0 B13R2.5190 CC1C(=O)NC2=CC(Br)=CC=C21 MC111737 [0,0,0,0,0,0|2,1,0]=3 1 B13R2.5190 CN1C(=O)NC2=CC(I)=CN=C21 MC427312 [0,0,0,0,0,0|2,1,0]=3 2 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O CS15400 [0,0,0,0,0,0|1,1,1]=3 3 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O CS10616 [0,0,0,0,0,0|1,1,1]=3 4 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O CS10704 [0,0,0,0,0,0|1,0,1]=2 5 B12R2.18 CC1=CC2=CC=CC=C2N1C CS10010 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.18 CN1C(=O)NC2=CC=CN=C21 MC427257 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 MC10211 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.18 CN1C(N)=CC2=CC=CC=C21 MC106654 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [1,0,0,0,0,0|1,0,1]=3 10 B12R2.606 CC1=CC2=C(C=C1)N=C(C)N2 MC425571 [1,0,0,0,0,0|2,0,1]=4 11 B12R2.606 CC1=CC2=CC(Br)=CC=C2N1 MC433913 [1,0,0,0,0,0|2,1,0]=4 12 B12R2.606 CC1=CC2=CC(F)=CC=C2N1 CS11005 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 CS21722 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.606 CC1=CC2=CC=C(Cl)C=C2N1 CS12813 [1,0,0,0,0,0|2,1,0]=4 15 B12R2.606 CC1=CC2=CC=C(F)C=C2N1 MC103158 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.606 CC1=CC=C2C=C(C)NC2=C1 CS15359 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.606 CC1=CC=C2CC(=O)NC2=C1 CS10744 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 CS15472 [1,0,0,0,0,0|2,0,0]=3 19 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 CS10011 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.606 CC1=NC2=C(C=C(N)C=C2)N1 MC442521 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.606 CC1=NC2=C(C=C(O)C=C2)N1 MC425565 [1,0,0,0,0,0|2,0,1]=4 22 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)N1 CS10270 [1,0,0,0,0,0|1,1,1]=4 23 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 CS12509 [1,0,0,0,0,0|2,0,1]=4 24 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 CS21670 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.606 ClC1=NC2=C(C=CC(I)=C2)N1 MC100186 [1,0,0,0,0,0|1,1,1]=4 26 B12R2.606 FC1=CC2=C(C=C1)N=C(Br)S2 CS13744 [1,0,0,0,0,0|2,0,1]=4 27 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)O2 CS15195 [1,0,0,0,0,0|2,0,1]=4 28 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)S2 CS14287 [1,0,0,0,0,0|2,0,1]=4 29 B12R2.606 FC1=CC2=C(C=C1)NC(Cl)=N2 CS21463 [1,0,0,0,0,0|1,0,1]=3 30 B12R2.606 FC1=CC2=C(C=C1)SC(Cl)=N2 CS14444 [1,0,0,0,0,0|2,0,1]=4 31 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CS10376 [1,0,0,0,0,0|1,0,0]=2 32 B12R2.606 NC1=CC2=C(C=C1)OC(=O)N2 MC111395 [1,0,0,0,0,0|2,0,0]=3 33 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 CS21571 