0 B11R2.20 C1=CC2=C(C=C1)CCN=C2 F12436 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.20 C1=CC2=C(C=N1)CCNC2 27429 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.20 C1=CC2=C(C=N1)CCNC2 F52150 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.20 C1=CC2=C(C=N1)CNCC2 67415 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.20 C1=CN=C2CCCNC2=C1 30555 [0,0,0,0,0,0|2,0,0]=2 5 B11R2.20 C1=CN=C2CNCCC2=C1 67455 [0,0,0,0,0,0|2,0,0]=2 6 B11R2.20 C1=CN=C2OCCCC2=C1 AT22008 [0,0,0,0,0,0|2,0,0]=2 7 B11R2.20 C1=CN=C2OCCNC2=C1 83897 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.20 C1=CN=C2OCCOC2=C1 F14644 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.20 C1=NC=C2CCCCC2=N1 F16382 [0,0,0,0,0,0|2,0,0]=2 10 B11R2.20 C1=NC=C2CCNCC2=N1 P13445 [0,0,0,0,0,0|3,0,0]=3 11 B11R2.20 C1=NC=C2CNCCC2=N1 24629 [0,0,0,0,0,0|3,0,0]=3 12 B11R2.20 C1=NC=C2CNCCC2=N1 35879 [0,0,0,0,0,0|3,0,0]=3 13 B11R2.20 C1=NC=C2CNCCC2=N1 SC2801 [0,0,0,0,0,0|3,0,0]=3 14 B11R2.20 C1=NC=C2N=CC=NC2=C1 24416 [0,0,0,0,0,0|1,0,3]=4 15 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 I11495 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.24 BrC1=CC2=C(C=C1)CCOC2 O11641 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.24 BrC1=CC2=C(C=C1)COCC2 72150 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.24 BrC1=CN=C2CCNCC2=C1 21007 [0,1,0,0,0,0|2,0,0]=3 19 B12R2.24 BrC1=CN=C2CCNCC2=C1 P19234 [0,1,0,0,0,0|2,0,0]=3 20 B12R2.24 BrC1=CN=C2CCNCC2=C1 SC2711 [0,1,0,0,0,0|2,0,0]=3 21 B12R2.24 BrC1=CN=C2NCCCC2=C1 51323 [0,1,0,0,0,0|2,0,0]=3 22 B12R2.24 BrC1=CN=C2NCCNC2=C1 F53500 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.24 BrC1=CN=C2OCCNC2=C1 F30181 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.24 BrC1=CN=C2OCCOC2=C1 F14749 [0,1,0,0,0,0|3,0,0]=4 25 B12R2.24 BrC1=NC2=C(C=C1)CCCC2 D82621 [0,1,0,0,0,0|1,0,0]=2 26 B12R2.24 BrC1=NC2=C(C=C1)NCCC2 C71819 [0,1,0,0,0,0|2,0,0]=3 27 B12R2.24 CC1=CC2=C(C=C1)CCCC2 I10992 [0,1,0,0,0,0|2,0,0]=3 28 B12R2.24 CC1=CC2=C(C=C1)CCCN2 26368 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.24 CC1=CC2=C(C=C1)CCCN2 H11139 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.24 CC1=CC2=C(C=C1)CCCO2 Y13225 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.24 CC1=CC2=C(C=C1)CCOC2 N14607 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.24 CC1=CC=C2NCCNC2=N1 C72059 [0,1,0,0,0,0|3,0,0]=4 33 B12R2.24 CC1=NC=C2CNCCC2=N1 94632 [0,1,0,0,0,0|3,0,0]=4 34 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [0,1,0,0,0,0|3,0,0]=4 35 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [0,1,0,0,0,0|3,0,0]=4 36 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 N11405 [0,1,0,0,0,0|2,0,0]=3 37 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C10821 [0,1,0,0,0,0|3,0,0]=4 38 B12R2.24 ClC1=CC2=C(C=C1)CCCO2 Y13230 [0,1,0,0,0,0|3,0,0]=4 39 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 28104 [0,1,0,0,0,0|3,0,0]=4 40 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 O11644 [0,1,0,0,0,0|3,0,0]=4 41 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 83052 [0,1,0,0,0,0|3,0,0]=4 42 B12R2.24 ClC1=CC2=C(C=C1)OCCC2 N11282 [0,1,0,0,0,0|3,0,0]=4 43 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 51056 [0,1,0,0,0,0|1,0,0]=2 44 B12R2.24 ClC1=NC2=C(C=C1)CCCN2 C72207 [0,1,0,0,0,0|2,0,0]=3 45 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 F11138 [0,1,0,0,0,0|2,0,0]=3 46 B12R2.24 ClC1=NC2=C(C=C1)NCCN2 27365 [0,1,0,0,0,0|3,0,0]=4 47 B12R2.24 ClC1=NC2=C(C=C1)OCCN2 84509 [0,1,0,0,0,0|3,0,0]=4 48 B12R2.24 ClC1=NC2=C(C=N1)CCNC2 F50760 [0,1,0,0,0,0|3,0,0]=4 49 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 83059 [0,1,0,0,0,0|3,0,0]=4 50 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 P10751 [0,1,0,0,0,0|3,0,0]=4 51 B12R2.24 ClC1=NC2=C(CCCC2)N=C1 F50761 [0,1,0,0,0,0|0,0,0]=1 52 B12R2.24 ClC1=NN=C2CCNCC2=C1 FD7033 [0,1,0,0,0,0|3,0,0]=4 53 B12R2.24 FC1=CC2=C(C=C1)CCCC2 N10855 [0,1,0,0,0,0|2,0,0]=3 54 B12R2.24 FC1=CC2=C(C=C1)CCCN2 N12847 [0,1,0,0,0,0|3,0,0]=4 55 B12R2.24 FC1=CC2=C(C=C1)CCCO2 Y13024 [0,1,0,0,0,0|3,0,0]=4 56 B12R2.24 FC1=CC2=C(C=C1)OCCC2 Y11947 [0,1,0,0,0,0|3,0,0]=4 57 B12R2.24 IC1=CC2=C(C=C1)OCCC2 32826 [0,1,0,0,0,0|3,0,0]=4 58 B12R2.24 NC1=CC2=C(C=C1)CCCN2 F21389 [0,1,0,0,0,0|3,0,0]=4 