0 B11R2.10 CC1=CC2=CC=CC=C2N1 CNP0223946.0 [0,0,0,0,0,0|1,0,0]=1 1 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [0,0,0,0,0,0|0,0,0]=0 2 B11R2.10 CC1=CC2=CC=CC=C2S1 CNP0195624.0 [0,0,0,0,0,0|0,1,0]=1 3 B11R2.10 CC1=CC2=CN=NN=C2O1 CNP0349587.0 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.10 CC1=CC2=CN=NOC2=N1 CNP0102408.0 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.10 CC1=CC2=CON=NC2=N1 CNP0001114.0 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.10 CC1=CC2=NC=NN=C2O1 CNP0162454.0 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.10 CC1=CC2=NC=NOC2=N1 CNP0119962.0 [0,0,0,0,0,0|4,0,0]=4 8 B11R2.10 CC1=CC2=NN=CN=C2O1 CNP0388354.0 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.10 CC1=CC2=NN=COC2=N1 CNP0027885.0 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.10 CC1=CC2=NN=NC=C2O1 CNP0000818.0 [0,0,0,0,0,0|3,0,0]=3 11 B11R2.10 CC1=CC2=NOC=NC2=N1 CNP0142415.0 [0,0,0,0,0,0|4,0,0]=4 12 B11R2.10 CC1=CC2=NON=CC2=N1 CNP0001053.0 [0,0,0,0,0,0|4,0,0]=4 13 B11R2.10 CC1=NC2=CC=CC=C2O1 CNP0419573.0 [0,0,0,0,0,0|1,0,0]=1 14 B11R2.10 CC1=NC2=CC=CC=C2S1 CNP0308312.0 [0,0,0,0,0,0|1,1,0]=2 15 B11R2.10 CC1=NC2=CC=NN=C2O1 CNP0278179.0 [0,0,0,0,0,0|3,0,0]=3 16 B11R2.10 CC1=NC2=CC=NOC2=N1 CNP0243449.0 [0,0,0,0,0,0|4,0,0]=4 17 B11R2.10 CC1=NC2=CN=CN=C2O1 CNP0180716.0 [0,0,0,0,0,0|3,0,0]=3 18 B11R2.10 CC1=NC2=CN=COC2=N1 CNP0147877.0 [0,0,0,0,0,0|4,0,0]=4 19 B11R2.10 CC1=NC2=CN=NC=C2O1 CNP0001198.0 [0,0,0,0,0,0|3,0,0]=3 20 B11R2.10 CC1=NC2=CN=NOC2=C1 CNP0001019.0 [0,0,0,0,0,0|4,0,0]=4 21 B11R2.10 CC1=NC2=COC=NC2=N1 CNP0127260.0 [0,0,0,0,0,0|4,0,0]=4 22 B11R2.10 CC1=NC2=CON=CC2=N1 CNP0001207.0 [0,0,0,0,0,0|4,0,0]=4 23 B11R2.10 CC1=NC2=CON=NC2=C1 CNP0001055.0 [0,0,0,0,0,0|4,0,0]=4 24 B11R2.10 CC1=NC2=NC=CN=C2O1 CNP0001199.0 [0,0,0,0,0,0|3,0,0]=3 25 B11R2.10 CC1=NC2=NC=COC2=N1 CNP0145883.0 [0,0,0,0,0,0|4,0,0]=4 26 B11R2.10 CC1=NC2=NC=NC=C2O1 CNP0001304.0 [0,0,0,0,0,0|3,0,0]=3 27 B11R2.10 CC1=NC2=NC=NOC2=C1 CNP0000844.0 [0,0,0,0,0,0|4,0,0]=4 28 B11R2.10 CC1=NC2=NN=CC=C2O1 CNP0125142.0 [0,0,0,0,0,0|3,0,0]=3 29 B11R2.10 CC1=NC2=NN=COC2=C1 CNP0000855.0 [0,0,0,0,0,0|4,0,0]=4 30 B11R2.10 CC1=NC2=NOC=CC2=N1 CNP0372558.0 [0,0,0,0,0,0|4,0,0]=4 31 B11R2.10 CC1=NC2=NOC=NC2=C1 CNP0001120.0 [0,0,0,0,0,0|4,0,0]=4 32 B11R2.10 CC1=NC2=NON=CC2=C1 CNP0046496.0 [0,0,0,0,0,0|4,0,0]=4 33 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 CNP0247446.2 [0,0,0,0,0,0|1,0,2]=3 34 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 CNP0247446.1 [0,0,0,0,0,0|1,0,2]=3 35 B11R2.10 ClC1=CC2=CC=CC=C2N1 CNP0429411.0 [0,0,0,0,0,0|2,0,0]=2 36 B11R2.10 N=C1C=C2C=CC=NN2O1 CNP0387241.0 [0,0,0,0,0,0|3,0,0]=3 37 B11R2.10 N=C1C=C2C=CN=CN2O1 CNP0336494.0 [0,0,0,0,0,0|3,0,0]=3 38 B11R2.10 N=C1C=C2C=CNN=C2O1 CNP0049954.0 [0,0,0,0,0,0|3,0,0]=3 39 B11R2.10 N=C1C=C2C=CNOC2=N1 CNP0024543.0 [0,0,0,0,0,0|4,0,0]=4 40 B11R2.10 N=C1C=C2C=NC=CN2O1 CNP0001059.0 [0,0,0,0,0,0|3,0,0]=3 41 B11R2.10 N=C1C=C2C=NNC=C2O1 CNP0001005.0 [0,0,0,0,0,0|3,0,0]=3 42 B11R2.10 N=C1C=C2N=CC=CN2O1 CNP0001155.0 [0,0,0,0,0,0|3,0,0]=3 43 B11R2.10 N=C1C=C2NC=CN=C2O1 CNP0000985.0 [0,0,0,0,0,0|3,0,0]=3 44 B11R2.10 N=C1C=C2NC=COC2=N1 CNP0001067.0 [0,0,0,0,0,0|4,0,0]=4 45 B11R2.10 N=C1C=C2NC=NC=C2O1 CNP0001062.0 [0,0,0,0,0,0|3,0,0]=3 46 B11R2.10 N=C1C=C2NN=CC=C2O1 CNP0150056.0 [0,0,0,0,0,0|3,0,0]=3 47 B11R2.10 N=C1C=C2NOC=CC2=N1 CNP0345754.0 [0,0,0,0,0,0|4,0,0]=4 48 B11R2.10 N=C1C=C2ONC=CC2=N1 CNP0414689.0 [0,0,0,0,0,0|4,0,0]=4 49 B11R2.10 N=C1N=C2C=CC=CN2O1 CNP0411538.0 [0,0,0,0,0,0|3,0,0]=3 50 B11R2.10 N=C1N=C2C=CNC=C2O1 CNP0061872.0 [0,0,0,0,0,0|3,0,0]=3 51 B11R2.10 N=C1NC2=CC=CC=C2N1 CNP0097810.0 [0,0,0,0,0,0|3,0,0]=3 52 B11R2.10 NC1=CC2=CC=NN=C2O1 CNP0014144.0 [0,0,0,0,0,0|3,0,0]=3 53 B11R2.10 NC1=CC2=CC=NOC2=N1 CNP0001168.0 [0,0,0,0,0,0|4,0,0]=4 54 B11R2.10 NC1=CC2=CN=CN=C2O1 CNP0001254.0 [0,0,0,0,0,0|3,0,0]=3 55 B11R2.10 NC1=CC2=CN=COC2=N1 CNP0139819.0 [0,0,0,0,0,0|4,0,0]=4 56 B11R2.10 NC1=CC2=CN=NC=C2O1 CNP0001074.0 [0,0,0,0,0,0|3,0,0]=3 57 B11R2.10 NC1=CC2=COC=NC2=N1 CNP0001195.0 [0,0,0,0,0,0|4,0,0]=4 58 B11R2.10 NC1=CC2=CON=CC2=N1 CNP0145481.0 [0,0,0,0,0,0|4,0,0]=4 59 B11R2.10 NC1=CC2=NC=CN=C2O1 CNP0090498.0 [0,0,0,0,0,0|3,0,0]=3 60 B11R2.10 NC1=CC2=NC=COC2=N1 CNP0291334.0 [0,0,0,0,0,0|4,0,0]=4 61 B11R2.10 NC1=CC2=NC=NC=C2O1 CNP0001259.0 [0,0,0,0,0,0|3,0,0]=3 62 B11R2.10 NC1=CC2=NN=CC=C2O1 CNP0318676.0 [0,0,0,0,0,0|3,0,0]=3 63 B11R2.10 NC1=CC2=NOC=CC2=N1 CNP0154314.0 [0,0,0,0,0,0|4,0,0]=4 64 B11R2.10 NC1=NC2=CC=CC=C2N1 CNP0568172.0 [0,0,0,0,0,0|3,0,0]=3 65 B11R2.10 NC1=NC2=CC=CC=C2S1 CNP0256238.0 [0,0,0,0,0,0|2,1,0]=3 66 B11R2.10 NC1=NC2=CC=CN=C2O1 CNP0001317.0 [0,0,0,0,0,0|3,0,0]=3 67 B11R2.10 NC1=NC2=CC=COC2=N1 CNP0112216.0 [0,0,0,0,0,0|4,0,0]=4 68 B11R2.10 NC1=NC2=CC=NC=C2O1 CNP0001315.0 [0,0,0,0,0,0|3,0,0]=3 69 B11R2.10 NC1=NC2=CC=NOC2=C1 CNP0001175.0 [0,0,0,0,0,0|4,0,0]=4 70 B11R2.10 NC1=NC2=CN=CC=C2O1 CNP0001331.0 [0,0,0,0,0,0|3,0,0]=3 71 B11R2.10 NC1=NC2=CN=COC2=C1 CNP0026157.0 [0,0,0,0,0,0|4,0,0]=4 72 B11R2.10 NC1=NC2=COC=CC2=N1 CNP0059928.0 [0,0,0,0,0,0|4,0,0]=4 73 B11R2.10 NC1=NC2=COC=NC2=C1 CNP0405393.0 [0,0,0,0,0,0|4,0,0]=4 74 B11R2.10 NC1=NC2=CON=CC2=C1 CNP0001186.0 [0,0,0,0,0,0|4,0,0]=4 75 B11R2.10 NC1=NC2=NC=CC=C2O1 CNP0095068.0 [0,0,0,0,0,0|3,0,0]=3 76 B11R2.10 NC1=NC2=NC=COC2=C1 CNP0226914.0 [0,0,0,0,0,0|4,0,0]=4 77 B11R2.10 NC1=NC2=NOC=CC2=C1 CNP0010461.0 [0,0,0,0,0,0|4,0,0]=4 78 B11R2.10 NC1N=C2C=CC=CC2=N1 CNP0551508.0 [0,0,0,0,0,0|3,0,1]=4 79 B11R2.10 O=C1C=C2C=CC=CC2=N1 CNP0594715.0 [0,0,0,0,0,0|2,0,0]=2 80 B11R2.10 O=C1C=C2C=COC=C2O1 CNP0541223.0 [0,0,0,0,0,0|2,0,0]=2 81 B11R2.10 O=C1C=C2CC=CC=C2O1 CNP0610824.0 [0,0,0,0,0,0|1,0,1]=2 82 B11R2.10 O=C1C=C2NNC=CC2=N1 CNP0000999.0 [0,0,0,0,0,0|4,0,0]=4 83 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [0,0,0,0,0,0|2,0,1]=3 84 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [0,0,0,0,0,0|1,0,1]=2 85 B11R2.10 O=C1NC2=CC=CC=C2O1 CNP0175268.0 [0,0,0,0,0,0|2,0,0]=2 86 B11R2.10 O=C1NC2=CC=CC=C2S1 CNP0569879.0 [0,0,0,0,0,0|2,1,0]=3 87 B11R2.10 O=C1NC2=CC=CN=C2N1 CNP0001340.0 [0,0,0,0,0,0|4,0,0]=4 88 B11R2.10 O=C1NC2=CC=NC=C2N1 CNP0001335.0 [0,0,0,0,0,0|4,0,0]=4 89 B11R2.10 O=C1NC2C=CC=CC2O1 CNP0086322.0 [0,0,0,0,0,0|2,0,2]=4 90 B11R2.10 OC1=CC2=CC=NNC2=N1 CNP0001048.0 [0,0,0,0,0,0|4,0,0]=4 91 B11R2.10 OC1=CC2=CN=CN=C2N1 CNP0001295.0 [0,0,0,0,0,0|4,0,0]=4 92 B11R2.10 OC1=CC2=CN=NC=C2N1 CNP0331555.0 [0,0,0,0,0,0|4,0,0]=4 93 B11R2.10 OC1=CC2=CNN=CC2=N1 CNP0001039.0 [0,0,0,0,0,0|4,0,0]=4 94 B11R2.10 OC1=CC2=NC=CNC2=N1 CNP0307781.0 [0,0,0,0,0,0|4,0,0]=4 95 B11R2.10 OC1=CC2=NC=NC=C2N1 CNP0389179.0 [0,0,0,0,0,0|4,0,0]=4 96 B11R2.10 OC1=CC2=NN=CC=C2N1 CNP0000836.0 [0,0,0,0,0,0|4,0,0]=4 97 B11R2.10 OC1=CC2=NNC=CC2=N1 CNP0001046.0 [0,0,0,0,0,0|4,0,0]=4 98 B11R2.10 OC1=CN2C=CC=NC2=N1 CNP0157726.0 [0,0,0,0,0,0|4,0,0]=4 99 B11R2.10 OC1=CN2C=CN=CC2=N1 CNP0001257.0 [0,0,0,0,0,0|4,0,0]=4 100 B11R2.10 OC1=CN2C=NC=CC2=N1 CNP0001170.0 [0,0,0,0,0,0|4,0,0]=4 101 B11R2.10 OC1=CN2N=CC=CC2=N1 CNP0342651.0 [0,0,0,0,0,0|4,0,0]=4 102 B11R2.10 OC1=NC2=CC=CC=C2C1 CNP0587736.0 [0,0,0,0,0,0|2,0,1]=3 103 B11R2.10 OC1=NC2=CC=CC=C2O1 CNP0479137.0 [0,0,0,0,0,0|2,0,0]=2 104 B11R2.10 OC1=NC2=CC=CC=C2S1 CNP0172585.0 [0,0,0,0,0,0|2,1,0]=3 105 B11R2.10 OC1=NC2=CC=NNC2=C1 CNP0204425.0 [0,0,0,0,0,0|4,0,0]=4 106 B11R2.10 OC1=NC2=CN=CNC2=C1 CNP0083757.0 [0,0,0,0,0,0|4,0,0]=4 107 B11R2.10 OC1=NC2=CNC=CC2=N1 CNP0001211.0 [0,0,0,0,0,0|4,0,0]=4 108 B11R2.10 OC1=NC2=CNN=CC2=C1 CNP0001038.0 [0,0,0,0,0,0|4,0,0]=4 109 B11R2.10 OC1=NC2=NC=CNC2=C1 CNP0143567.0 [0,0,0,0,0,0|4,0,0]=4 110 B11R2.10 OC1=NC2=NNC=CC2=C1 CNP0001028.0 [0,0,0,0,0,0|4,0,0]=4 111 B11R2.10 OC1=NC2C=CC=CC2O1 CNP0546948.0 [0,0,0,0,0,0|2,0,2]=4 112 B11R2.10 OC1=NN2C=CC=CC2=N1 CNP0001217.0 [0,0,0,0,0,0|4,0,0]=4 113 B11R2.10 OC1=NN2C=CC=NC2=C1 CNP0007105.0 [0,0,0,0,0,0|4,0,0]=4 114 B11R2.10 OC1=NN2C=CN=CC2=C1 CNP0340224.0 [0,0,0,0,0,0|4,0,0]=4 115 B11R2.10 OC1=NN2C=NC=CC2=C1 CNP0001151.0 [0,0,0,0,0,0|4,0,0]=4 116 B11R2.10 OC1=NN2N=CC=CC2=C1 CNP0064488.0 [0,0,0,0,0,0|4,0,0]=4 117 B11R2.10 ON1C=C2C=CC=NC2=N1 CNP0000978.0 [0,0,0,0,0,0|4,0,0]=4 118 B11R2.10 ON1C=C2C=CN=CC2=N1 CNP0000993.0 [0,0,0,0,0,0|4,0,0]=4 119 B11R2.10 ON1C=C2C=NC=CC2=N1 CNP0259967.0 [0,0,0,0,0,0|4,0,0]=4 120 B11R2.10 ON1C=C2N=CC=CC2=N1 CNP0001002.0 [0,0,0,0,0,0|4,0,0]=4 121 B11R2.10 ON1N=C2C=CC=CC2=N1 CNP0001267.0 [0,0,0,0,0,0|4,0,0]=4 122 B11R2.10 S=C1N=C2C=CC=CC2=N1 CNP0444461.0 [0,0,0,0,0,0|3,0,0]=3 123 B11R2.10 S=C1NC2=CC=CC=C2S1 CNP0144165.0 [0,0,0,0,0,0|2,1,0]=3 124 B11R2.10 SC1=NC2=CC=CC=C2N1 CNP0475824.0 [0,0,0,0,0,0|3,0,0]=3 125 B11R2.10 SC1=NC2=CC=CC=C2S1 CNP0527049.0 [0,0,0,0,0,0|2,1,0]=3 126 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [1,0,0,0,0,0|2,0,0]=3 127 B10R2.7 C1=CC2=C(C=N1)SC=C2 CNP0610548.0 [1,0,0,0,0,0|1,1,0]=3 128 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,0,0,0|1,0,0]=2 129 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [1,0,0,0,0,0|1,0,0]=2 130 B10R2.7 C1=CC2=CC=CN2C=C1 CNP0429574.0 [1,0,0,0,0,0|2,0,0]=3 131 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [1,0,0,0,0,0|2,0,0]=3 132 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [1,0,0,0,0,0|2,0,0]=3 133 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [1,0,0,0,0,0|2,0,0]=3 134 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [1,0,0,0,0,0|2,0,0]=3 135 B10R2.7 C1=CC2=NC=CN=C2C1 CNP0002558.0 [1,0,0,0,0,0|3,0,0]=4 136 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,0,0,0|1,0,2]=4 137 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,0,0,0|2,0,1]=4 138 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [1,0,0,0,0,0|1,0,0]=2 139 B10R2.7 C1=CC=C2NC=NC2=C1 CNP0449067.0 [1,0,0,0,0,0|2,0,0]=3 140 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,0,0,0|1,0,2]=4 141 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [1,0,0,0,0,0|2,0,0]=3 142 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,0,0,0|0,0,0]=1 143 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,0,0,0|1,0,0]=2 144 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,0,0,0|0,0,2]=3 145 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [1,0,0,0,0,0|1,0,1]=3 146 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [1,0,0,0,0,0|0,1,0]=2 147 B10R2.7 C1=CC=C2SC=NC2=C1 CNP0300295.0 [1,0,0,0,0,0|1,1,0]=3 148 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [1,0,0,0,0,0|1,1,1]=4 149 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [1,0,0,0,0,0|1,1,0]=3 150 B10R2.7 C1=CN2C=CN=CC2=C1 CNP0287056.0 [1,0,0,0,0,0|3,0,0]=4 151 B10R2.7 C1=CN=C2NC=CC2=C1 CNP0134937.0 [1,0,0,0,0,0|2,0,0]=3 152 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,0,0,0|1,0,1]=3 153 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 CNP0030308.0 [0,1,0,0,0,0|2,0,0]=3 154 B12R2.18 C=C1C2=CC=CC=C2OC1O CNP0201067.0 [0,1,0,0,0,0|1,0,1]=3 155 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [0,1,0,0,0,0|1,0,0]=2 156 B12R2.18 CC1=C(C2=CC=CC=C2O1)C CNP0053297.0 [0,1,0,0,0,0|0,0,0]=1 157 B12R2.18 CC1=C(NC2=CN=CC=C12)N CNP0345607.0 [0,1,0,0,0,0|3,0,0]=4 158 B12R2.18 CC1=C2C=COC=C2OC1=O CNP0206179.0 [0,1,0,0,0,0|2,0,0]=3 159 B12R2.18 CC1=CC2=CC=CC=C2[C@@H]1O CNP0325411.2 [0,1,0,0,0,0|1,0,0]=2 160 B12R2.18 CC1=CC2=CC=CC=C2[C@H]1O CNP0325411.1 [0,1,0,0,0,0|1,0,0]=2 161 B12R2.18 CC1=[N+](C2=CC=CC=C2S1)[O-] CNP0536577.0 [0,1,0,0,0,0|1,1,0]=3 162 B12R2.18 CC1C(=O)OC2=CN=CC=C12 CNP0564077.0 [0,1,0,0,0,0|2,0,1]=4 163 B12R2.18 CN1C(=NC2=CC=CC=C12)N CNP0056889.0 [0,1,0,0,0,0|3,0,0]=4 164 B12R2.18 CN1C(=O)CC2=CC=CC=C12 CNP0182982.0 [0,1,0,0,0,0|2,0,1]=4 165 B12R2.18 CN1C(=O)OC2=CC=CC=C12 CNP0555396.0 [0,1,0,0,0,0|2,0,0]=3 166 B12R2.18 CN1C(=S)SC2=CC=CC=C12 CNP0018105.0 [0,1,0,0,0,0|2,1,0]=4 167 B12R2.18 C[C@@H]1C(=NC2=CC=CC=C12)O CNP0479442.1 [0,1,0,0,0,0|2,0,1]=4 168 B12R2.18 C[C@@H]1C(=O)NC2=CC=CC=C12 CNP0235439.1 [0,1,0,0,0,0|2,0,1]=4 169 B12R2.18 C[C@@H]1CC2=CC=CC=C2C1=O CNP0054143.2 [0,1,0,0,0,0|1,0,1]=3 170 B12R2.18 C[C@H]1CC2=CC=CC=C2C1=O CNP0054143.1 [0,1,0,0,0,0|1,0,1]=3 171 B12R2.18 O=C1C(=NC2=CC=CC=C12)O CNP0512501.0 [0,1,0,0,0,0|2,0,0]=3 172 B12R2.18 O=C1NC2=CC=CC=C2C1=O CNP0320767.0 [0,1,0,0,0,0|2,0,0]=3 173 B12R2.18 O=C1NC2=CC=CC=C2[C@@H]1O CNP0273186.1 [0,1,0,0,0,0|2,0,1]=4 174 B12R2.18 OC1=C(C2=CC=CC=C2N1)O CNP0017813.0 [0,1,0,0,0,0|2,0,0]=3 175 B12R2.18 OC1=NC2=CC=CC=C2[C@@H]1O CNP0535565.1 [0,1,0,0,0,0|2,0,1]=4 176 B12R2.32 CCC1=NC2=CC=CC=C2N1 CNP0080017.0 [0,1,0,0,0,0|2,0,0]=3 177 B12R2.32 CCC1=NC2=CC=CC=C2S1 CNP0002561.0 [0,1,0,0,0,0|1,1,0]=3 178 B12R2.32 CNC1=NC2=CC=CC=C2S1 CNP0054495.0 [0,1,0,0,0,0|1,1,0]=3 179 B12R2.32 COC1=NC2=CC=CC=C2S1 CNP0023995.0 [0,1,0,0,0,0|1,1,0]=3 180 B12R2.32 CSC1=NC2=CC=CC=C2S1 CNP0071009.0 [0,1,0,0,0,0|1,1,0]=3 181 B12R2.32 N#CC1=CC2=CC=CC=C2C1 CNP0127189.0 [0,1,0,0,0,0|1,0,1]=3 182 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CNP0003119.0 [0,1,0,0,0,0|0,0,1]=2 183 B12R2.32 ON=C1CC2=CC=CC=C2C1 CNP0396553.0 [0,1,0,0,0,0|2,0,1]=4 184 B12R2.202 CC1=C2OC(=O)C=C2C=CO1 CNP0534449.0 [0,1,0,0,0,0|2,0,0]=3 185 B12R2.202 CC1=CC2=C(C=CC=C2N1)C CNP0325011.0 [0,1,0,0,0,0|1,0,0]=2 186 B12R2.202 C[C@@H]1CC2=CC=CC(=C2C1)O CNP0223083.1 [0,1,0,0,0,0|1,0,2]=4 187 B12R2.202 O=C1CC2=C(C=CC=C2O1)O CNP0488762.0 [0,1,0,0,0,0|1,0,1]=3 188 B12R2.202 O=C1NC2=C(C=CC=C2O1)O CNP0492903.0 [0,1,0,0,0,0|2,0,0]=3 189 B12R2.606 CC1=CC2=CC(=O)OC2=CO1 CNP0522560.0 [0,1,0,0,0,0|2,0,0]=3 190 B12R2.606 CC1=CC=C2N=C(SC2=C1)N CNP0065515.0 [0,1,0,0,0,0|2,1,0]=4 191 B12R2.606 CC1=CC=C2SC(=CC2=N1)C CNP0230273.0 [0,1,0,0,0,0|1,1,0]=3 192 B12R2.606 N=C1NC2=CC(=CC=C2O1)Cl CNP0335896.0 [0,1,0,0,0,0|2,0,0]=3 193 B12R2.606 N=C1NC2=CC=C(C=C2N1)O CNP0547413.0 [0,1,0,0,0,0|3,0,0]=4 194 B12R2.606 NC1=NC2=CC(=CC=C2O1)Cl CNP0499273.0 [0,1,0,0,0,0|2,0,0]=3 195 B12R2.606 O=C1CC2=CC(=CC=C2N1)Br CNP0029487.0 [0,1,0,0,0,0|2,0,1]=4 196 B12R2.606 O=C1CC2=CC(=CC=C2N1)Cl CNP0609117.0 [0,1,0,0,0,0|2,0,1]=4 197 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CNP0080133.0 [0,1,0,0,0,0|2,0,1]=4 198 B12R2.606 O=C1CC2=CC(=CC=C2O1)O CNP0197068.0 [0,1,0,0,0,0|1,0,1]=3 199 B12R2.606 O=C1CC2=CC=C(C=C2N1)Br CNP0170267.0 [0,1,0,0,0,0|2,0,1]=4 200 B12R2.606 O=C1CC2=CC=C(C=C2N1)O CNP0215355.0 [0,1,0,0,0,0|2,0,1]=4 201 B12R2.606 O=C1CC2=CC=C(C=C2O1)O CNP0517521.0 [0,1,0,0,0,0|1,0,1]=3 202 B12R2.606 O=C1NC2=CC(=CC=C2O1)Cl CNP0486668.0 [0,1,0,0,0,0|2,0,0]=3 203 B12R2.606 O=C1NC2=CC=C(C=C2O1)O CNP0377919.0 [0,1,0,0,0,0|2,0,0]=3 204 B12R2.606 O=C1NC2=CC=C(C=C2S1)O CNP0192870.0 [0,1,0,0,0,0|2,1,0]=4 205 B12R2.606 O=C1OC2=CC(=CC=C2S1)O CNP0374905.0 [0,1,0,0,0,0|2,0,0]=3 206 B12R2.606 OC1=CC=C2NC(=CC2=C1)O CNP0292533.0 [0,1,0,0,0,0|2,0,0]=3 207 B12R2.606 OC1=NC2=CC(=CC=C2O1)Cl CNP0199487.0 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [0,0,1,0,0,0|1,0,2]=4 209 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [0,0,1,0,0,0|0,0,2]=3 210 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [0,0,1,0,0,0|0,0,2]=3 211 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [0,0,1,0,0,0|2,0,1]=4 212 B10R1.4 CC=CC1=C(C=CCC1)C CNP0266247.0 [0,0,1,0,0,0|1,0,2]=4 213 B10R1.4 CC=CC1=NC=CN=C1C CNP0073358.0 [0,0,1,0,0,0|3,0,0]=4 214 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [0,0,1,0,0,0|1,0,2]=4 215 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [0,0,1,0,0,0|1,0,2]=4 216 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [0,0,1,0,0,0|0,0,2]=3 217 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [0,0,1,0,0,0|0,0,2]=3 218 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [0,0,1,0,0,0|2,0,1]=4 219 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [0,0,1,0,0,0|1,0,2]=4 220 B10R1.4 NC1=CC=CC=C1C=NO CNP0310844.0 [0,0,1,0,0,0|3,0,0]=4 221 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [0,0,1,0,0,0|1,0,2]=4 222 B10R1.4 NNC=C1C=CC=CC1=O CNP0076151.0 [0,0,1,0,0,0|2,0,1]=4 223 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [0,0,1,0,0,0|2,0,0]=3 224 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [0,0,1,0,0,0|1,0,2]=4 225 B10R1.4 ON=CC1=CC=CC=C1Br CNP0040923.0 [0,0,1,0,0,0|3,0,0]=4 226 