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 MC427120 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 MC446685 [1,0,0,0,0,0|2,0,0]=3 36 B12R2.606 NC1=NC2=C(C=C(F)C=C2)S1 CS21825 [1,0,0,0,0,0|2,0,1]=4 37 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)N1 CS10239 [1,0,0,0,0,0|1,1,1]=4 38 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)N1 CS17918 [1,0,0,0,0,0|1,1,1]=4 39 B12R2.606 NC1=NC2=C(C=CC(F)=C2)S1 MC31078 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.606 NC1=NC2=C(C=CC(O)=C2)N1 MC443404 [1,0,0,0,0,0|2,0,1]=4 41 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 CS22042 [1,0,0,0,0,0|1,1,0]=3 42 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 CS10243 [1,0,0,0,0,0|2,1,0]=4 43 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 CS22052 [1,0,0,0,0,0|1,1,0]=3 44 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 MC113004 [1,0,0,0,0,0|2,1,0]=4 45 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 MC100081 [1,0,0,0,0,0|2,1,0]=4 46 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 CS22061 [1,0,0,0,0,0|1,0,0]=2 47 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 CS20688 [1,0,0,0,0,0|1,1,0]=3 48 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 CS22102 [1,0,0,0,0,0|1,1,0]=3 49 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 CS22112 [1,0,0,0,0,0|1,0,0]=2 50 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 MC113015 [1,0,0,0,0,0|2,1,0]=4 51 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 MC113035 [1,0,0,0,0,0|2,1,0]=4 52 B12R2.606 O=C1CC2=NC=C(F)C=C2N1 MC111563 [1,0,0,0,0,0|2,0,0]=3 53 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 CS18286 [1,0,0,0,0,0|0,1,0]=2 54 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 CS13902 [1,0,0,0,0,0|1,1,0]=3 55 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 CS15336 [1,0,0,0,0,0|1,1,0]=3 56 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)N1 CS10315 [1,0,0,0,0,0|0,1,0]=2 57 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 MC31174 [1,0,0,0,0,0|1,1,0]=3 58 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 MC425675 [1,0,0,0,0,0|0,0,0]=1 59 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 MC31175 [1,0,0,0,0,0|1,0,0]=2 60 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 MC101888 [1,0,0,0,0,0|0,1,0]=2 61 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 MC443377 [1,0,0,0,0,0|1,1,0]=3 62 B12R2.606 O=C1NC2=CC(Br)=CN=C2N1 CS10622 [1,0,0,0,0,0|1,1,0]=3 63 B12R2.606 O=C1NC2=CC(Cl)=CN=C2N1 MC427309 [1,0,0,0,0,0|1,1,0]=3 64 B12R2.606 O=C1NC2=CC=C(Cl)N=C2N1 CS10313 [1,0,0,0,0,0|1,1,0]=3 65 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 MC445105 [1,0,0,0,0,0|2,1,0]=4 66 B12R2.606 O=C1NC2=NC=C(Br)N=C2N1 CS16335 [1,0,0,0,0,0|2,1,0]=4 67 B12R2.606 S=C1NC2=C(C=C(Br)C=C2)S1 CS10628 [1,0,0,0,0,0|1,2,0]=4 68 B12R2.606 S=C1NC2=C(C=CC(Cl)=C2)O1 CS10329 [1,0,0,0,0,0|1,2,0]=4 69 B12R2.606 S=C1NC2=C(C=CC(Cl)=C2)S1 MC31159 [1,0,0,0,0,0|1,2,0]=4 70 B12R2.612 CC1=NNC2=CC(F)=CC=C21 MC441188 [1,0,0,0,0,0|3,0,0]=4 71 B12R2.612 CN1C=CC2=CC(Br)=CC=C21 CS10246 [1,0,0,0,0,0|2,1,0]=4 72 B12R2.612 CN1C=CC2=CC(O)=CC=C21 MC102986 [1,0,0,0,0,0|3,0,0]=4 73 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 MC442223 [1,0,0,0,0,0|1,1,1]=4 74 B12R2.612 CN1C=NC2=C1C=CC(O)=C2 MC33533 [1,0,0,0,0,0|2,0,1]=4 75 B12R2.612 FC1=CC=C2C(=C1)NN=C2Br CS13210 [1,0,0,0,0,0|3,0,0]=4 76 B12R2.612 FC1=CC=C2C(=C1)NN=C2I MC441881 [1,0,0,0,0,0|3,0,0]=4 77 B12R2.612 FC1=CC=C2C(Br)=CNC2=C1 MC430126 [1,0,0,0,0,0|2,0,0]=3 78 B12R2.612 FC1=CC=C2C(I)=CNC2=N1 CS15615 [1,0,0,0,0,0|3,0,0]=4 79 B12R2.612 O=C1NNC2=CC(F)=CC=C12 CS10702 [1,0,0,0,0,0|2,0,1]=4 80 B12R2.612 OC1=NNC2=CC(Br)=CC=C21 CS10623 [1,0,0,0,0,0|2,1,0]=4 81 B14R2.645 O=C1NC2=CC(Br)=C(Cl)C=C2C1=O MC105763 [0,1,0,0,0,0|1,1,1]=4 82 B14R2.645 O=C1NC2=CC(Cl)=C(Cl)C=C2C1=O CS12949 [0,1,0,0,0,0|1,1,1]=4 83 B14R2.645 O=C1NC2=CC(F)=C(F)C=C2C1=O CS19352 [0,1,0,0,0,0|1,0,1]=3 84 B14R2.1815 COC1=CC2=C(C=C1)N(C)C(=O)N2 MC106430 [0,1,0,0,0,0|2,0,0]=3 85 B14R2.1815 COC1=CC=C2C(=O)C(=O)NC2=C1 CS10720 [0,1,0,0,0,0|2,0,1]=4 86 B14R2.4646 CC1(C)C(=O)NC2=CC(Br)=CC=C21 MC111738 [0,1,0,0,0,0|2,1,0]=4 87 B14R2.4646 CC1(C)C(=O)NC2=CC(N)=CC=C21 CS10604 [0,1,0,0,0,0|3,0,0]=4 88 B14R2.8716 CN1C(=O)C(=O)C2=CC(Cl)=CC=C21 CS17413 [0,1,0,0,0,0|2,1,0]=4 89 B14R2.8737 Cc1ccc2c(c1F)NC(=O)C2=O MC433922 [0,1,0,0,0,0|2,0,1]=4 90 B14R2.27750 O=C1NC2=CC(Cl)=CC(Cl)=C2C1=O CS13871 [0,1,0,0,0,0|1,1,1]=4 91 B14R2.27750 O=C1NC2=CC(F)=CC(F)=C2C1=O CS13577 [0,1,0,0,0,0|1,0,1]=3 92 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 CS12331 [0,0,1,0,0,0|3,0,0]=4 93 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC20331 [0,0,1,0,0,0|3,0,0]=4 94 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC429561 [0,0,1,0,0,0|3,0,0]=4 95 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC429563 [0,0,1,0,0,0|3,0,0]=4 96 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 MC115598 [0,0,1,0,0,0|2,1,0]=4 97 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 CS20354 [0,0,1,0,0,0|2,1,0]=4 98 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 MC40159 [0,0,1,0,0,0|2,1,0]=4 99 B12R1.20 O=C(O)C(O)c1ccc(Br)cc1 MC115599 [0,0,1,0,0,0|2,1,0]=4 100 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 MC107629 [0,0,1,0,0,0|3,0,0]=4 101 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 