0 B12R1.8 NCCCNCC1=CC=CC=C1 BB05-3473 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.28 C=CCCNC1=CC=CC=C1 BB58-4953 [1,0,0,0,0,0|1,0,2]=4 2 B11R1.28 C=CCNCC1=CC=CC=C1 BB20-4594 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.28 N#CCCCC1=NC=CC=C1 BB54-3757 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 NCCCCC1=NC=CC=C1 BB54-4080 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.28 NCCOCC1=CC=CC=C1 BB55-4803 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.28 NCCSCC1=CC=CC=C1 BB53-1385 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.28 OCCNCC1=CC=CC=C1 BB17-0809 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.28 S=C=NCCC1=CC=CC=C1 BB54-2698 [1,0,0,0,0,0|1,1,1]=4 9 B13R1.6 CC1=CC=CC(CNCCCN)=C1 BB01-5357 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.6 NCCCNCC1=CC(Cl)=CC=C1 BB01-5356 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.6 NCCCNCC1=CC(F)=CC=C1 BB01-5580 [0,1,0,0,0,0|2,0,0]=3 12 B13R1.9 CC1=CC=C(CNCCCN)C=C1 BB01-5360 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.9 COCCCNC1=CC=C(N)C=C1 BB17-2684 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.9 NCCCNCC1=CC=C(Cl)C=C1 BB01-5355 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.9 NCCCNCC1=CC=C(F)C=C1 BB01-5354 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.24 C=CCCN[C@H](C)C1=CC=CC=C1 BB58-4952 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.24 NCCCNC(=O)C1=CC=CC=C1 BB32-3477 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.28 C=CCCNCCC1=CC=CC=C1 BB57-3666 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.42 CNCC(O)COC1=CC=CC=C1 BB17-0643 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 BB53-1853 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.337 CC(C)CCNCC1=CC=CC=C1 BB32-2891 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 BB12-2751 [0,1,0,0,0,0|1,0,1]=3 23 B13R1.555 CC1=CC=CC=C1CNCCCN BB01-5582 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.555 NCCCNCC1=CC=CC=C1Cl BB01-5370 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.718 CC(CO)CNCC1=CC=CC=C1 BB57-2239 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 BB54-0112 [0,1,0,0,0,0|2,0,1]=4 27 B13R2.3 C1=CC(C2CCCCN2)=CC=N1 BB56-0441 [0,0,0,1,0,0|2,0,0]=3 28 B13R2.3 C1=CC(C2CCNCC2)=CC=N1 BB12-1766 [0,0,0,1,0,0|3,0,0]=4 29 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 BB56-0727 [0,0,0,1,0,0|1,0,0]=2 30 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 BB56-2420 [0,0,0,1,0,0|2,0,0]=3 31 