0 B11R2.20 C1=CC2=C(C=C1)CCC=C2 Z237493310 [0,0,0,0,0,0|2,0,2]=4 1 B11R2.20 C1=CC2=C(C=C1)CNCC2 Z57834231 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.20 C1=CC2=C(C=C1)COCC2 Z756090080 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.20 C1=CC2=C(C=C1)CONC2 Z2096086829 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.20 C1=CC2=C(C=C1)N=CC=N2 Z104495568 [0,0,0,0,0,0|0,0,4]=4 5 B11R2.20 C1=CC2=C(C=C1)OCCC2 Z728136016 [0,0,0,0,0,0|3,0,0]=3 6 B11R2.20 C1=CC2=C(C=C1)OCCN2 Z228584850 [0,0,0,0,0,0|4,0,0]=4 7 B11R2.20 C1=CC2=C(C=C1)SCCN2 Z56943460 [0,0,0,0,0,0|4,0,0]=4 8 B11R2.20 C1=CC2=C(C=N1)CCCC2 Z104492180 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.20 C1=CC2=C(C=N1)CCNC2 Z3243651255 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.20 C1=CC2=C(C=N1)CNCC2 Z3058791291 [0,0,0,0,0,0|4,0,0]=4 11 B11R2.20 C1=CC2=C(C=N1)COCC2 Z4394915129 [0,0,0,0,0,0|4,0,0]=4 12 B11R2.20 C1=CC2=C(C=N1)NCCC2 Z3243651200 [0,0,0,0,0,0|4,0,0]=4 13 B11R2.20 C1=CC2=C(CCCC2)N=C1 Z1201617100 [0,0,0,0,0,0|1,0,0]=1 14 B11R2.20 C1=CC2=C(CCCN2)N=C1 Z212053854 [0,0,0,0,0,0|2,0,0]=2 15 B11R2.20 C1=CC2=C(CCNC2)N=C1 Z2142036515 [0,0,0,0,0,0|2,0,0]=2 16 B11R2.20 C1=CC2=C(CCNC2)N=N1 Z3487941028 [0,0,0,0,0,0|3,0,0]=3 17 B11R2.20 C1=CC2=C(CCSC2)N=C1 Z3492694447 [0,0,0,0,0,0|2,0,0]=2 18 B11R2.20 C1=CC2=C(N=C1)NCCC2 Z1198176448 [0,0,0,0,0,0|2,0,0]=2 19 B11R2.20 C1=CC2=C(N=C1)NCCN2 Z1198175971 [0,0,0,0,0,0|3,0,0]=3 20 B11R2.20 C1=CC2=C(N=C1)OCCN2 Z1201624799 [0,0,0,0,0,0|3,0,0]=3 21 B11R2.20 C1=NC2=C(CNCC2)N=C1 Z5626910804 [0,0,0,0,0,0|1,0,0]=1 22 B11R2.20 C1=NC=NC2=C1CCNC2 Z2724335023 [0,0,0,0,0,0|3,0,0]=3 23 B11R2.20 C1=NC=NC2=C1NCCN2 Z3358604084 [0,0,0,0,0,0|4,0,0]=4 24 B11R2.20 C1CCC2=C(C1)CCNC2 Z4179865056 [0,0,0,0,0,0|3,0,1]=4 25 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 Z299596180 [0,1,0,0,0,0|2,0,0]=3 26 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 Z1117899488 [0,1,0,0,0,0|3,0,0]=4 27 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 Z1224524500 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 Z283683538 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.24 BrC1=CC2=C(N=C1)NCCC2 Z1269123899 [0,1,0,0,0,0|2,0,0]=3 30 B12R2.24 BrC1=CC2=C(N=C1)NCCN2 Z4956162371 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.24 BrC1=CC2=C(N=C1)NCCO2 Z1269198246 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.24 BrC1=CC2=C(N=C1)OCCC2 Z1269108179 [0,1,0,0,0,0|2,0,0]=3 33 B12R2.24 BrC1=CC2=C(N=C1)OCCN2 Z1269152625 [0,1,0,0,0,0|3,0,0]=4 34 B12R2.24 BrC1=CC2=C(N=C1)OCCO2 Z1269179368 [0,1,0,0,0,0|3,0,0]=4 35 B12R2.24 BrC1=CC2=C(N=C1)SCCN2 Z1762890325 [0,1,0,0,0,0|3,0,0]=4 36 B12R2.24 BrC1=NC2=C(CCCC2)N=C1 Z2122085502 [0,1,0,0,0,0|0,0,0]=1 37 B12R2.24 CC1=CC2=C(C=C1)CCCN2 Z1166113428 [0,1,0,0,0,0|3,0,0]=4 38 B12R2.24 CC1=CC2=C(C=C1)CNCC2 Z1839475447 [0,1,0,0,0,0|3,0,0]=4 39 B12R2.24 CC1=CC2=C(C=C1)NCCC2 Z104494706 [0,1,0,0,0,0|3,0,0]=4 40 B12R2.24 CC1=CC2=C(C=C1)OCCC2 Z939648534 [0,1,0,0,0,0|3,0,0]=4 41 B12R2.24 CC1=CC2=C(N=C1)NCCN2 Z1255460712 [0,1,0,0,0,0|3,0,0]=4 42 B12R2.24 CC1=CC2=C(N=C1)OCCN2 Z1255430604 [0,1,0,0,0,0|3,0,0]=4 43 B12R2.24 CC1=NC2=C(C=C1)CCCN2 Z1198169981 [0,1,0,0,0,0|2,0,0]=3 44 B12R2.24 CC1=NC2=C(C=C1)NCCC2 Z1203748441 [0,1,0,0,0,0|2,0,0]=3 45 B12R2.24 CC1=NC2=C(C=C1)NCCO2 Z1262615161 [0,1,0,0,0,0|3,0,0]=4 46 B12R2.24 CC1=NC2=C(C=C1)OCCN2 Z1198169979 [0,1,0,0,0,0|3,0,0]=4 47 B12R2.24 CC1CC2=C(C=CC=C2)CN1 Z979717380 [0,1,0,0,0,0|3,0,0]=4 48 B12R2.24 CC1CCC2=C(C1)N=CC=C2 Z2050228155 [0,1,0,0,0,0|1,0,0]=2 49 B12R2.24 CC1CCC2=C(N1)C=CC=N2 Z4269599049 [0,1,0,0,0,0|2,0,0]=3 50 B12R2.24 CC1CNC2=C(C1)C=CC=C2 Z1118526687 [0,1,0,0,0,0|3,0,0]=4 51 B12R2.24 CC1CNC2=C(O1)C=CC=N2 Z1255468652 [0,1,0,0,0,0|3,0,0]=4 52 B12R2.24 CC1CNC2=C(O1)N=CC=C2 Z1495332399 [0,1,0,0,0,0|3,0,0]=4 53 B12R2.24 C[C@@H]1CC2=C(C=CC=C2)CN1 Z1203733478 [0,1,0,0,0,0|3,0,0]=4 54 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 Z3244460786 [0,1,0,0,0,0|3,0,0]=4 55 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 Z1716481593 [0,1,0,0,0,0|3,0,0]=4 56 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 Z259727454 [0,1,0,0,0,0|3,0,0]=4 57 B12R2.24 ClC1=CC2=C(N=C1)NCCC2 Z1862012742 [0,1,0,0,0,0|2,0,0]=3 58 B12R2.24 ClC1=NC2=C(C=N1)CCCC2 Z1255459970 [0,1,0,0,0,0|2,0,0]=3 59 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 Z3235028171 [0,1,0,0,0,0|3,0,0]=4 60 B12R2.24 ClC1=NC2=C(C=N1)COCC2 Z1255504384 [0,1,0,0,0,0|3,0,0]=4 61 B12R2.24 ClC1=NC2=C(CCCC2)N=C1 Z1255401581 [0,1,0,0,0,0|0,0,0]=1 62 B12R2.24 ClC1=NN=C2CCCCC2=C1 Z935132528 [0,1,0,0,0,0|2,0,0]=3 63 B12R2.24 ClC1=NN=C2CCNCC2=C1 Z3241251390 [0,1,0,0,0,0|3,0,0]=4 64 B12R2.24 ClC1=NN=C2CCOCC2=C1 Z1013743382 [0,1,0,0,0,0|3,0,0]=4 65 B12R2.24 ClC1=NN=C2CNCCC2=C1 Z2418414343 [0,1,0,0,0,0|3,0,0]=4 66 B12R2.24 FC1=CC2=C(C=C1)CCNC2 Z979717316 [0,1,0,0,0,0|3,0,0]=4 67 B12R2.24 FC1=CC2=C(C=C1)CNCC2 Z1198169933 [0,1,0,0,0,0|3,0,0]=4 68 B12R2.24 FC1=CC2=C(CCCN2)N=C1 Z1255375849 [0,1,0,0,0,0|2,0,0]=3 69 B12R2.24 IC1=CC2=C(N=C1)OCCC2 Z1486000685 [0,1,0,0,0,0|2,0,0]=3 70 B12R2.24 NC1=CC2=C(C=C1)CCCC2 Z278204684 [0,1,0,0,0,0|2,0,0]=3 71 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Z728136682 [0,1,0,0,0,0|3,0,0]=4 72 B12R2.24 NC1=CC2=C(CCOC2)N=C1 Z1255495101 [0,1,0,0,0,0|2,0,0]=3 73 B12R2.24 NC1=NC2=C(C=C1)CCCC2 Z1198183880 [0,1,0,0,0,0|1,0,0]=2 74 B12R2.24 NC1=NC2=C(C=C1)CCOC2 Z3005683778 [0,1,0,0,0,0|2,0,0]=3 75 B12R2.24 NC1=NC2=C(C=N1)CCNC2 Z1551944574 [0,1,0,0,0,0|3,0,0]=4 76 B12R2.24 NC1=NC2=C(C=N1)CCOC2 Z2732461091 [0,1,0,0,0,0|3,0,0]=4 77 B12R2.24 NC1=NC2=C(C=N1)CNCC2 Z1741974298 [0,1,0,0,0,0|3,0,0]=4 78 B12R2.24 NC1=NC2=C(C=N1)COCC2 Z2690815129 [0,1,0,0,0,0|3,0,0]=4 79 B12R2.24 NC1=NC2=C(CCCC2)N=C1 Z1203641646 [0,1,0,0,0,0|0,0,0]=1 80 B12R2.24 NC1=NC2=C(CCCC2)N=N1 Z381019798 [0,1,0,0,0,0|1,0,0]=2 81 B12R2.24 NC1=NC=C2CCCCC2=C1 Z1198275331 [0,1,0,0,0,0|3,0,0]=4 82 B12R2.24 NC1CCC2=C(C1)C=CC=C2 Z992716772 [0,1,0,0,0,0|2,0,0]=3 83 B12R2.24 NC1CCC2=C(C1)C=CC=N2 Z1270312108 [0,1,0,0,0,0|1,0,0]=2 84 B12R2.24 NC1COC2=C(C1)C=CC=C2 Z415636540 [0,1,0,0,0,0|3,0,0]=4 85 B12R2.24 NC1COC2=C(C1)C=CC=N2 Z4410234846 [0,1,0,0,0,0|2,0,0]=3 86 B12R2.24 O=C1C=C2CCCCC2=CN1 Z1203746588 [0,1,0,0,0,0|3,0,0]=4 87 B12R2.24 O=C1C=C2CCCCC2=NN1 Z56886574 [0,1,0,0,0,0|2,0,0]=3 88 B12R2.24 O=C1C=C2CCNCC2=NN1 Z3300776534 [0,1,0,0,0,0|3,0,0]=4 89 B12R2.24 O=C1C=C2COCCC2=NN1 Z1013742988 [0,1,0,0,0,0|3,0,0]=4 90 B12R2.24 O=C1C=C2NCCCC2=NN1 Z1827020799 [0,1,0,0,0,0|3,0,0]=4 91 B12R2.24 O=C1C=CC2=C(N1)CCCC2 Z1198153259 [0,1,0,0,0,0|1,0,1]=3 92 B12R2.24 O=C1C=CC2=C(N1)CCNC2 Z3234963668 [0,1,0,0,0,0|2,0,1]=4 93 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 Z104495562 [0,1,0,0,0,0|2,0,1]=4 94 B12R2.24 OC1=CC2=C(C=C1)CCCC2 Z57182387 [0,1,0,0,0,0|2,0,0]=3 95 B12R2.24 OC1=CC2=C(C=C1)CCCN2 Z1198176201 [0,1,0,0,0,0|3,0,0]=4 96 B12R2.24 OC1=CC2=C(C=C1)CCNC2 Z382690838 [0,1,0,0,0,0|3,0,0]=4 97 B12R2.24 OC1=CC2=C(C=C1)CCOC2 Z1551961557 [0,1,0,0,0,0|3,0,0]=4 98 B12R2.24 OC1=CC2=C(C=C1)CNCC2 Z3018438111 [0,1,0,0,0,0|3,0,0]=4 99 B12R2.24 OC1=CC2=C(C=C1)COCC2 Z1255359696 [0,1,0,0,0,0|3,0,0]=4 100 B12R2.24 OC1=CC2=C(C=C1)OCCC2 Z1201627010 [0,1,0,0,0,0|3,0,0]=4 101 B12R2.24 OC1=CC2=C(CCCC2)N=C1 Z1255357750 [0,1,0,0,0,0|1,0,0]=2 102 B12R2.24 OC1=NC2=C(C=C1)NCCC2 Z1618113980 [0,1,0,0,0,0|2,0,0]=3 103 B12R2.24 OC1=NC2=C(C=N1)CCCC2 Z2756994476 [0,1,0,0,0,0|2,0,0]=3 104 B12R2.24 OC1=NC2=C(CCCC2)N=C1 Z2306625664 [0,1,0,0,0,0|0,0,0]=1 105 B12R2.24 OC1CCC2=C(C1)C=CC=C2 Z445987178 [0,1,0,0,0,0|2,0,0]=3 106 B12R2.24 OC1CNC2=C(C1)C=CC=C2 Z1198341064 [0,1,0,0,0,0|3,0,0]=4 107 B12R2.1081 BrC1=C2CCCNC2=CC=C1 Z1269174223 [0,1,0,0,0,0|3,0,0]=4 108 B12R2.1081 BrC1=C2CCNCC2=CC=C1 Z368591556 [0,1,0,0,0,0|3,0,0]=4 109 B12R2.1081 BrC1=C2CNCCC2=CC=C1 Z1695923042 [0,1,0,0,0,0|3,0,0]=4 110 B12R2.1081 BrC1=C2NCCCC2=CC=C1 Z992717150 [0,1,0,0,0,0|3,0,0]=4 111 B12R2.1081 BrC1=C2OCCCC2=CC=C1 Z1269242001 [0,1,0,0,0,0|3,0,0]=4 112 B12R2.1081 CC1=C2CCCNC2=CC=C1 Z1192360094 [0,1,0,0,0,0|3,0,0]=4 113 B12R2.1081 CC1=C2CCNCC2=CC=C1 Z1891775029 [0,1,0,0,0,0|3,0,0]=4 114 B12R2.1081 CC1=C2NCCCC2=CC=C1 Z199537268 [0,1,0,0,0,0|3,0,0]=4 115 B12R2.1081 CC1=C2OCCNC2=NC=C1 Z1255448235 [0,1,0,0,0,0|3,0,0]=4 116 B12R2.1081 CC1CCNC2=C1C=CC=C2 Z382691338 [0,1,0,0,0,0|3,0,0]=4 117 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z1741982189 [0,1,0,0,0,0|3,0,0]=4 118 B12R2.1081 CC1CNCC2=C1N=CN=C2 Z2753228711 [0,1,0,0,0,0|3,0,0]=4 119 B12R2.1081 CN1CCNC2=C1N=CC=C2 Z1198175997 [0,1,0,0,0,0|3,0,0]=4 120 B12R2.1081 ClC1=C2CCCCC2=NC=N1 Z813021224 [0,1,0,0,0,0|2,0,0]=3 121 B12R2.1081 ClC1=C2CCNCC2=CC=C1 Z368591478 [0,1,0,0,0,0|3,0,0]=4 122 B12R2.1081 ClC1=C2CCNCC2=NC=N1 Z5810322118 [0,1,0,0,0,0|3,0,0]=4 123 B12R2.1081 ClC1=C2COCCC2=NC=N1 Z1255504385 [0,1,0,0,0,0|3,0,0]=4 124 B12R2.1081 ClC1=C2NCCCC2=CC=C1 Z259727508 [0,1,0,0,0,0|3,0,0]=4 125 B12R2.1081 FC1=C2CCCNC2=CC=C1 Z1333761719 [0,1,0,0,0,0|3,0,0]=4 126 B12R2.1081 FC1=C2CCNCC2=CC=C1 Z368591508 [0,1,0,0,0,0|3,0,0]=4 127 B12R2.1081 FC1=C2CNCCC2=CC=C1 Z1198179884 [0,1,0,0,0,0|3,0,0]=4 128 B12R2.1081 FC1=C2NCCCC2=CC=C1 Z247615872 [0,1,0,0,0,0|3,0,0]=4 129 B12R2.1081 IC1=C2CCCCC2=CC=C1 Z381540728 [0,1,0,0,0,0|2,0,0]=3 130 B12R2.1081 NC1=C2CCCCC2=CC=C1 Z104502914 [0,1,0,0,0,0|2,0,0]=3 131 B12R2.1081 NC1=C2CCCCC2=NC=C1 Z1203583324 [0,1,0,0,0,0|1,0,0]=2 132 B12R2.1081 NC1=C2CCCCC2=NC=N1 Z960787014 [0,1,0,0,0,0|2,0,0]=3 133 B12R2.1081 NC1=C2CCCNC2=CC=C1 Z1198176445 [0,1,0,0,0,0|3,0,0]=4 134 B12R2.1081 NC1=C2CCOCC2=CC=C1 Z3398761712 [0,1,0,0,0,0|3,0,0]=4 135 B12R2.1081 NC1=C2CNCCC2=NC=C1 Z2461246351 [0,1,0,0,0,0|2,0,0]=3 136 B12R2.1081 NC1=C2CNCCC2=NC=N1 Z3828431628 [0,1,0,0,0,0|3,0,0]=4 137 B12R2.1081 NC1=C2COCCC2=NC=N1 Z1860397365 [0,1,0,0,0,0|3,0,0]=4 138 B12R2.1081 NC1=C2OCCCC2=CC=C1 Z1723491871 [0,1,0,0,0,0|3,0,0]=4 139 B12R2.1081 NC1=C2SCCCC2=CC=C1 Z5584894309 [0,1,0,0,0,0|3,0,0]=4 140 B12R2.1081 NC1CCCC2=C1C=CC=C2 Z316170348 [0,1,0,0,0,0|2,0,0]=3 141 B12R2.1081 NC1CCCC2=C1C=CN=C2 Z3244922506 [0,1,0,0,0,0|3,0,0]=4 142 B12R2.1081 NC1CCOC2=C1C=CC=C2 Z85923435 [0,1,0,0,0,0|3,0,0]=4 143 B12R2.1081 NC1CCSC2=C1C=CC=C2 Z57066684 [0,1,0,0,0,0|3,0,0]=4 144 B12R2.1081 NC1COCC2=C1C=CC=C2 Z1198178449 [0,1,0,0,0,0|3,0,0]=4 145 B12R2.1081 NC1CSCC2=C1C=CC=C2 Z1695783215 [0,1,0,0,0,0|3,0,0]=4 146 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 Z1442208747 [0,1,0,0,0,0|3,0,0]=4 147 B12R2.1081 O=C1C=CNC2=C1CCCC2 Z1203745874 [0,1,0,0,0,0|1,0,1]=3 148 B12R2.1081 O=C1CCCC2=C1C=CC=C2 Z104477014 [0,1,0,0,0,0|2,0,1]=4 149 B12R2.1081 O=C1CCCC2=C1C=CC=N2 Z1201621685 [0,1,0,0,0,0|1,0,1]=3 150 B12R2.1081 O=C1CCCC2=C1N=CC=C2 Z1201622535 [0,1,0,0,0,0|1,0,1]=3 151 B12R2.1081 O=C1CCOC2=C1C=CC=N2 Z1198233082 [0,1,0,0,0,0|2,0,1]=4 152 B12R2.1081 O=C1NC=NC2=C1CCCN2 Z1139192314 [0,1,0,0,0,0|3,0,0]=4 153 B12R2.1081 O=C1NC=NC2=C1CNCC2 Z1834265872 [0,1,0,0,0,0|3,0,0]=4 154 B12R2.1081 O=C1NC=NC2=C1COCC2 Z2418193688 [0,1,0,0,0,0|3,0,0]=4 155 B12R2.1081 O=C1NC=NC2=C1SCCC2 Z1509209656 [0,1,0,0,0,0|3,0,0]=4 156 B12R2.1081 OC1=C2CCCCC2=CC=C1 Z274762958 [0,1,0,0,0,0|2,0,0]=3 157 B12R2.1081 OC1=C2CCCNC2=CC=C1 Z1203731295 [0,1,0,0,0,0|3,0,0]=4 158 B12R2.1081 OC1=C2CCNCC2=CC=C1 Z2313108218 [0,1,0,0,0,0|3,0,0]=4 159 B12R2.1081 OC1=C2CCOCC2=CC=C1 Z1255506128 [0,1,0,0,0,0|3,0,0]=4 160 B12R2.1081 OC1=C2CNCCC2=CC=C1 Z3243654680 [0,1,0,0,0,0|3,0,0]=4 161 B12R2.1081 OC1=C2CNCCC2=NC=C1 Z2953972929 [0,1,0,0,0,0|2,0,0]=3 162 B12R2.1081 OC1=C2NCCCC2=CC=C1 Z57001601 [0,1,0,0,0,0|3,0,0]=4 163 B12R2.1081 OC1=C2OCCCC2=CC=C1 Z1198726643 [0,1,0,0,0,0|3,0,0]=4 164 B12R2.1081 OC1CCCC2=C1C=CC=C2 Z56899171 [0,1,0,0,0,0|2,0,0]=3 165 B12R2.1081 OC1CCCC2=C1C=CC=N2 Z1198156585 [0,1,0,0,0,0|1,0,0]=2 166 B12R2.1081 OC1CCCC2=C1C=NC=C2 Z1255398550 [0,1,0,0,0,0|3,0,0]=4 167 B12R2.1081 OC1CCNC2=C1C=CC=C2 Z1198723522 [0,1,0,0,0,0|3,0,0]=4 168 B12R2.1081 OC1CCOC2=C1C=CC=C2 Z335244980 [0,1,0,0,0,0|3,0,0]=4 169 B12R2.1081 OC1CCSC2=C1C=CC=C2 Z57085790 [0,1,0,0,0,0|3,0,0]=4 170 B12R2.1081 OC1COCC2=C1C=CC=C2 Z1255366473 [0,1,0,0,0,0|3,0,0]=4 171 B12R2.1081 OC1CSCC2=C1C=CC=C2 Z445987402 [0,1,0,0,0,0|3,0,0]=4 172 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 Z1255505566 [0,1,0,0,0,0|1,0,0]=2 173 B12R2.1081 O[C@@H]1CCOC2=C1C=CC=C2 Z959151866 [0,1,0,0,0,0|3,0,0]=4 