CS21194 [0,0,1,0,0,0|3,0,0]=4 102 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 MC433952 [0,0,1,0,0,0|3,0,0]=4 103 B12R1.50 NNC(=O)CC1=CC(Br)=CC=C1 MC111969 [0,0,1,0,0,0|2,1,0]=4 104 B14R2.29365 NC1=CC=C2C(=O)NC(=O)NC2=C1 CS15875 [0,0,0,0,0,1|2,0,1]=4 105 B14R2.29365 O=C1NC(=O)C2=CC=C(Br)C=C2N1 CS12898 [0,0,0,0,0,1|1,1,1]=4 106 B14R2.29365 O=C1NC2=C(C=CC(Br)=C2)C(=O)O1 CS12315 [0,0,0,0,0,1|1,1,1]=4 107 B14R2.29365 O=C1NC2=CC(Cl)=CC=C2C(=O)O1 MC20649 [0,0,0,0,0,1|1,1,1]=4 108 B14R2.29369 CN1C(=O)CNC2=CC(Cl)=CC=C21 MC443710 [0,0,0,0,0,1|1,1,0]=3 109 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [1,0,1,0,0,0|2,0,0]=4 110 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 MC428013 [1,0,1,0,0,0|2,0,0]=4 111 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 MC33116 [1,0,1,0,0,0|1,0,0]=3 112 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 MC20138 [1,0,1,0,0,0|2,0,0]=4 113 B11R1.20 O=C(Cl)Oc1ccc(F)cc1 MC434069 [1,0,1,0,0,0|2,0,0]=4 114 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 CS10817 [1,0,1,0,0,0|2,0,0]=4 115 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 MC427369 [1,0,1,0,0,0|1,1,0]=4 116 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 CS15488 [1,0,1,0,0,0|2,0,0]=4 117 B11R1.36 NC(=O)C(N)c1ccccc1 MC438104 [1,0,1,0,0,0|2,0,0]=4 118 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10861 [1,0,1,0,0,0|2,0,0]=4 119 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10862 [1,0,1,0,0,0|2,0,0]=4 120 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS15279 [1,0,1,0,0,0|2,0,0]=4 121 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [1,0,1,0,0,0|2,0,0]=4 122 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 MC33114 [1,0,1,0,0,0|1,0,0]=3 123 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 CS22093 [1,0,1,0,0,0|2,0,0]=4 124 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 MC40004 [1,0,1,0,0,0|2,0,0]=4 125 B11R1.157 Cc1cccc(CC(=O)O)c1 MC433961 [1,0,1,0,0,0|2,0,0]=4 126 B11R1.157 NC(=S)NC1=CC(Br)=CC=C1 MC427249 [1,0,1,0,0,0|0,2,0]=4 127 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 CS21911 [1,0,1,0,0,0|2,0,0]=4 128 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 CS10775 [1,0,1,0,0,0|1,1,0]=4 129 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS21923 [1,0,1,0,0,0|1,1,0]=4 130 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 MC40173 [1,0,1,0,0,0|1,0,0]=3 131 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 MC431564 [1,0,1,0,0,0|2,0,0]=4 132 B11R1.157 O=C(O)CC1=CC(F)=NC=C1 MC430121 [1,0,1,0,0,0|2,0,0]=4 133 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 CS20851 [1,0,1,0,0,0|1,1,0]=4 134 