59 B12R2.24 NC1=CC2=C(C=C1)CCCO2 Y13028 [0,1,0,0,0,0|3,0,0]=4 60 B12R2.24 NC1=CC2=C(C=C1)CCNC2 F19187 [0,1,0,0,0,0|3,0,0]=4 61 B12R2.24 NC1=CC2=C(C=C1)CNCC2 51458 [0,1,0,0,0,0|3,0,0]=4 62 B12R2.24 NC1=CC2=C(C=C1)CNCC2 52057 [0,1,0,0,0,0|3,0,0]=4 63 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Y12467 [0,1,0,0,0,0|3,0,0]=4 64 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Y13365 [0,1,0,0,0,0|3,0,0]=4 65 B12R2.24 NC1=CC2=C(CCOC2)N=C1 72372 [0,1,0,0,0,0|2,0,0]=3 66 B12R2.24 NC1=CN=C2CCCCC2=C1 F30818 [0,1,0,0,0,0|1,0,0]=2 67 B12R2.24 NC1=CN=C2CCNCC2=C1 67454 [0,1,0,0,0,0|2,0,0]=3 68 B12R2.24 NC1=CN=C2CCNCC2=C1 FD7018 [0,1,0,0,0,0|2,0,0]=3 69 B12R2.24 NC1=NC=C2CCCCC2=C1 52994 [0,1,0,0,0,0|3,0,0]=4 70 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [0,1,0,0,0,0|3,0,0]=4 71 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [0,1,0,0,0,0|3,0,0]=4 72 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [0,1,0,0,0,0|3,0,0]=4 73 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [0,1,0,0,0,0|2,0,0]=3 74 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [0,1,0,0,0,0|2,0,0]=3 75 B12R2.24 O=C1C=CC2=C(CCNC2)N1 89007 [0,1,0,0,0,0|2,0,1]=4 76 B12R2.24 O=C1C=CC2=C(CCNC2)N1 C76139 [0,1,0,0,0,0|2,0,1]=4 77 B12R2.24 O=C1CCC2=C(C=NC=N2)C1 F52711 [0,1,0,0,0,0|2,0,1]=4 78 B12R2.24 O=C1CCC2=CC=CN=C2N1 66146 [0,1,0,0,0,0|2,0,1]=4 79 B12R2.24 OC1=CC2=C(C=C1)CCCO2 Y11632 [0,1,0,0,0,0|3,0,0]=4 80 B12R2.24 OC1=CC2=C(C=C1)CCNC2 S11181 [0,1,0,0,0,0|3,0,0]=4 81 B12R2.24 OC1=CC2=C(C=C1)CCOC2 Y13231 [0,1,0,0,0,0|3,0,0]=4 82 B12R2.24 OC1=CC2=C(C=C1)COCC2 N13209 [0,1,0,0,0,0|3,0,0]=4 83 B12R2.24 OC1=CC2=C(C=C1)OCCC2 N12986 [0,1,0,0,0,0|3,0,0]=4 84 B12R2.24 OC1=CN=C2CCNCC2=C1 S11487 [0,1,0,0,0,0|2,0,0]=3 85 B12R2.24 OC1=CN=C2CCNCC2=C1 SC1341 [0,1,0,0,0,0|2,0,0]=3 86 B12R2.24 OC1=NC2=C(C=N1)CNCC2 S10511 [0,1,0,0,0,0|3,0,0]=4 87 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [0,1,0,0,0,0|3,0,0]=4 88 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [0,1,0,0,0,0|3,0,0]=4 89 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [0,1,0,0,0,0|3,0,0]=4 90 B12R2.1081 BrC1=C2CCCCC2=CN=C1 84232 [0,1,0,0,0,0|3,0,0]=4 91 B12R2.1081 BrC1=C2CCCNC2=NC=C1 W14857 [0,1,0,0,0,0|2,0,0]=3 92 B12R2.1081 BrC1=C2CCCOC2=CC=C1 I11493 [0,1,0,0,0,0|3,0,0]=4 93 B12R2.1081 BrC1=C2CCOCC2=CC=C1 N13086 [0,1,0,0,0,0|3,0,0]=4 94 B12R2.1081 BrC1=C2CNCCC2=CC=C1 P10908 [0,1,0,0,0,0|3,0,0]=4 95 B12R2.1081 BrC1=C2COCCC2=CC=C1 72830 [0,1,0,0,0,0|3,0,0]=4 96 B12R2.1081 BrC1=C2NCCCC2=CC=C1 D82984 [0,1,0,0,0,0|3,0,0]=4 97 B12R2.1081 BrC1=C2OCCCC2=CC=C1 I11496 [0,1,0,0,0,0|3,0,0]=4 98 B12R2.1081 CC1=C2CCNCC2=NC=N1 SC1111 [0,1,0,0,0,0|3,0,0]=4 99 B12R2.1081 CC1=CC=CC2=C1CCCC2 N10858 [0,1,0,0,0,0|2,0,0]=3 100 B12R2.1081 CC1=CC=CC2=C1CCCO2 Y13226 [0,1,0,0,0,0|3,0,0]=4 101 B12R2.1081 CC1=CC=CC2=C1CCNC2 71743 [0,1,0,0,0,0|3,0,0]=4 102 B12R2.1081 CC1=CC=CC2=C1OCCC2 Y13223 [0,1,0,0,0,0|3,0,0]=4 103 B12R2.1081 CN1CCNC2=NC=CC=C21 D80285 [0,1,0,0,0,0|3,0,0]=4 104 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 36617 [0,1,0,0,0,0|3,0,0]=4 105 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 A10659 [0,1,0,0,0,0|3,0,0]=4 106 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 64901 [0,1,0,0,0,0|3,0,0]=4 107 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 72471 [0,1,0,0,0,0|3,0,0]=4 108 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 W10122 [0,1,0,0,0,0|3,0,0]=4 109 B12R2.1081 ClC1=C2CCCCC2=CC=C1 Y13222 [0,1,0,0,0,0|2,0,0]=3 110 B12R2.1081 ClC1=C2CCNCC2=CC=C1 F52623 [0,1,0,0,0,0|3,0,0]=4 111 B12R2.1081 ClC1=C2CNCCC2=CC=C1 24214 [0,1,0,0,0,0|3,0,0]=4 112 B12R2.1081 ClC1=C2NCCCC2=CC=C1 F16849 [0,1,0,0,0,0|3,0,0]=4 113 B12R2.1081 ClC1=C2NCCOC2=NC=C1 84595 [0,1,0,0,0,0|3,0,0]=4 114 B12R2.1081 ClC1=C2OCCCC2=CC=C1 N10904 [0,1,0,0,0,0|3,0,0]=4 115 B12R2.1081 ClC1=NC=NC2=C1COCC2 90975 [0,1,0,0,0,0|3,0,0]=4 116 B12R2.1081 FC1=C2CCCNC2=CC=C1 SC2341 [0,1,0,0,0,0|3,0,0]=4 117 B12R2.1081 FC1=C2CCCNC2=CC=C1 Y12021 [0,1,0,0,0,0|3,0,0]=4 118 B12R2.1081 FC1=C2CCNCC2=CC=C1 26908 [0,1,0,0,0,0|3,0,0]=4 119 B12R2.1081 FC1=C2CCNCC2=CC=C1 F13835 [0,1,0,0,0,0|3,0,0]=4 120 B12R2.1081 FC1=C2NCCCC2=CC=C1 N12833 [0,1,0,0,0,0|3,0,0]=4 121 B12R2.1081 FC1=C2OCCCC2=CC=C1 N11406 [0,1,0,0,0,0|3,0,0]=4 