174 B12R2.1081 O[C@@H]1CCSC2=C1C=CC=C2 Z959151622 [0,1,0,0,0,0|3,0,0]=4 175 B12R2.1081 O[C@H]1CCCC2=C1N=CC=C2 Z1216847007 [0,1,0,0,0,0|1,0,0]=2 176 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 Z959151868 [0,1,0,0,0,0|3,0,0]=4 177 B12R2.1081 O[C@H]1CCSC2=C1C=CC=C2 Z959151626 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.4 CC1=C(C=CC=N1)CC#N Z1198263560 [0,0,1,0,0,0|2,0,1]=4 179 B10R1.4 CC1=C(N=CC=C1)CCN Z1098234132 [0,0,1,0,0,0|2,0,0]=3 180 B10R1.4 CC1=C(N=CC=C1)CCO Z1198169041 [0,0,1,0,0,0|2,0,0]=3 181 B10R1.4 CC1=C(N=CC=N1)CCO Z1198163945 [0,0,1,0,0,0|1,0,0]=2 182 B10R1.4 CCCC1=C(C=CC=C1)Br Z1479686725 [0,0,1,0,0,0|3,0,0]=4 183 B10R1.4 CCCC1=C(C=CC=C1)I Z821158622 [0,0,1,0,0,0|3,0,0]=4 184 B10R1.4 CCCC1=C(C=CC=C1)N Z336087926 [0,0,1,0,0,0|3,0,0]=4 185 B10R1.4 CCCC1=C(N=CC=N1)Cl Z1504680268 [0,0,1,0,0,0|1,0,0]=2 186 B10R1.4 CCNC1=C(C=CC=C1)C Z104477886 [0,0,1,0,0,0|3,0,0]=4 187 B10R1.4 CCNC1=C(C=CC=N1)C Z968907586 [0,0,1,0,0,0|2,0,0]=3 188 B10R1.4 CCNC1=C(C=CC=N1)N Z803145254 [0,0,1,0,0,0|3,0,0]=4 189 B10R1.4 CCOC1=C(C=CC=N1)N Z240084312 [0,0,1,0,0,0|3,0,0]=4 190 B10R1.4 CCOC1=C(N=CC=C1)N Z362783900 [0,0,1,0,0,0|3,0,0]=4 191 B10R1.4 CNCC1=C(C=CC=C1)C Z56948272 [0,0,1,0,0,0|3,0,0]=4 192 B10R1.4 CNCC1=C(C=CC=N1)Cl Z5392638231 [0,0,1,0,0,0|3,0,0]=4 193 B10R1.4 COCC1=C(N=CC=C1)N Z991490684 [0,0,1,0,0,0|3,0,0]=4 194 B10R1.4 N#CCC1=C(N=CC=N1)Cl Z1255498354 [0,0,1,0,0,0|2,0,1]=4 195 B10R1.4 NCCC1=C(N=CC=C1)O Z5862214540 [0,0,1,0,0,0|3,0,0]=4 196 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [0,0,1,0,0,0|2,0,0]=3 197 B10R1.17 CCCNC1=CN=CC=C1 Z334882412 [0,0,1,0,0,0|2,0,0]=3 198 B10R1.17 CCCOC1=NC=CN=C1 Z2182020100 [0,0,1,0,0,0|1,0,0]=2 199 B10R1.17 CCCSC1=NC=CC=N1 Z18380759 [0,0,1,0,0,0|3,0,0]=4 200 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [0,0,1,0,0,0|3,0,0]=4 201 B10R1.17 CCNCC1=NC=CC=C1 Z90513146 [0,0,1,0,0,0|2,0,0]=3 202 B10R1.17 CCSCC1=NC=CC=C1 Z1607601848 [0,0,1,0,0,0|2,0,0]=3 203 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [0,0,1,0,0,0|3,0,0]=4 204 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [0,0,1,0,0,0|2,0,0]=3 205 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [0,0,1,0,0,0|2,0,0]=3 206 B10R1.17 CNCCC1=NC=CC=N1 Z3023337072 [0,0,1,0,0,0|3,0,0]=4 207 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [0,0,1,0,0,0|3,0,0]=4 208 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [0,0,1,0,0,0|3,0,0]=4 209 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [0,0,1,0,0,0|2,0,0]=3 210 B10R1.17 NCCCC1=CN=NC=C1 Z3270187722 [0,0,1,0,0,0|3,0,0]=4 211 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [0,0,1,0,0,0|2,0,0]=3 212 B10R1.17 NCCCC1=NC=CN=C1 Z1474025943 [0,0,1,0,0,0|1,0,0]=2 213 B10R1.17 NCCNC1=NC=CC=C1 Z85923460 [0,0,1,0,0,0|3,0,0]=4 214 B10R1.17 NCCOC1=CN=CC=C1 Z429662874 [0,0,1,0,0,0|3,0,0]=4 215 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [0,0,1,0,0,0|2,0,1]=4 216 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [0,0,1,0,0,0|2,0,1]=4 217 B10R1.17 OCC#CC1=NC=CN=C1 Z1183457797 [0,0,1,0,0,0|1,0,2]=4 218 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [0,0,1,0,0,0|3,0,0]=4 219 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [0,0,1,0,0,0|2,0,0]=3 220 B10R1.17 OCCCC1=NC=NC=C1 Z2044799287 [0,0,1,0,0,0|3,0,0]=4 221 B10R1.17 OCCNC1=NC=CC=C1 Z31212159 [0,0,1,0,0,0|3,0,0]=4 222 B10R1.17 OCCNC1=NC=CN=C1 Z31212301 [0,0,1,0,0,0|2,0,0]=3 223 B10R1.17 OCCOC1=CN=CC=C1 Z1180078238 [0,0,1,0,0,0|3,0,0]=4 224 B10R1.20 CCC1=C(C=CC=C1)CN Z979776472 [0,0,1,0,0,0|3,0,0]=4 225 B10R1.20 CCC1=C(C=CC=C1)NC Z335279298 [0,0,1,0,0,0|3,0,0]=4 226 B10R1.20 CCC1=C(C=CC=N1)C=O Z3241890674 [0,0,1,0,0,0|2,0,1]=4 227 B10R1.20 CCC1=C(N=CC=C1)C#N Z1198166295 [0,0,1,0,0,0|2,0,1]=4 228 B10R1.20 CCC1=C(N=CC=C1)C=O Z1255375872 [0,0,1,0,0,0|2,0,1]=4 229 B10R1.20 CNC1=C(C=CC=N1)CN Z4763824006 [0,0,1,0,0,0|3,0,0]=4 230 B10R1.20 CNC1=C(N=CC=C1)OC Z1082871982 [0,0,1,0,0,0|3,0,0]=4 231 B10R1.20 CNC1=C(N=CC=N1)C#N Z995018658 [0,0,1,0,0,0|2,0,1]=4 232 B10R1.20 COC1=C(C=CC=N1)CO Z800297974 [0,0,1,0,0,0|3,0,0]=4 233 B10R1.20 COC1=C(N=CC=N1)C=O Z1198266659 [0,0,1,0,0,0|2,0,1]=4 234 B10R1.20 COC1=C(N=CC=N1)CO Z1661095795 [0,0,1,0,0,0|2,0,0]=3 235 B10R1.20 CSC1=C(C=CC=N1)CO Z1198184816 [0,0,1,0,0,0|3,0,0]=4 236 B10R1.20 CSC1=C(N=CC=N1)C#N Z995023946 [0,0,1,0,0,0|2,0,1]=4 237 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 Z278165226 [0,0,0,1,0,0|3,0,0]=4 238 B10R2.7 C1=C2CCCCN2N=N1 Z1255404316 [0,0,0,0,1,0|2,0,0]=3 239 B10R2.7 C1=C2CCOCC2=NN1 Z3021703551 [0,0,0,0,1,0|2,0,0]=3 240 B10R2.7 C1=C2CNCCC2=NN1 Z2940229155 [0,0,0,0,1,0|2,0,0]=3 241 B10R2.7 C1=C2CNCCN2N=N1 Z235351539 [0,0,0,0,1,0|3,0,0]=4 242 B10R2.7 C1=C2CSCCC2=NN1 Z5030692136 [0,0,0,0,1,0|2,0,0]=3 243 B10R2.7 C1=CC2=C(C=C1)CNC2 Z1263820391 [0,0,0,0,1,0|3,0,0]=4 244 B10R2.7 C1=CC2=C(C=C1)COC2 Z839134770 [0,0,0,0,1,0|3,0,0]=4 245 B10R2.7 C1=CC2=C(C=C1)NCC2 Z104475582 [0,0,0,0,1,0|3,0,0]=4 246 B10R2.7 C1=CC2=C(C=C1)OCC2 Z104505448 [0,0,0,0,1,0|3,0,0]=4 247 B10R2.7 C1=CC2=C(CCN2)N=C1 Z1203748137 [0,0,0,0,1,0|2,0,0]=3 248 B10R2.7 C1=CC2=C(CNC2)N=C1 Z1741974952 [0,0,0,0,1,0|2,0,0]=3 249 B10R2.7 C1=CC2=C(N1)CCCC2 Z274765016 [0,0,0,0,1,0|0,0,1]=2 250 B10R2.7 C1=CC2=C(N1)N=CC=N2 Z1198233190 [0,0,0,0,1,0|1,0,2]=4 251 B10R2.7 C1=CC2=C(N=C1)NCC2 Z979438826 [0,0,0,0,1,0|2,0,0]=3 252 B10R2.7 C1=CC2=C(S1)CCNC2 Z271099584 [0,0,0,0,1,0|2,0,0]=3 253 B10R2.7 C1=CN2CCCCC2=N1 Z1255462261 [0,0,0,0,1,0|1,0,0]=2 254 B10R2.7 C1=CN2CCCNC2=N1 Z1070100988 [0,0,0,0,1,0|2,0,0]=3 255 B10R2.7 C1=CN2CCNCC2=N1 Z332374912 [0,0,0,0,1,0|2,0,0]=3 256 B10R2.7 C1=CN2CCOCC2=N1 Z2293643837 [0,0,0,0,1,0|2,0,0]=3 257 B10R2.7 C1=NC2=C(N1)CCCC2 Z1198155272 [0,0,0,0,1,0|0,0,1]=2 258 B10R2.7 C1=NC2=C(N1)CCNC2 Z2168541835 [0,0,0,0,1,0|1,0,1]=3 259 B10R2.7 C1=NC2=C(N1)CCOC2 Z1255453307 [0,0,0,0,1,0|1,0,1]=3 260 B10R2.7 C1=NC2=C(N=C1)NC=N2 Z1198180623 [0,0,0,0,1,0|2,0,1]=4 261 B10R2.7 C1=NC2=C(N=C1)SC=N2 Z2044801495 [0,0,0,0,1,0|2,0,1]=4 262 B10R2.7 C1=NC2=C(S1)CCCC2 Z1255404373 [0,0,0,0,1,0|1,0,0]=2 263 B10R2.7 C1=NC=C2N1CCCC2 Z1255357477 [0,0,0,0,1,0|3,0,0]=4 264 B10R2.7 C1=NC=NC2=C1CNC2 Z1741974398 [0,0,0,0,1,0|3,0,0]=4 265 B10R2.7 C1=NN2CCCNC2=C1 Z955060542 [0,0,0,0,1,0|2,0,0]=3 266 B10R2.7 C1=NN2CCCNC2=N1 Z823287378 [0,0,0,0,1,0|2,0,0]=3 267 B10R2.7 C1=NN2CCCOC2=C1 Z1544617980 [0,0,0,0,1,0|2,0,0]=3 268 B10R2.7 C1=NN2CCNCC2=C1 Z2658867518 [0,0,0,0,1,0|2,0,0]=3 269 B10R2.7 C1=NN2CCNCC2=N1 Z1198233434 [0,0,0,0,1,0|2,0,0]=3 270 B10R2.7 C1=NN=C2N1CCCC2 Z1201627946 [0,0,0,0,1,0|2,0,0]=3 271 B10R2.7 C1=NN=C2N1CCNC2 Z1138834285 [0,0,0,0,1,0|3,0,0]=4 272 B10R2.7 C1=NN=C2N1NCCC2 Z3716820112 [0,0,0,0,1,0|3,0,0]=4 273 B10R2.7 C1=NNC2=C1CCCC2 Z431947164 [0,0,0,0,1,0|1,0,1]=3 274 B10R2.7 C1=NNC2=C1CCNC2 Z1704732987 [0,0,0,0,1,0|2,0,1]=4 275 B10R2.7 C1=NNC2=C1COCC2 Z2234631192 [0,0,0,0,1,0|2,0,1]=4 276 B10R2.7 C1=NOC2=C1CCNC2 Z4635781834 [0,0,0,0,1,0|3,0,0]=4 277 B10R2.7 C1CCC2=C(C1)N=NN2 Z2472465848 [0,0,0,0,1,0|1,0,1]=3 278 B10R2.7 C1CN2N=NN=C2CN1 Z5607200495 [0,0,0,0,1,0|3,0,0]=4 279 B10R2.7 C1CNC2=NN=NN2C1 Z2186882927 [0,0,0,0,1,0|3,0,0]=4 280 B10R2.7 C1CNC2=NON=C2N1 Z275142044 [0,0,0,0,1,0|3,0,0]=4 281 B12R2.41 C1=CC2=C(C=C1)CCNCC2 Z368542280 [0,0,0,0,0,1|2,0,0]=3 282 B12R2.41 C1=CC2=C(C=C1)CNCCC2 Z1079126054 [0,0,0,0,0,1|2,0,0]=3 283 B12R2.41 C1=CC2=C(C=C1)NCCCC2 Z374049420 [0,0,0,0,0,1|2,0,0]=3 284 B12R2.41 C1=CC2=C(C=C1)NCCNC2 Z382719980 [0,0,0,0,0,1|3,0,0]=4 285 B12R2.41 C1=CC2=C(C=C1)NCCOC2 Z1198304389 [0,0,0,0,0,1|3,0,0]=4 286 B12R2.41 C1=CC2=C(C=C1)NCCSC2 Z1198305826 [0,0,0,0,0,1|3,0,0]=4 287 B12R2.41 C1=CC2=C(C=C1)OCCCO2 Z56963396 [0,0,0,0,0,1|3,0,0]=4 288 B12R2.41 C1=CC2=C(C=C1)OCCNC2 Z355445126 [0,0,0,0,0,1|3,0,0]=4 289 B12R2.41 C1=CC2=C(C=C1)SCCCN2 Z57044255 [0,0,0,0,0,1|3,0,0]=4 290 B12R2.41 C1=CC2=C(C=C1)SCCNC2 Z1255495971 [0,0,0,0,0,1|3,0,0]=4 291 B12R2.41 C1=CC2=C(C=N1)NCCCC2 Z2896411761 [0,0,0,0,0,1|3,0,0]=4 292 B12R2.41 C1=CC2=C(CCCCN2)N=C1 Z1203732000 [0,0,0,0,0,1|1,0,0]=2 293 B12R2.41 C1=CC2=C(N=C1)NCCCC2 Z1203733884 [0,0,0,0,0,1|1,0,0]=2 294 B12R2.41 C1=CC2=C(N=C1)NCCCN2 Z1389212140 [0,0,0,0,0,1|2,0,0]=3 295 B12R2.41 C1=CC2=C(N=C1)OCCNC2 Z2143572903 [0,0,0,0,0,1|2,0,0]=3 296 B12R2.41 C1=NC=NC2=C1CCNCC2 Z1198181671 [0,0,0,0,0,1|2,0,0]=3 297 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [1,0,1,0,0,0|2,0,0]=4 298 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [1,0,1,0,0,0|1,0,0]=3 299 B9R1.8 CCCC1=NN=CC=C1 Z1486025396 [1,0,1,0,0,0|2,0,0]=4 300 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [1,0,1,0,0,0|2,0,0]=4 301 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [1,0,1,0,0,0|2,0,0]=4 302 B9R1.8 CNCC1=NC=CN=C1 Z385447136 [1,0,1,0,0,0|1,0,0]=3 303 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [1,0,1,0,0,0|2,0,0]=4 304 B9R1.8 N#CCC1=NC=CN=C1 Z1098233793 [1,0,1,0,0,0|1,0,1]=4 305 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [1,0,1,0,0,0|2,0,0]=4 306 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [1,0,1,0,0,0|2,0,0]=4 307 B9R1.8 NCCC1=NC=CN=C1 Z1925930460 [1,0,1,0,0,0|1,0,0]=3 308 B9R1.8 O=CC=C1CCCCC1 Z1251356876 [1,0,1,0,0,0|1,0,1]=4 309 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [1,0,1,0,0,0|2,0,0]=4 310 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [1,0,1,0,0,0|2,0,0]=4 311 B9R1.8 OCCC1=NC=CN=C1 Z234895105 [1,0,1,0,0,0|1,0,0]=3 312 B9R1.15 CC1=C(N=CC=C1)CO Z976637084 [1,0,1,0,0,0|2,0,0]=4 313 B9R1.15 CC1=C(N=CC=N1)C#N Z1198181979 [1,0,1,0,0,0|1,0,1]=4 314 B9R1.15 CC1=C(N=CC=N1)C=O Z1198233269 [1,0,1,0,0,0|1,0,1]=4 315 B9R1.15 CC1=C(N=CC=N1)CN Z3671696702 [1,0,1,0,0,0|1,0,0]=3 316 B9R1.15 CCC1=C(N=CC=C1)N Z1192017773 [1,0,1,0,0,0|2,0,0]=4 317 B9R1.15 CCC1=C(N=CC=C1)O Z1198266674 [1,0,1,0,0,0|2,0,0]=4 318 B9R1.15 CCC1=C(N=CC=N1)Cl Z1198149374 [1,0,1,0,0,0|1,0,0]=3 319 B9R1.15 CCC1=C(N=CC=N1)N Z1203580180 [1,0,1,0,0,0|1,0,0]=3 320 B9R1.15 CCC1=NC=CNC1=O Z3274889193 [1,0,1,0,0,0|1,0,1]=4 321 B9R1.15 CCC1=NNC=NC1=O Z1201628993 [1,0,1,0,0,0|2,0,0]=4 322 B9R1.15 CNC1=C(C=CC=N1)C Z968907582 [1,0,1,0,0,0|2,0,0]=4 323 B9R1.15 CNC1=C(N=CC=C1)C Z1295808975 [1,0,1,0,0,0|2,0,0]=4 324 B9R1.15 CNC1=C(N=CC=N1)C Z2768516750 [1,0,1,0,0,0|1,0,0]=3 325 B9R1.15 COC1=C(N=CC=C1)C Z1198150814 [1,0,1,0,0,0|2,0,0]=4 326 B9R1.15 COC1=C(N=CC=N1)N Z1198166025 [1,0,1,0,0,0|2,0,0]=4 327 B9R1.15 ClCC1=C(N=CC=N1)Cl Z934373154 [1,0,1,0,0,0|2,0,0]=4 328 B9R1.15 NC1=C(N=CC=N1)CO Z1198237691 [1,0,1,0,0,0|2,0,0]=4 329 B9R1.15 NCC1=C(N=CC=N1)Cl Z2472857434 [1,0,1,0,0,0|2,0,0]=4 330 B11R1.17 CC1=C(C=CC=C1)CCCN Z424782962 [0,1,1,0,0,0|2,0,0]=4 331 B11R1.17 CC1=C(C=CC=C1)CCCO Z979436644 [0,1,1,0,0,0|2,0,0]=4 332 B11R1.17 CC1=C(N=CC=C1)CCC#N Z1862003349 [0,1,1,0,0,0|1,0,1]=4 333 B11R1.17 CC1=C(N=CC=C1)CCCN Z1198262715 [0,1,1,0,0,0|1,0,0]=3 334 B11R1.17 CCCOC1=C(N=CC=N1)N Z1821324848 [0,1,1,0,0,0|1,0,0]=3 335 B11R1.17 CCNCC1=C(C=CC=C1)C Z90513218 [0,1,1,0,0,0|2,0,0]=4 336 B11R1.17 CCSCC1=C(N=CC=C1)N Z991493204 [0,1,1,0,0,0|2,0,0]=4 337 B11R1.17 CNCCC1=C(C=CC=C1)C Z2234185664 [0,1,1,0,0,0|2,0,0]=4 338 B11R1.41 CCCC1=C(C=CC=C1)CN Z3241253417 [0,1,1,0,0,0|2,0,0]=4 339 B11R1.41 CCOC1=C(C=CC=N1)CN Z240084032 [0,1,1,0,0,0|2,0,0]=4 340 B11R1.41 CCSC1=C(N=CC=N1)C#N Z995023798 [0,1,1,0,0,0|1,0,1]=4 341 B11R1.41 COC1=C(C=CC=N1)CCO Z1504674309 [0,1,1,0,0,0|2,0,0]=4 342 B11R1.81 CC1=CC(=C(N=C1)CCO)C Z1504687585 [0,1,1,0,0,0|2,0,0]=4 343 B11R1.81 CCOC1=C(N=C(C=C1)N)C Z2583036218 [0,1,1,0,0,0|2,0,0]=4 344 B11R1.81 COCC1=C(N=C(C=C1)N)C Z1262680326 [0,1,1,0,0,0|2,0,0]=4 345 B11R1.86 CC1=C(C=CC=C1)CC(C)N Z594038086 [0,1,1,0,0,0|2,0,0]=4 346 B11R1.222 CCC(=O)C1=C(C=CC=N1)C Z852750672 [0,1,1,0,0,0|1,0,1]=4 347 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [0,1,1,0,0,0|2,0,0]=4 348 B11R1.1 CCCCC1=CN=C(N=C1)N Z1137168332 [0,1,1,0,0,0|2,0,0]=4 349 B11R1.1 CCCCC1=NC=C(C=N1)N Z1318447164 [0,1,1,0,0,0|2,0,0]=4 350 B11R1.16 CCCC(=O)C1=CN=CC=C1 Z513733856 [0,1,1,0,0,0|1,0,1]=4 351 B11R1.16 CCCC(=O)C1=NC=CC=C1 Z513733774 [0,1,1,0,0,0|1,0,1]=4 352 B11R1.16 CCCC(N)C1=NC=CC=C1 Z513795928 [0,1,1,0,0,0|1,0,0]=3 353 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [0,1,1,0,0,0|2,0,0]=4 354 B11R1.16 CCNC(C)C1=CN=CC=C1 Z163548568 [0,1,1,0,0,0|2,0,0]=4 355 B11R1.16 CCOC(=O)C1=NC=CN=C1 Z53835886 [0,1,1,0,0,0|1,0,1]=4 356 B11R1.24 CC1=CC(=CN=C1)CCCO