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 CS20944 [1,0,1,0,0,0|2,0,0]=4 135 B11R1.37 C=CC1=C(C=O)C=C(F)C=C1 MC112225 [1,0,1,0,0,0|2,0,0]=4 136 B11R1.37 COC1=C(C=O)C=C(F)C=C1 CS13891 [1,0,1,0,0,0|2,0,0]=4 137 B11R1.166 CC(=O)C1=C(N)C=C(F)C=C1 MC431781 [1,0,1,0,0,0|2,0,0]=4 138 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 CS21999 [1,0,1,0,0,0|2,0,0]=4 139 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 CS13976 [1,0,1,0,0,0|2,0,0]=4 140 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 CS15300 [1,0,1,0,0,0|2,0,0]=4 141 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 CS20180 [1,0,1,0,0,0|1,1,0]=4 142 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 CS20207 [1,0,1,0,0,0|1,1,0]=4 143 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 CS21809 [1,0,1,0,0,0|1,0,0]=3 144 B11R1.166 NC1=C(C(=O)O)C=CC(I)=C1 CS21253 [1,0,1,0,0,0|1,1,0]=4 145 B11R1.166 NC1=C(C(=O)O)C=CC(O)=C1 CS12851 [1,0,1,0,0,0|2,0,0]=4 146 B11R1.166 NC1=C([N+](=O)[O-])C=CC(F)=C1 CS21712 [1,0,1,0,0,0|0,0,2]=4 147 B11R1.166 NC1=CC(F)=NC=C1C(=O)O MC103397 [1,0,1,0,0,0|2,0,0]=4 148 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 CS21353 [1,0,1,0,0,0|2,0,0]=4 149 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 MC40252 [1,0,1,0,0,0|2,0,0]=4 150 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 MC40267 [1,0,1,0,0,0|2,0,0]=4 151 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 CS14997 [1,0,1,0,0,0|2,0,0]=4 152 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 CS14175 [1,0,1,0,0,0|2,0,0]=4 153 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [2,0,0,0,0,0|2,0,0]=4 154 B11R2.1 CN1C=CC2=CC=CC=C21 CS11026 [2,0,0,0,0,0|2,0,0]=4 155 B11R2.1 ClC1=CNC2=CC=CC=C12 MC427199 [2,0,0,0,0,0|2,0,0]=4 156 B11R2.1 NN1C=CC2=CC=CC=C21 CS19942 [2,0,0,0,0,0|2,0,0]=4 157 B11R2.1 ON1N=NC2=C1C=CC=C2 CS19338 [2,0,0,0,0,0|1,0,1]=4 158 B11R2.1 ON1N=NC2=C1C=CC=C2 CS22993 [2,0,0,0,0,0|1,0,1]=4 159 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 CS21331 [2,0,0,0,0,0|1,0,1]=4 160 B11R2.10 CC1=CC2=CC=CC=C2N1 CS18563 [2,0,0,0,0,0|2,0,0]=4 161 B11R2.10 CC1=NC2=C(C=CC=C2)N1 CS15288 [2,0,0,0,0,0|1,0,1]=4 162 B11R2.10 ClC1=CC2=CC=CC=C2N1 MC444183 [2,0,0,0,0,0|2,0,0]=4 163 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 CS21427 [2,0,0,0,0,0|1,0,1]=4 164 B11R2.10 NC1=NC2=C(C=CC=C2)N1 CS16315 [2,0,0,0,0,0|1,0,1]=4 165 B11R2.10 O=C1CC2=C(C=CC=C2)O1 MC20944 [2,0,0,0,0,0|2,0,0]=4 166 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [2,0,0,0,0,0|2,0,0]=4 167 B11R2.10 O=C1CC2=CC=CC=C2N1 CS15184 [2,0,0,0,0,0|1,0,0]=3 168 B11R2.10 O=C1CC2=CC=NC=C2N1 MC100071 [2,0,0,0,0,0|2,0,0]=4 169 B11R2.10 