0 B13R1.464 CCOC(=O)C1=C(C#N)N=CC=C1 C76409 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.464 CCOC(=O)C1=C(CBr)C=CC=C1 F11922 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.464 CCOC(=O)C1=C(CN)N=CC=C1 S11622 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.464 CCOC(=O)C1=C(NC)N=CC=C1 AC2786 [0,0,0,0,0,0|1,0,0]=1 4 B13R1.464 CCOC(=O)C1=C(NN)N=CC=C1 W15401 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.464 CCOC(=O)C1=CC=CN=C1CCl 33609 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.77 C=CC1=C(C(=O)OC)C=CC=C1 F53555 [1,0,0,0,0,0|1,0,1]=3 7 B12R1.77 C=CC1=C(C(=O)OC)C=CC=N1 70929 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10282 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10283 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10315 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y11966 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y11967 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y12173 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.77 COC(=O)C1=C(C#N)C=NC=C1 85332 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.77 COC(=O)C1=C(CCl)C=CN=C1 63528 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.77 COC(=O)C1=C(CN)N=CC=C1 O11853 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.77 COC(=O)C1=C(NN)C=CC=C1 20930 [1,0,0,0,0,0|1,0,0]=2 18 B12R1.77 COC(=O)C1=CC=CN=C1CCl 84738 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.77 COC(=O)C1=NC=CC=C1C#N AC6324 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.77 COC(=O)C1=NC=CC=C1OC 27447 [1,0,0,0,0,0|2,0,0]=3 21 B12R1.77 N#CC1=C(C(=O)CBr)C=CC=C1 F13302 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20117 [1,0,0,0,0,0|2,0,1]=4 23 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20119 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 N13254 [1,0,0,0,0,0|2,0,1]=4 25 B12R1.308 CCOC(=O)C1=C(Br)C=NC=N1 67175 [1,0,0,0,0,0|3,0,0]=4 26 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 72062 [1,0,0,0,0,0|1,0,0]=2 27 B12R1.308 CCOC(=O)C1=C(C)C=NN=C1 P12076 [1,0,0,0,0,0|2,0,0]=3 28 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 29844 [1,0,0,0,0,0|2,0,0]=3 29 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 P11140 [1,0,0,0,0,0|2,0,0]=3 30 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=N1 W18461 [1,0,0,0,0,0|2,0,0]=3 31 B12R1.308 CCOC(=O)C1=C(N)C=CN=C1 A12134 [1,0,0,0,0,0|1,0,0]=2 32 B12R1.308 CCOC(=O)C1=C(N)N=NC=C1 31637 [1,0,0,0,0,0|2,0,0]=3 33 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 BL009831 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.308 CCOC(=O)C1=CC=CN=C1Br 24958 [1,0,0,0,0,0|2,0,0]=3 35 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl 84692 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.308 CCOC(=O)C1=NC=CC=C1C 30595 [1,0,0,0,0,0|1,0,0]=2 37 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl I10105 [1,0,0,0,0,0|3,0,0]=4 38 B12R1.308 CCOC(=O)C1=NC=CN=C1N 89343 [1,0,0,0,0,0|2,0,0]=3 39 B12R1.308 CONC(=O)C1=C(N)C=CC=C1 W13132 [1,0,0,0,0,0|2,0,0]=3 40 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 AC7173 [1,0,0,0,0,0|3,0,0]=4 41 B14R1.95 COC1=C(C(=O)N(C)OC)C=CC=C1 C14550 [0,1,0,0,0,0|3,0,0]=4 42 B14R1.263 CCCC(=O)C1=C(OCC)C=CN=C1 C73580 [0,1,0,0,0,0|3,0,0]=4 43 B14R1.263 CCOC(=O)C1=C(COC)C=CC=C1 F53232 [0,1,0,0,0,0|1,0,0]=2 44 B14R1.263 CCOC(=O)C1=NC=CC=C1CC#N S11627 [0,1,0,0,0,0|2,0,1]=4 45 B14R1.599 CCNC(=O)C1=CC(Br)=CN=C1OC W19520 [0,1,0,0,0,0|3,0,0]=4 46 B14R1.599 CCOC(=O)C1=C(C#N)C=CC(Br)=C1 D84512 [0,1,0,0,0,0|2,0,0]=3 47 B14R1.599 CCOC(=O)C1=C(C#N)C=CC(F)=C1 35033 [0,1,0,0,0,0|2,0,0]=3 48 B14R1.599 CCOC(=O)C1=CC(Br)=CN=C1C=O D97050 [0,1,0,0,0,0|3,0,0]=4 49 B14R1.623 CCOC(=O)C1=C(C(Br)Br)C=CC=C1 F53189 [0,1,0,0,0,0|2,0,0]=3 50 B14R1.623 CCOC(=O)C1=C([N+](=O)[O-])C=CC=N1 31859 [0,1,0,0,0,0|2,0,1]=4 51 B14R1.623 CCOC(=O)C1=CC=CN=C1C(F)F 92833 [0,1,0,0,0,0|3,0,0]=4 52 B14R1.939 COC1=C(C(=O)CCC#N)C=CC=C1 W12109 [0,1,0,0,0,0|2,0,1]=4 53 B14R1.7233 CCOC(=O)C1=C(OC)C=C(N)C=C1 54703 [0,1,0,0,0,0|1,0,0]=2 54 B14R1.7233 CCOC(=O)C1=NC=C(N)C=C1OC 52586 [0,1,0,0,0,0|2,0,0]=3 55 B14R1.7276 CCOC(=O)C1=C(Br)C=CC=C1CBr F30557 [0,1,0,0,0,0|2,0,0]=3 56 B14R2.510 CN1C=C(CCN)C2=C1C=CC=C2 VT1228 [0,0,0,1,0,0|3,0,0]=4 57 B14R2.510 CN1C=C(CCO)C2=C1C=CC=C2 D82741 [0,0,0,1,0,0|3,0,0]=4 58 B14R2.7724 CN1C(=O)NC(=O)C2=C1C=CC=C2 C75825 [0,0,0,1,0,0|2,0,1]=4 59 B14R2.9964 CCOC(=O)C1=CC2C=CC1CC2 F11887 [0,0,0,1,0,0|1,0,2]=4 60 B14R2.11635 COC1=CC=CC2=C1C(=O)CCO2 N10549 [0,0,0,1,0,0|3,0,0]=4 61 B12R1.316 CCOC(=O)C1=C(C#N)C=CN1 70931 [0,0,0,0,1,0|3,0,0]=4 62 B12R1.316 CCOC(=O)C1=C(C=O)C=CN1 R10010 [0,0,0,0,1,0|3,0,0]=4 