122 B12R2.1081 NC1=C2CNCCC2=CC=C1 81638 [0,1,0,0,0,0|3,0,0]=4 123 B12R2.1081 NC1=C2OCCCC2=CC=C1 N13184 [0,1,0,0,0,0|3,0,0]=4 124 B12R2.1081 NC1=CC=CC2=C1CCCN2 21021 [0,1,0,0,0,0|3,0,0]=4 125 B12R2.1081 NC1=CC=CC2=C1CCCO2 S11588 [0,1,0,0,0,0|3,0,0]=4 126 B12R2.1081 NC1=CC=CC2=C1CCCO2 S12176 [0,1,0,0,0,0|3,0,0]=4 127 B12R2.1081 NC1=NC=CC2=C1CCCC2 53695 [0,1,0,0,0,0|3,0,0]=4 128 B12R2.1081 N[C@H]1CCCC2=C1C=CN=C2 85239 [0,1,0,0,0,0|3,0,0]=4 129 B12R2.1081 N[C@H]1CCCC2=C1C=NC=C2 82163 [0,1,0,0,0,0|3,0,0]=4 130 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 50212 [0,1,0,0,0,0|1,0,0]=2 131 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 50215 [0,1,0,0,0,0|1,0,0]=2 132 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 RB3334 [0,1,0,0,0,0|1,0,0]=2 133 B12R2.1081 N[C@H]1CCCC2=NC=CC=C21 39151 [0,1,0,0,0,0|1,0,0]=2 134 B12R2.1081 N[C@H]1CCCC2=NC=CN=C21 O11320 [0,1,0,0,0,0|0,0,0]=1 135 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 C76564 [0,1,0,0,0,0|3,0,0]=4 136 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 F53442 [0,1,0,0,0,0|3,0,0]=4 137 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 71737 [0,1,0,0,0,0|3,0,0]=4 138 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 87775 [0,1,0,0,0,0|3,0,0]=4 139 B12R2.1081 N[C@H]1CCOC2=C1N=CC=C2 50286 [0,1,0,0,0,0|2,0,0]=3 140 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 52240 [0,1,0,0,0,0|3,0,0]=4 141 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 37330 [0,1,0,0,0,0|3,0,0]=4 142 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SC2561 [0,1,0,0,0,0|3,0,0]=4 143 B12R2.1081 O=C1CCOC2=CC=CN=C12 50250 [0,1,0,0,0,0|2,0,1]=4 144 B12R2.1081 O=C1NC=NC2=C1CCCN2 W19250 [0,1,0,0,0,0|3,0,0]=4 145 B12R2.1081 O=C1NC=NC2=C1CCNC2 SC3281 [0,1,0,0,0,0|3,0,0]=4 146 B12R2.1081 O=C1NC=NC2=C1CNCC2 SC3291 [0,1,0,0,0,0|3,0,0]=4 147 B12R2.1081 O=C1NC=NC2=C1COCC2 90974 [0,1,0,0,0,0|3,0,0]=4 148 B12R2.1081 O=C1NCCC2=C1C=CC=N2 78448 [0,1,0,0,0,0|2,0,1]=4 149 B12R2.1081 OC1=C2CCCCC2=NC=C1 C16516 [0,1,0,0,0,0|1,0,0]=2 150 B12R2.1081 OC1=C2CCCNC2=CC=C1 F30097 [0,1,0,0,0,0|3,0,0]=4 151 B12R2.1081 OC1=C2CCNCC2=CC=C1 71954 [0,1,0,0,0,0|3,0,0]=4 152 B12R2.1081 OC1=C2CCNCC2=CC=C1 D80201 [0,1,0,0,0,0|3,0,0]=4 153 B12R2.1081 OC1=C2CNCCC2=CC=C1 F19176 [0,1,0,0,0,0|3,0,0]=4 154 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [0,1,0,0,0,0|2,0,0]=3 155 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [0,1,0,0,0,0|2,0,0]=3 156 B12R2.1081 O[C@H]1CCCC2=C1C=CN=C2 53689 [0,1,0,0,0,0|3,0,0]=4 157 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 75128 [0,1,0,0,0,0|3,0,0]=4 158 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 A12066 [0,1,0,0,0,0|3,0,0]=4 159 B12R2.1081 O[C@H]1COCC2=C1C=CC=C2 N13051 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [0,0,1,0,0,0|3,0,0]=4 161 B10R1.4 CC1=CC=CN=C1CCN C80033 [0,0,1,0,0,0|2,0,0]=3 162 B10R1.4 CCNC1=CC=CN=C1N P19791 [0,0,1,0,0,0|3,0,0]=4 163 B10R1.4 CCOC1=CC=CN=C1F AC1769 [0,0,1,0,0,0|3,0,0]=4 164 B10R1.4 CCOC1=NC=CC=C1O 79061 [0,0,1,0,0,0|3,0,0]=4 165 B10R1.4 CCOC1=NC=CN=C1N 25986 [0,0,1,0,0,0|2,0,0]=3 166 B10R1.4 CNCC1=CC=CN=C1C AC2519 [0,0,1,0,0,0|2,0,0]=3 167 B10R1.4 N#CCC1=NC=CN=C1Cl 38700 [0,0,1,0,0,0|2,0,1]=4 168 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [0,0,1,0,0,0|3,0,0]=4 169 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [0,0,1,0,0,0|3,0,0]=4 170 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [0,0,1,0,0,0|3,0,0]=4 171 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [0,0,1,0,0,0|3,0,0]=4 172 B10R1.17 CCCOC1=CC=CC=C1 C75927 [0,0,1,0,0,0|3,0,0]=4 173 B10R1.17 CCNCC1=CC=CC=C1 D77748 [0,0,1,0,0,0|3,0,0]=4 174 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [0,0,1,0,0,0|2,0,0]=3 175 B10R1.17 CNNCC1=CC=CN=C1 30189 [0,0,1,0,0,0|3,0,0]=4 176 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [0,0,1,0,0,0|3,0,0]=4 177 B10R1.17 NCCCC1=CC=CN=C1 31799 [0,0,1,0,0,0|2,0,0]=3 178 B10R1.17 OCCOC1=CN=CC=C1 D86242 [0,0,1,0,0,0|3,0,0]=4 179 B10R1.20 COC1=C(CBr)C=CC=N1 55281 [0,0,1,0,0,0|3,0,0]=4 180 B10R1.20 COC1=C(CN)N=CC=C1 AC6429 [0,0,1,0,0,0|3,0,0]=4 181 B10R1.20 COC1=C(CN)N=CC=C1 D94536 [0,0,1,0,0,0|3,0,0]=4 182 B10R1.20 COC1=C(CO)N=CC=C1 F17518 [0,0,1,0,0,0|3,0,0]=4 183 B10R1.20 