O=C1NC2=C(C=CC=C2)O1 CS15190 [2,0,0,0,0,0|1,0,0]=3 170 B11R2.10 O=C1NC2=CC=CN=C2N1 CS20518 [2,0,0,0,0,0|1,0,0]=3 171 B11R2.10 O=C1NC2=NC=CC=C2O1 CS18902 [2,0,0,0,0,0|2,0,0]=4 172 B11R2.10 O=C1NC2=NC=CN=C2N1 MC116441 [2,0,0,0,0,0|2,0,0]=4 173 B11R2.10 O=C1OC2=C(C=CC=C2)O1 CS10973 [2,0,0,0,0,0|2,0,0]=4 174 B11R2.10 OC1=NC2=C(C=CC=C2)N1 CS20242 [2,0,0,0,0,0|0,0,2]=4 175 B11R2.10 S=C1NC2=C(C=NC=C2)N1 MC425114 [2,0,0,0,0,0|1,1,0]=4 176 B11R2.10 SC1=NC2=C(C=CC=C2)N1 MC20678 [2,0,0,0,0,0|0,1,1]=4 177 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 CS10238 [2,0,0,0,0,0|0,1,1]=4 178 B11R2.36 BrC1=CC=C2C=CNC2=C1 CS22089 [2,0,0,0,0,0|1,1,0]=4 179 B11R2.36 BrC1=CC=C2NC=CC2=C1 CS17784 [2,0,0,0,0,0|1,1,0]=4 180 B11R2.36 CC1=CC=C2NC=CC2=C1 CS11033 [2,0,0,0,0,0|2,0,0]=4 181 B11R2.36 ClC1=CC2=C(C=C1)N=CN2 MC443515 [2,0,0,0,0,0|0,1,1]=4 182 B11R2.36 ClC1=CC=C2C=CNC2=C1 CS22097 [2,0,0,0,0,0|1,1,0]=4 183 B11R2.36 ClC1=CC=C2NC=CC2=C1 CS22049 [2,0,0,0,0,0|1,1,0]=4 184 B11R2.36 FC1=CC2=C(C=C1)N=CS2 MC31026 [2,0,0,0,0,0|1,0,1]=4 185 B11R2.36 FC1=CC2=C(C=C1)OC=C2 MC441159 [2,0,0,0,0,0|2,0,0]=4 186 B11R2.36 FC1=CC2=C(C=CS2)C=C1 MC113470 [2,0,0,0,0,0|2,0,0]=4 187 B11R2.36 FC1=CC=C2C=CNC2=C1 MC31140 [2,0,0,0,0,0|1,0,0]=3 188 B11R2.36 FC1=CC=C2C=CNC2=N1 MC33364 [2,0,0,0,0,0|2,0,0]=4 189 B11R2.36 FC1=CC=C2C=NNC2=C1 CS18253 [2,0,0,0,0,0|2,0,0]=4 190 B11R2.36 FC1=CC=C2CC=CC2=C1 MC446777 [2,0,0,0,0,0|2,0,0]=4 191 B11R2.36 FC1=CC=C2CCNC2=C1 MC443334 [2,0,0,0,0,0|1,0,1]=4 192 B11R2.36 FC1=CC=C2NC=CC2=C1 CS22058 [2,0,0,0,0,0|1,0,0]=3 193 B11R2.36 FC1=CC=C2NC=CC2=N1 CS10378 [2,0,0,0,0,0|2,0,0]=4 194 B11R2.36 FC1=CC=C2NN=CC2=C1 CS18254 [2,0,0,0,0,0|2,0,0]=4 195 B11R2.36 FC1=CN=C2C=CNC2=C1 MC105230 [2,0,0,0,0,0|2,0,0]=4 196 B11R2.36 FC1=CN=C2NC=CC2=C1 CS18514 [2,0,0,0,0,0|2,0,0]=4 197 B11R2.36 IC1=CC=C2C=CNC2=C1 CS13433 [2,0,0,0,0,0|1,1,0]=4 198 B11R2.36 NC1=CC2=C(C=C1)N=CN2 MC41743 [2,0,0,0,0,0|1,0,1]=4 199 B11R2.36 NC1=CC=C2NC=CC2=C1 CS20917 [2,0,0,0,0,0|2,0,0]=4 200 B11R2.36 OC1=CC=C2NC=CC2=C1 CS20861 [2,0,0,0,0,0|2,0,0]=4 201 B13R1.2879 COC(=O)NC1=CC(F)=C(Br)C=C1 MC40071 [0,1,1,0,0,0|2,0,0]=4 202 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 MC33348 [1,1,0,0,0,0|1,0,1]=4 203 B13R2.359 CC1(C)C(=O)NC2=CC=CC=C21 MC425452 [1,1,0,0,0,0|2,0,0]=4 204 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 CS10988 [1,1,0,0,0,0|1,0,1]=4 205 B13R2.3028 CC1C(=O)NC2=CC=C(Br)C=C21 CS14604 [1,1,0,0,0,0|2,0,0]=4 206 B13R2.3028 CN1C(=O)NC2=C1C=C(N)C=C2 MC431669 [1,1,0,0,0,0|1,0,0]=3 207 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O CS22039 [1,1,0,0,0,0|1,0,1]=4 208 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O CS10615 [1,1,0,0,0,0|1,0,1]=4 209 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O CS22060 [1,1,0,0,0,0|1,0,1]=4 210 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O CS13925 [1,1,0,0,0,0|1,0,1]=4 211 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O CS20590 [1,1,0,0,0,0|1,0,1]=4 212 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O CS10646 [1,1,0,0,0,0|1,0,1]=4 213 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O CS13924 [1,1,0,0,0,0|1,0,1]=4 214 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O CS22789 [1,1,0,0,0,0|1,0,1]=4 215 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O CS22839 [1,1,0,0,0,0|1,0,1]=4 216 B13R2.43 O=CC1=CC2=CC=C(Cl)C=C2N1 CS16674 [1,1,0,0,0,0|1,1,0]=4 217 B13R2.43 O=CC1=NC2=C(C=CC(F)=C2)N1 MC106940 [1,1,0,0,0,0|0,0,1]=3 218 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 MC31142 [1,1,0,0,0,0|2,0,0]=4 219 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)N2 CS16845 [1,1,0,0,0,0|2,0,0]=4 220 B13R2.2121 COC1=CC=C2CC(=O)NC2=C1 CS15903 [1,1,0,0,0,0|2,0,0]=4 221 B13R2.3050 CC1=CC2=C(F)C(F)=CC=C2N1 CS16155 [1,1,0,0,0,0|2,0,0]=4 222 B13R2.3050 O=C1CC2=C(Cl)C(F)=CC=C2N1 MC432287 [1,1,0,0,0,0|1,0,0]=3 223 B13R2.3050 O=C1CC2=C(Cl)C(F)=CN=C2N1 MC103568 [1,1,0,0,0,0|2,0,0]=4 224 B13R2.5397 NC1=C2NC(=O)CC2=CC(F)=C1 CS15843 [1,1,0,0,0,0|1,0,0]=3 225 B13R2.5397 O=C1CC2=C(F)C=C(F)C=C2N1 CS21956 [1,1,0,0,0,0|1,0,0]=3 226 B13R2.5397 O=C1NC2=C(N1)C(F)=CC(F)=C2 MC429644 [1,1,0,0,0,0|0,0,0]=2 227 B13R2.13083 CC1=C(Br)C=C2CC(=O)NC2=C1 CS18009 [1,1,0,0,0,0|1,1,0]=4 228 B13R2.13083 NC1=CC2=C(C=C1Cl)NC(=O)N2 MC443779 [1,1,0,0,0,0|0,1,0]=3 229 B13R2.13083 O=C1CC2=CC(Cl)=C(Cl)C=C2N1 MC433916 [1,1,0,0,0,0|1,1,0]=4 230 B13R2.13083 O=C1CC2=CC(F)=C(Br)C=C2N1 MC121315 [1,1,0,0,0,0|1,0,0]=3 231 B13R2.13083 O=C1CC2=CC(F)=C(F)C=C2N1 MC20053 [1,1,0,0,0,0|1,0,0]=3 232 B13R2.13083 O=C1Cc2cc(F)c(Cl)cc2N1 MC433914 [1,1,0,0,0,0|1,0,0]=3 233 B13R2.13083 O=C1NC2=C(C=C(Br)C(Cl)=C2)O1 CS11077 [1,1,0,0,0,0|1,1,0]=4 234 B13R2.13083 S=C1NC2=C(C=C(I)C(Cl)=C2)N1 MC443611 [1,1,0,0,0,0|0,2,0]=4 235 B13R2.662 O=CC1=CNC2=CC(F)=CC=C12 CS10948 [1,1,0,0,0,0|1,0,1]=4 236 B13R2.11642 OC1=NNC2=CC(F)=CC(Br)=C21 MC115269 [1,1,0,0,0,0|2,0,0]=4 237 B15R2.1754 NCC1=CC2=CC=C(F)C=C2NC1=O MC431500 [0,1,0,0,0,1|2,0,0]=4 238 B15R2.21336 N#CC1=CC=C2CC(O)C(=O)NC2=C1 MC107640 [0,1,0,0,0,1|2,0,0]=4 239 B15R2.89401 COC1=CC2=C(C=C1)N(O)C(=O)CO2 MC102553 [0,1,0,0,0,1|2,0,0]=4 240 B15R2.45549 CN1C(=O)N(C)C2=C1C=C(N)C(Br)=C2 MC443749 [0,2,0,0,0,0|1,1,0]=4 241 B15R2.6574 O=C1NC2=C(Cl)C(Cl)=CC=C2\C1=N\O MC443038 [0,2,0,0,0,0|1,1,0]=4 242 B13R2.155 Nc1ccc2c(c1)NC(=O)CO2 MC41745 [0,0,1,1,0,0|2,0,0]=4 243 B13R2.155 