63 B12R1.316 CCOC(=O)C1=C(C=O)NC=C1 D79328 [0,0,0,0,1,0|3,0,0]=4 64 B12R1.316 CCOC(=O)C1=C(C=O)SC=C1 F51471 [0,0,0,0,1,0|3,0,0]=4 65 B12R1.316 CCOC(=O)C1=C(CC)OC=N1 W11655 [0,0,0,0,1,0|3,0,0]=4 66 B12R1.316 CCOC(=O)C1=CNN=C1OC P11689 [0,0,0,0,1,0|3,0,0]=4 67 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 77937 [2,0,0,0,0,0|1,0,1]=4 68 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 79244 [2,0,0,0,0,0|1,0,1]=4 69 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 O10770 [2,0,0,0,0,0|2,0,0]=4 70 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 O11001 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.53 CCC1=C(C(=O)O)C=NC=C1 C75477 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.53 CCC1=C(C(C)=O)C=CC=C1 A10857 [2,0,0,0,0,0|1,0,0]=3 73 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 C73575 [2,0,0,0,0,0|0,0,0]=2 74 B11R1.53 COC1=C(C(C)=O)C=CC=N1 32755 [2,0,0,0,0,0|2,0,0]=4 75 B11R1.53 COC1=C(C(C)=O)C=CN=C1 C76667 [2,0,0,0,0,0|2,0,0]=4 76 B11R1.53 COC1=C(C(C)=O)C=NC=C1 CS1683 [2,0,0,0,0,0|2,0,0]=4 77 B11R1.222 CC1=C(C(=O)C#N)C=CC=C1 AB1507 [2,0,0,0,0,0|1,0,1]=4 78 B11R1.222 CCC(=O)C1=C(Br)C=CC=N1 D81028 [2,0,0,0,0,0|2,0,0]=4 79 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 20083 [2,0,0,0,0,0|1,0,1]=4 80 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 F16885 [2,0,0,0,0,0|1,0,1]=4 81 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10518 [2,0,0,0,0,0|1,0,1]=4 82 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10519 [2,0,0,0,0,0|1,0,1]=4 83 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 Y10722 [2,0,0,0,0,0|1,0,1]=4 84 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 I11422 [2,0,0,0,0,0|2,0,0]=4 85 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 26180 [2,0,0,0,0,0|2,0,0]=4 86 B11R1.222 COC(=O)C1=C(N)N=CN=C1 26406 [2,0,0,0,0,0|2,0,0]=4 87 B11R1.222 COC(=O)C1=C(N)N=NC=C1 32233 [2,0,0,0,0,0|2,0,0]=4 88 B11R1.222 COC(=O)C1=C(O)C=CN=C1 F30285 [2,0,0,0,0,0|2,0,0]=4 89 B11R1.222 COC(=O)C1=NC=NC=C1N P21150 [2,0,0,0,0,0|2,0,0]=4 90 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 75535 [2,0,0,0,0,0|2,0,0]=4 91 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [2,0,0,0,0,0|2,0,0]=4 92 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [2,0,0,0,0,0|2,0,0]=4 93 