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [0,0,1,0,0,0|2,0,0]=3 227 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [0,0,1,0,0,0|2,0,0]=3 228 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,0,1,0,0,0|1,0,0]=2 229 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,0,1,0,0,0|1,0,0]=2 230 B10R1.18 CC(=CC1=CC=CCC1)C CNP0608490.0 [0,0,1,0,0,0|1,0,2]=4 231 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,0,1,0,0,0|1,0,1]=3 232 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,0,1,0,0,0|0,0,2]=3 233 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,0,1,0,0,0|1,0,1]=3 234 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,0,1,0,0,0|1,0,0]=2 235 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,0,1,0,0,0|2,0,0]=3 236 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [0,0,1,0,0,0|2,0,1]=4 237 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,0,1,0,0,0|1,1,0]=3 238 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,0,1,0,0,0|1,0,2]=4 239 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [0,0,1,0,0,0|1,0,2]=4 240 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,0,1,0,0,0|2,0,1]=4 241 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,0,1,0,0,0|1,0,2]=4 242 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,0,1,0,0,0|1,0,2]=4 243 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,0,1,0,0,0|1,0,2]=4 244 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,0,1,0,0,0|1,0,2]=4 245 B10R1.18 ClB(Cl)OC1=CC=CC=C1 CNP0308358.0 [0,0,1,0,0,0|3,0,0]=4 246 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [0,0,1,0,0,0|2,0,1]=4 247 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [0,0,1,0,0,0|2,1,0]=4 248 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,0,1,0,0,0|1,0,2]=4 249 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [0,0,1,0,0,0|2,0,1]=4 250 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [0,0,1,0,0,0|2,1,0]=4 251 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,0,1,0,0,0|1,0,2]=4 252 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,0,1,0,0,0|1,0,2]=4 253 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,0,1,0,0,0|1,0,1]=3 254 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,0,1,0,0,0|2,0,1]=4 255 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,0,1,0,0,0|1,0,2]=4 256 B10R1.130 CC1=CC(=O)OC1=CC=O CNP0123742.0 [0,0,1,0,0,0|2,0,1]=4 257 B10R1.130 NC1=CC(=O)OC1=CC=O CNP0285411.0 [0,0,1,0,0,0|3,0,0]=4 258 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,0,0,0,1,0|0,0,2]=3 259 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,0,0,0,1,0|0,0,2]=3 260 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [0,0,0,0,1,0|1,0,2]=4 261 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [0,0,0,0,1,0|1,0,2]=4 262 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [0,0,0,0,1,0|1,0,2]=4 263 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [0,0,0,0,1,0|1,0,2]=4 264 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [0,0,0,0,1,0|1,0,1]=3 265 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [0,0,0,0,1,0|1,0,2]=4 266 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [0,0,0,0,1,0|1,0,2]=4 267 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CNP0140727.0 [0,0,0,0,0,1|1,0,0]=2 268 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [0,0,0,0,0,1|1,0,0]=2 269 B12R2.24 CC1=CC=C2C=CC=CC2=N1 CNP0281354.0 [0,0,0,0,0,1|1,0,0]=2 270 B12R2.24 CC1=CC=C2C=CC=NC2=C1 CNP0141465.0 [0,0,0,0,0,1|2,0,0]=3 271 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CNP0266426.0 [0,0,0,0,0,1|2,0,0]=3 272 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CNP0300772.0 [0,0,0,0,0,1|2,0,0]=3 273 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CNP0194351.0 [0,0,0,0,0,1|3,0,0]=4 274 B12R2.24 CC1=CN=C2C=CC=CC2=C1 CNP0281887.0 [0,0,0,0,0,1|1,0,0]=2 275 B12R2.24 CC1=CN=C2C=CC=CC2=N1 CNP0280946.0 [0,0,0,0,0,1|1,0,0]=2 276 B12R2.24 CC1=CN=C2N=CC=CC2=C1 CNP0538871.0 [0,0,0,0,0,1|2,0,0]=3 277 B12R2.24 CN1CCC2=CC=CC=C2C1 CNP0123682.0 [0,0,0,0,0,1|2,0,1]=4 278 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 CNP0516094.0 [0,0,0,0,0,1|2,0,0]=3 279 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 CNP0033055.0 [0,0,0,0,0,1|2,0,0]=3 280 B12R2.24 NC1=CC=C2C=CC=CC2=C1 CNP0262883.0 [0,0,0,0,0,1|2,0,0]=3 281 B12R2.24 NC1=CC=C2C=CC=CC2=N1 CNP0246278.0 [0,0,0,0,0,1|2,0,0]=3 282 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CNP0060887.0 [0,0,0,0,0,1|3,0,0]=4 283 B12R2.24 NC1=CN=C2C=CC=CC2=C1 CNP0222196.0 [0,0,0,0,0,1|2,0,0]=3 284 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,0,0,0,0,1|2,0,0]=3 285 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [0,0,0,0,0,1|2,0,0]=3 286 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [0,0,0,0,0,1|1,0,0]=2 287 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,0,0,0,0,1|1,0,1]=3 288 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,0,0,1|2,0,1]=4 289 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,0,0,1|2,0,1]=4 290 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,0,0,1|1,0,1]=3 291 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,0,0,0,0,1|2,0,0]=3 292 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,0,0,0,0,1|1,0,1]=3 293 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [0,0,0,0,0,1|2,0,0]=3 294 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CNP0320773.0 [0,0,0,0,0,1|2,0,0]=3 295 B12R2.24 OC1=CC=C2C=CC=CC2=N1 CNP0325103.0 [0,0,0,0,0,1|2,0,0]=3 296 B12R2.24 OC1=CN=C2C=CC=CC2=C1 CNP0597819.0 [0,0,0,0,0,1|2,0,0]=3 297 B12R2.24 OC1=NC=C2C=CC=CC2=N1 CNP0582642.0 [0,0,0,0,0,1|2,0,0]=3 298 B12R2.24 SC1=CC=C2C=CC=CC2=C1 CNP0003640.0 [0,0,0,0,0,1|2,0,0]=3 299 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [0,0,0,0,0,1|1,0,0]=2 300 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,1,0,0,0|1,0,0]=3 301 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,0,1,0,0,0|0,0,0]=2 302 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,0,1,0,0,0|0,1,0]=3 303 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,1,0,0,0|0,0,0]=2 304 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,0,1,0,0,0|1,0,0]=3 305 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [1,0,1,0,0,0|2,0,0]=4 306 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,1,0,0,0|0,0,2]=4 307 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,1,0,0,0|1,0,1]=4 308 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,1,0,0,0|0,0,1]=3 309 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,0,1,0,0,0|1,0,1]=4 310 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,1,0,0,0|1,0,1]=4 311 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,1,0,0,0|1,0,1]=4 312 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,1,0,0,0|1,0,1]=4 313 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,1,0,0,0|1,1,0]=4 314 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,1,0,0,0|0,0,2]=4 315 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,0,1,0,0,0|1,0,1]=4 316 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,0,1,0,0,0|1,0,0]=3 317 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,0,1,0,0,0|1,0,1]=4 318 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,0,1,0,0,0|0,0,2]=4 319 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,0,1,0,0,0|1,0,0]=3 320 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,0,1,0,0,0|1,0,1]=4 321 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,0,1,0,0,0|1,0,0]=3 322 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,0,1,0,0,0|0,0,0]=2 323 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,0,1,0,0,0|1,0,1]=4 324 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,0,1,0,0,0|1,0,1]=4 325 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,0,1,0,0,0|0,0,2]=4 326 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,0,1,0,0,0|1,0,1]=4 327 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,0,1,0,0,0|0,0,1]=3 328 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,0,1,0,0,0|0,1,1]=4 329 