COC1=CC=CN=C1CBr O10505 [0,0,1,0,0,0|3,0,0]=4 184 B10R1.20 COC1=CC=CN=C1CCl 60117 [0,0,1,0,0,0|3,0,0]=4 185 B10R1.20 COC1=NC=CC=C1CN 37576 [0,0,1,0,0,0|3,0,0]=4 186 B10R1.20 COC1=NC=CN=C1NN C74005 [0,0,1,0,0,0|3,0,0]=4 187 B10R1.20 COC1=NC=CN=C1OC 21131 [0,0,1,0,0,0|2,0,0]=3 188 B10R1.20 OCC1=CC=CN=C1CO 75308 [0,0,1,0,0,0|3,0,0]=4 189 B10R1.20 OCC1=CC=CN=C1CO S11918 [0,0,1,0,0,0|3,0,0]=4 190 B10R2.7 C1=C2CNCCC2=NO1 C13955 [0,0,0,0,1,0|2,0,0]=3 191 B10R2.7 C1=C2CNCCN2N=N1 30480 [0,0,0,0,1,0|3,0,0]=4 192 B10R2.7 C1=C2CNCCN2N=N1 30692 [0,0,0,0,1,0|3,0,0]=4 193 B10R2.7 C1=C2NCCCC2=NN1 SC1101 [0,0,0,0,1,0|2,0,0]=3 194 B10R2.7 C1=CC2=C(CCCC2)N1 P10023 [0,0,0,0,1,0|0,0,1]=2 195 B10R2.7 C1=CC2=C(CCCC2)S1 AC8430 [0,0,0,0,1,0|1,0,0]=2 196 B10R2.7 C1=CC2=C(CCNC2)N1 32435 [0,0,0,0,1,0|1,0,1]=3 197 B10R2.7 C1=CC2=C(CCNC2)O1 31880 [0,0,0,0,1,0|2,0,0]=3 198 B10R2.7 C1=CC2=C(CNCC2)S1 SC1001 [0,0,0,0,1,0|2,0,0]=3 199 B10R2.7 C1=CN2CCCNC2=N1 83099 [0,0,0,0,1,0|2,0,0]=3 200 B10R2.7 C1=CN2CCNCC2=C1 50896 [0,0,0,0,1,0|3,0,0]=4 201 B10R2.7 C1=CN=C2CCNC2=C1 70854 [0,0,0,0,1,0|2,0,0]=3 202 B10R2.7 C1=CN=C2CNCC2=C1 83068 [0,0,0,0,1,0|2,0,0]=3 203 B10R2.7 C1=CN=C2CNCC2=C1 SC3341 [0,0,0,0,1,0|2,0,0]=3 204 B10R2.7 C1=CN=C2CNCC2=N1 50637 [0,0,0,0,1,0|1,0,0]=2 205 B10R2.7 C1=CN=C2NN=CC2=N1 27786 [0,0,0,0,1,0|2,0,1]=4 206 B10R2.7 C1=NC2=C(CCNC2)S1 D82657 [0,0,0,0,1,0|2,0,0]=3 207 B10R2.7 C1=NC2=C(CNCC2)S1 70887 [0,0,0,0,1,0|2,0,0]=3 208 B10R2.7 C1=NC=C2CNCC2=N1 27191 [0,0,0,0,1,0|3,0,0]=4 209 B10R2.7 C1=NC=C2CNCC2=N1 83076 [0,0,0,0,1,0|3,0,0]=4 210 B10R2.7 C1=NC=C2CNCC2=N1 SC2921 [0,0,0,0,1,0|3,0,0]=4 211 B10R2.7 C1=NN2CCCCC2=C1 P18739 [0,0,0,0,1,0|1,0,0]=2 212 B10R2.7 C1=NN2CCNCC2=C1 P16090 [0,0,0,0,1,0|2,0,0]=3 213 B10R2.7 C1=NN2CCNCC2=C1 W18650 [0,0,0,0,1,0|2,0,0]=3 214 B10R2.7 C1=NN=C2CCCCN12 W10690 [0,0,0,0,1,0|2,0,0]=3 215 B10R2.7 C1=NN=C2CNCCN12 25720 [0,0,0,0,1,0|3,0,0]=4 216 B10R2.7 C1=NNC2=C1CCNC2 51366 [0,0,0,0,1,0|2,0,1]=4 217 B10R2.7 C1=NNC2=C1CCNC2 SC2391 [0,0,0,0,1,0|2,0,1]=4 218 B10R2.7 C1=NNC2=C1NCCC2 51367 [0,0,0,0,1,0|2,0,1]=4 219 B10R2.7 C1=NNC2=C1NCCC2 83066 [0,0,0,0,1,0|2,0,1]=4 220 B12R2.41 C1=CC2=C(C=C1)CCNCC2 52717 [0,0,0,0,0,1|2,0,0]=3 221 B12R2.41 C1=CC2=C(C=C1)NCCCC2 W18982 [0,0,0,0,0,1|2,0,0]=3 222 B12R2.41 C1=CC2=C(C=C1)OCCCN2 VT1052 [0,0,0,0,0,1|3,0,0]=4 223 B12R2.41 C1=CC2=C(C=C1)OCCNC2 C73376 [0,0,0,0,0,1|3,0,0]=4 224 B12R2.41 C1=CC2=C(C=C1)SCCNC2 52662 [0,0,0,0,0,1|3,0,0]=4 225 B9R1.8 CCNC1=CC=CN=C1 C15578 [1,0,1,0,0,0|2,0,0]=4 226 B9R1.8 N#CCC1=NC=CN=C1 50051 [1,0,1,0,0,0|1,0,1]=4 227 B9R1.8 NCCC1=NC=CN=C1 AR1061 [1,0,1,0,0,0|1,0,0]=3 228 B9R1.8 NNCC1=NC=CN=C1 37235 [1,0,1,0,0,0|2,0,0]=4 229 B9R1.15 C#CC1=NC=CN=C1C 79091 [1,0,1,0,0,0|0,0,2]=4 230 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [1,0,1,0,0,0|2,0,0]=4 231 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [1,0,1,0,0,0|2,0,0]=4 232 B9R1.15 CC1=CC=CN=C1CN C72913 [1,0,1,0,0,0|2,0,0]=4 233 B9R1.15 CC1=NC=CC=C1CN 72802 [1,0,1,0,0,0|2,0,0]=4 234 B9R1.15 CC1=NC=CC=C1CN AB7634 [1,0,1,0,0,0|2,0,0]=4 235 B9R1.15 CC1=NC=CN=C1C=O 30985 [1,0,1,0,0,0|1,0,1]=4 236 B9R1.15 CC1=NC=CN=C1CCl P11784 [1,0,1,0,0,0|1,0,0]=3 237 B9R1.15 CC1=NC=CN=C1CN E70300 [1,0,1,0,0,0|1,0,0]=3 238 B9R1.15 CC1=NC=CN=C1CN P19746 [1,0,1,0,0,0|1,0,0]=3 239 B9R1.15 CC1=NC=CN=C1CO P10784 [1,0,1,0,0,0|1,0,0]=3 240 B9R1.15 CC1=NC=CN=C1NN BL010270 [1,0,1,0,0,0|2,0,0]=4 241 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [1,0,1,0,0,0|2,0,0]=4 242 B9R1.15 CCC1=C(O)C=CC=N1 71246 [1,0,1,0,0,0|2,0,0]=4 243 B9R1.15 CCC1=CC=CN=C1Br D80252 [1,0,1,0,0,0|2,0,0]=4 244 B9R1.15 CCC1=CC=CN=C1N 55791 [1,0,1,0,0,0|2,0,0]=4 245 B9R1.15 CCC1=NC=CN=C1N RB3385 [1,0,1,0,0,0|1,0,0]=3 246 B9R1.15 CCC1=NC=CNC1=O S12194 [1,0,1,0,0,0|1,0,1]=4 247 B9R1.15 CNC1=NC=CN=C1N 25161 [1,0,1,0,0,0|2,0,0]=4 248 B9R1.15 COC1=NC=CC=C1C C73664 [1,0,1,0,0,0|2,0,0]=4 249 B9R1.15 COC1=NC=CN=C1Br 27717 [1,0,1,0,0,0|2,0,0]=4 250 B9R1.15 NCC1=NC=CN=C1N AB3037 [1,0,1,0,0,0|2,0,0]=4 251 B9R1.15 O=CC1=C(Br)CCCC1 AC9040 [1,0,1,0,0,0|2,0,0]=4 252 B9R1.15 O=CC1=C(Cl)CCCC1 31222 [1,0,1,0,0,0|2,0,0]=4 253 B9R1.15 OCC1=NC=CN=C1Cl 80497 [1,0,1,0,0,0|2,0,0]=4 254 B11R1.41 COC1=C(CCO)N=CC=C1 52931 [0,1,1,0,0,0|2,0,0]=4 255 B11R1.81 CCOC1=C(C)N=C(N)C=C1 O11421 [0,1,1,0,0,0|2,0,0]=4 256 B11R1.86 CC1=NC=CN=C1OC(C)C T73088 [0,1,1,0,0,0|1,0,0]=3 257 B11R1.182 CCOC1=C(N)N=CC(Br)=N1 25162 [0,1,1,0,0,0|2,0,0]=4 258 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 20083 [0,1,1,0,0,0|2,0,0]=4 259 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 F16885 [0,1,1,0,0,0|2,0,0]=4 260 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10518 [0,1,1,0,0,0|2,0,0]=4 261 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10519 [0,1,1,0,0,0|2,0,0]=4 262 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 Y10722 [0,1,1,0,0,0|2,0,0]=4 263 B11R1.222 CC[C@H](N)C1=NC=CC=C1C Y11607 [0,1,1,0,0,0|1,0,0]=3 264 B11R1.1 CC1=NC=C(CCCN)C=C1 73040 [0,1,1,0,0,0|2,0,0]=4 265 B11R1.1 CCNCC1=CN=C(Cl)C=C1 F11983 [0,1,1,0,0,0|2,0,0]=4 266 B11R1.1 CCOCC1=CN=C(Cl)C=C1 D73333 [0,1,1,0,0,0|2,0,0]=4 267 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [0,1,1,0,0,0|1,0,1]=4 268 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [0,1,1,0,0,0|1,0,1]=4 269 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [0,1,1,0,0,0|2,0,0]=4 270 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [0,1,1,0,0,0|2,0,0]=4 271 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [0,1,1,0,0,0|2,0,0]=4 272 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 C74027 [0,1,1,0,0,0|2,0,0]=4 273 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [0,1,1,0,0,0|2,0,0]=4 274 B11R1.24 CCCCC1=CC=CC(N)=N1 78400 [0,1,1,0,0,0|1,0,0]=3 275 B11R1.24 CCCOC1=NC(C)=CN=C1 C76147 [0,1,1,0,0,0|1,0,0]=3 276 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [0,1,1,0,0,0|1,0,0]=3 277 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [0,1,1,0,0,0|1,0,0]=3 278 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [0,1,1,0,0,0|2,0,0]=4 279 B11R1.28 O=CCCCC1=CN=CC=C1 P16929 [0,1,1,0,0,0|1,0,1]=4 280 B11R1.28 OCCCCC1=NC=CC=C1 30660 [0,1,1,0,0,0|1,0,0]=3 281 B11R1.40 N[C@H](CO)CC1=NC=CC=C1 Y13025 [0,1,1,0,0,0|2,0,0]=4 282 B11R1.91 CC(C)CCC1=NC=CN=C1 A12502 [0,1,1,0,0,0|0,0,0]=2 283 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [0,1,1,0,0,0|2,0,0]=4 284 B11R1.53 CC(C)C1=CC=CN=C1CCl D80268 [0,1,1,0,0,0|2,0,0]=4 285 B11R1.53 CC(C)C1=CC=CN=C1CO D83406 [0,1,1,0,0,0|2,0,0]=4 286 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y11921 [0,1,1,0,0,0|2,0,0]=4 287 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y11922 [0,1,1,0,0,0|2,0,0]=4 288 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y12590 [0,1,1,0,0,0|2,0,0]=4 289 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y12977 [0,1,1,0,0,0|2,0,0]=4 290 B11R1.53 COC1=NC=CC=C1[C@H](C)N Y12492 [0,1,1,0,0,0|2,0,0]=4 291 B11R1.53 COC1=NC=CC=C1[C@H](C)O CS1968 [0,1,1,0,0,0|2,0,0]=4 292 B11R2.1 BrC1=C2COCCN2N=C1 P20387 [0,1,0,0,1,0|2,0,0]=4 293 B11R2.1 BrC1=CN=C2CNCCN12 P18981 [0,1,0,0,1,0|2,0,0]=4 294 B11R2.1 BrC1=CN=C2CNCCN12 SC1461 [0,1,0,0,1,0|2,0,0]=4 295 B11R2.1 BrC1=CSC2=C1CNCC2 P15368 [0,1,0,0,1,0|2,0,0]=4 296 B11R2.1 BrC1=NN=C2CCCCN12 32523 [0,1,0,0,1,0|2,0,0]=4 297 B11R2.1 BrC1=NNC2=C1CCCC2 P11498 [0,1,0,0,1,0|1,0,1]=4 298 B11R2.1 CN1C=NC2=C1CCNC2 S11242 [0,1,0,0,1,0|1,0,1]=4 299 B11R2.1 CN1C=NC2=C1CCNC2 W17908 [0,1,0,0,1,0|1,0,1]=4 300 B11R2.1 ClC1=NNC2=C1CCCC2 C13846 [0,1,0,0,1,0|1,0,1]=4 301 B11R2.1 NC1=C2CCCCC2=NO1 A11999 [0,1,0,0,1,0|1,0,0]=3 302 B11R2.1 NC1=NNC2=C1CCCC2 32637 [0,1,0,0,1,0|1,0,1]=4 303 B11R2.1 NC1=NOC2=C1CCCC2 AT25039 [0,1,0,0,1,0|2,0,0]=4 304 B11R2.1 N[C@H]1CCC2=CC=CN=C21 H10539 [0,1,0,0,1,0|1,0,0]=3 305 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [0,1,0,0,1,0|1,0,0]=3 306 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [0,1,0,0,1,0|1,0,0]=3 307 B11R2.1 O=C1NCC2=NC=CN=C12 AT22460 [0,1,0,0,1,0|1,0,1]=4 308 B11R2.1 O=C1NCC2=NC=CN=C12 P20256 [0,1,0,0,1,0|1,0,1]=4 309 B11R2.1 OC1=C2CNCCC2=NN1 83192 [0,1,0,0,1,0|2,0,0]=4 310 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [0,1,0,0,1,0|2,0,0]=4 311 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [0,1,0,0,1,0|1,0,0]=3 312 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [0,1,0,0,1,0|1,0,0]=3 313 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [0,1,0,0,1,0|1,0,0]=3 314 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [0,1,0,0,1,0|1,0,0]=3 315 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [0,1,0,0,1,0|1,0,0]=3 