Z1216820424 [0,1,1,0,0,0|2,0,0]=4 357 B11R1.24 CC1=NC(=CC=C1)CCCO Z104479712 [0,1,1,0,0,0|2,0,0]=4 358 B11R1.24 CCCCC1=NC(=NC=C1)N Z1262627362 [0,1,1,0,0,0|2,0,0]=4 359 B11R1.24 CCCCC1=NC=NC(=C1)Cl Z1201628792 [0,1,1,0,0,0|2,0,0]=4 360 B11R1.24 CCNCC1=CC(=CN=C1)Br Z3244742192 [0,1,1,0,0,0|2,0,0]=4 361 B11R1.24 CCNCC1=NC(=CC=C1)C Z385447500 [0,1,1,0,0,0|2,0,0]=4 362 B11R1.24 NCCCC1=CC(=CN=C1)F Z4446765955 [0,1,1,0,0,0|2,0,0]=4 363 B11R1.24 OCCOC1=NC(=CN=C1)Cl Z332379880 [0,1,1,0,0,0|2,0,0]=4 364 B11R1.28 C#CCNCC1=NC=CN=C1 Z1013420586 [0,1,1,0,0,0|0,0,2]=4 365 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [0,1,1,0,0,0|2,0,0]=4 366 B11R1.28 CCCCNC1=NC=CN=C1 Z31215149 [0,1,1,0,0,0|0,0,0]=2 367 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [0,1,1,0,0,0|2,0,0]=4 368 B11R1.28 CCCNCC1=CN=CC=C1 Z3247723489 [0,1,1,0,0,0|1,0,0]=3 369 B11R1.28 CCCNCC1=NC=CC=C1 Z4401052052 [0,1,1,0,0,0|1,0,0]=3 370 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [0,1,1,0,0,0|2,0,0]=4 371 B11R1.28 CCNCCC1=NC=CC=C1 Z138534138 [0,1,1,0,0,0|1,0,0]=3 372 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [0,1,1,0,0,0|2,0,0]=4 373 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [0,1,1,0,0,0|2,0,0]=4 374 B11R1.28 CNCCNC1=NC=CC=C1 Z3033960688 [0,1,1,0,0,0|2,0,0]=4 375 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [0,1,1,0,0,0|2,0,0]=4 376 B11R1.28 NCCCNC1=NC=CC=C1 Z234895141 [0,1,1,0,0,0|2,0,0]=4 377 B11R1.28 NCCCSC1=NC=CC=C1 Z2028214397 [0,1,1,0,0,0|2,0,0]=4 378 B11R1.28 NCCNCC1=NC=CC=C1 Z600492946 [0,1,1,0,0,0|2,0,0]=4 379 B11R1.28 OCCCNC1=NC=CC=C1 Z31220937 [0,1,1,0,0,0|2,0,0]=4 380 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [0,1,1,0,0,0|2,0,0]=4 381 B11R1.40 CCC(=O)CC1=CN=CC=C1 Z992407884 [0,1,1,0,0,0|1,0,1]=4 382 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [0,1,1,0,0,0|2,0,0]=4 383 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [0,1,1,0,0,0|2,0,0]=4 384 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [0,1,1,0,0,0|2,0,0]=4 385 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [0,1,1,0,0,0|2,0,0]=4 386 B11R1.91 CC(C)CCC1=NC=CN=C1 Z1198147436 [0,1,1,0,0,0|0,0,0]=2 387 B11R1.91 CC(C)COC1=CN=CC=C1 Z1606818727 [0,1,1,0,0,0|2,0,0]=4 388 B11R1.91 CC(C)NCC1=CN=CC=C1 Z90502194 [0,1,1,0,0,0|2,0,0]=4 389 B11R1.91 CC(C)NCC1=NC=CC=C1 Z90502192 [0,1,1,0,0,0|2,0,0]=4 390 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [0,1,1,0,0,0|2,0,0]=4 391 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [0,1,1,0,0,0|2,0,0]=4 392 B11R1.91 O=C(O)CCC1=NC=CN=C1 Z1198184629 [0,1,1,0,0,0|1,0,1]=4 393 B11R1.37 CCC1=C(C=C(C=C1)N)CC Z1820078294 [0,1,1,0,0,0|2,0,0]=4 394 B11R1.37 CCC1=C(N=C(N=N1)Cl)CC Z1761595443 [0,1,1,0,0,0|1,0,0]=3 395 B11R1.37 CCC1=C(N=C(N=N1)N)CC Z1262632570 [0,1,1,0,0,0|1,0,0]=3 396 B11R1.53 CC(C)C1=C(N=CC=C1)CN Z4927326966 [0,1,1,0,0,0|2,0,0]=4 397 B11R1.53 CCC1=C(N=CC=N1)C(=O)O Z1551935457 [0,1,1,0,0,0|1,0,1]=4 398 B11R1.265 CCC1=C(C(=CC=C1)N)CC Z1203639805 [0,1,1,0,0,0|2,0,0]=4 399 B11R2.1 BrC1=C2CNCCN2N=C1 Z2311329014 [0,1,0,0,1,0|2,0,0]=4 400 B11R2.1 BrC1=C2NCCCN2N=C1 Z1504680677 [0,1,0,0,1,0|2,0,0]=4 401 B11R2.1 BrC1=CSC2=C1CNCC2 Z2830496432 [0,1,0,0,1,0|2,0,0]=4 402 B11R2.1 CC1=CN=C2N1CCNC2 Z2895259728 [0,1,0,0,1,0|2,0,0]=4 403 B11R2.1 CC1=CNC2=C1CCCC2 Z1203731522 [0,1,0,0,1,0|0,0,1]=3 404 B11R2.1 CC1=NN=C2N1CCCC2 Z273627190 [0,1,0,0,1,0|2,0,0]=4 405 B11R2.1 CC1CNC2=C1N=CC=C2 Z3464420345 [0,1,0,0,1,0|2,0,0]=4 406 B11R2.1 CN1C=CC2=C1CCNC2 Z3241259773 [0,1,0,0,1,0|1,0,1]=4 407 B11R2.1 CN1C=CC2=C1CNCC2 Z1891776732 [0,1,0,0,1,0|1,0,1]=4 408 B11R2.1 ClC1=C2CNCCN2N=C1 Z3243810597 [0,1,0,0,1,0|2,0,0]=4 409 B11R2.1 ClC1=C2NCCCN2N=C1 Z2753058198 [0,1,0,0,1,0|2,0,0]=4 410 B11R2.1 NC1=C2CCCCC2=NN1 Z1350606402 [0,1,0,0,1,0|1,0,0]=3 411 B11R2.1 NC1=C2CCCCC2=NO1 Z1198168620 [0,1,0,0,1,0|1,0,0]=3 412 B11R2.1 NC1=C2CCCCN2N=C1 Z2724442494 [0,1,0,0,1,0|1,0,0]=3 413 B11R2.1 NC1=C2CNCCC2=NN1 Z2755724161 [0,1,0,0,1,0|2,0,0]=4 414 B11R2.1 NC1=C2CNCCC2=NO1 Z2968050470 [0,1,0,0,1,0|2,0,0]=4 415 B11R2.1 NC1=C2COCCC2=NN1 Z1190319854 [0,1,0,0,1,0|2,0,0]=4 416 B11R2.1 NC1=C2NCCCN2N=C1 Z3072402157 [0,1,0,0,1,0|2,0,0]=4 417 B11R2.1 NC1=C2OCCCN2N=C1 Z2681247058 [0,1,0,0,1,0|2,0,0]=4 418 B11R2.1 NC1=CN=C2N1CCCC2 Z2230911175 [0,1,0,0,1,0|1,0,0]=3 419 B11R2.1 NC1=CN=C2N1CCNC2 Z2768171942 [0,1,0,0,1,0|2,0,0]=4 420 B11R2.1 NC1=CN=C2N1CCOC2 Z3574943518 [0,1,0,0,1,0|2,0,0]=4 421 B11R2.1 NC1=NN=C2N1CCCC2 Z1375678798 [0,1,0,0,1,0|2,0,0]=4 422 B11R2.1 NC1CCC2=C1C=CC=C2 Z168884748 [0,1,0,0,1,0|2,0,0]=4 423 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 Z1741972748 [0,1,0,0,1,0|2,0,0]=4 424 B11R2.1 O=C1NN=C2N1CCCC2 Z1020851196 [0,1,0,0,1,0|2,0,0]=4 425 B11R2.1 OC1=C2CNCCN2N=C1 Z3683009742 [0,1,0,0,1,0|2,0,0]=4 426 B11R2.10 BrC1=CC2=C(S1)CCNC2 Z1473994884 [0,1,0,0,1,0|2,0,0]=4 427 B11R2.10 BrC1=CC2=C(S1)CNCC2 Z1536943526 [0,1,0,0,1,0|2,0,0]=4 428 B11R2.10 CC1=CC2=C(S1)CCNC2 Z4511731875 [0,1,0,0,1,0|2,0,0]=4 429 B11R2.10 CC1=NC2=C(N1)CCCC2 Z1255506508 [0,1,0,0,1,0|0,0,1]=3 430 B11R2.10 CC1=NC2=C(N1)CCNC2 Z2309942226 [0,1,0,0,1,0|1,0,1]=4 431 B11R2.10 CC1=NC2=C(S1)CNCC2 Z3371563626 [0,1,0,0,1,0|2,0,0]=4 432 B11R2.10 CC1=NN2CCCNC2=C1 Z1201628934 [0,1,0,0,1,0|2,0,0]=4 433 B11R2.10 CC1=NN2CCNCC2=C1 Z3003898189 [0,1,0,0,1,0|2,0,0]=4 434 B11R2.10 CC1=NN2CCNCC2=N1 Z1198307579 [0,1,0,0,1,0|2,0,0]=4 435 B11R2.10 CN1C=C2CNCCC2=N1 Z1741974300 [0,1,0,0,1,0|2,0,0]=4 436 B11R2.10 ClC1=CC2=C(S1)CCNC2 Z2379036208 [0,1,0,0,1,0|2,0,0]=4 437 B11R2.10 NC1=NC2=C(S1)CCCC2 Z1741961606 [0,1,0,0,1,0|1,0,0]=3 438 B11R2.10 NC1=NC2=C(S1)COCC2 Z1270207983 [0,1,0,0,1,0|2,0,0]=4 439 B11R2.10 NC1=NC2=C(S1)CSCC2 Z826531524 [0,1,0,0,1,0|2,0,0]=4 440 B11R2.10 NC1=NN2CCCCC2=C1 Z1203641740 [0,1,0,0,1,0|1,0,0]=3 441 B11R2.10 NC1=NN2CCCCC2=N1 Z2240822571 [0,1,0,0,1,0|1,0,0]=3 442 B11R2.10 NC1=NN2CCCNC2=N1 Z4452678180 [0,1,0,0,1,0|2,0,0]=4 443 B11R2.10 NC1=NN2CCNCC2=C1 Z2768769199 [0,1,0,0,1,0|2,0,0]=4 444 B11R2.10 NC1=NN2CCNCC2=N1 Z1813081708 [0,1,0,0,1,0|2,0,0]=4 445 B11R2.10 NC1CC2=C(C1)C=CC=C2 Z1741971562 [0,1,0,0,1,0|2,0,0]=4 446 B11R2.10 NC1CC2=C(C1)N=CC=C2 Z3069017080 [0,1,0,0,1,0|1,0,0]=3 