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,0,1,0,0,0|1,0,1]=4 330 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,0,1,0,0,0|0,0,1]=3 331 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,0,1,0,0,0|1,0,0]=3 332 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,0,1,0,0,0|1,0,0]=3 333 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [1,0,1,0,0,0|1,0,1]=4 334 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [1,0,1,0,0,0|2,0,0]=4 335 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [1,0,1,0,0,0|2,0,0]=4 336 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [1,0,1,0,0,0|2,0,0]=4 337 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,0,1,0,0,0|2,0,0]=4 338 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,0,1,0,0,0|1,0,0]=3 339 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,0,1,0,0,0|2,0,0]=4 340 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,0,1,0,0,0|1,0,1]=4 341 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,0,1,0,0,0|2,0,0]=4 342 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,0,1,0,0,0|1,0,0]=3 343 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,0,1,0,0,0|1,0,1]=4 344 B9R1.7 CC1=CC=C(O1)C=NO CNP0143047.0 [1,0,1,0,0,0|2,0,0]=4 345 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [1,0,1,0,0,0|1,0,0]=3 346 B9R1.103 C1=CC=CSC=CC=C1 CNP0542373.0 [1,0,1,0,0,0|0,1,0]=3 347 B11R1.13 C=CCC1=CC=CC(=C1O)C CNP0326275.0 [0,1,1,0,0,0|0,0,2]=4 348 B11R1.13 C=CCC1=CC=CC(=C1O)O CNP0228309.0 [0,1,1,0,0,0|0,0,2]=4 349 B11R1.13 CC1=C(C=CC=C1OC=O)N CNP0257117.0 [0,1,1,0,0,0|1,0,1]=4 350 B11R1.13 CC1=CC=CC(=C1N)OC=O CNP0301878.0 [0,1,1,0,0,0|2,0,0]=4 351 B11R1.13 CCCC1=CC=CC(=C1O)O CNP0519779.0 [0,1,1,0,0,0|0,0,2]=4 352 B11R1.13 CCOC1=CC=CC(=C1C)C CNP0186598.0 [0,1,1,0,0,0|0,0,2]=4 353 B11R1.13 CCOC1=CC=CC(=C1C)O CNP0350443.0 [0,1,1,0,0,0|0,0,2]=4 354 B11R1.17 C=CCOC1=CC=CC=C1O CNP0343485.0 [0,1,1,0,0,0|0,0,2]=4 355 B11R1.17 CC1=CC=CC=C1COC=O CNP0058741.0 [0,1,1,0,0,0|1,0,1]=4 356 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [0,1,1,0,0,0|0,0,2]=4 357 B11R1.17 CCCOC1=CC=CC=C1O CNP0327850.0 [0,1,1,0,0,0|0,0,2]=4 358 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [0,1,1,0,0,0|0,0,2]=4 359 B11R1.17 O=CC=CC1=CC=CC=C1O CNP0237654.0 [0,1,1,0,0,0|0,0,1]=3 360 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [0,1,1,0,0,0|0,0,2]=4 361 B11R1.41 CCOC1=CC=CC=C1C=O CNP0187800.0 [0,1,1,0,0,0|0,0,1]=3 362 B11R1.41 CCOC1=CC=CC=C1OC CNP0003445.0 [0,1,1,0,0,0|0,0,2]=4 363 B11R1.81 C=CCC1=CC=C(C=C1O)O CNP0329689.0 [0,1,1,0,0,0|0,0,2]=4 364 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [0,1,1,0,0,0|0,0,0]=2 365 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [0,1,1,0,0,0|0,0,2]=4 366 B11R1.81 CCOC1=CC=C(C=C1Br)Br CNP0017924.0 [0,1,1,0,0,0|1,0,1]=4 367 B11R1.81 CNCC1=CC=C(C=C1O)Cl CNP0445122.0 [0,1,1,0,0,0|1,0,1]=4 368 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,1,1,0,0,0|2,0,0]=4 369 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,1,1,0,0,0|1,0,1]=4 370 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,1,1,0,0,0|2,0,0]=4 371 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,1,1,0,0,0|1,0,0]=3 372 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,1,1,0,0,0|1,0,0]=3 373 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,1,1,0,0,0|0,0,1]=3 374 B11R1.86 CC(=O)OC1=COC=CC1=O CNP0156706.0 [0,1,1,0,0,0|2,0,0]=4 375 B11R1.86 CC(C)CC1=CC=CC=C1O CNP0325135.0 [0,1,1,0,0,0|0,0,2]=4 376 B11R1.86 CC(C)OC1=CC=CC=C1O CNP0590959.0 [0,1,1,0,0,0|1,0,1]=4 377 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,1,1,0,0,0|1,0,1]=4 378 B11R1.182 C=CCC1=CC(=CC=C1O)C CNP0574196.0 [0,1,1,0,0,0|0,0,2]=4 379 B11R1.182 CCOC1=CC(=CC=C1C)C CNP0288250.0 [0,1,1,0,0,0|0,0,2]=4 380 B11R1.182 CCOC1=CC(=O)C=CC1=O CNP0125200.0 [0,1,1,0,0,0|1,0,1]=4 381 B11R1.182 COCC1=CC(=CC=C1O)O CNP0113294.0 [0,1,1,0,0,0|1,0,1]=4 382 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [0,1,1,0,0,0|1,0,1]=4 383 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [0,1,1,0,0,0|0,0,2]=4 384 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [0,1,1,0,0,0|2,0,0]=4 385 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [0,1,1,0,0,0|2,0,0]=4 386 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [0,1,1,0,0,0|1,0,0]=3 387 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [0,1,1,0,0,0|2,0,0]=4 388 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [0,1,1,0,0,0|1,0,0]=3 389 B11R1.605 CCCC1=C(C=CC=C1O)C CNP0602938.0 [0,1,1,0,0,0|0,0,2]=4 390 B11R1.605 CCOC1=C(C=CC=C1C)C CNP0305995.0 [0,1,1,0,0,0|0,0,2]=4 391 B11R1.39 C=CC(=CC1=CC(=CO1)C)C CNP0161255.0 [0,1,1,0,0,0|2,0,0]=4 392 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,1,1,0,0,0|1,0,0]=3 393 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,1,1,0,0,0|0,0,2]=4 394 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,1,1,0,0,0|0,0,2]=4 395 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,1,1,0,0,0|1,0,1]=4 396 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,1,1,0,0,0|1,0,1]=4 397 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,1,1,0,0,0|1,0,1]=4 398 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,1,1,0,0,0|1,0,0]=3 399 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,1,1,0,0,0|1,0,0]=3 400 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,1,1,0,0,0|1,0,0]=3 401 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,1,1,0,0,0|1,0,1]=4 402 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,1,1,0,0,0|1,0,1]=4 403 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,1,1,0,0,0|1,0,1]=4 404 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [0,1,1,0,0,0|2,0,0]=4 405 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,1,1,0,0,0|1,0,0]=3 406 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,1,1,0,0,0|0,0,1]=3 407 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 CNP0127365.0 [0,1,1,0,0,0|1,0,1]=4 408 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CNP0071076.0 [0,1,1,0,0,0|2,0,0]=4 409 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [0,1,1,0,0,0|1,0,1]=4 410 B11R1.36 C[C@@H](N)C(=O)C1=CC=CC=C1 CNP0277529.2 [0,1,1,0,0,0|1,0,1]=4 411 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [0,1,1,0,0,0|0,0,2]=4 412 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [0,1,1,0,0,0|0,0,2]=4 413 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [0,1,1,0,0,0|1,0,1]=4 414 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 CNP0277529.1 [0,1,1,0,0,0|1,0,1]=4 415 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [0,1,1,0,0,0|0,0,2]=4 416 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [0,1,1,0,0,0|0,0,2]=4 417 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [0,1,1,0,0,0|1,0,1]=4 418 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [0,1,1,0,0,0|1,0,1]=4 419 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [0,1,1,0,0,0|1,0,1]=4 420 B11R1.36 O=C(C1=CC=CC=C1)C(O)O CNP0177704.0 [0,1,1,0,0,0|1,0,1]=4 421 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [0,1,1,0,0,0|1,0,1]=4 422 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,1,1,0,0,0|1,0,0]=3 423 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [0,1,1,0,0,0|1,0,1]=4 424 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [0,1,1,0,0,0|1,0,1]=4 425 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,1,1,0,0,0|0,0,1]=3 426 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [0,1,1,0,0,0|2,0,0]=4 427 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,1,1,0,0,0|0,0,2]=4 428 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,1,1,0,0,0|1,0,1]=4 429 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,1,1,0,0,0|1,0,0]=3 430 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [0,1,1,0,0,0|2,0,0]=4 431 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,1,1,0,0,0|0,0,2]=4 432 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,1,1,0,0,0|0,0,2]=4 433 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,1,1,0,0,0|1,1,0]=4 434 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,1,1,0,0,0|1,0,1]=4 