O=C1C=NC2=CC=C(F)C=C2N1 MC431055 [0,0,1,1,0,0|2,0,0]=4 244 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)N1 CS10626 [0,0,1,1,0,0|1,1,0]=4 245 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 MC442305 [0,0,1,1,0,0|1,1,0]=4 246 B13R2.155 O=C1COC2=C(C=C(O)C=C2)N1 MC441074 [0,0,1,1,0,0|2,0,0]=4 247 B13R2.5179 O=C1COC2=C(C=CC=C2O)N1 MC441078 [0,0,1,1,0,0|2,0,0]=4 248 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 MC41284 [0,0,1,0,1,0|2,0,0]=4 249 B11R1.23 COC(=O)C1=CC(F)=CC=C1 MC40102 [0,0,1,0,1,0|2,0,0]=4 250 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 MC429588 [0,0,1,0,1,0|1,0,0]=3 251 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS15383 [0,0,1,0,1,0|2,0,0]=4 252 B11R1.23 O=C(OO)C1=CC(Cl)=CC=C1 MC20584 [0,0,1,0,1,0|1,1,0]=4 253 B13R1.132 NC(=O)CC(=O)C1=CC=C(F)C=C1 MC427047 [0,0,1,0,0,1|1,0,1]=4 254 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 MC107481 [1,0,0,0,0,1|1,0,0]=3 255 B13R2.328 NC1=CC(=O)NC2=CC=CC=C12 CS22591 [1,0,0,0,0,1|2,0,0]=4 256 B13R2.328 O=C1C=C(O)C2=NC=CC=C2N1 CS17474 [1,0,0,0,0,1|2,0,0]=4 257 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CS10996 [1,0,0,0,0,1|1,0,1]=4 258 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 CS11507 [1,0,0,0,0,1|1,0,1]=4 259 B13R2.3683 NC1=CC=C2NC(=O)C=CC2=C1 MC442450 [1,0,0,0,0,1|2,0,0]=4 260 B13R2.3683 NC1=CC=C2NC(=O)C=NC2=C1 MC443765 [1,0,0,0,0,1|1,0,1]=4 261 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2N1 CS18810 [1,0,0,0,0,1|1,1,0]=4 262 B13R2.3683 O=C1C=NC2=CC(Br)=CC=C2N1 CS13132 [1,0,0,0,0,1|0,1,1]=4 263 B13R2.3683 O=C1C=NC2=CC(Cl)=CC=C2N1 CS13992 [1,0,0,0,0,1|0,1,1]=4 264 B13R2.3683 O=C1CC2=CC=C(Br)C=C2CN1 CS12768 [1,0,0,0,0,1|1,1,0]=4 265 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2N1 CS14148 [1,0,0,0,0,1|1,1,0]=4 266 B13R2.3683 O=C1CCC2=CC(F)=CC=C2C1 CS11331 [1,0,0,0,0,1|2,0,0]=4 267 B13R2.3683 O=C1CCC2=CC(F)=CC=C2N1 MC441110 [1,0,0,0,0,1|1,0,0]=3 268 B13R2.3683 O=C1CCC2=CC(I)=CC=C2N1 MC106640 [1,0,0,0,0,1|1,1,0]=4 269 B13R2.3683 O=C1CCC2=CC(O)=CC=C2N1 CS22115 [1,0,0,0,0,1|2,0,0]=4 270 B13R2.3683 O=C1COC2=C(C=CC(Br)=C2)N1 MC442200 [1,0,0,0,0,1|1,1,0]=4 271 B13R2.3683 O=C1COC2=C(C=CC(Cl)=C2)N1 CS10801 [1,0,0,0,0,1|1,1,0]=4 272 B13R2.3683 O=C1COC2=C(C=CC(F)=C2)N1 MC442458 [1,0,0,0,0,1|1,0,0]=3 273 B13R2.3683 O=C1COC2=C(C=CC(I)=C2)N1 CS15735 [1,0,0,0,0,1|1,1,0]=4 274 B13R2.3683 O=C1COC2=C(C=CC(O)=C2)N1 MC442454 [1,0,0,0,0,1|2,0,0]=4 275 B13R2.3683 O=C1N=CC2=CC(Br)=CC=C2N1 MC444421 [1,0,0,0,0,1|0,1,1]=4 276 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CO1 MC10146 [1,0,0,0,0,1|1,1,0]=4 277 B13R2.3683 O=C1NCC2=CC(Br)=CC=C2N1 MC115916 [1,0,0,0,0,1|0,1,0]=3