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [2,0,0,0,0,0|2,0,0]=4 94 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [2,0,0,0,0,0|2,0,0]=4 95 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [2,0,0,0,0,0|2,0,0]=4 96 B13R1.107 CCC1=C(C(=O)OC)C=CC=C1O C73537 [1,1,0,0,0,0|1,0,0]=3 97 B13R1.107 COC(=O)C1=C(C#N)C(C)=CC=C1 S10851 [1,1,0,0,0,0|2,0,0]=4 98 B13R1.107 COC(=O)C1=C(OC)C(N)=CC=C1 D73910 [1,1,0,0,0,0|1,0,0]=3 99 B13R1.107 COC(=O)C1=C(OC)C(O)=CC=C1 D82749 [1,1,0,0,0,0|1,0,0]=3 100 B13R1.107 COC(=O)C1=CC=CC(Br)=C1CBr AR3734 [1,1,0,0,0,0|2,0,0]=4 101 B13R1.107 COC(=O)C1=CC=CC(Br)=C1OC 55833 [1,1,0,0,0,0|1,0,0]=3 102 B13R1.107 COC(=O)C1=CC=CC(F)=C1CBr 90027 [1,1,0,0,0,0|2,0,0]=4 103 B13R1.547 COC(=O)C1=C(C(C)=O)C=CC=C1 72700 [1,1,0,0,0,0|1,0,0]=3 104 B13R1.547 COC(=O)C1=C(C(C)C)C=CC=C1 AC7725 [1,1,0,0,0,0|1,0,0]=3 105 B13R1.547 COC(=O)C1=C(C(N)=O)C=CC=C1 AC7190 [1,1,0,0,0,0|2,0,0]=4 106 B13R1.547 COC(=O)C1=C([C@H](C)N)C=CC=C1 Y11575 [1,1,0,0,0,0|1,0,0]=3 107 B13R1.547 COC(=O)C1=C([C@H](C)N)C=CC=C1 Y11577 [1,1,0,0,0,0|1,0,0]=3 108 B13R1.2065 CCC1=C(C(=O)OC)C=CC(N)=C1 C71769 [1,1,0,0,0,0|1,0,0]=3 109 B13R1.2065 CNC1=CC(F)=NC=C1C(=O)OC D79969 [1,1,0,0,0,0|1,0,0]=3 110 B13R1.2065 COC(=O)C1=C(C#N)C=C(Cl)C=C1 84779 [1,1,0,0,0,0|2,0,0]=4 111 B13R1.2065 COC(=O)C1=C(C=O)C=C(Br)C=C1 98199 [1,1,0,0,0,0|2,0,0]=4 112 B13R1.2065 COC(=O)C1=C(C=O)C=C(O)C=C1 D79386 [1,1,0,0,0,0|2,0,0]=4 113 B13R1.2065 COC(=O)C1=C(OC)C=C(O)C=C1 F15602 [1,1,0,0,0,0|1,0,0]=3 114 B13R1.2065 COC(=O)C1=C(OC)N=C(Br)C=C1 C71051 [1,1,0,0,0,0|2,0,0]=4 115 B13R1.2065 COC(=O)C1=C(OC)N=C(Cl)C=C1 52594 [1,1,0,0,0,0|2,0,0]=4 116 B13R1.2065 COC(=O)C1=C(OC)N=C(N)C=C1 52593 [1,1,0,0,0,0|2,0,0]=4 117 B13R1.2065 COC(=O)C1=C(SC)C=C(Br)C=C1 W15270 [1,1,0,0,0,0|1,0,0]=3 118 B13R1.2065 COC(=O)C1=CN=C(Cl)C=C1OC 85559 [1,1,0,0,0,0|2,0,0]=4 119 B13R1.2065 COC(=O)C1=NC=C(Br)C=C1OC P11335 [1,1,0,0,0,0|2,0,0]=4 120 B13R1.2209 CCC1=C(C(=O)OC)C=C(Br)C=C1 CL9462 [1,1,0,0,0,0|1,0,0]=3 121 B13R1.2209 CNC1=C(C(=O)OC)C=C(Cl)C=C1 C75582 [1,1,0,0,0,0|0,0,0]=2 122 B13R1.2209 CNC1=C(C(=O)OC)C=C(F)C=C1 C77167 [1,1,0,0,0,0|0,0,0]=2 123 B13R1.2209 CNC1=C(C(=O)OC)N=C(Br)C=N1 N13229 [1,1,0,0,0,0|2,0,0]=4 124 B13R1.2209 CNC1=CC=C(C)N=C1C(=O)OC D81457 [1,1,0,0,0,0|1,0,0]=3 125 B13R1.2209 CNC1=CN=C(Cl)C=C1C(=O)OC 52090 [1,1,0,0,0,0|1,0,0]=3 126 