435 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [0,1,1,0,0,0|2,0,0]=4 436 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,1,1,0,0,0|1,0,1]=4 437 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,1,1,0,0,0|1,0,1]=4 438 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [0,1,1,0,0,0|1,0,1]=4 439 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,1,1,0,0,0|0,0,2]=4 440 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,1,1,0,0,0|0,0,2]=4 441 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,1,1,0,0,0|1,0,1]=4 442 B11R1.157 CC(=CC1=CC(=CC=N1)C)C CNP0513587.0 [0,1,1,0,0,0|2,0,0]=4 443 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [0,1,1,0,0,0|1,0,1]=4 444 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [0,1,1,0,0,0|1,0,1]=4 445 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [0,1,1,0,0,0|1,0,1]=4 446 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [0,1,1,0,0,0|1,0,1]=4 447 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,1,1,0,0,0|1,0,0]=3 448 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [0,1,1,0,0,0|1,0,0]=3 449 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [0,1,1,0,0,0|1,0,1]=4 450 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [0,1,1,0,0,0|1,0,1]=4 451 B11R1.509 CC(C)(O)CC1=CC=CC=C1 CNP0255843.0 [0,1,1,0,0,0|0,0,2]=4 452 B11R2.1 BrC1=C2C=CC=CN2N=C1 CNP0121314.0 [1,1,0,0,0,0|2,0,0]=4 453 B11R2.1 BrC1=CN=C2N1C=CC=C2 CNP0437961.0 [1,1,0,0,0,0|2,0,0]=4 454 B11R2.1 BrC1=CNC2=CC=CC=C12 CNP0206140.0 [1,1,0,0,0,0|1,0,0]=3 455 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [1,1,0,0,0,0|0,1,0]=3 456 B11R2.1 BrC1=NOC2=NC=CC=C12 CNP0439531.0 [1,1,0,0,0,0|2,0,0]=4 457 B11R2.1 C=C1C=CC2=CC=CC=C12 CNP0560850.0 [1,1,0,0,0,0|1,0,0]=3 458 B11R2.1 C=C1C=NC2=CC=CC=C12 CNP0049672.0 [1,1,0,0,0,0|1,0,0]=3 459 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [1,1,0,0,0,0|1,0,0]=3 460 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [1,1,0,0,0,0|1,0,0]=3 461 B11R2.1 CC1=CNC2=CC=CN=C12 CNP0018040.0 [1,1,0,0,0,0|2,0,0]=4 462 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [1,1,0,0,0,0|0,1,0]=3 463 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [1,1,0,0,0,0|1,0,0]=3 464 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [1,1,0,0,0,0|1,0,0]=3 465 B11R2.1 ClC1=CNC2=CC=CC=C12 CNP0395645.0 [1,1,0,0,0,0|1,0,0]=3 466 B11R2.1 ClC1=NOC2=NC=CC=C12 CNP0066661.0 [1,1,0,0,0,0|2,0,0]=4 467 B11R2.1 NC1=CNC2=CC=CC=C12 CNP0109824.0 [1,1,0,0,0,0|1,0,0]=3 468 B11R2.1 NC1=COC2=CC=NN=C12 CNP0001076.0 [1,1,0,0,0,0|2,0,0]=4 469 B11R2.1 NC1=COC2=CN=CN=C12 CNP0001145.0 [1,1,0,0,0,0|2,0,0]=4 470 B11R2.1 NC1=COC2=CN=NC=C12 CNP0340616.0 [1,1,0,0,0,0|2,0,0]=4 471 B11R2.1 NC1=COC2=NC=CN=C12 CNP0001032.0 [1,1,0,0,0,0|2,0,0]=4 472 B11R2.1 NC1=COC2=NC=NC=C12 CNP0105855.0 [1,1,0,0,0,0|2,0,0]=4 473 B11R2.1 NC1=COC2=NN=CC=C12 CNP0312782.0 [1,1,0,0,0,0|2,0,0]=4 474 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [1,1,0,0,0,0|2,0,0]=4 475 B11R2.1 NC1=NOC2=CC=CN=C12 CNP0053623.0 [1,1,0,0,0,0|2,0,0]=4 476 B11R2.1 NC1=NOC2=CC=NC=C12 CNP0001313.0 [1,1,0,0,0,0|2,0,0]=4 477 B11R2.1 NC1=NOC2=CN=CC=C12 CNP0001314.0 [1,1,0,0,0,0|2,0,0]=4 478 B11R2.1 NC1=NOC2=NC=CC=C12 CNP0001338.0 [1,1,0,0,0,0|2,0,0]=4 479 B11R2.1 NC1=NSC2=CC=CC=C12 CNP0506740.0 [1,1,0,0,0,0|1,1,0]=4 480 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [1,1,0,0,0,0|2,0,0]=4 481 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [1,1,0,0,0,0|1,0,0]=3 482 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [1,1,0,0,0,0|1,0,1]=4 483 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [1,1,0,0,0,0|1,0,1]=4 484 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [1,1,0,0,0,0|0,0,1]=3 485 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [1,1,0,0,0,0|2,0,0]=4 486 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [1,1,0,0,0,0|2,0,0]=4 487 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [1,1,0,0,0,0|1,1,0]=4 488 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [1,1,0,0,0,0|2,0,0]=4 489 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [1,1,0,0,0,0|1,0,0]=3 490 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [1,1,0,0,0,0|2,0,0]=4 491 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [1,1,0,0,0,0|1,0,0]=3 492 B11R2.36 BrC1=CC=C2CC=CC2=C1 CNP0185507.0 [1,1,0,0,0,0|1,0,0]=3 493 B11R2.36 BrC1=CC=C2NC=CC2=C1 CNP0397727.0 [1,1,0,0,0,0|1,0,0]=3 494 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [1,1,0,0,0,0|1,0,0]=3 495 B11R2.36 CC1=CC=C2C=CSC2=N1 CNP0293549.0 [1,1,0,0,0,0|1,1,0]=4 496 B11R2.36 CC1=CC=C2N=CNC2=C1 CNP0512184.0 [1,1,0,0,0,0|2,0,0]=4 497 B11R2.36 CC1=CC=C2NC=CC2=C1 CNP0140015.0 [1,1,0,0,0,0|1,0,0]=3 498 B11R2.36 CC1=CC=C2SC=CC2=N1 CNP0115761.0 [1,1,0,0,0,0|1,1,0]=4 499 B11R2.36 N=C1C=C2C=CON2C=N1 CNP0364350.0 [1,1,0,0,0,0|2,0,0]=4 500 B11R2.36 N=C1C=C2OC=CN2C=N1 CNP0139484.0 [1,1,0,0,0,0|2,0,0]=4 501 B11R2.36 N=C1C=C2ONC=C2C=N1 CNP0000918.0 [1,1,0,0,0,0|2,0,0]=4 502 B11R2.36 N=C1C=CC2=CNOC2=N1 CNP0408247.0 [1,1,0,0,0,0|2,0,0]=4 503 B11R2.36 N=C1C=CC2=NNOC2=C1 CNP0000847.0 [1,1,0,0,0,0|2,0,0]=4 504 B11R2.36 N=C1C=CN2C=COC2=N1 CNP0195470.0 [1,1,0,0,0,0|2,0,0]=4 505 B11R2.36 N=C1C=CN2C=NOC2=C1 CNP0169442.0 [1,1,0,0,0,0|2,0,0]=4 506 B11R2.36 N=C1C=CN2N=COC2=C1 CNP0001133.0 [1,1,0,0,0,0|2,0,0]=4 507 B11R2.36 N=C1C=CN2OC=CC2=N1 CNP0019343.0 [1,1,0,0,0,0|2,0,0]=4 508 B11R2.36 N=C1C=CN2OC=NC2=C1 CNP0229698.0 [1,1,0,0,0,0|2,0,0]=4 509 B11R2.36 N=C1C=CN2ON=CC2=C1 CNP0000838.0 [1,1,0,0,0,0|2,0,0]=4 510 B11R2.36 N=C1C=NC2=CNOC2=C1 CNP0000901.0 [1,1,0,0,0,0|2,0,0]=4 511 B11R2.36 N=C1C=NN2C=COC2=C1 CNP0000974.0 [1,1,0,0,0,0|2,0,0]=4 512 B11R2.36 N=C1C=NN2OC=CC2=C1 CNP0062197.0 [1,1,0,0,0,0|2,0,0]=4 513 B11R2.36 NC1=CC2=C(C=CO2)N=N1 CNP0001068.0 [1,1,0,0,0,0|2,0,0]=4 514 B11R2.36 NC1=CC2=C(C=N1)N=CO2 CNP0180003.0 [1,1,0,0,0,0|2,0,0]=4 515 B11R2.36 NC1=CC2=C(C=N1)OC=N2 CNP0001213.0 [1,1,0,0,0,0|2,0,0]=4 516 B11R2.36 NC1=CC2=C(C=N1)ON=C2 CNP0411468.0 [1,1,0,0,0,0|2,0,0]=4 517 B11R2.36 NC1=CC2=C(C=NO2)C=N1 CNP0289240.0 [1,1,0,0,0,0|2,0,0]=4 518 B11R2.36 NC1=CC2=C(N=N1)OC=C2 CNP0287799.0 [1,1,0,0,0,0|2,0,0]=4 519 B11R2.36 NC1=CC=C2C=NOC2=N1 CNP0144591.0 [1,1,0,0,0,0|2,0,0]=4 520 B11R2.36 NC1=CC=C2N=COC2=N1 CNP0378752.0 [1,1,0,0,0,0|2,0,0]=4 521 B11R2.36 NC1=CC=C2N=NOC2=C1 CNP0114153.0 [1,1,0,0,0,0|2,0,0]=4 522 B11R2.36 NC1=CC=C2OC=NC2=N1 CNP0069424.0 [1,1,0,0,0,0|2,0,0]=4 523 B11R2.36 NC1=CC=C2ON=CC2=N1 CNP0309862.0 [1,1,0,0,0,0|2,0,0]=4 524 B11R2.36 NC1=CC=C2ON=NC2=C1 CNP0001261.0 [1,1,0,0,0,0|2,0,0]=4 525 B11R2.36 NC1=CN=C2C=COC2=N1 CNP0051705.0 [1,1,0,0,0,0|2,0,0]=4 526 B11R2.36 NC1=CN=C2C=NOC2=C1 CNP0139237.0 [1,1,0,0,0,0|2,0,0]=4 527 B11R2.36 NC1=CN=C2N=COC2=C1 CNP0335040.0 [1,1,0,0,0,0|2,0,0]=4 528 B11R2.36 NC1=CN=C2OC=CC2=N1 CNP0218283.0 [1,1,0,0,0,0|2,0,0]=4 529 B11R2.36 NC1=CN=C2OC=NC2=C1 CNP0001263.0 [1,1,0,0,0,0|2,0,0]=4 530 B11R2.36 NC1=CN=C2ON=CC2=C1 CNP0001251.0 [1,1,0,0,0,0|2,0,0]=4 531 B11R2.36 NC1=NC=C2C=COC2=N1 CNP0327675.0 [1,1,0,0,0,0|2,0,0]=4 532 B11R2.36 NC1=NC=C2OC=CC2=N1 CNP0220988.0 [1,1,0,0,0,0|2,0,0]=4 533 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [1,1,0,0,0,0|0,0,0]=2 534 B11R2.36 OC1=CC=C2CC=CC2=C1 CNP0259723.0 [1,1,0,0,0,0|1,0,0]=3 535 B11R2.36 OC1=CC=C2NC=CC2=C1 CNP0421176.0 [1,1,0,0,0,0|1,0,0]=3 536 B11R2.36 OC1=CC=C2NC=NC2=C1 CNP0083825.0 [1,1,0,0,0,0|2,0,0]=4 537 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [1,1,0,0,0,0|0,0,0]=2 538 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [1,1,0,0,0,0|0,0,2]=4 539 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [1,1,0,0,0,0|1,0,1]=4 540 B11R2.106 CC1=CC=CC2=C1C=CC2 CNP0382837.0 [1,1,0,0,0,0|1,0,0]=3 541 B11R2.106 CC1=CC=CC2=C1C=CN2 CNP0104005.0 [1,1,0,0,0,0|1,0,0]=3 542 B11R2.106 CC1=CC=CC2=C1C=CO2 CNP0141148.0 [1,1,0,0,0,0|0,0,0]=2 543 B11R2.106 CC1=CC=CC2=C1NC=C2 CNP0319116.0 [1,1,0,0,0,0|1,0,0]=3 544 B11R2.106 N=C1C=CC=C2C1=NNO2 CNP0000996.0 [1,1,0,0,0,0|2,0,0]=4 545 B11R2.106 N=C1C=CC=C2N1C=NO2 CNP0096302.0 [1,1,0,0,0,0|2,0,0]=4 