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 BB54-3139 [0,0,0,1,0,0|2,0,0]=3 32 B13R2.3 C1=CC=C(N2CCOCC2)C=C1 BB17-2150 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.3 C1=CC=C(N2CCSCC2)C=C1 BB17-2151 [0,0,0,1,0,0|3,0,0]=4 34 B13R2.3 C1=CN=C(C2CCCCN2)C=C1 BB56-0369 [0,0,0,1,0,0|2,0,0]=3 35 B13R2.3 C1=CN=CC(C2CCCCN2)=C1 BB56-0317 [0,0,0,1,0,0|2,0,0]=3 36 B13R2.3 C1=CN=CC(C2CNCCO2)=C1 BB58-4348 [0,0,0,1,0,0|2,0,0]=3 37 B13R2.3 [C@@H]1(C2=CN=CC=C2)CCCCN1 BB54-0371 [0,0,0,1,0,0|2,0,0]=3 38 B13R2.15 CC1CNCC1C2=CC=CC=C2 BB58-3084 [0,0,0,1,0,0|2,0,0]=3 39 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 BB56-0022 [0,0,0,1,0,0|1,0,0]=2 40 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 BB57-1254 [0,0,0,1,0,0|2,0,0]=3 41 B13R2.64 C1=CC=C(OC2CCNC2)C=C1 BB12-1122 [0,0,0,1,0,0|3,0,0]=4 42 B13R2.64 C1=CC=C(OC2CCNC2)C=C1 BB31-5814 [0,0,0,1,0,0|3,0,0]=4 43 B13R2.64 C1=CC=C(O[C@@H]2CCNC2)C=C1 BB31-9526 [0,0,0,1,0,0|3,0,0]=4 44 B13R2.1613 NCC1NCCC2=C1C=CC=C2 BB54-0011 [0,0,0,1,0,0|2,0,0]=3 45 B13R2.1613 NCC1OCCC2=CC=CC=C21 BB55-6201 [0,0,0,1,0,0|2,0,0]=3 46 B13R2.1613 OCC1OCCC2=CC=CC=C21 BB54-2916 [0,0,0,1,0,0|1,0,0]=2 47 B13R2.1613 O\N=C1/CCCC2=CC=CC=C21 BB57-5122 [0,0,0,1,0,0|1,0,1]=3 48 B13R2.1613 [C-]#[N+]C1CCCC2=C1C=CC=C2 BB56-1664 [0,0,0,1,0,0|2,0,0]=3 49 B13R2.2382 C1=CC(CCNC2CC2)=CC=N1 BB58-0660 [0,0,0,1,0,0|3,0,0]=4 50 B11R1.4 CCCCNCC1=CC=CS1 BB53-1762 [0,0,0,0,1,0|3,0,0]=4 51 B11R1.4 ClCCCCCC1=CC=CS1 BB54-1790 [0,0,0,0,1,0|2,0,0]=3 52 B10R1.17 BrCCCC1=CN=CC=C1 BB54-3595 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.17 ClCCCC1=CC=NC=C1 BB57-3431 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.17 NCCCC1=CC=CC=N1 BB54-0788 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.17 NCCCC1=CC=NC=C1 BB57-3430 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.17 OCCCC1=CC=NC=C1 BB57-6720 [2,0,0,0,0,0|1,0,0]=3 58 B12R1.1 CC1=CC=C(CNCCN)C=C1 BB01-5338 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.1 CC1=CC=C(CSCCN)C=C1 BB58-0586 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 BB32-2425 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.1 COCCNC1=CC=C(N)C=C1 BB17-2677 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.1 COCCOC1=CC=C(N)C=C1 BB55-3016 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 BB17-1667 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.1 NCCOCC1=CC=C(Cl)C=C1 BB57-4474 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.1 OCCNCC1=CC=C(F)C=C1 BB32-0902 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.28 