447 B11R2.10 NC1CC2=C(C1)N=CC=N2 Z4953585301 [0,1,0,0,1,0|0,0,0]=2 448 B11R2.10 O=C1NC2=C(S1)CCCC2 Z409413532 [0,1,0,0,1,0|1,0,1]=4 449 B11R2.10 SC1=NC2=C(N1)CCOC2 Z1383741607 [0,1,0,0,1,0|1,0,1]=4 450 B11R2.10 SC1=NC2=C(N1)CNCC2 Z4590913977 [0,1,0,0,1,0|1,0,1]=4 451 B11R2.36 BrC1=CC2=C(C=C1)CCC2 Z359513410 [0,1,0,0,1,0|2,0,0]=4 452 B11R2.36 BrC1=CC2=C(CCC2)N=C1 Z1198182024 [0,1,0,0,1,0|1,0,0]=3 453 B11R2.36 BrC1=CC2=C(CNC2)N=C1 Z3244825424 [0,1,0,0,1,0|2,0,0]=4 454 B11R2.36 BrC1=CC2=C(COC2)N=C1 Z1269164644 [0,1,0,0,1,0|2,0,0]=4 455 B11R2.36 BrC1=CC2=C(N=C1)NCC2 Z1198169618 [0,1,0,0,1,0|2,0,0]=4 456 B11R2.36 BrC1=CC2=C(N=C1)OCC2 Z1269230252 [0,1,0,0,1,0|2,0,0]=4 457 B11R2.36 BrC1=NC2=C(C=N1)CCC2 Z2311286011 [0,1,0,0,1,0|2,0,0]=4 458 B11R2.36 BrC1=NN=C2CCCC2=C1 Z5348405692 [0,1,0,0,1,0|2,0,0]=4 459 B11R2.36 CC1=CC2=C(CNC2)N=C1 Z4912525222 [0,1,0,0,1,0|2,0,0]=4 460 B11R2.36 CC1CCN2N=CN=C2N1 Z1834431701 [0,1,0,0,1,0|2,0,0]=4 461 B11R2.36 CC1CN2N=CC=C2CN1 Z2574938525 [0,1,0,0,1,0|2,0,0]=4 462 B11R2.36 CC1CNC2=NC=NN2C1 Z1834431655 [0,1,0,0,1,0|2,0,0]=4 463 B11R2.36 ClC1=CC2=C(C=C1)CCC2 Z1198234594 [0,1,0,0,1,0|2,0,0]=4 464 B11R2.36 ClC1=NC2=C(C=N1)CCC2 Z1255467563 [0,1,0,0,1,0|2,0,0]=4 465 B11R2.36 ClC1=NN=C2CCCC2=C1 Z935132412 [0,1,0,0,1,0|2,0,0]=4 466 B11R2.36 FC1=CC2=C(CCN2)N=C1 Z5452930143 [0,1,0,0,1,0|2,0,0]=4 467 B11R2.36 FC1=CC2=C(N=C1)NCC2 Z2757597421 [0,1,0,0,1,0|2,0,0]=4 468 B11R2.36 FC1=CC2=C(N=C1)OCC2 Z2732449946 [0,1,0,0,1,0|2,0,0]=4 469 B11R2.36 IC1=CC2=C(C=C1)CCC2 Z381540774 [0,1,0,0,1,0|2,0,0]=4 470 B11R2.36 NC1=NC2=C(C=C1)CCC2 Z1198183883 [0,1,0,0,1,0|1,0,0]=3 471 B11R2.36 NC1=NC2=C(C=C1)OCC2 Z1203582734 [0,1,0,0,1,0|2,0,0]=4 472 B11R2.36 NC1=NC2=C(C=N1)CCC2 Z1137168278 [0,1,0,0,1,0|2,0,0]=4 473 B11R2.36 NC1CCC2=C(C1)C=NN2 Z415727968 [0,1,0,0,1,0|1,0,1]=4 474 B11R2.36 NC1CCC2=C(C1)N=CN2 Z1473962907 [0,1,0,0,1,0|0,0,1]=3 475 B11R2.36 NC1CCC2=C(C1)N=NN2 Z3377967875 [0,1,0,0,1,0|1,0,1]=4 476 B11R2.36 NC1CCC2=C(C1)SC=N2 Z2310679110 [0,1,0,0,1,0|1,0,0]=3 477 B11R2.36 NC1CCC2=NC=CN2C1 Z406361508 [0,1,0,0,1,0|1,0,0]=3 478 B11R2.36 NC1CCC2=NC=NN2C1 Z1138834266 [0,1,0,0,1,0|1,0,0]=3 479 B11R2.36 NC1CCC2=NN=CN2C1 Z3481541677 [0,1,0,0,1,0|2,0,0]=4 480 B11R2.36 NC1CCC2=NN=NN2C1 Z2310716438 [0,1,0,0,1,0|2,0,0]=4 481 B11R2.36 NC1CCN2C=CN=C2C1 Z3235143758 [0,1,0,0,1,0|1,0,0]=3 482 B11R2.36 NC1CCN2C=NN=C2C1 Z4582089633 [0,1,0,0,1,0|2,0,0]=4 483 B11R2.36 NC1CCN2N=CC=C2C1 Z2471604126 [0,1,0,0,1,0|1,0,0]=3 484 B11R2.36 NC1CCN2N=CN=C2C1 Z2310677934 [0,1,0,0,1,0|1,0,0]=3 485 B11R2.36 NC1CCN2N=NN=C2C1 Z3820479219 [0,1,0,0,1,0|2,0,0]=4 486 B11R2.36 NC1COC2=CC=NN2C1 Z5621425484 [0,1,0,0,1,0|2,0,0]=4 487 B11R2.36 N[C@H]1CCC2=C(C1)SC=N2 Z2327402646 [0,1,0,0,1,0|1,0,0]=3 488 B11R2.36 O=C1C=C2CCCC2=NN1 Z935132918 [0,1,0,0,1,0|2,0,0]=4 489 B11R2.36 O=C1C=CC2=C(N1)CCC2 Z234895263 [0,1,0,0,1,0|1,0,1]=4 490 B11R2.36 OC1=CC2=C(CCC2)N=C1 Z1255498919 [0,1,0,0,1,0|1,0,0]=3 491 B11R2.36 OC1=CC2=C(N=C1)NCC2 Z2310677431 [0,1,0,0,1,0|2,0,0]=4 492 B11R2.36 OC1=NC2=C(C=C1)CCN2 Z5351512817 [0,1,0,0,1,0|2,0,0]=4 493 B11R2.36 OC1=NC2=C(C=C1)CNC2 Z4913752558 [0,1,0,0,1,0|2,0,0]=4 494 B11R2.36 OC1CCC2=C(C1)C=NN2 Z1198178407 [0,1,0,0,1,0|1,0,1]=4 495 B11R2.36 OC1CCC2=C(C1)N=CN2 Z2235821828 [0,1,0,0,1,0|0,0,1]=3 496 B11R2.36 OC1CCC2=C(C1)NN=C2 Z1365504566 [0,1,0,0,1,0|1,0,1]=4 497 B11R2.36 OC1CCN2N=CC=C2C1 Z1255392230 [0,1,0,0,1,0|1,0,0]=3 498 B11R2.36 OC1CSC2=NC=CN2C1 Z594271436 [0,1,0,0,1,0|2,0,0]=4 499 B11R2.106 CC1=C2CCNC2=NC=C1 Z1203731311 [0,1,0,0,1,0|2,0,0]=4 500 B11R2.106 CC1=C2CNCC2=NC=C1 Z3595590454 [0,1,0,0,1,0|2,0,0]=4 501 B11R2.106 CC1CNCC2=CNN=C12 Z2696524847 [0,1,0,0,1,0|2,0,0]=4 502 B11R2.106 CC1NCCC2=C1SC=C2 Z291278532 [0,1,0,0,1,0|2,0,0]=4 503 B11R2.106 ClC1=C2CCCC2=NC=N1 Z813019322 [0,1,0,0,1,0|2,0,0]=4 504 B11R2.106 IC1=C2CCOC2=NC=C1 Z3247248061 [0,1,0,0,1,0|2,0,0]=4 505 B11R2.106 NC1=C2CCCC2=NC=N1 Z234796414 [0,1,0,0,1,0|2,0,0]=4 506 B11R2.106 NC1=C2CCOC2=NC=C1 Z1862023680 [0,1,0,0,1,0|2,0,0]=4 507 B11R2.106 NC1CCCC2=C1C=CO2 Z316258464 [0,1,0,0,1,0|1,0,0]=3 508 B11R2.106 NC1CCCC2=C1C=CS2 Z1021395154 [0,1,0,0,1,0|1,0,0]=3 509 B11R2.106 NC1CCCN2C1=NC=C2 Z2609665787 [0,1,0,0,1,0|1,0,0]=3 510 B11R2.106 NC1CCCN2C1=NC=N2 Z1203590742 [0,1,0,0,1,0|1,0,0]=3 511 B11R2.106 NC1CCCN2C1=NN=C2 Z3524315732 [0,1,0,0,1,0|2,0,0]=4 512 B11R2.106 O=C1CCCC2=C1C=CN2 Z905041600 [0,1,0,0,1,0|0,0,2]=4 513 B11R2.106 O=C1CCCC2=C1C=CO2 Z763285450 [0,1,0,0,1,0|1,0,1]=4 514 B11R2.106 O=C1CCCC2=C1N=CN2 Z3222424299 [0,1,0,0,1,0|0,0,2]=4 515 B11R2.106 O=C1CCCC2=C1NC=C2 Z1203731696 [0,1,0,0,1,0|0,0,2]=4 516 B11R2.106 O=C1CCCN2C1=NC=C2 Z1216850752 [0,1,0,0,1,0|1,0,1]=4 517 B11R2.106 O=C1NC=NC2=C1CCC2 Z813020070 [0,1,0,0,1,0|2,0,0]=4 518 B11R2.106 OC1=C2CCCC2=CC=C1 Z1198149277 [0,1,0,0,1,0|2,0,0]=4 519 B11R2.106 OC1=C2CNCC2=NC=C1 Z4511420933 [0,1,0,0,1,0|2,0,0]=4 520 B11R2.106 OC1CCCC2=C1N=CN2 Z1203816822 [0,1,0,0,1,0|0,0,1]=3 521 B11R2.106 OC1CCCC2=CNN=C12 Z1202221639 [0,1,0,0,1,0|1,0,0]=3 522 B11R2.106 OC1CCCN2C1=NC=C2 Z1255451700 [0,1,0,0,1,0|1,0,0]=3 523 B13R2.33 CC1CCC2=C(C=CC=C2)NC1 Z5621098910 [0,1,0,0,0,1|2,0,0]=4 524 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 Z2235810278 [0,1,0,0,0,1|2,0,0]=4 525 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 Z1255446913 [0,1,0,0,0,1|2,0,0]=4 526 B13R2.163 O=C1CCCC2=C(N1)C=CC=N2 Z1216823228 [0,1,0,0,0,1|1,0,1]=4 527 B13R2.3729 BrC1=CC2=C(C=C1)CCCCN2 Z2805897454 [0,1,0,0,0,1|2,0,0]=4 528 B13R2.3729 BrC1=CC2=C(C=C1)CCNCC2 Z3482360593 [0,1,0,0,0,1|2,0,0]=4 529 B13R2.3729 BrC1=CC2=C(C=C1)CNCCC2 Z2737427877 [0,1,0,0,0,1|2,0,0]=4 530 B13R2.3729 BrC1=CC2=C(C=C1)SCCCC2 Z1416181098 [0,1,0,0,0,1|2,0,0]=4 531 B13R2.3729 BrC1=CC2=C(N=C1)NCCOC2 Z1269116235 [0,1,0,0,0,1|2,0,0]=4 532 B13R2.3729 CC1=CC2=C(C=C1)CCCCN2 Z1255439654 [0,1,0,0,0,1|2,0,0]=4 533 B13R2.3729 ClC1=CC2=C(C=C1)CCCCN2 Z1655103611 [0,1,0,0,0,1|2,0,0]=4 534 B13R2.3729 ClC1=CC2=C(C=C1)NCCCC2 Z2568751763 [0,1,0,0,0,1|2,0,0]=4 535 B13R2.3729 ClC1=NC2=C(C=N1)CCCCC2 Z1251416049 [0,1,0,0,0,1|2,0,0]=4 536 B13R2.3729 NC1=CC2=C(C=C1)CCCCC2 Z2465619886 [0,1,0,0,0,1|2,0,0]=4 537 B13R2.3729 