546 B11R2.106 N=C1C=CC=C2N1N=CO2 CNP0001086.0 [1,1,0,0,0,0|2,0,0]=4 547 B11R2.106 N=C1C=CC=C2N1OC=N2 CNP0001154.0 [1,1,0,0,0,0|2,0,0]=4 548 B11R2.106 N=C1C=CC=C2N1ON=C2 CNP0000866.0 [1,1,0,0,0,0|2,0,0]=4 549 B11R2.106 N=C1C=CN=C2C1=CNO2 CNP0000906.0 [1,1,0,0,0,0|2,0,0]=4 550 B11R2.106 N=C1C=CN=C2N1C=CO2 CNP0019770.0 [1,1,0,0,0,0|2,0,0]=4 551 B11R2.106 N=C1C=CN=C2N1OC=C2 CNP0037892.0 [1,1,0,0,0,0|2,0,0]=4 552 B11R2.106 N=C1C=NC=C2C1=CNO2 CNP0386210.0 [1,1,0,0,0,0|2,0,0]=4 553 B11R2.106 N=C1C=NC=C2N1C=CO2 CNP0000914.0 [1,1,0,0,0,0|2,0,0]=4 554 B11R2.106 N=C1C=NC=C2N1OC=C2 CNP0000923.0 [1,1,0,0,0,0|2,0,0]=4 555 B11R2.106 N=C1N=CC=C2C1=CNO2 CNP0400290.0 [1,1,0,0,0,0|2,0,0]=4 556 B11R2.106 N=C1N=CC=C2N1C=CO2 CNP0060704.0 [1,1,0,0,0,0|2,0,0]=4 557 B11R2.106 N=C1N=CC=C2N1OC=C2 CNP0000979.0 [1,1,0,0,0,0|2,0,0]=4 558 B11R2.106 NC1=CC=CC2=C1N=NO2 CNP0001262.0 [1,1,0,0,0,0|2,0,0]=4 559 B11R2.106 NC1=CC=CC2=C1OCO2 CNP0040687.0 [1,1,0,0,0,0|1,0,1]=4 560 B11R2.106 NC1=CC=CC2=C1ON=N2 CNP0001266.0 [1,1,0,0,0,0|2,0,0]=4 561 B11R2.106 NC1=CC=NC2=C1C=NO2 CNP0001252.0 [1,1,0,0,0,0|2,0,0]=4 562 B11R2.106 NC1=CC=NC2=C1N=CO2 CNP0185410.0 [1,1,0,0,0,0|2,0,0]=4 563 B11R2.106 NC1=CC=NC2=C1OC=N2 CNP0001264.0 [1,1,0,0,0,0|2,0,0]=4 564 B11R2.106 NC1=CC=NC2=C1ON=C2 CNP0370824.0 [1,1,0,0,0,0|2,0,0]=4 565 B11R2.106 NC1=CN=CC2=C1C=NO2 CNP0082458.0 [1,1,0,0,0,0|2,0,0]=4 566 B11R2.106 NC1=CN=CC2=C1N=CO2 CNP0001209.0 [1,1,0,0,0,0|2,0,0]=4 567 B11R2.106 NC1=CN=CC2=C1OC=N2 CNP0001212.0 [1,1,0,0,0,0|2,0,0]=4 568 B11R2.106 NC1=CN=CC2=C1ON=C2 CNP0058174.0 [1,1,0,0,0,0|2,0,0]=4 569 B11R2.106 NC1=CN=NC2=C1C=CO2 CNP0349530.0 [1,1,0,0,0,0|2,0,0]=4 570 B11R2.106 NC1=CN=NC2=C1OC=C2 CNP0407732.0 [1,1,0,0,0,0|2,0,0]=4 571 B11R2.106 NC1=NC=CC2=C1C=NO2 CNP0015059.0 [1,1,0,0,0,0|2,0,0]=4 572 B11R2.106 NC1=NC=CC2=C1N=CO2 CNP0245431.0 [1,1,0,0,0,0|2,0,0]=4 573 B11R2.106 NC1=NC=CC2=C1OC=N2 CNP0001215.0 [1,1,0,0,0,0|2,0,0]=4 574 B11R2.106 NC1=NC=CC2=C1ON=C2 CNP0267678.0 [1,1,0,0,0,0|2,0,0]=4 575 B11R2.106 NC1=NC=NC2=C1C=CO2 CNP0001337.0 [1,1,0,0,0,0|2,0,0]=4 576 B11R2.106 NC1=NC=NC2=C1OC=C2 CNP0169465.0 [1,1,0,0,0,0|2,0,0]=4 577 B11R2.106 NC1=NN=CC2=C1C=CO2 CNP0139331.0 [1,1,0,0,0,0|2,0,0]=4 578 B11R2.106 NC1=NN=CC2=C1OC=C2 CNP0001072.0 [1,1,0,0,0,0|2,0,0]=4 579 B11R2.106 OC1=CC=CC2=C1C=CN2 CNP0120975.0 [1,1,0,0,0,0|1,0,0]=3 580 B11R2.106 OC1=CC=CC2=C1C=CO2 CNP0278370.0 [1,1,0,0,0,0|0,0,0]=2 581 B11R2.15 N=NC1=CC2=C(O1)C=CN2 CNP0000406.0 [0,1,0,0,1,0|2,0,0]=4 582 B11R2.15 N=NC1=CC2=C(O1)NC=C2 CNP0000405.0 [0,1,0,0,1,0|2,0,0]=4 583 B11R2.15 N=NC1=CC2=CC=CN2O1 CNP0042632.0 [0,1,0,0,1,0|2,0,0]=4 584 B11R2.15 N=NC1=CC2=CNC=C2O1 CNP0000592.0 [0,1,0,0,1,0|2,0,0]=4 585 B11R2.15 N=NC1=CN2C=CC=C2O1 CNP0000635.0 [0,1,0,0,1,0|2,0,0]=4 586 B11R2.15 N=NN1C=C2C=CC=C2O1 CNP0073254.0 [0,1,0,0,1,0|2,0,0]=4 587 B11R2.54 O=C1C(=O)C2=CC=CC=C12 CNP0458247.0 [0,1,0,0,1,0|1,0,0]=3 588 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [0,1,0,0,1,0|1,0,1]=4 589 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [0,1,0,0,1,0|1,0,1]=4 590 B11R2.59 CC1(CC2=CC=CC=C12)C CNP0056719.0 [0,1,0,0,1,0|0,0,2]=4 591 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [0,1,0,0,1,0|0,0,2]=4 592 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [0,1,0,0,1,0|0,0,2]=4 593 B11R2.104 CC1=CC=CC2=C1CC2=O CNP0057604.0 [0,1,0,0,1,0|1,0,1]=4 594 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [0,1,0,0,1,0|1,0,1]=4 595 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [0,1,0,0,1,0|1,0,1]=4 596 B11R2.468 O=C1CC2=CC=CC(=C12)Br CNP0327870.0 [0,1,0,0,1,0|1,0,1]=4 597 B11R2.468 O=C1CC2=CC=CC(=C12)Cl CNP0193006.0 [0,1,0,0,1,0|1,0,1]=4 598 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [0,1,0,0,1,0|1,0,1]=4 599 B13R2.32 CC1=CC=C2C=CC=CC2=C1C CNP0125770.0 [0,1,0,0,0,1|1,0,0]=3 600 B13R2.32 CC1=CC=C2C=CC=CC2=C1O CNP0079966.0 [0,1,0,0,0,1|1,0,0]=3 601 B13R2.32 CC1=CC=C2C=CC=CC2=[N+]1C CNP0554757.0 [0,1,0,0,0,1|1,0,0]=3 602 B13R2.32 CC1=CC=C2C=CC=CC2=[N+]1[O-] CNP0552927.0 [0,1,0,0,0,1|1,0,0]=3 603 B13R2.32 CC1=COC2=CC=CC=C2C1=O CNP0287052.0 [0,1,0,0,0,1|0,0,0]=2 604 B13R2.32 CC1=NN=C2C=CC=CC2=C1C CNP0075368.0 [0,1,0,0,0,1|1,0,0]=3 605 B13R2.32 CN1C(=O)C=CC2=CC=CC=C12 CNP0123557.0 [0,1,0,0,0,1|2,0,0]=4 606 B13R2.32 NC1=CN=C2C=CC=CC2=C1N CNP0531898.0 [0,1,0,0,0,1|2,0,0]=4 607 B13R2.32 NC1=C[NH+]=C2C=CC=CC2=C1N CNP0505604.0 [0,1,0,0,0,1|2,0,0]=4 608 B13R2.32 O=C1C(=COC2=CC=CC=C12)Br CNP0278171.0 [0,1,0,0,0,1|1,0,0]=3 609 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O CNP0033512.0 [0,1,0,0,0,1|2,0,0]=4 610 B13R2.32 O=C1COC2=CC=CC=C2N1O CNP0252582.0 [0,1,0,0,0,1|2,0,0]=4 611 B13R2.32 OC1=CC=C2C=CC=CC2=C1O CNP0130639.0 [0,1,0,0,0,1|2,0,0]=4 612 B13R2.32 OC1=CN=C2C=CC=CC2=C1O CNP0037450.0 [0,1,0,0,0,1|2,0,0]=4 613 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 CNP0076873.0 [0,1,0,0,0,1|1,0,1]=4 614 B13R2.57 CCC1=CC=C2C=CC=CC2=C1 CNP0389841.0 [0,1,0,0,0,1|1,0,0]=3 615 B13R2.57 CCC1=CN=C2C=CC=CC2=N1 CNP0522044.0 [0,1,0,0,0,1|1,0,0]=3 616 B13R2.57 COC1=CC=C2C=CC=CC2=C1 CNP0110785.0 [0,1,0,0,0,1|1,0,0]=3 617 B13R2.57 N#CC1=CC=C2C=CC=CC2=C1 CNP0294953.0 [0,1,0,0,0,1|1,0,1]=4 618 B13R2.57 N#CC1=CN=C2C=CC=CC2=C1 CNP0236313.0 [0,1,0,0,0,1|1,0,1]=4 619 B13R2.57 NNC1=CC=C2C=CC=CC2=C1 CNP0200433.0 [0,1,0,0,0,1|2,0,0]=4 620 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 CNP0376757.0 [0,1,0,0,0,1|0,0,1]=3 621 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 CNP0393707.0 [0,1,0,0,0,1|1,0,1]=4 622 B13R2.57 OCC1=CC=C2C=CC=CC2=C1 CNP0129350.0 [0,1,0,0,0,1|1,0,0]=3 623 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CNP0090515.0 [0,1,0,0,0,1|1,0,0]=3 624 B13R2.155 CC1=CC=C2C=CC(=CC2=C1)O CNP0109582.0 [0,1,0,0,0,1|1,0,0]=3 625 B13R2.155 CC1=CC=C2C=CC(=NC2=C1)C CNP0224653.0 [0,1,0,0,0,1|1,0,0]=3 626 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 CNP0053708.0 [0,1,0,0,0,1|1,0,0]=3 627 B13R2.155 NC1=CC=C2C=CC(=O)NC2=C1 CNP0167186.0 [0,1,0,0,0,1|2,0,0]=4 628 B13R2.155 O=C1C=CC2=CC=C(C=C2O1)O CNP0291283.0 [0,1,0,0,0,1|1,0,0]=3 629 B13R2.155 O=C1CCC2=CC=C(C=C2O1)O CNP0221407.0 [0,1,0,0,0,1|1,0,1]=4 630 B13R2.155 OC1=CC=C2C=CC(=CC2=C1)O CNP0611657.0 [0,1,0,0,0,1|2,0,0]=4 631 B13R2.162 CC1=CC=C2C=CC=C(C2=C1)C CNP0154270.0 [0,1,0,0,0,1|1,0,0]=3 632 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)C CNP0207344.0 [0,1,0,0,0,1|1,0,0]=3 633 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)O CNP0029119.0 [0,1,0,0,0,1|1,0,0]=3 634 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)C CNP0309408.0 [0,1,0,0,0,1|2,0,0]=4 635 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)N CNP0596449.0 [0,1,0,0,0,1|2,0,0]=4 636 B13R2.162 CC1=CC=C2OC=CC(=O)C2=C1 CNP0192947.0 [0,1,0,0,0,1|2,0,0]=4 637 B13R2.162 CC1=CC=C2[NH+]=CC=C(C2=C1)N CNP0593426.0 [0,1,0,0,0,1|2,0,0]=4 638 B13R2.162 NC1=CC=CC2=CC=C(C=C12)O CNP0058557.0 [0,1,0,0,0,1|2,0,0]=4 639 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)O CNP0290938.0 [0,1,0,0,0,1|2,0,0]=4 640 B13R2.162 O=C1C=CC2=CC=CC(=C2O1)O CNP0166688.0 [0,1,0,0,0,1|1,0,0]=3 641 B13R2.162 OC1=CC=C2C=CC=C(C2=C1)O CNP0611675.0 [0,1,0,0,0,1|2,0,0]=4 642 B13R2.222 CC1(C=CC2=CC=CC=C2O1)C CNP0201807.0 [0,1,0,0,0,1|0,0,1]=3 643 B13R2.222 CC1(CCC2=CC=CC=C2O1)C CNP0086340.0 [0,1,0,0,0,1|0,0,2]=4 644 B13R2.328 CC1=CC(=C2C=CC=CC2=C1)C CNP0318754.0 [0,1,0,0,0,1|1,0,0]=3 645 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)C CNP0211039.0 [0,1,0,0,0,1|1,0,0]=3 646 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)N CNP0568512.0 [0,1,0,0,0,1|1,0,0]=3 647 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)O CNP0344629.0 [0,1,0,0,0,1|1,0,0]=3 648 B13R2.328 CC1=CC(=C2C=CC=CC2=[NH+]1)N CNP0537497.0 [0,1,0,0,0,1|1,0,0]=3 649 B13R2.328 CC1=CC(=C2N=CC=CC2=C1)C CNP0159578.0 [0,1,0,0,0,1|2,0,0]=4 650 B13R2.328 CC1=CC(=NC2=CC=CC=C12)O CNP0373109.0 [0,1,0,0,0,1|2,0,0]=4 651 B13R2.328 CC1=CC(=O)NC2=CC=CC=C12 CNP0579434.0 [0,1,0,0,0,1|2,0,0]=4 652 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 CNP0027289.0 [0,1,0,0,0,1|1,0,0]=3 653 B13R2.328 