CC1=CC=CC(CNCCN)=C1 BB01-5346 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.28 CCCCOC1=CC=CC(N)=C1 BB57-1182 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.28 COCCOC1=CC=CC(N)=C1 BB55-3018 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.28 NCCNCC1=CC(Cl)=CC=C1 BB01-5339 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.30 CN(CCCN)C1=CC=CC=C1 BB01-5316 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.252 CC(=O)CCCC1=CC=CC=N1 BB54-3908 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.252 CC(=O)NCCC1=CC=CC=C1 BB01-7779 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.252 O=C(O)CCCC1=CC=CC=N1 BB54-3321 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.252 O=C(O)CCCC1=CC=NC=C1 BB54-3329 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.252 O=C(O)COCC1=CC=CC=C1 BB01-5008 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.267 CC1=CC=CC=C1CNCCN BB01-5347 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.267 CCCCOC1=C(N)C=CC=C1 BB54-0086 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.267 CNCCNC1=C(C)C=CC=C1 BB12-1636 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.267 NCCNCC1=C(Cl)C=CC=C1 BB01-5345 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.267 NCCNCC1=C(F)C=CC=C1 BB01-5328 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.267 NCCOCC1=CC=CC=C1Cl BB55-4846 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.267 NCCSCC1=CC=CC=C1F BB58-0587 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.37 COCCCNCC1=CC=CO1 BB01-5377 [0,1,0,0,1,0|2,0,0]=4 84 B14R1.26 CCCCCCOC1=CC=CC(N)=C1 BB54-0087 [0,2,0,0,0,0|1,0,0]=3 85 B14R1.34 CCCCN(C)CC1=CC(Br)=CC=C1 BB01-1284 [0,2,0,0,0,0|2,0,0]=4 86 B14R1.148 CC1=CC=CC(OCCCC(=O)O)=C1 BB05-3230 [0,2,0,0,0,0|1,0,1]=4 87 B14R1.218 CC1=CC=C(C)C(CNCCCN)=C1 BB01-5371 [0,2,0,0,0,0|2,0,0]=4 88 B14R1.228 COC1=CC(CNCCCN)=CC=C1 BB01-5579 [0,2,0,0,0,0|2,0,0]=4 89 B14R1.677 O=C(O)CCSCC1=CC=C(Cl)C=C1 BB01-2883 [0,2,0,0,0,0|1,0,1]=4 90 B14R1.677 O=C(O)CCSCC1=CC=C(F)C=C1 BB12-2752 [0,2,0,0,0,0|1,0,1]=4 91 B14R1.774 CCCCCCC1=C(O)C=C(O)C=C1 BB17-0600 [0,2,0,0,0,0|1,0,0]=3 92 B14R1.776 COC1=CC=C(CNCCCN)C=C1 BB01-5581 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.38 COCCCNC(C)C1=CC=NC=C1 BB01-5366 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.38 NCCCCCC(=O)C1=CC=CN=C1 BB56-2026 [0,2,0,0,0,0|2,0,0]=4 95 B14R1.38 NCCCCCC(=O)C1=CC=NC=C1 BB56-2027 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.520 NCCC(=O)NCCC1=CC=CC=C1 BB53-1852 [0,2,0,0,0,0|1,0,1]=4 97 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 BB55-8607 [0,2,0,0,0,0|1,0,1]=4 98 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 BB01-5496 [0,2,0,0,0,0|1,0,1]=4 99 B14R1.946 CCCCN(C)CC1=C(Br)C=CC=C1 BB01-1282 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.6449 O=C(O)[C@@H](O)COCC1=CC=CC=C1 BB31-1799 [0,2,0,0,0,0|1,0,1]=4 101 B12R2.2 C1=CC(C2CCCN2)=CC=N1 BB56-0307 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.2 C1=CC=C(C2CCCN2)C=C1 BB01-4666 [1,0,0,1,0,0|1,0,0]=3 103 B12R2.2 C1=CC=C(C2CCNC2)C=C1 BB54-4953 [1,0,0,1,0,0|1,0,0]=3 104 B12R2.2 C1=CN=C(C2CCCN2)C=C1 BB56-1572 [1,0,0,1,0,0|2,0,0]=4 105 B12R2.41 C1=CC2=C(C=C1)OCCCO2 BB53-1823 [1,0,0,1,0,0|1,0,0]=3 106 B12R2.1081 NN1CCCC2=CC=CC=C21 BB55-4758 [1,0,0,1,0,0|2,0,0]=4 107 B14R2.21 BrC1=CC=CC(C2CCCCN2)=C1 BB56-0665 [0,1,0,1,0,0|1,0,0]=3 108 B14R2.21 CC1=CC(C2CCCCN2)=CC=C1 BB56-1353 [0,1,0,1,0,0|1,0,0]=3 109 B14R2.21 CC1=CC=CC(C2CCNCC2)=C1 BB31-8722 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.21 ClC1=CC(C2CCCCN2)=CC=C1 BB56-0904 [0,1,0,1,0,0|1,0,0]=3 111 B14R2.21 FC1=CC(C2CCCCN2)=CC=C1 BB56-0316 [0,1,0,1,0,0|1,0,0]=3 112 B14R2.21 IC1=CC=CC(C2CCCCN2)=C1 BB56-0675 [0,1,0,1,0,0|1,0,0]=3 113 B14R2.716 CC1=CC=CC(CC2CCCN2)=C1 BB56-0526 [0,1,0,1,0,0|1,0,0]=3 114 B14R2.716 CC1=CC=NC(CC2CCCN2)=C1 BB56-1366 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.716 CC1=NC(CC2CCCN2)=CC=C1 BB56-1114 [0,1,0,1,0,0|2,0,0]=4 116 B14R2.716 ClC1=CC(CC2CCCN2)=CC=C1 BB56-0524 [0,1,0,1,0,0|1,0,0]=3 117 B14R2.68 BrC1=CC=C(C2CCCCN2)C=C1 BB56-0673 [0,1,0,1,0,0|1,0,0]=3 118 B14R2.68 CC1=CC=C(C2CCCCN2)C=C1 BB56-0373 [0,1,0,1,0,0|1,0,0]=3 119 B14R2.68 CC1=CC=C(C2CCNCC2)C=C1 BB32-3905 [0,1,0,1,0,0|2,0,0]=4 120 B14R2.68 CN1CCC(C2=CC=CC=C2)CC1 BB31-6903 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.68 FC1=CC=C(C2CCCCN2)C=C1 BB56-0504 [0,1,0,1,0,0|1,0,0]=3 122 B14R2.68 IC1=CC=C(C2CCCCN2)C=C1 BB56-0726 [0,1,0,1,0,0|1,0,0]=3 123 B14R2.68 NC1=CC=C(C2CCCCC2)C=C1 BB57-3675 [0,1,0,1,0,0|1,0,0]=3 124 B14R2.68 NC1CCC(C2=CC=CC=C2)CC1 BB55-0100 [0,1,0,1,0,0|1,0,0]=3 125 B14R2.72 CC1=CC=C(CC2CCCN2)C=C1 BB56-0346 [0,1,0,1,0,0|1,0,0]=3 126 B14R2.72 ClC1=CC=C(CC2CCCN2)C=C1 BB56-0347 [0,1,0,1,0,0|1,0,0]=3 127 B14R2.72 FC1=CC=C(CC2CCCN2)C=C1 BB56-1307 [0,1,0,1,0,0|1,0,0]=3 128 B14R2.72 NC1=CC=C(CN2CCCC2)C=C1 BB54-2540 [0,1,0,1,0,0|2,0,0]=4 129 B14R2.72 NC1=CC=C(OC2CCCC2)C=C1 BB05-3970 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.8 NCC1CCN(C2=CC=CC=C2)C1 BB57-4048 [0,1,0,1,0,0|2,0,0]=4 131 B14R2.114 NC(C1=CC=CC=C1)C2CCCC2 BB32-1136 [0,1,0,1,0,0|1,0,0]=3 132 B14R2.6 C1=CC(CC2CCCCN2)=CC=N1 BB56-1205 [0,1,0,1,0,0|2,0,0]=4 133 B14R2.6 C1=CC=C(CC2CCCCN2)C=C1 BB54-1864 [0,1,0,1,0,0|1,0,0]=3 134 B14R2.6 C1=CC=C(CC2CCCCN2)C=C1 BB56-2117 [0,1,0,1,0,0|1,0,0]=3 135 B14R2.6 C1=CC=C(CC2CCCCN2)N=C1 BB56-0998 [0,1,0,1,0,0|2,0,0]=4 136 B14R2.6 C1=CC=C(CC2COCCN2)C=C1 BB31-0536 [0,1,0,1,0,0|1,0,0]=3 137 B14R2.6 C1=CC=C(NC2CCOCC2)C=C1 BB53-1525 [0,1,0,1,0,0|2,0,0]=4 138 B14R2.6 C1=CC=C(OC2CCCNC2)C=C1 BB90-0072 [0,1,0,1,0,0|2,0,0]=4 139 B14R2.6 C1=CC=C(OC2CCNCC2)C=C1 BB01-1965 [0,1,0,1,0,0|2,0,0]=4 140 B14R2.6 C1=CN=C(CC2CCNCC2)C=C1 BB58-3405 [0,1,0,1,0,0|2,0,0]=4 141 B14R2.14 OC[C@@H]1CNC[C@H]1C2=CC=CC=N2 BB20-4550 [0,1,0,1,0,0|1,0,0]=3 142 B14R2.24 BrC1=CC=CC=C1C2CCCCN2 BB56-2400 [0,1,0,1,0,0|1,0,0]=3 143 B14R2.24 CC1=C(C2CCCNC2)C=CC=C1 BB58-1990 [0,1,0,1,0,0|2,0,0]=4 144 B14R2.24 CC1=CC=CC=C1C2CCCCN2 BB56-1687 [0,1,0,1,0,0|1,0,0]=3 145 B14R2.24 ClC1=C(C2CCCCN2)C=CC=C1 BB56-1707 [0,1,0,1,0,0|1,0,0]=3 146 B14R2.24 FC1=C(C2CNCCN2)C=CC=C1 BB31-2093 [0,1,0,1,0,0|2,0,0]=4 147 B14R2.24 IC1=CC=CC=C1C2CCCCN2 BB56-0694 [0,1,0,1,0,0|1,0,0]=3 148 B14R2.24 OC1=C(C2CCNCC2)C=CC=C1 BB54-3558 [0,1,0,1,0,0|2,0,0]=4 149 B14R2.101 C1=CC=C(CNC2CCNC2)C=C1 BB32-0580 [0,1,0,1,0,0|2,0,0]=4 150 B14R2.101 C1=CC=C(CN[C@H]2CCNC2)C=C1 BB31-9941 [0,1,0,1,0,0|2,0,0]=4 151 B14R2.101 C1=CC=C(COC2CCNC2)C=C1 BB93-0108 [0,1,0,1,0,0|2,0,0]=4 152 B14R2.101 C1=CC=C(NCC2CCCN2)C=C1 BB56-2072 [0,1,0,1,0,0|1,0,0]=3 153 B14R2.7150 CNCC1OCCC2=CC=CC=C21 BB55-6202 [0,1,0,1,0,0|2,0,0]=4 154 B14R2.7150 OCCN1CCOC2=NC=CC=C21 BB20-0424 [0,1,0,1,0,0|2,0,0]=4 155 B14R2.67 CCCNC1CC2=CC=CC=C2C1 BB53-1625 [0,1,0,1,0,0|2,0,0]=4 156 B14R2.67 CCNCC1CC2=C(C=CC=C2)O1 BB54-1239 [0,1,0,1,0,0|2,0,0]=4 157 B14R2.517 O=C1NC2=C(C=CC=C2)C1CCO BB54-4205 [0,1,0,1,0,0|1,0,1]=4 158 B14R2.333 CC1(C)CNCC1C2=CC=CC=C2 BB58-0365 [0,1,0,1,0,0|2,0,0]=4 159 B14R2.764 O=C(O)C1CN1CC2=CC=CC=C2 BB17-0161 [0,1,0,1,0,0|1,0,1]=4 160 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 BB57-2469 [0,1,0,1,0,0|1,0,1]=4 161 B14R2.50 CC1=C(CC2CCCN2)C=CC=C1 BB56-0314 [0,1,0,1,0,0|1,0,0]=3 162 B14R2.50 CC1=C(CC2CCCN2)N=CC=C1 BB56-1187 [0,1,0,1,0,0|2,0,0]=4 163 B14R2.50 ClC1=C(CC2CCCN2)C=CC=C1 BB56-1309 [0,1,0,1,0,0|1,0,0]=3 164 B14R2.50 FC1=C(CC2CCCN2)C=CC=C1 BB56-0308 [0,1,0,1,0,0|1,0,0]=3 165 B14R2.50 NC1=CC=CC=C1OC2CCCC2 BB05-4725 [0,1,0,1,0,0|2,0,0]=4 166 B10R1.21 OCCNCC1=CC=CS1 BB55-8220 [1,0,0,0,1,0|2,0,0]=4