NC1=NC2=C(C=N1)CCCCC2 Z1137168270 [0,1,0,0,0,1|2,0,0]=4 538 B13R2.3729 OC1=CC2=C(C=C1)CCCCC2 Z1513804380 [0,1,0,0,0,1|2,0,0]=4 539 B13R2.3729 OC1=CC2=C(C=C1)CCCNC2 Z3244826621 [0,1,0,0,0,1|2,0,0]=4 540 B13R2.3729 OC1=CC2=C(C=C1)CCNCC2 Z744593112 [0,1,0,0,0,1|2,0,0]=4 541 B13R2.3729 OC1=CC2=C(C=C1)NCCCC2 Z2943582595 [0,1,0,0,0,1|2,0,0]=4 542 B13R2.4820 BrC1=C2CCCCNC2=CC=C1 Z1649677631 [0,1,0,0,0,1|2,0,0]=4 543 B13R2.4820 BrC1=C2CCCNCC2=CC=C1 Z1695822038 [0,1,0,0,0,1|2,0,0]=4 544 B13R2.4820 BrC1=C2CNCCCC2=CC=C1 Z5196721222 [0,1,0,0,0,1|2,0,0]=4 545 B13R2.4820 CC1=C2NCCCCC2=CC=C1 Z3072785485 [0,1,0,0,0,1|2,0,0]=4 546 B13R2.4820 ClC1=C2CCCCCC2=NC=N1 Z1124749971 [0,1,0,0,0,1|2,0,0]=4 547 B13R2.4820 ClC1=C2CCCNCC2=CC=C1 Z5995243976 [0,1,0,0,0,1|2,0,0]=4 548 B13R2.4820 ClC1=C2CCNCCC2=NC=N1 Z3487363974 [0,1,0,0,0,1|2,0,0]=4 549 B13R2.4820 O=C1NC=NC2=C1CCNCC2 Z3300708943 [0,1,0,0,0,1|2,0,0]=4 550 B13R2.4820 OC1=C2CCCCNC2=CC=C1 Z4327149895 [0,1,0,0,0,1|2,0,0]=4 551 B13R2.4820 OC1=C2CCCNCC2=CC=C1 Z4461382055 [0,1,0,0,0,1|2,0,0]=4 552 B13R2.4820 OC1=C2CCNCCC2=CC=C1 Z5087667468 [0,1,0,0,0,1|2,0,0]=4 553 B13R2.5252 CC1CCCNC2=C1C=CC=C2 Z1262580132 [0,1,0,0,0,1|2,0,0]=4 554 B13R2.5252 CC1CNCCC2=C1C=CC=C2 Z1262566288 [0,1,0,0,0,1|2,0,0]=4 555 B13R2.5252 NC1CCCOC2=C1C=CC=C2 Z382721416 [0,1,0,0,0,1|2,0,0]=4 556 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 Z56922160 [0,1,0,0,0,1|2,0,0]=4 557 B13R2.5252 OC1CCCCC2=C1C=CC=C2 Z228586126 [0,1,0,0,0,1|2,0,0]=4 558 B13R2.5252 O[C@@H]1CCCSC2=C1C=CC=C2 Z1436075942 [0,1,0,0,0,1|2,0,0]=4 559 B13R2.5252 O[C@H]1CCCSC2=C1C=CC=C2 Z1436075943 [0,1,0,0,0,1|2,0,0]=4 560 B13R2.32 CC1=C(C2=C(C=C1)CCCC2)N Z5101715035 [0,2,0,0,0,0|2,0,0]=4 561 B13R2.32 CC1CCC2=C(C1N)C=CC=C2 Z1539988085 [0,2,0,0,0,0|2,0,0]=4 562 B13R2.32 NC1=CN=C2CCCCN2C1=O Z4522730757 [0,2,0,0,0,0|2,0,0]=4 563 B13R2.32 NC1C2=C(C=CC=C2)CCC1F Z2791719028 [0,2,0,0,0,0|2,0,0]=4 564 B13R2.32 NC1CCC2=C(C1=O)C=CC=N2 Z4562803491 [0,2,0,0,0,0|1,0,1]=4 565 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@@H]1O Z3070471251 [0,2,0,0,0,0|2,0,0]=4 566 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@H]1O Z2901813806 [0,2,0,0,0,0|2,0,0]=4 567 B13R2.32 OC1=C(C2=C(C=C1)CCCC2)F Z1862026471 [0,2,0,0,0,0|2,0,0]=4 568 B13R2.32 OC1=C2CNCCC2=NC=C1Br Z3003073340 [0,2,0,0,0,0|2,0,0]=4 569 B13R2.57 CNC1CCC2=C(C1)C=CC=C2 Z102767748 [0,2,0,0,0,0|2,0,0]=4 570 B13R2.57 CSC1=NC2=C(CCCC2)N=N1 Z3300769824 [0,2,0,0,0,0|1,0,0]=3 571 B13R2.57 N#CC1=CC2=C(C=C1)CCCC2 Z1416158086 [0,2,0,0,0,0|2,0,0]=4 572 B13R2.57 N#CC1=NC2=C(C=C1)CCCC2 Z1255436074 [0,2,0,0,0,0|1,0,0]=3 573 B13R2.57 N#CC1=NC2=C(C=C1)NCCC2 Z1255468441 [0,2,0,0,0,0|2,0,0]=4 574 B13R2.57 NCC1=CC2=C(CCCC2)N=C1 Z2310707479 [0,2,0,0,0,0|1,0,0]=3 575 B13R2.57 NCC1=NC2=C(C=C1)CCCN2 Z5616119763 [0,2,0,0,0,0|2,0,0]=4 576 B13R2.57 O=CC1=CC2=C(C=C1)CCCC2 Z385369922 [0,2,0,0,0,0|2,0,0]=4 577 B13R2.57 O=CC1=CC2=C(CCCC2)N=C1 Z1251358619 [0,2,0,0,0,0|1,0,0]=3 578 B13R2.57 O=CC1=CC2=C(CCOC2)N=C1 Z1255451813 [0,2,0,0,0,0|2,0,0]=4 579 B13R2.57 O=CC1=CC2=C(N=C1)OCCC2 Z1201628737 [0,2,0,0,0,0|2,0,0]=4 580 B13R2.57 O=CC1CCC2=C(C1)C=CC=C2 Z1198168733 [0,2,0,0,0,0|2,0,0]=4 581 B13R2.155 NC1CCC2=NNC(=O)C=C2C1 Z3675437395 [0,2,0,0,0,0|2,0,0]=4 582 B13R2.155 OC1=CC2=C(C=C1)CCC(C2)O Z1513811314 [0,2,0,0,0,0|2,0,0]=4 583 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N Z2130641406 [0,2,0,0,0,0|2,0,0]=4 584 B13R2.162 NC1=CC2=C(C=C1)CCCC2N Z1262631299 [0,2,0,0,0,0|2,0,0]=4 585 B13R2.162 NC1CCC2=C(C1)C(=CC=N2)O Z5113824288 [0,2,0,0,0,0|1,0,0]=3 586 B13R2.162 NC1CCCC2=C1C=C(C=C2)Br Z3234892335 [0,2,0,0,0,0|2,0,0]=4 587 B13R2.162 NC1CCCC2=C1C=C(C=C2)F Z1008463750 [0,2,0,0,0,0|2,0,0]=4 588 B13R2.162 O=C1CCCC2=C1N=C(C=C2)Cl Z1255495740 [0,2,0,0,0,0|1,0,1]=4 589 B13R2.162 OC1CCC2=C(C1)C(=CC=C2)Br Z1862026178 [0,2,0,0,0,0|2,0,0]=4 590 B13R2.162 OC1CCCC2=C1C=C(C=C2)Cl Z1008483484 [0,2,0,0,0,0|2,0,0]=4 591 B13R2.222 CC1(CCC2=C(C1)C=CC=C2)N Z489303314 [0,2,0,0,0,0|2,0,0]=4 592 B13R2.222 CC1(CCC2=C(C1)C=CC=C2)O Z489303234 [0,2,0,0,0,0|2,0,0]=4 593 B13R2.222 CC1(CNC2=C(C1)C=CC=N2)C Z4449638275 [0,2,0,0,0,0|2,0,0]=4 594 B13R2.328 CC1=C2CCCCC2=NC(=N1)N Z85923113 [0,2,0,0,0,0|2,0,0]=4 595 B13R2.328 CC1=NC2=C(CCCC2)C(=C1)N Z1198162667 [0,2,0,0,0,0|1,0,0]=3 596 B13R2.328 CC1=NC2=C(CCCC2)C(=N1)Cl Z813020986 [0,2,0,0,0,0|2,0,0]=4 597 B13R2.328 CC1=NC2=C(CCCC2)C(=O)N1 Z57604142 [0,2,0,0,0,0|2,0,0]=4 598 B13R2.328 CC1CC(=O)C2=C(C1)C=CC=N2 Z4048181494 [0,2,0,0,0,0|1,0,1]=4 599 B13R2.328 ClC1=NC2=C(CCCC2)C(=N1)Cl Z1267863111 [0,2,0,0,0,0|2,0,0]=4 600 B13R2.328 NC1=NC2=C(CCCC2)C(=N1)N Z56791215 [0,2,0,0,0,0|2,0,0]=4 601 B13R2.328 NC1=NC2=C(CCCC2)C(=O)N1 Z813021734 [0,2,0,0,0,0|2,0,0]=4 602 B13R2.328 OC1=CC(=NC2=C1CCCN2)O Z3038216065 [0,2,0,0,0,0|2,0,0]=4 603 B13R2.369 CC1=C(N=C2CCCCC2=N1)Cl Z2679925039 [0,2,0,0,0,0|0,0,0]=2 604 B13R2.369 CC1=NC2=C(CCCC2)NC1=O Z3417289247 [0,2,0,0,0,0|0,0,1]=3 605 B13R2.369 ClC1=C(N=C2CCCCC2=N1)Cl Z1688642731 [0,2,0,0,0,0|0,0,0]=2 606 B13R2.369 NC1=CC2=C(CCCC2)NC1=O Z1198223694 [0,2,0,0,0,0|1,0,1]=4 607 B13R2.369 O=C1NC2=C(C=C1Br)CCCC2 Z1269215692 [0,2,0,0,0,0|1,0,1]=4 608 B13R2.3683 CC1=NC2=C(C=N1)CC(CC2)N Z255150112 [0,2,0,0,0,0|2,0,0]=4 609 B13R2.3683 CC1CCC2=C(C1)C=NC(=N2)N Z1137168265 [0,2,0,0,0,0|2,0,0]=4 610 B13R2.3683 OC1CCC2=C(C1)C=CC(=C2)Br Z449374978 [0,2,0,0,0,0|2,0,0]=4 611 B13R2.5179 CC1=NC2=C(C=N1)C(CCC2)N Z905270722 [0,2,0,0,0,0|2,0,0]=4 612 B13R2.5179 ClC1=NC2=C(N=C1)C(CCC2)Cl Z3277528199 [0,2,0,0,0,0|0,0,0]=2 613 B13R2.5179 NC1=NC2=C(C=C1)C(=O)CCC2 Z1198334034 [0,2,0,0,0,0|1,0,1]=4 614 B13R2.5179 NC1CCCC2=C1C=CC(=C2)O Z2867491070 [0,2,0,0,0,0|2,0,0]=4 615 B13R2.5179 N[C@@H]1CCCC2=C1C=CC(=C2)F Z1357774230 [0,2,0,0,0,0|2,0,0]=4 616 B13R2.5179 O=C1CCCC2=C1C=CC(=N2)Cl Z1198181042 [0,2,0,0,0,0|1,0,1]=4 617 B13R2.5179 O=C1CCCC2=C1N=CC(=N2)Cl Z1813178899 [0,2,0,0,0,0|0,0,1]=3 618 B13R2.5179 OC1CCCC2=C1C=CC(=C2)F Z1255366926 [0,2,0,0,0,0|2,0,0]=4 619 B13R2.342 NC1CCCC2=C1C=CC=C2F Z2230911457 [0,2,0,0,0,0|2,0,0]=4 620 B13R2.342 NC1CCCC2=C1C=CC=C2O Z1262626223 [0,2,0,0,0,0|2,0,0]=4 621 B13R2.342 OC1=CC=CC2=C1CCCC2O Z104511134 [0,2,0,0,0,0|2,0,0]=4 