CC1=CC(=S)C2=CC=CC=C2N1 CNP0143259.0 [0,1,0,0,0,1|1,0,0]=3 654 B13R2.328 CC1=CC(=[N+]2C=CC=CC2=N1)C CNP0596811.0 [0,1,0,0,0,1|2,0,0]=4 655 B13R2.328 CC1=CC2=CC=CC=C2C(=N1)C CNP0233687.0 [0,1,0,0,0,1|1,0,0]=3 656 B13R2.328 CC1=CC2=CC=CC=C2C(=O)O1 CNP0424914.0 [0,1,0,0,0,1|0,0,0]=2 657 B13R2.328 CC1=CC2=CN=CC=C2C(=N1)Cl CNP0001232.0 [0,1,0,0,0,1|2,0,0]=4 658 B13R2.328 CC1=NC(=C2C=CC=CC2=N1)C CNP0346769.0 [0,1,0,0,0,1|1,0,0]=3 659 B13R2.328 CC1=NC(=C2C=CC=CC2=N1)O CNP0593568.0 [0,1,0,0,0,1|1,0,0]=3 660 B13R2.328 CC1=NC(=NC2=CC=CC=C12)N CNP0343177.0 [0,1,0,0,0,1|2,0,0]=4 661 B13R2.328 CC1=NC(=O)C2=CC=CC=C2N1 CNP0502720.0 [0,1,0,0,0,1|1,0,0]=3 662 B13R2.328 CC1=NC2=CC=CC=C2C(=O)N1 CNP0141617.0 [0,1,0,0,0,1|1,0,0]=3 663 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 CNP0418101.0 [0,1,0,0,0,1|1,0,0]=3 664 B13R2.328 CC1=NC2=CC=CN=C2C(=O)N1 CNP0612006.0 [0,1,0,0,0,1|2,0,0]=4 665 B13R2.328 C[C@H]1CC(=O)C2=CC=CC=C2O1 CNP0503770.1 [0,1,0,0,0,1|0,0,1]=3 666 B13R2.328 C[C@H]1CC2=CC=CC=C2C(=O)O1 CNP0277151.1 [0,1,0,0,0,1|0,0,2]=4 667 B13R2.328 C[C@H]1C[C@@H](C2=CC=CC=C2O1)O CNP0551854.1 [0,1,0,0,0,1|0,0,2]=4 668 B13R2.328 NC1=CC(=O)OC2=CC=CC=C12 CNP0024724.0 [0,1,0,0,0,1|1,0,0]=3 669 B13R2.328 NC1=NC2=CC=CC=C2C(=O)N1 CNP0526004.0 [0,1,0,0,0,1|2,0,0]=4 670 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CNP0229016.0 [0,1,0,0,0,1|2,0,0]=4 671 B13R2.328 O=C1C=C(C2=CC=CC=C2O1)Cl CNP0571047.0 [0,1,0,0,0,1|1,0,0]=3 672 B13R2.328 O=C1C=C(C2=CC=CC=C2O1)O CNP0411974.0 [0,1,0,0,0,1|1,0,0]=3 673 B13R2.328 O=C1C=C(OC2=CC=CC=C12)O CNP0038758.0 [0,1,0,0,0,1|1,0,0]=3 674 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 CNP0028027.0 [0,1,0,0,0,1|2,0,0]=4 675 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CNP0265654.0 [0,1,0,0,0,1|1,0,1]=4 676 B13R2.328 O=C1CC2=CC=CC=C2C(=S)N1 CNP0149436.0 [0,1,0,0,0,1|2,0,0]=4 677 B13R2.328 O=C1N=C(C2=CC=CC=C2O1)O CNP0459624.0 [0,1,0,0,0,1|1,0,0]=3 678 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CNP0350009.0 [0,1,0,0,0,1|2,0,0]=4 679 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 CNP0468495.0 [0,1,0,0,0,1|2,0,0]=4 680 B13R2.328 O=C1O[Bi](OC2=CC=CC=C12)O CNP0554446.0 [0,1,0,0,0,1|2,0,0]=4 681 B13R2.328 OC1=CC(=C2C=CC=CC2=C1)O CNP0419188.0 [0,1,0,0,0,1|2,0,0]=4 682 B13R2.328 OC1=CC(=C2C=CC=CC2=N1)O CNP0532958.0 [0,1,0,0,0,1|2,0,0]=4 683 B13R2.328 OC1=NC(=C2C=CC=CC2=N1)O CNP0575131.0 [0,1,0,0,0,1|2,0,0]=4 684 B13R2.369 CC1=CC2=CC=CC=C2C=C1C CNP0221248.0 [0,1,0,0,0,1|1,0,0]=3 685 B13R2.369 CC1=CC2=CC=CC=C2N=C1C CNP0267853.0 [0,1,0,0,0,1|1,0,0]=3 686 B13R2.369 CC1=CC2=CC=CC=C2N=C1O CNP0132288.0 [0,1,0,0,0,1|1,0,0]=3 687 B13R2.369 CC1=CC2=CC=CC=C2OC1=O CNP0554094.0 [0,1,0,0,0,1|0,0,0]=2 688 B13R2.369 NC1=CC2=CC=CC=C2OC1=O CNP0022464.0 [0,1,0,0,0,1|1,0,0]=3 689 B13R2.369 O=C1N=C2C=CC=CC2=NC1=O CNP0466838.0 [0,1,0,0,0,1|2,0,0]=4 690 B13R2.369 O=C1NC2=CC=CC=C2NC1=O CNP0494204.0 [0,1,0,0,0,1|2,0,0]=4 691 B13R2.369 O=C1NC2=CC=CC=C2OC1=O CNP0289759.0 [0,1,0,0,0,1|1,0,0]=3 692 B13R2.369 O=C1NC2=CC=CC=C2O[C@H]1O CNP0291912.1 [0,1,0,0,0,1|1,0,1]=4 693 B13R2.369 O=C1OC2=CC=CC=C2C=C1Cl CNP0586906.0 [0,1,0,0,0,1|1,0,0]=3 694 B13R2.369 O=C1OC2=CC=CC=C2C=C1O CNP0227778.0 [0,1,0,0,0,1|1,0,0]=3 695 B13R2.369 OC1=CC2=CC=CC=C2C=C1O CNP0610143.0 [0,1,0,0,0,1|2,0,0]=4 696 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)C CNP0206738.0 [0,1,0,0,0,1|1,0,0]=3 697 B13R2.3683 CC1=CC=C2N=C(C=CC2=C1)C CNP0295261.0 [0,1,0,0,0,1|1,0,0]=3 698 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 CNP0321280.0 [0,1,0,0,0,1|1,0,0]=3 699 B13R2.3683 C[C@@H]1OCC2=CC(=CC=C2O1)O CNP0320828.1 [0,1,0,0,0,1|0,0,2]=4 700 B13R2.3683 NC1=CC=C2C=C(C=CC2=C1)N CNP0177097.0 [0,1,0,0,0,1|2,0,0]=4 701 B13R2.3683 NC1=CC=C2C=C(C=CC2=C1)O CNP0030837.0 [0,1,0,0,0,1|2,0,0]=4 702 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CNP0010263.0 [0,1,0,0,0,1|1,0,0]=3 703 B13R2.3683 O=C1C=CC2=CC(=CC=C2O1)O CNP0194748.0 [0,1,0,0,0,1|1,0,0]=3 704 B13R2.3683 O=C1C=CC2=CC(=O)C=CC2=C1 CNP0467271.0 [0,1,0,0,0,1|2,0,0]=4 705 B13R2.3683 OC1=CC=C2C=C(C=CC2=C1)Br CNP0032263.0 [0,1,0,0,0,1|2,0,0]=4 706 B13R2.3683 OC1=CC=C2C=C(C=CC2=C1)Cl CNP0130218.0 [0,1,0,0,0,1|2,0,0]=4 707 B13R2.3683 OC1=CC=C2C=C(C=CC2=C1)O CNP0421775.0 [0,1,0,0,0,1|2,0,0]=4 708 B13R2.5179 CC1=CC=C2C(=CC=CC2=C1)C CNP0218793.0 [0,1,0,0,0,1|1,0,0]=3 709 B13R2.5179 CC1=CC=C2C(=CC=CC2=N1)N CNP0067447.0 [0,1,0,0,0,1|1,0,0]=3 710 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)C CNP0312669.0 [0,1,0,0,0,1|2,0,0]=4 711 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)N CNP0564606.0 [0,1,0,0,0,1|2,0,0]=4 712 B13R2.5179 CC1=CC=C2C(=CC=[NH+]C2=C1)N CNP0510949.0 [0,1,0,0,0,1|2,0,0]=4 713 B13R2.5179 CC1=CC=CC2=C1C=CC(=O)O2 CNP0140551.0 [0,1,0,0,0,1|1,0,0]=3 714 B13R2.5179 C[C@@H]1C=CC2=C(C=CC=C2O1)O CNP0527245.1 [0,1,0,0,0,1|0,0,1]=3 715 B13R2.5179 C[C@@H]1CC2=CC=CC(=C2CO1)O CNP0283182.1 [0,1,0,0,0,1|0,0,2]=4 716 B13R2.5179 C[C@H]1CC2=CC=CC(=C2CO1)O CNP0283182.2 [0,1,0,0,0,1|0,0,2]=4 717 B13R2.5179 O=C1C=CC2=C(C=CC=C2O1)O CNP0306022.0 [0,1,0,0,0,1|1,0,0]=3 718 B13R2.5179 OC1=CC=C2C(=CC=CC2=C1)O CNP0265937.0 [0,1,0,0,0,1|2,0,0]=4 719 B13R2.5179 OC1=CN=C2C(=CC=CC2=C1)O CNP0265313.0 [0,1,0,0,0,1|2,0,0]=4 720 B13R2.45 CC1=C(CC2=CC=CC=C12)C#N CNP0059900.0 [0,2,0,0,0,0|1,0,1]=4 721 B13R2.45 CC1C2=CC=CC=C2OC1CO CNP0494787.0 [0,2,0,0,0,0|0,0,2]=4 722 B13R2.45 O=C1C(=CC2=CC=CC=C12)CO CNP0194849.0 [0,2,0,0,0,0|1,0,0]=3 723 B13R2.45 O=C1C(=NO)NC2=CC=CC=C12 CNP0275285.0 [0,2,0,0,0,0|2,0,0]=4 724 B13R2.135 CC1=C(C2=CC=CC=C2C1)C#N CNP0036411.0 [0,2,0,0,0,0|1,0,0]=3 725 B13R2.135 CC1=C(C2=CC=CC=C2N1)C=O CNP0132549.0 [0,2,0,0,0,0|1,0,0]=3 726 B13R2.135 CC=C1C(=O)NC2=CC=CC=C12 CNP0115557.0 [0,2,0,0,0,0|2,0,0]=4 727 B13R2.135 CCN1C(=CC2=CC=CC=C12)O CNP0265807.0 [0,2,0,0,0,0|2,0,0]=4 728 B13R2.135 CNC1=C(OC2=CC=CC=C12)Cl CNP0068340.0 [0,2,0,0,0,0|1,0,0]=3 729 B13R2.135 NN=C1C(=O)NC2=CC=CC=C12 CNP0373780.0 [0,2,0,0,0,0|2,0,0]=4 730 B13R2.135 O=C1NC2=CC=CC=C2C1=NO CNP0159699.0 [0,2,0,0,0,0|2,0,0]=4 731 B13R2.135 O=CC1=C(NC2=CC=CC=C12)Br CNP0015864.0 [0,2,0,0,0,0|2,0,0]=4 732 B13R2.135 O=CC1=C(NC2=CC=CC=C12)S CNP0043669.0 [0,2,0,0,0,0|2,0,0]=4 733 B13R2.243 C[C@@]1(CC2=CC=CC=C2C1=O)O CNP0096681.1 [0,2,0,0,0,0|1,0,1]=4 734 B13R2.243 C[C@]1(CC2=CC=CC=C2C1=O)O CNP0096681.2 [0,2,0,0,0,0|1,0,1]=4 735 B13R2.3028 CC1=CC2=C(C(=O)OC2=CO1)C CNP0537519.0 [0,2,0,0,0,0|2,0,0]=4 736 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 CNP0580911.0 [0,2,0,0,0,0|2,0,0]=4 737 B13R2.3028 CC1=CC=C2OC(C(=O)C2=C1)C CNP0531484.0 [0,2,0,0,0,0|0,0,1]=3 738 B13R2.3028 O=C1NC2=CC=C(C=C2C1=O)Br CNP0515536.0 [0,2,0,0,0,0|2,0,0]=4 739 B13R2.3028 O=C1NC2=CC=C(C=C2C1=O)I CNP0574455.0 [0,2,0,0,0,0|2,0,0]=4 740 B13R2.3085 CC1=C(C(C2=CC=CC=C12)C)C CNP0214533.0 [0,2,0,0,0,0|1,0,0]=3 741 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C12 CNP0558551.0 [0,2,0,0,0,0|2,0,0]=4 742 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1=O CNP0399263.0 [0,2,0,0,0,0|2,0,0]=4 743 B13R2.3085 CN1C(=O)C2=CC=CC=C2[C@@H]1O CNP0068358.2 [0,2,0,0,0,0|2,0,0]=4 744 B13R2.3085 CN1C(=O)C2=CC=CC=C2[C@H]1O CNP0068358.1 [0,2,0,0,0,0|2,0,0]=4 745 B13R2.3085 [2H]C1=C(C2=CC=CC=C2N1[2H])C CNP0539578.0 [0,2,0,0,0,0|2,0,0]=4 746 B13R2.4825 BrC1=C(C2=CC=CC(=C2N1)Br)Br CNP0208181.0 [0,2,0,0,0,0|2,0,0]=4 747 B13R2.4825 CC1=C(C2=CC=CC(=C2N1)C)C CNP0085660.0 [0,2,0,0,0,0|1,0,0]=3 748 B13R2.4825 CC1=C2OC(=O)C(=C2C=CO1)C CNP0506752.0 [0,2,0,0,0,0|2,0,0]=4 749 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O CNP0567777.0 [0,2,0,0,0,0|2,0,0]=4 750 B13R2.4825 ClC1=C(C2=CC=CC(=C2N1)Br)Br CNP0193298.0 [0,2,0,0,0,0|2,0,0]=4 751 B13R2.4825 ClC1=C(C2=CC=CC(=C2N1)Br)Cl CNP0106132.0 [0,2,0,0,0,0|2,0,0]=4 752 B13R2.4825 ClC1=C(C2=CC=CC(=C2N1)Cl)Cl CNP0152356.0 [0,2,0,0,0,0|2,0,0]=4 753 B13R2.4825 ClC1=C(NC2=C(C=CC=C12)Br)Br CNP0326012.0 [0,2,0,0,0,0|2,0,0]=4 754 B13R2.4856 CC1=C(C2=C(C=CC=C2N1)O)C CNP0526314.0 [0,2,0,0,0,0|1,0,0]=3 755 B13R2.4856 ClC1=C(C2=C(C=CC=C2N1)Cl)Cl CNP0163801.0 [0,2,0,0,0,0|2,0,0]=4 756 B13R2.4856 O=C1NC2=CC=CC(=C2C1=O)Cl