316 B11R2.1 O[C@H]1COC2=NC=CC=C21 D97315 [0,1,0,0,1,0|2,0,0]=4 317 B11R2.10 BrC1=CC2=C(CCNC2)S1 FD10590 [0,1,0,0,1,0|2,0,0]=4 318 B11R2.10 BrC1=CN2CCOCC2=N1 C77444 [0,1,0,0,1,0|2,0,0]=4 319 B11R2.10 CC1=CN2CCNCC2=N1 53157 [0,1,0,0,1,0|2,0,0]=4 320 B11R2.10 CC1=NC2=C(CCNC2)N1 36639 [0,1,0,0,1,0|1,0,1]=4 321 B11R2.10 CC1=NC2=C(CNCC2)N1 C71507 [0,1,0,0,1,0|1,0,1]=4 322 B11R2.10 CC1=NN2CCNCC2=N1 W12671 [0,1,0,0,1,0|2,0,0]=4 323 B11R2.10 ClC1=NC2=C(CCCC2)S1 W18639 [0,1,0,0,1,0|1,0,0]=3 324 B11R2.10 NC1=CC2=C(CCCC2)S1 C71806 [0,1,0,0,1,0|1,0,0]=3 325 B11R2.10 SC1=NC2=C(CCCC2)S1 W10681 [0,1,0,0,1,0|1,0,0]=3 326 B11R2.36 BrC1=CC2=C(C=C1)CCC2 Y10449 [0,1,0,0,1,0|2,0,0]=4 327 B11R2.36 BrC1=CN=C2CCCC2=C1 81986 [0,1,0,0,1,0|1,0,0]=3 328 B11R2.36 BrC1=CN=C2CNCC2=C1 38863 [0,1,0,0,1,0|2,0,0]=4 329 B11R2.36 BrC1=CN=C2CNCC2=C1 68941 [0,1,0,0,1,0|2,0,0]=4 330 B11R2.36 BrC1=NC2=C(C=C1)NCC2 C72057 [0,1,0,0,1,0|2,0,0]=4 331 B11R2.36 CC1=CC2=C(C=C1)CCC2 Y11729 [0,1,0,0,1,0|2,0,0]=4 332 B11R2.36 CN1CCC2=C(C1)NC=N2 C77154 [0,1,0,0,1,0|1,0,1]=4 333 B11R2.36 CN1CCN2C=CN=C2C1 W10692 [0,1,0,0,1,0|2,0,0]=4 334 B11R2.36 C[C@H]1CN2N=CC=C2CN1 C90721 [0,1,0,0,1,0|2,0,0]=4 335 B11R2.36 ClC1=CC2=C(C=C1)CCC2 N12723 [0,1,0,0,1,0|2,0,0]=4 336 B11R2.36 ClC1=CN=C2NCCC2=C1 C71466 [0,1,0,0,1,0|2,0,0]=4 337 B11R2.36 ClC1=NC2=C(C=C1)CCO2 D78959 [0,1,0,0,1,0|2,0,0]=4 338 B11R2.36 ClC1=NC2=C(C=C1)CNC2 FD7109 [0,1,0,0,1,0|2,0,0]=4 339 B11R2.36 ClC1=NC2=C(C=C1)CNC2 P12647 [0,1,0,0,1,0|2,0,0]=4 340 B11R2.36 ClC1=NC2=C(C=N1)CCC2 P18611 [0,1,0,0,1,0|2,0,0]=4 341 B11R2.36 FC1=CN=C2CNCC2=C1 P12657 [0,1,0,0,1,0|2,0,0]=4 342 B11R2.36 FC1=CN=C2NCCC2=C1 P20984 [0,1,0,0,1,0|2,0,0]=4 343 B11R2.36 N[C@H]1CCC2=C(C=NN2)C1 32305 [0,1,0,0,1,0|1,0,1]=4 344 B11R2.36 N[C@H]1CCC2=C(C=NN2)C1 52158 [0,1,0,0,1,0|1,0,1]=4 345 B11R2.36 N[C@H]1CCC2=C(C=NN2)C1 P17826 [0,1,0,0,1,0|1,0,1]=4 346 B11R2.36 O=C1C=CC2=C(CCC2)N1 83506 [0,1,0,0,1,0|1,0,1]=4 347 B11R2.36 O=C1CCC2=C(C1)SC=N2 N13364 [0,1,0,0,1,0|1,0,1]=4 348 B11R2.36 O[C@H]1CCC2=NC=CN2C1 I10038 [0,1,0,0,1,0|1,0,0]=3 349 B11R2.36 O[C@H]1CCN2C=CN=C2C1 D80225 [0,1,0,0,1,0|1,0,0]=3 350 B11R2.106 BrC1=C2CCCC2=CC=C1 38090 [0,1,0,0,1,0|2,0,0]=4 351 B11R2.106 CC1=C2CCCC2=CC=C1 Y11654 [0,1,0,0,1,0|2,0,0]=4 352 B11R2.106 C[C@H]1CCNC2=CC=NN21 F53177 [0,1,0,0,1,0|2,0,0]=4 353 B11R2.106 ClC1=C2CCCC2=NC=C1 85955 [0,1,0,0,1,0|1,0,0]=3 354 B11R2.106 ClC1=C2CCNC2=NC=C1 P15393 [0,1,0,0,1,0|2,0,0]=4 355 B11R2.106 FC1=C2CCCC2=CC=C1 Y12594 [0,1,0,0,1,0|2,0,0]=4 356 B11R2.106 IC1=C2CCCC2=CC=C1 N13267 [0,1,0,0,1,0|2,0,0]=4 357 B11R2.106 IC1=C2CCNC2=NC=C1 P20936 [0,1,0,0,1,0|2,0,0]=4 358 B11R2.106 IC1=C2CCOC2=NC=C1 P16092 [0,1,0,0,1,0|2,0,0]=4 359 B11R2.106 NC1=C2CCCC2=NC=C1 27386 [0,1,0,0,1,0|1,0,0]=3 360 B11R2.106 NC1=C2CCOC2=NC=C1 97229 [0,1,0,0,1,0|2,0,0]=4 361 B11R2.106 N[C@H]1CCCC2=C1NN=C2 33332 [0,1,0,0,1,0|1,0,1]=4 362 B11R2.106 N[C@H]1CCCN2N=CN=C12 P18183 [0,1,0,0,1,0|1,0,0]=3 363 B11R2.106 O=C1CCCC2=C1OC=C2 W11588 [0,1,0,0,1,0|1,0,1]=4 364 B11R2.106 O=C1CCCC2=C1SC=N2 C77218 [0,1,0,0,1,0|1,0,1]=4 365 B11R2.106 O=C1CCCC2=CC=NN12 56886 [0,1,0,0,1,0|1,0,1]=4 366 B11R2.106 O=C1CCCN2N=CC=C12 C73751 [0,1,0,0,1,0|1,0,1]=4 367 B11R2.106 O=C1NC=NC2=C1CCC2 25765 [0,1,0,0,1,0|2,0,0]=4 368 B11R2.106 O[C@H]1CCCC2=C1C=CO2 D79428 [0,1,0,0,1,0|1,0,0]=3 369 B13R2.163 O=C1CCCC2=CC=CN=C2N1 C76110 [0,1,0,0,0,1|1,0,1]=4 370 B13R2.3729 BrC1=CC2=C(C=C1)CCCCN2 C73896 [0,1,0,0,0,1|2,0,0]=4 371 B13R2.3729 BrC1=CC2=C(C=C1)CCCNC2 51213 [0,1,0,0,0,1|2,0,0]=4 372 B13R2.3729 ClC1=CC2=C(C=C1)NCCCC2 C15554 [0,1,0,0,0,1|2,0,0]=4 373 B13R2.4820 BrC1=C2CCCCNC2=CC=C1 69218 [0,1,0,0,0,1|2,0,0]=4 374 B13R2.5252 N[C@H]1CCCCC2=C1C=CC=C2 20645 [0,1,0,0,0,1|2,0,0]=4 375 B13R2.5252 N[C@H]1CCCOC2=C1C=CC=C2 Y10940 [0,1,0,0,0,1|2,0,0]=4 376 B13R2.5252 O[C@H]1CCCOC2=C1C=CC=C2 A12238 [0,1,0,0,0,1|2,0,0]=4 377 B13R2.32 NC1CCC2=C(C=CC=C2)C1O I10525 [0,2,0,0,0,0|2,0,0]=4 378 B13R2.32 N[C@@H]1C2=C(C=CC=C2)CC[C@H]1O V10228 [0,2,0,0,0,0|2,0,0]=4 379 B13R2.57 N#CC1=CN=C2CCCCC2=C1 D96463 [0,2,0,0,0,0|1,0,0]=3 380 B13R2.57 N#CC1=NC2=C(C=C1)CCCC2 F17116 [0,2,0,0,0,0|1,0,0]=3 381 B13R2.57 OCC1=CC2=C(C=C1)CCCC2 N14351 [0,2,0,0,0,0|2,0,0]=4 382 B13R2.155 CN1CCC2=NC=C(N)C=C2C1 34303 [0,2,0,0,0,0|2,0,0]=4 