622 B13R2.371 CC1CCC(C2=C1C=CC=C2)N Z1262645009 [0,2,0,0,0,0|2,0,0]=4 623 B13R2.371 NC1=C2CCCCC2=C(C=C1)Br Z2180968595 [0,2,0,0,0,0|2,0,0]=4 624 B13R2.371 OC1=C2CCCCC2=C(C=C1)Br Z1269125439 [0,2,0,0,0,0|2,0,0]=4 625 B13R2.1613 C#CC1=C2CCCCC2=CC=C1 Z1080385884 [0,2,0,0,0,0|2,0,0]=4 626 B13R2.1613 CNC1=C2CCCCC2=NC=C1 Z2526712456 [0,2,0,0,0,0|1,0,0]=3 627 B13R2.1613 N#CC1CCCC2=C1C=CC=C2 Z295443708 [0,2,0,0,0,0|2,0,0]=4 628 B13R2.1613 N#CC1CCCC2=C1N=CC=C2 Z2935735751 [0,2,0,0,0,0|1,0,0]=3 629 B13R2.1613 NCC1=C2CCCCC2=CC=C1 Z3445798092 [0,2,0,0,0,0|2,0,0]=4 630 B13R2.1613 NCC1=C2CCCCC2=NC=C1 Z3305926881 [0,2,0,0,0,0|1,0,0]=3 631 B13R2.1613 NCC1CCCC2=C1C=CC=C2 Z234895145 [0,2,0,0,0,0|2,0,0]=4 632 B13R2.1613 NNC1=C2CCCCC2=CC=C1 Z594413654 [0,2,0,0,0,0|2,0,0]=4 633 B13R2.1613 O=CC1=C2CCCCC2=CC=C1 Z1255463357 [0,2,0,0,0,0|2,0,0]=4 634 B13R2.1613 O=CC1CCCC2=C1C=CC=C2 Z1079132786 [0,2,0,0,0,0|2,0,0]=4 635 B13R2.1613 OCC1CCCC2=C1C=CC=C2 Z995212536 [0,2,0,0,0,0|2,0,0]=4 636 B13R2.1613 OCC1CCCC2=C1N=CC=C2 Z1216823106 [0,2,0,0,0,0|1,0,0]=3 637 B13R2.3122 CC1(CCCC2=C1C=CC=C2)N Z1258542936 [0,2,0,0,0,0|2,0,0]=4 638 B13R2.4818 CC1=C2C(=CC=C1)CCCC2N Z3759811786 [0,2,0,0,0,0|2,0,0]=4 639 B13R2.4818 NC1=CC=CC2=C1C(CCC2)N Z2582206107 [0,2,0,0,0,0|2,0,0]=4 640 B13R2.4818 NC1CCCC2=C1C(=CC=C2)F Z3765009163 [0,2,0,0,0,0|2,0,0]=4 641 B11R2.55 NC1=C(C=CC=N1)C2CC2 Z4496948738 [0,0,1,1,0,0|2,0,0]=4 642 B11R2.55 NC1=C(N=CC=C1)C2CC2 Z1521319401 [0,0,1,1,0,0|2,0,0]=4 643 B11R2.55 NC1=C(N=CC=N1)C2CC2 Z1203653375 [0,0,1,1,0,0|1,0,0]=3 644 B11R2.238 C1=CC(=CN=C1)NC2CC2 Z1203747527 [0,0,1,1,0,0|2,0,0]=4 645 B13R3.28 C1=CC2=C(C=C1)[C@@H]3O[C@@H]3CC2 Z3177279256 [0,0,0,1,0,1|2,0,0]=4 646 B13R3.3800 N[C@@H]1[C@@H]2[C@H]1C3=C(C2)C=CC=C3 Z2888819437 [0,1,0,1,0,0|2,0,0]=4 647 B13R3.1962 C1=CC2=C(C=C1)C3CCC2N3 Z2242191032 [0,1,0,1,0,0|2,0,0]=4 648 B9R1.33 CC1=C(N=CN1)CCN Z1682072469 [0,0,1,0,1,0|1,0,1]=4 649 B9R1.33 CC1=C(N=CO1)CCN Z4133751936 [0,0,1,0,1,0|2,0,0]=4 650 B9R1.33 CC1=C(SC=N1)CCCl Z945806150 [0,0,1,0,1,0|2,0,0]=4 651 B9R1.33 CC1=C(SC=N1)CCN Z945840330 [0,0,1,0,1,0|2,0,0]=4 652 B9R1.33 CC1=C(SC=N1)CCO Z104477768 [0,0,1,0,1,0|2,0,0]=4 653 B9R1.33 CC1=NC=CN1CCN Z271005730 [0,0,1,0,1,0|2,0,0]=4 654 B9R1.33 CC1=NC=CN1CCO Z425794744 [0,0,1,0,1,0|2,0,0]=4 655 B9R1.33 CC1=NC=CN1CCS Z820771758 [0,0,1,0,1,0|2,0,0]=4 656 B9R1.33 CC1=NNC=C1CCN Z4991178728 [0,0,1,0,1,0|2,0,0]=4 657 B9R1.33 CC1=NNN=C1CCN Z4526316913 [0,0,1,0,1,0|2,0,0]=4 658 B9R1.33 CCCC1=NON=C1N Z359374180 [0,0,1,0,1,0|2,0,0]=4 659 B9R1.33 CCCN1C=CN=C1S Z57043495 [0,0,1,0,1,0|2,0,0]=4 660 B9R1.33 CN1C=CN=C1CCN Z2805865782 [0,0,1,0,1,0|2,0,0]=4 661 B9R1.33 CN1C=CN=C1CCO Z1183455332 [0,0,1,0,1,0|2,0,0]=4 662 B9R1.33 CN1N=CC=C1CCCl Z1824511155 [0,0,1,0,1,0|2,0,0]=4 663 B9R1.33 CN1N=CC=C1CCN Z1183446166 [0,0,1,0,1,0|2,0,0]=4 664 B9R1.33 CN1N=CC=C1CCO Z1183446153 [0,0,1,0,1,0|2,0,0]=4 665 B9R1.33 CN1N=CN=C1CCN Z1405445912 [0,0,1,0,1,0|2,0,0]=4 666 B9R1.33 CNCC1=C(C=CS1)C Z85956636 [0,0,1,0,1,0|2,0,0]=4 667 B9R1.33 CNCC1=C(N=CS1)C Z385446916 [0,0,1,0,1,0|2,0,0]=4 668 B9R1.33 CNCC1=C(OC=C1)C Z818732086 [0,0,1,0,1,0|2,0,0]=4 669 B9R1.33 CNCC1=CSN=C1C Z4996662980 [0,0,1,0,1,0|2,0,0]=4 670 B9R1.33 CNCC1=NC=CN1C Z94601315 [0,0,1,0,1,0|2,0,0]=4 671 B9R1.33 CNCC1=NC=NN1C Z995119858 [0,0,1,0,1,0|2,0,0]=4 672 B9R1.12 CCCCC1=CN=CO1 Z2520746593 [0,0,1,0,1,0|1,0,0]=3 673 B9R1.12 CCNCC1=CC=CO1 Z90513169 [0,0,1,0,1,0|2,0,0]=4 674 B9R1.12 CCNCC1=CN=CS1 Z3268542028 [0,0,1,0,1,0|2,0,0]=4 675 B9R1.12 CCNCC1=COC=C1 Z385447452 [0,0,1,0,1,0|2,0,0]=4 676 B9R1.12 CCNCC1=NC=CS1 Z2186882255 [0,0,1,0,1,0|2,0,0]=4 677 B9R1.12 CCNCC1=NNC=C1 Z3300346845 [0,0,1,0,1,0|2,0,0]=4 678 B9R1.12 CCOCC1=NC=CN1 Z1203819044 [0,0,1,0,1,0|1,0,1]=4 679 B9R1.12 CNCCC1=CC=CS1 Z162416950 [0,0,1,0,1,0|2,0,0]=4 680 B9R1.12 CNCCC1=NNC=C1 Z2686452658 [0,0,1,0,1,0|2,0,0]=4 681 B9R1.12 CNCCC1=NOC=N1 Z2889975619 [0,0,1,0,1,0|2,0,0]=4 682 B9R1.12 CNCCN1C=NC=N1 Z1675167205 [0,0,1,0,1,0|2,0,0]=4 683 B9R1.12 COCCN1C=CC=N1 Z1157794076 [0,0,1,0,1,0|2,0,0]=4 684 B9R1.12 COCCN1C=CN=C1 Z203976416 [0,0,1,0,1,0|2,0,0]=4 685 B9R1.12 NCCCC1=CC=NN1 Z2895332060 [0,0,1,0,1,0|2,0,0]=4 686 B9R1.12 NCCCC1=CNC=N1 Z2574933947 [0,0,1,0,1,0|1,0,1]=4 687 B9R1.12 NCCCC1=CNN=C1 Z2106603664 [0,0,1,0,1,0|2,0,0]=4 688 B9R1.12 NCCCC1=CON=C1 Z3022047352 [0,0,1,0,1,0|2,0,0]=4 689 B9R1.12 NCCCC1=NC=CN1 Z3244743443 [0,0,1,0,1,0|1,0,1]=4 690 B9R1.12 NCCCC1=NC=CO1 Z4966451613 [0,0,1,0,1,0|2,0,0]=4 691 B9R1.12 NCCCC1=NC=CS1 Z1263529635 [0,0,1,0,1,0|2,0,0]=4 692 B9R1.12 NCCCC1=NC=NO1 Z1429378655 [0,0,1,0,1,0|2,0,0]=4 693 B9R1.12 NCCCN1C=CC=N1 Z271005716 [0,0,1,0,1,0|2,0,0]=4 694 B9R1.12 NCCCN1C=NC=N1 Z2242062120 [0,0,1,0,1,0|2,0,0]=4 695 B9R1.12 OCCCC1=CNC=N1 Z1142681983 [0,0,1,0,1,0|1,0,1]=4 696 B9R1.12 OCCCC1=CNN=C1 Z826006476 [0,0,1,0,1,0|2,0,0]=4 697 B9R1.12 OCCCC1=COC=C1 Z1198265634 [0,0,1,0,1,0|2,0,0]=4 698 B9R1.12 OCCCC1=CSC=C1 Z993012564 [0,0,1,0,1,0|2,0,0]=4 699 B9R1.12 OCCCC1=CSC=N1 Z1270133079 [0,0,1,0,1,0|2,0,0]=4 700 B9R1.12 OCCCC1=NC=CN1 Z2771661063 [0,0,1,0,1,0|1,0,1]=4 701 B9R1.12 OCCCC1=NC=NN1 Z5356836398 [0,0,1,0,1,0|2,0,0]=4 702 B9R1.12 OCCCN1C=CC=N1 Z425794826 [0,0,1,0,1,0|2,0,0]=4 703 B9R1.12 OCCCN1C=CN=C1 Z425794726 [0,0,1,0,1,0|2,0,0]=4 704 B9R1.14 CCC1=C(SC=C1)CN Z815289796 [0,0,1,0,1,0|2,0,0]=4 705 B9R1.14 CCN1C=CN=C1CN Z2235681432 [0,0,1,0,1,0|2,0,0]=4 706 B9R1.14 CCN1C=CN=C1CO Z425813718 [0,0,1,0,1,0|2,0,0]=4 707 B9R1.14 CCN1N=CN=C1CN Z995120222 [0,0,1,0,1,0|2,0,0]=4 708 B9R2.3 C1=C2CNCC2=NN1 Z2335631780 [0,0,0,0,2,0|2,0,0]=4 709 B9R2.3 C1=C2CNCC2=NO1 Z3247780507 [0,0,0,0,2,0|2,0,0]=4 710 B9R2.3 C1=CN2CCCC2=N1 Z1255492142 [0,0,0,0,2,0|1,0,0]=3 711 B9R2.3 C1=NC2=C(N1)CNC2 Z3244520038 [0,0,0,0,2,0|1,0,1]=4 712 B9R2.3 C1=NC2=C(S1)CNC2 Z4459994874 [0,0,0,0,2,0|2,0,0]=4 713 B9R2.3 C1=NN2CCNC2=C1 Z1203731545 [0,0,0,0,2,0|2,0,0]=4 714 B9R2.3 C1=NNC2=C1CCC2 Z1198165735 [0,0,0,0,2,0|1,0,1]=4 715 B13R2.67 C1=CC2=C(C=C1)CCNCCC2 Z1262566301 [0,0,0,0,0,2|2,0,0]=4 716 B13R2.67 C1=CC2=C(C=C1)CNCCCC2 Z1262564835 [0,0,0,0,0,2|2,0,0]=4 717 B13R2.67 C1=CC2=C(C=C1)NCCCCC2 Z1262691695 [0,0,0,0,0,2|2,0,0]=4