0,0]=4 31 B12R2.24 CC1=CC2=C(C=C1)CCNC2 26311 [2,0,0,0,0,0|2,0,0]=4 32 B12R2.24 CC1=CC2=C(C=C1)CCNC2 71799 [2,0,0,0,0,0|2,0,0]=4 33 B12R2.24 CC1=CC2=C(C=C1)CNCC2 64316 [2,0,0,0,0,0|2,0,0]=4 34 B12R2.24 CC1=CC2=C(C=C1)NCCC2 D91482 [2,0,0,0,0,0|0,0,0]=2 35 B12R2.24 CC1=CC=C2CCCCC2=N1 C15437 [2,0,0,0,0,0|2,0,0]=4 36 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 AC1627 [2,0,0,0,0,0|0,0,0]=2 37 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)S1 72290 [2,0,0,0,0,0|2,0,0]=4 38 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 36162 [2,0,0,0,0,0|1,0,0]=3 39 B12R2.24 FC1=CC2=C(C=C1)NCCC2 F11863 [2,0,0,0,0,0|1,0,0]=3 40 B12R2.24 FC1=CC2=C(C=C1)NCCO2 90432 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 20236 [2,0,0,0,0,0|2,0,0]=4 42 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 64816 [2,0,0,0,0,0|1,0,1]=4 43 B12R2.24 OC1=CC2=C(C=C1)CCCC2 O11319 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.24 OC1=CC2=C(C=C1)NCCC2 25056 [2,0,0,0,0,0|1,0,0]=3 45 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 94674 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.1081 CN1CCNC2=C1C=CC=C2 25611 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 52172 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 52173 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 F13060 [2,0,0,0,0,0|2,0,0]=4 50 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 F16883 [2,0,0,0,0,0|2,0,0]=4 51 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 20284 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 24954 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 87774 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 Y10074 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.1081 O=C1CCNC2=C1C=CC=C2 23896 [2,0,0,0,0,0|0,0,2]=4 56 B12R2.1081 O=C1CCNC2=C1C=CC=C2 SC3441 [2,0,0,0,0,0|0,0,2]=4 57 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 73935 [2,0,0,0,0,0|1,0,0]=3 58 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 66602 [2,0,0,0,0,0|2,0,0]=4 59 B14R2.4536 CC1(C)CCNC2=C1C=C(Br)C=C2 SC2851 [1,1,0,0,0,0|2,0,0]=4 60 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CC2 61018 [1,1,0,0,0,0|1,0,1]=4 61 B14R2.947 CC1=CC=C(O[C@H]2C[C@H](N)C2)C=C1 P14611 [0,0,1,1,0,0|2,0,0]=4 62 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 50781 [0,0,1,0,1,0|1,0,0]=3 63 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 66823 [0,0,1,0,1,0|1,0,0]=3 64 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 N12380 [0,0,1,0,1,0|2,0,0]=4 65 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 51807 [0,0,1,0,1,0|2,0,0]=4 66 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 55912 [0,0,1,0,1,0|2,0,0]=4 67 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 55926 [0,0,1,0,1,0|2,0,0]=4 68 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58164 [0,0,1,0,1,0|2,0,0]=4 69 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58175 [0,0,1,0,1,0|2,0,0]=4 70 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 61116 [0,0,1,0,1,0|2,0,0]=4 71 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 61117 [0,0,1,0,1,0|2,0,0]=4 72 B12R2.132 CC1=CC2=C(C=C1)CCC2=O 82947 [1,0,0,0,1,0|0,0,2]=4 73 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2O 72142 [1,0,0,0,1,0|0,0,0]=2 74 B12R2.18 OC1C2=C(C=CC=C2)CC1Br A10217 [1,0,0,0,1,0|2,0,0]=4 75 B12R2.18 O[C@@H]1C2=C(C=CC=C2)C[C@H]1Br 31137 [1,0,0,0,1,0|2,0,0]=4 76 B12R2.2028 C[C@H]1CC(=O)C2=C1C=CC=C2 H10914 [1,0,0,0,1,0|0,0,2]=4 77 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 83183 [1,0,0,0,1,0|1,0,1]=4 78 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 60590 [1,0,0,0,1,0|0,0,2]=4 79 B12R2.606 CC1=CC2=C(C=C1)NC(C)=N2 C15122 [1,0,0,0,1,0|1,0,1]=4 80 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 82920 [1,0,0,0,1,0|1,0,1]=4 81 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 F12583 [1,0,0,0,1,0|2,0,0]=4 82 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 71622 [1,0,0,0,1,0|2,0,0]=4 83 B12R2.612 O[C@H]1CCC2=C1C=CC(Cl)=C2 N12515 [1,0,0,0,1,0|2,0,0]=4 84 B12R2.612 O[C@H]1CCC2=C1C=CC(F)=C2 69967 [1,0,0,0,1,0|2,0,0]=4