B13R1.2209 COC(=O)C1=C(C#N)C=CC(N)=C1 N10633 [1,1,0,0,0,0|2,0,0]=4 127 B13R1.2209 COC(=O)C1=C(C=O)C=CC(F)=C1 55859 [1,1,0,0,0,0|2,0,0]=4 128 B13R1.2209 COC(=O)C1=C(CBr)C=CC(I)=C1 87914 [1,1,0,0,0,0|2,0,0]=4 129 B13R1.2209 COC(=O)C1=C(CN)C=CC(Br)=C1 CL9469 [1,1,0,0,0,0|2,0,0]=4 130 B13R1.2209 COC(=O)C1=C(NN)C=CC(Cl)=C1 D88070 [1,1,0,0,0,0|1,0,0]=3 131 B13R1.2209 COC(=O)C1=C(OC)C=CC(Cl)=N1 W18514 [1,1,0,0,0,0|2,0,0]=4 132 B13R1.2209 COC(=O)C1=C(OC)C=CC(F)=C1 N12614 [1,1,0,0,0,0|1,0,0]=3 133 B13R1.2209 COC(=O)C1=C(OC)N=CC(N)=C1 85043 [1,1,0,0,0,0|2,0,0]=4 134 B13R1.2209 COC(=O)C1=C(OC)N=CC(O)=C1 82672 [1,1,0,0,0,0|2,0,0]=4 135 B13R1.2209 COC1=C(C(=O)CBr)C=C(Cl)C=C1 O10669 [1,1,0,0,0,0|2,0,0]=4 136 B13R1.2357 COC(=O)C1=C(CBr)C=CC=C1Cl 90025 [1,1,0,0,0,0|2,0,0]=4 137 B13R1.2357 COC(=O)C1=C(CBr)C=CC=C1F 90028 [1,1,0,0,0,0|2,0,0]=4 138 B13R1.2357 COC(=O)C1=C(Cl)C=CN=C1OC C72030 [1,1,0,0,0,0|2,0,0]=4 139 B13R1.2357 COC(=O)C1=C(F)C=CC=C1C=O 98195 [1,1,0,0,0,0|2,0,0]=4 140 B13R1.2357 COC(=O)C1=C(I)C=CC=C1CBr 54872 [1,1,0,0,0,0|2,0,0]=4 141 B13R1.2357 COC(=O)C1=C(I)C=CC=C1OC 58594 [1,1,0,0,0,0|1,0,0]=3 142 B13R1.2357 COC(=O)C1=C(N)C=CC=C1C#N CL9652 [1,1,0,0,0,0|2,0,0]=4 143 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1C F17492 [1,1,0,0,0,0|1,0,0]=3 144 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1N W11056 [1,1,0,0,0,0|1,0,0]=3 145 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1O Y13599 [1,1,0,0,0,0|1,0,0]=3 146 B13R1.2357 COC(=O)C1=C(OC)C=CN=C1Cl C13750 [1,1,0,0,0,0|2,0,0]=4 147 B13R1.12 CCOC(=O)C1=C(C)C(O)=CC=C1 W15304 [1,1,0,0,0,0|0,0,0]=2 148 B13R1.12 CCOC(=O)C1=C(O)C(=O)NC=C1 VT1103 [1,1,0,0,0,0|2,0,0]=4 149 B13R1.12 CCOC(=O)C1=CC=CC(Br)=C1C 54889 [1,1,0,0,0,0|0,0,0]=2 150 B13R1.12 CCOC(=O)C1=CN=CC(Br)=C1N C71948 [1,1,0,0,0,0|1,0,0]=3 151 B13R1.201 CC(C)CC(=O)C1=C(Cl)C=CC=C1 F10466 [1,1,0,0,0,0|2,0,0]=4 152 B13R1.446 CCOC(=O)C1=C(C)N=CC(N)=C1 61260 [1,1,0,0,0,0|1,0,0]=3 153 B13R1.446 CCOC(=O)C1=C(C)N=CC(O)=C1 76570 [1,1,0,0,0,0|1,0,0]=3 154 B13R1.446 CCOC(=O)C1=C(Cl)C=CC(I)=N1 AC4266 [1,1,0,0,0,0|2,0,0]=4 155 B13R1.446 CCOC(=O)C1=C(F)C=CC(I)=C1 C13331 [1,1,0,0,0,0|1,0,0]=3 156 B13R1.446 CCOC(=O)C1=C(I)C=CC(Br)=C1 88899 [1,1,0,0,0,0|1,0,0]=3 157 B13R1.446 CCOC(=O)C1=C(I)C=CC(C)=C1 88035 [1,1,0,0,0,0|1,0,0]=3 158 B13R1.446 CCOC(=O)C1=C(N)C=CC(Cl)=N1 