383 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 AB10494 [0,2,0,0,0,0|2,0,0]=4 384 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 F14427 [0,2,0,0,0,0|2,0,0]=4 385 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 N10462 [0,2,0,0,0,0|2,0,0]=4 386 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 Y10675 [0,2,0,0,0,0|2,0,0]=4 387 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N F16916 [0,2,0,0,0,0|2,0,0]=4 388 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N I11947 [0,2,0,0,0,0|2,0,0]=4 389 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N I11948 [0,2,0,0,0,0|2,0,0]=4 390 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N N10490 [0,2,0,0,0,0|2,0,0]=4 391 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N N13165 [0,2,0,0,0,0|2,0,0]=4 392 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 33471 [0,2,0,0,0,0|2,0,0]=4 393 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 F16987 [0,2,0,0,0,0|2,0,0]=4 394 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 I10660 [0,2,0,0,0,0|2,0,0]=4 395 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 N11010 [0,2,0,0,0,0|2,0,0]=4 396 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 Y10698 [0,2,0,0,0,0|2,0,0]=4 397 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 Y11204 [0,2,0,0,0,0|2,0,0]=4 398 B13R2.162 N[C@H]1CCCC2=C1C=C(Cl)C=C2 74742 [0,2,0,0,0,0|2,0,0]=4 399 B13R2.162 N[C@H]1CCCC2=C1C=C(Cl)C=C2 Y13381 [0,2,0,0,0,0|2,0,0]=4 400 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 I11949 [0,2,0,0,0,0|2,0,0]=4 401 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 N13163 [0,2,0,0,0,0|2,0,0]=4 402 B13R2.162 O=C1CCCC2=C1C=C(O)C=N2 F18586 [0,2,0,0,0,0|1,0,1]=4 403 B13R2.162 O=C1CCCC2=C1N=C(Cl)C=C2 50032 [0,2,0,0,0,0|1,0,1]=4 404 B13R2.162 O=C1CCCC2=NC=C(Cl)C=C12 C72148 [0,2,0,0,0,0|1,0,1]=4 405 B13R2.328 CC1=CC(C)=C2CCCNC2=N1 AC2028 [0,2,0,0,0,0|2,0,0]=4 406 B13R2.328 ClC1=CC(Cl)=NC2=C1CCCC2 39107 [0,2,0,0,0,0|1,0,0]=3 407 B13R2.328 FC1=CC(F)=C2CCCCC2=C1 Y13362 [0,2,0,0,0,0|2,0,0]=4 408 B13R2.328 O=C1C=C(O)C2=C(CCCC2)N1 P11598 [0,2,0,0,0,0|1,0,1]=4 409 B13R2.369 O=C1NC2=C(CCCC2)N=C1Br D96656 [0,2,0,0,0,0|0,0,1]=3 410 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 20174 [0,2,0,0,0,0|2,0,0]=4 411 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 S11530 [0,2,0,0,0,0|2,0,0]=4 412 B13R2.3683 N[C@H]1CCC2=C(C=CC(Cl)=C2)C1 20172 [0,2,0,0,0,0|2,0,0]=4 413 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11723 [0,2,0,0,0,0|2,0,0]=4 414 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11805 [0,2,0,0,0,0|2,0,0]=4 415 B13R2.3683 O[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11724 [0,2,0,0,0,0|2,0,0]=4 416 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 I11951 [0,2,0,0,0,0|2,0,0]=4 417 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 I11952 [0,2,0,0,0,0|2,0,0]=4 418 B13R2.5179 N[C@H]1CCC2=C(O)C=CC=C2C1 D85475 [0,2,0,0,0,0|2,0,0]=4 419 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 67304 [0,2,0,0,0,0|2,0,0]=4 420 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 D81338 [0,2,0,0,0,0|2,0,0]=4 421 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y10359 [0,2,0,0,0,0|2,0,0]=4 422 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y12097 [0,2,0,0,0,0|2,0,0]=4 423 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 I11879 [0,2,0,0,0,0|2,0,0]=4 424 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 N10533 [0,2,0,0,0,0|2,0,0]=4 425 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 N11392 [0,2,0,0,0,0|2,0,0]=4 426 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 Y10726 [0,2,0,0,0,0|2,0,0]=4 427 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 Y10727 [0,2,0,0,0,0|2,0,0]=4 428 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 Y10728 [0,2,0,0,0,0|2,0,0]=4 429 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I10625 [0,2,0,0,0,0|2,0,0]=4 430 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I10731 [0,2,0,0,0,0|2,0,0]=4 431 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I11877 [0,2,0,0,0,0|2,0,0]=4 432 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 N13115 [0,2,0,0,0,0|2,0,0]=4 433 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 I10881 [0,2,0,0,0,0|2,0,0]=4 