CNP0569651.0 [0,2,0,0,0,0|2,0,0]=4 757 B13R2.5190 BrC1=CC=C2C(=C(NC2=C1)Br)Br CNP0310868.0 [0,2,0,0,0,0|2,0,0]=4 758 B13R2.5190 C=C1C2=CC=C(C=C2O[C@@H]1O)C CNP0216491.1 [0,2,0,0,0,0|1,0,1]=4 759 B13R2.5190 C=C1C2=CC=C(C=C2O[C@H]1O)C CNP0216491.2 [0,2,0,0,0,0|1,0,1]=4 760 B13R2.5190 CC1=C2C=CN(C=C2OC1=O)C CNP0603753.0 [0,2,0,0,0,0|2,0,0]=4 761 B13R2.5190 CC1=CC=C2C(=C1)OC(=O)C2C CNP0002673.0 [0,2,0,0,0,0|1,0,1]=4 762 B13R2.5190 CN1C(=CC2=CC(=CC=C12)Br)Br CNP0117944.0 [0,2,0,0,0,0|2,0,0]=4 763 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Br CNP0109029.0 [0,2,0,0,0,0|2,0,0]=4 764 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CNP0498882.0 [0,2,0,0,0,0|2,0,0]=4 765 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)O CNP0018641.0 [0,2,0,0,0,0|2,0,0]=4 766 B13R2.26 CCSC1=NC2=CC=CC=C2S1 CNP0018019.0 [0,2,0,0,0,0|1,1,0]=4 767 B13R2.26 N#CCC1=CC2=CC=CC=C2N1 CNP0610553.0 [0,2,0,0,0,0|1,0,0]=3 768 B13R2.26 N#CCC1=NC2=CC=CC=C2S1 CNP0182834.0 [0,2,0,0,0,0|1,1,0]=4 769 B13R2.26 NCCC1=CN2C=CC=CC2=N1 CNP0009868.0 [0,2,0,0,0,0|2,0,0]=4 770 B13R2.43 O=CC1=CC2=CC(=CC=C2O1)Br CNP0028867.0 [0,2,0,0,0,0|0,0,1]=3 771 B13R2.43 OCC1=CC2=CC(=CC=C2O1)Br CNP0031036.0 [0,2,0,0,0,0|0,0,0]=2 772 B13R2.54 CC1=CC=CC2=C1OC(=C2)C=O CNP0281709.0 [0,2,0,0,0,0|0,0,1]=3 773 B13R2.54 NC1=CC=CC2=CC(=NN12)CO CNP0324495.0 [0,2,0,0,0,0|2,0,0]=4 774 B13R2.435 CC(=O)C1=CC2=CC=CC=C2C1 CNP0049314.0 [0,2,0,0,0,0|1,0,0]=3 775 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 CNP0524572.0 [0,2,0,0,0,0|0,0,0]=2 776 B13R2.435 CC(C)C1=CC2=CC=CN=C2N1 CNP0254009.0 [0,2,0,0,0,0|2,0,0]=4 777 B13R2.435 N=C(N)C1=CC2=CC=CC=C2S1 CNP0483277.0 [0,2,0,0,0,0|0,1,1]=4 778 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 CNP0273430.0 [0,2,0,0,0,0|1,0,1]=4 779 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 CNP0251705.0 [0,2,0,0,0,0|0,0,1]=3 780 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 CNP0443849.0 [0,2,0,0,0,0|0,1,1]=4 781 B13R2.435 OB(O)C1=CC2=CC=CC=C2S1 CNP0568164.0 [0,2,0,0,0,0|1,1,0]=4 782 B13R2.4826 CC1(CC2=CC=CC(=C2O1)O)C CNP0266825.0 [0,2,0,0,0,0|0,0,2]=4 783 B13R2.581 CC1=CC2=C(C=CC=C2N1)CO CNP0314345.0 [0,2,0,0,0,0|1,0,0]=3 784 B13R2.581 CC1=CC2=C(C=CC=C2O1)C=O CNP0120457.0 [0,2,0,0,0,0|0,0,0]=2 785 B13R2.5397 BrC1=CC(=C2C=C(NC2=C1)Br)Br CNP0185902.0 [0,2,0,0,0,0|2,0,0]=4 786 B13R2.5397 CC1=CC(=C2CC(=O)OC2=C1)C CNP0412114.0 [0,2,0,0,0,0|1,0,1]=4 787 B13R2.5397 CC1=CC2=C(C=C(C=C2N1)Br)Br CNP0017481.0 [0,2,0,0,0,0|1,0,0]=3 788 B13R2.5397 CC1=CC2=C(N=C(N=C2O1)N)C CNP0269679.0 [0,2,0,0,0,0|2,0,0]=4 789 B13R2.2121 COC1=CC=C2N=C(OC2=C1)O CNP0603780.0 [0,2,0,0,0,0|2,0,0]=4 790 B13R2.2121 COC1=CC=C2NC(=O)OC2=C1 CNP0215384.0 [0,2,0,0,0,0|2,0,0]=4 791 B13R2.2121 COC1=CC=C2OC(=CC2=C1)C CNP0292033.0 [0,2,0,0,0,0|0,0,0]=2 792 B13R2.13083 CC1=NC2=CC(=C(C=C2N1)C)C CNP0611714.0 [0,2,0,0,0,0|2,0,0]=4 793 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,0,2,0,0,0|1,0,1]=4 794 B9R0.5 C=COC(=O)C=CC=CC CNP0588574.0 [0,0,2,0,0,0|1,0,1]=4 795 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [0,0,1,1,0,0|1,0,0]=3 796 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [0,0,1,1,0,0|2,0,0]=4 797 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [0,0,1,1,0,0|0,0,0]=2 798 B11R2.20 C1=CC=C2C=CC=CC2=C1 CNP0256712.0 [0,0,1,1,0,0|1,0,1]=4 799 B11R2.20 C1=CC=C2C=NC=CC2=C1 CNP0263666.0 [0,0,1,1,0,0|2,0,0]=4 800 B11R2.20 C1=CC=C2N=CC=CC2=C1 CNP0279563.0 [0,0,1,1,0,0|1,0,1]=4 801 B11R2.20 C1=CC=C2N=CN=CC2=C1 CNP0141742.0 [0,0,1,1,0,0|2,0,0]=4 802 B11R2.20 C1=CC=C2OCOCC2=C1 CNP0488245.0 [0,0,1,1,0,0|1,0,1]=4 803 B13R3.28 C1=CC=C2C3=C(C3)C=CC2=C1 CNP0606380.0 [0,0,0,1,0,1|1,0,0]=3 804 B13R3.28 C1=CC=C2C3=C(O3)C=CC2=C1 CNP0085849.0 [0,0,0,1,0,1|2,0,0]=4 805 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,0,1,0,1,0|0,0,0]=2 806 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [0,0,1,0,1,0|1,0,0]=3 807 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [0,0,1,0,1,0|2,0,0]=4 808 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,0,1,0,1,0|0,0,1]=3 809 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,0,1,0,1,0|1,0,1]=4 810 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,0,1,0,1,0|1,0,1]=4 811 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [0,0,1,0,1,0|1,0,1]=4 812 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,0,1,0,1,0|0,0,2]=4 813 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [0,0,1,0,1,0|1,0,1]=4 814 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,0,1,0,1,0|1,0,1]=4 815 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,0,1,0,1,0|0,0,1]=3 816 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,0,1,0,1,0|1,0,1]=4 817 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,0,1,0,1,0|0,0,1]=3 818 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [0,0,1,0,1,0|1,0,1]=4 819 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [0,0,1,0,1,0|2,0,0]=4 820 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [0,0,1,0,1,0|1,0,1]=4 821 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,0,1,0,1,0|1,0,0]=3 822 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,0,1,0,1,0|2,0,0]=4 823 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [0,0,1,0,1,0|2,0,0]=4 824 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [0,0,1,0,1,0|2,0,0]=4 825 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [0,0,1,0,1,0|1,0,1]=4 826 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [0,0,1,0,1,0|1,0,1]=4 827 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [0,0,1,0,1,0|1,0,1]=4 828 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [0,0,1,0,1,0|1,0,1]=4 829 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [0,0,1,0,1,0|2,0,0]=4 830 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,0,1,0,1,0|2,0,0]=4 831 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,0,1,0,1,0|2,0,0]=4 832 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,0,1,0,1,0|2,0,0]=4 833 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [0,0,1,0,1,0|2,0,0]=4 834 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,0,1,0,1,0|2,0,0]=4 835 B9R1.50 C[C@@H]1/C=C/C=C/C=C/C1 CNP0322489.1 [0,0,1,0,1,0|0,0,2]=4 836 B9R1.50 C[C@@H]1/C=C\C=C/C=C\C1 CNP0322489.2 [0,0,1,0,1,0|0,0,2]=4 837 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [1,0,0,0,1,0|0,0,2]=4 838 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [0,0,1,0,0,1|2,0,0]=4 839 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,1,0,0,1|1,0,0]=3 840 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,1,0,0,1|0,0,1]=3 841 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,1,0,0,1|0,0,2]=4 842 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,1,0,0,1|1,0,0]=3 843 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,0,1,0,0,1|1,0,0]=3 844 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,0,1,0,0,1|0,0,1]=3 845 B11R1.91 CN(C)C=NC1=CC=CC=C1 CNP0489804.0 [0,0,1,0,0,1|2,0,0]=4 846 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,0,1,0,0,1|0,0,2]=4 847 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [0,0,1,0,0,1|1,0,1]=4 848 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,0,1,0,0,1|2,0,0]=4 849 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [0,0,1,0,0,1|1,0,1]=4 850 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,0,1,0,0,1|1,0,1]=4 851 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,0,1,0,0,1|1,0,0]=3 852 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [0,0,1,0,0,1|2,0,0]=4 853 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,0,1,0,0,1|1,0,1]=4 854 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,0,1,0,0,1|1,0,1]=4 855 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,0,1,0,0,1|1,0,1]=4 856 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,0,1,0,0,1|1,0,1]=4 857 B11R2.18 C1=CC=C2C=CC=C2C=C1 CNP0110921.0 [1,0,0,0,0,1|1,0,0]=3 858 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 CNP0470971.0 [0,0,0,0,0,2|2,0,0]=4 859 B13R2.33 O=C1CCC2=CC=CC=C2OC1 CNP0162308.0 [0,0,0,0,0,2|1,0,1]=4