38926 [1,1,0,0,0,0|1,0,0]=3 159 B13R1.446 CCOC(=O)C1=C(N)C=CC(F)=C1 C13859 [1,1,0,0,0,0|0,0,0]=2 160 B13R1.446 CCOC(=O)C1=C(O)C=CC(Cl)=C1 D84516 [1,1,0,0,0,0|1,0,0]=3 161 B13R1.446 CCOC(=O)C1=C(O)C=CC(I)=C1 I11795 [1,1,0,0,0,0|1,0,0]=3 162 B13R1.446 CCOC(=O)C1=CC(C)=CN=C1Cl C77011 [1,1,0,0,0,0|2,0,0]=4 163 B13R1.446 CCOC(=O)C1=CC(Cl)=CN=C1C C76833 [1,1,0,0,0,0|1,0,0]=3 164 B13R1.446 CCOC(=O)C1=CC(Cl)=NC=C1C W13318 [1,1,0,0,0,0|1,0,0]=3 165 B13R1.446 CCOC(=O)C1=CC(F)=CN=C1N D82961 [1,1,0,0,0,0|1,0,0]=3 166 B13R1.446 CCOC(=O)C1=CC(I)=CN=C1N C10333 [1,1,0,0,0,0|1,0,0]=3 167 B13R1.446 CCOC(=O)C1=CC(N)=CN=C1Cl A10683 [1,1,0,0,0,0|2,0,0]=4 168 B13R1.446 CCOC(=O)C1=NC(C)=CC=C1N P12349 [1,1,0,0,0,0|1,0,0]=3 169 B13R1.674 CCCCC(=O)C1=C(F)C=CC=C1 N13949 [1,1,0,0,0,0|2,0,0]=4 170 B13R1.696 CON(C)C(=O)C1=C(N)C=CC=C1 W15320 [1,1,0,0,0,0|2,0,0]=4 171 B13R1.1511 CCOC(=O)C1=C(Br)C=C(C)C=N1 D79318 [1,1,0,0,0,0|2,0,0]=4 172 B13R1.1511 CCOC(=O)C1=C(Br)C=C(Cl)N=C1 C73475 [1,1,0,0,0,0|2,0,0]=4 173 B13R1.1511 CCOC(=O)C1=C(C)C=C(Br)C=C1 AB9230 [1,1,0,0,0,0|0,0,0]=2 174 B13R1.1511 CCOC(=O)C1=C(C)N=C(C)C=C1 F11655 [1,1,0,0,0,0|1,0,0]=3 175 B13R1.1511 CCOC(=O)C1=C(C)N=C(Cl)C=C1 68231 [1,1,0,0,0,0|1,0,0]=3 176 B13R1.1511 CCOC(=O)C1=C(C)N=C(Cl)N=C1 36075 [1,1,0,0,0,0|2,0,0]=4 177 B13R1.1511 CCOC(=O)C1=C(C)N=C(N)N=C1 F20904 [1,1,0,0,0,0|2,0,0]=4 178 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(N)C=N1 A10748 [1,1,0,0,0,0|2,0,0]=4 179 B13R1.1511 CCOC(=O)C1=C(Cl)N=C(Br)C=C1 D82543 [1,1,0,0,0,0|2,0,0]=4 180 B13R1.1511 CCOC(=O)C1=C(F)C=C(I)C=C1 F20084 [1,1,0,0,0,0|1,0,0]=3 181 B13R1.1511 CCOC(=O)C1=C(N)C=C(Br)C=C1 20921 [1,1,0,0,0,0|0,0,0]=2 182 B13R1.1511 CCOC(=O)C1=C(N)C=C(F)C=C1 24450 [1,1,0,0,0,0|0,0,0]=2 183 B13R1.1511 CCOC(=O)C1=C(N)N=C(C)N=C1 H11478 [1,1,0,0,0,0|2,0,0]=4 184 B13R1.1511 CCOC(=O)C1=C(N)N=C(Cl)C=C1 AR2612 [1,1,0,0,0,0|1,0,0]=3 185 B13R1.1511 CCOC(=O)C1=C(O)C=C(Br)C=C1 AC5873 [1,1,0,0,0,0|1,0,0]=3 186 B13R1.1511 CCOC(=O)C1=C(O)N=C(C)C=C1 N11864 [1,1,0,0,0,0|2,0,0]=4 187 B13R1.1511 CCOC(=O)C1=CN=C(Cl)C=C1N 28003 [1,1,0,0,0,0|1,0,0]=3 188 B13R1.1511 CCOC(=O)C1=NC=C(Br)C=C1C C76541 [1,1,0,0,0,0|1,0,0]=3 189 B13R1.1511 CCOC(=O)C1=NC=C(Cl)C=C1N F14069 [1,1,0,0,0,0|1,0,0]=3 190 B13R1.1511 O=C(OCCl)C1=C(Cl)C=C(Cl)C=C1 A10904 [1,1,0,0,0,0|2,0,0]=4 191 