434 B13R2.5179 O=C1CCCC2=CC(Br)=CN=C12 55100 [0,2,0,0,0,0|1,0,1]=4 435 B13R2.5179 O[C@H]1CCCC2=C1C=CC(F)=C2 N12651 [0,2,0,0,0,0|2,0,0]=4 436 B13R2.5179 O[C@H]1CCCC2=CC(Br)=CN=C21 D78988 [0,2,0,0,0,0|1,0,0]=3 437 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N N11006 [0,2,0,0,0,0|2,0,0]=4 438 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N N11007 [0,2,0,0,0,0|2,0,0]=4 439 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N Y11342 [0,2,0,0,0,0|2,0,0]=4 440 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N Y13380 [0,2,0,0,0,0|2,0,0]=4 441 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 F16968 [0,2,0,0,0,0|2,0,0]=4 442 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 I10659 [0,2,0,0,0,0|2,0,0]=4 443 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 I10755 [0,2,0,0,0,0|2,0,0]=4 444 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 Y10699 [0,2,0,0,0,0|2,0,0]=4 445 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 Y11052 [0,2,0,0,0,0|2,0,0]=4 446 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10392 [0,2,0,0,0,0|2,0,0]=4 447 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10723 [0,2,0,0,0,0|2,0,0]=4 448 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10724 [0,2,0,0,0,0|2,0,0]=4 449 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10818 [0,2,0,0,0,0|2,0,0]=4 450 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10819 [0,2,0,0,0,0|2,0,0]=4 451 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 N10491 [0,2,0,0,0,0|2,0,0]=4 452 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 N11008 [0,2,0,0,0,0|2,0,0]=4 453 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y10882 [0,2,0,0,0,0|2,0,0]=4 454 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y10920 [0,2,0,0,0,0|2,0,0]=4 455 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y11819 [0,2,0,0,0,0|2,0,0]=4 456 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y12018 [0,2,0,0,0,0|2,0,0]=4 457 B13R2.342 O[C@H]1CCCC2=C(Br)C=CC=C21 32335 [0,2,0,0,0,0|2,0,0]=4 458 B13R2.371 FC1=C2CCCCC2=C(Br)C=C1 D81541 [0,2,0,0,0,0|2,0,0]=4 459 B13R2.1613 BrCC1=C2CCCCC2=CC=C1 32180 [0,2,0,0,0,0|2,0,0]=4 460 B13R2.1613 COC1=C2CCCCC2=CC=C1 72829 [0,2,0,0,0,0|2,0,0]=4 461 B13R2.1613 NC[C@H]1CCCC2=C1C=CC=C2 P19863 [0,2,0,0,0,0|2,0,0]=4 462 B13R2.1613 NC[C@H]1CCCC2=C1C=CC=C2 P19864 [0,2,0,0,0,0|2,0,0]=4 463 B13R2.1613 O=C[C@@H]1CCCC2=C1C=CC=C2 F13198 [0,2,0,0,0,0|2,0,0]=4 464 B13R2.1613 OCC1=C2CCCCC2=CC=C1 36389 [0,2,0,0,0,0|2,0,0]=4 465 B13R2.4818 N[C@H]1CCCC2=CC=CC(F)=C21 Y10845 [0,2,0,0,0,0|2,0,0]=4 466 B11R2.55 BrC1=C(C2CC2)N=CC=C1 AC7391 [0,0,1,1,0,0|2,0,0]=4 467 B11R2.55 BrC1=NC=CC=C1C2CC2 O10674 [0,0,1,1,0,0|2,0,0]=4 468 B11R2.55 ClC1=NC=CC=C1C2CC2 C76816 [0,0,1,1,0,0|2,0,0]=4 469 B11R2.55 ClC1=NC=CN=C1C2CC2 96959 [0,0,1,1,0,0|1,0,0]=3 470 B11R2.55 FC1=NC=CC=C1C2CC2 F16374 [0,0,1,1,0,0|2,0,0]=4 471 B11R2.55 NC1=NC=CC=C1C2CC2 92679 [0,0,1,1,0,0|2,0,0]=4 472 B11R2.239 C1=CN=C(C2CNC2)C=C1 85626 [0,0,1,1,0,0|2,0,0]=4 473 B11R2.239 C1=CN=CC(C2CNC2)=C1 84095 [0,0,1,1,0,0|2,0,0]=4 474 B13R3.28 C1=CC2=C(C=C1)C3CC3CN2 VT1312 [0,0,0,1,0,1|2,0,0]=4 475 B13R3.1962 C1=CC2=C(C=C1)C3CCC2N3 D72047 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.33 CC1=C(CCCl)SC=N1 30040 [0,0,1,0,1,0|2,0,0]=4 477 B9R1.33 CC1=C(CCN)SC=N1 W16954 [0,0,1,0,1,0|2,0,0]=4 478 B9R1.33 CC1=C(CCO)N=CS1 C74944 [0,0,1,0,1,0|2,0,0]=4 479 B9R1.33 CC1=C(CCO)SC=N1 D77790 [0,0,1,0,1,0|2,0,0]=4 480 B9R1.33 CN1C=CN=C1CCCl D79294 [0,0,1,0,1,0|2,0,0]=4 481 B9R1.33 CNCC1=CC=NN1C AT14309 [0,0,1,0,1,0|2,0,0]=4 482 B9R1.12 CCNCC1=CC=CO1 C77903 [0,0,1,0,1,0|2,0,0]=4 483 B9R1.12 ClCCCN1C=CC=N1 72556 [0,0,1,0,1,0|2,0,0]=4 484 B9R1.12 NCCCC1=NC=CN1 F10427 [0,0,1,0,1,0|1,0,1]=4 485 B9R1.12 NCCCN1C=NC=N1 BL003074 [0,0,1,0,1,0|2,0,0]=4 486 B9R1.12 OCCCC1=CNC=N1 12540 [0,0,1,0,1,0|1,0,1]=4 487 B9R1.12 OCCCC1=CSC=C1 32572 [0,0,1,0,1,0|2,0,0]=4 488 B9R2.3 C1=NC2=C(CNC2)S1 50602 [0,0,0,0,2,0|2,0,0]=4 489 B9R2.3 C1=NN2CCCC2=C1 O11325 [0,0,0,0,2,0|1,0,0]=3 490 B9R2.3 C1=NN2CCCC2=N1 F30286 [0,0,0,0,2,0|1,0,0]=3 491 B9R2.3 C1=NN2CCNC2=C1 W18662 [0,0,0,0,2,0|2,0,0]=4 492 B13R2.67 C1=CC2=C(C=C1)NCCCCC2 91524 [0,0,0,0,0,2|2,0,0]=4 493 B13R2.67 C1=CC2=C(C=C1)NCCCNC2 C72386 [0,0,0,0,0,2|2,0,0]=4