B13R1.2819 CCNS(=O)(=O)C1=C(C)C=CC=C1 D88149 [1,1,0,0,0,0|2,0,0]=4 192 B13R1.2819 CCNS(=O)(=O)C1=C(N)C=CC=C1 AT23134 [1,1,0,0,0,0|2,0,0]=4 193 B13R1.4453 CCOC(=O)C1=C(Br)C=NC=C1F W11402 [1,1,0,0,0,0|2,0,0]=4 194 B13R1.4453 CCOC(=O)C1=C(C)C=CN=C1Br 58225 [1,1,0,0,0,0|1,0,0]=3 195 B13R1.4453 CCOC(=O)C1=C(C)C=CN=C1Cl 61196 [1,1,0,0,0,0|1,0,0]=3 196 B13R1.4453 CCOC(=O)C1=C(Cl)C=CN=C1Br FD10655 [1,1,0,0,0,0|2,0,0]=4 197 B13R1.4453 CCOC(=O)C1=C(Cl)C=NC=C1Cl D84511 [1,1,0,0,0,0|2,0,0]=4 198 B13R1.1508 CCOC(=O)C1=C(CC)C(C)=CN1 W16170 [0,1,0,0,1,0|2,0,0]=4 199 B15R1.9725 CCOC(=O)CC1=C(OC)C=C(Br)C=C1 88297 [0,1,0,0,0,1|1,0,0]=3 200 B15R1.1120 CCN(CC)C(=O)C1=C(OC)C=CC=C1 AB15041 [0,2,0,0,0,0|2,0,0]=4 201 B15R1.5618 CCOC(=O)C1=C(OCC)C=CC(Cl)=C1 D84505 [0,2,0,0,0,0|1,0,0]=3 202 B15R1.9231 CCOC(=O)C1=C(OCC)C=C(C)C=C1 O11753 [0,2,0,0,0,0|1,0,0]=3 203 B15R1.10611 CCOC(=O)C1=CC(Cl)=C(F)C=C1OC CL9464 [0,2,0,0,0,0|1,0,0]=3 204 B15R1.811 CCOC(=O)C1=C(C(F)(F)F)C=CC=C1 D75339 [0,2,0,0,0,0|2,0,0]=4 205 B15R1.1239 O=C(O)C1=C(C(=O)OCCO)C=CC=C1 W18064 [0,2,0,0,0,0|2,0,0]=4 206 B15R1.10569 CCOC(=O)C1=C([N+](=O)[O-])C=C(Br)C=C1 20957 [0,2,0,0,0,0|1,0,1]=4 207 B15R1.10602 CCOC(=O)C1=CC=CC(N)=C1[N+](=O)[O-] 34946 [0,2,0,0,0,0|1,0,1]=4 208 B15R1.4541 CC(C)(C)OC(=O)C1=C(CBr)C=CC=C1 21097 [0,2,0,0,0,0|2,0,0]=4 209 B15R1.86 CNC1=C(C(=O)OCC(C)C)C=CC=C1 31908 [0,2,0,0,0,0|0,0,0]=2 210 B15R1.10554 CCOC(=O)C1=C(CBr)C=C(OC)C=C1 SC5123 [0,2,0,0,0,0|2,0,0]=4 211 B15R1.10554 CCOC(=O)C1=C(NC)N=C(SC)N=C1 81187 [0,2,0,0,0,0|2,0,0]=4 212 B15R1.10558 CCOC(=O)C1=C(OC)C(=O)N(C)C=C1 84676 [0,2,0,0,0,0|2,0,0]=4 213 B15R1.36563 CCOC(=O)C1=C(OC)N=C(C)C=C1C 50681 [0,2,0,0,0,0|2,0,0]=4 214 B13R1.460 C=CC1=CC=CC(C(=O)OCC)=C1 F14502 [0,0,1,1,0,0|1,0,1]=4 215 B13R2.32 O=C1C2=C(C=CC=C2)OC[C@@H]1Br F31375 [1,0,0,1,0,0|2,0,0]=4 216 B13R2.371 N[C@H]1COC(=O)C2=C1C=CC=C2 Y11200 [1,0,0,1,0,0|2,0,0]=4 217 B13R2.371 O=C1CC[C@H](O)C2=C1C=CC=C2 70927 [1,0,0,1,0,0|2,0,0]=4 218 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 C75667 [1,0,0,1,0,0|2,0,0]=4 219 B13R2.582 COC1=C2C(=O)COC2=CC=C1 AC6681 [1,0,0,1,0,0|2,0,0]=4 220 B13R2.582 COC1=C2C(=O)NCC2=CC=C1 F17802 [1,0,0,1,0,0|2,0,0]=4 221 B13R2.582 COC1=C2C(=O)OCC2=CC=C1 N14311 [1,0,0,1,0,0|1,0,0]=3 222 B13R2.582 N#CC1=C2C(=O)CCC2=CC=C1 78421 [1,0,0,1,0,0|2,0,0]=4 223 B13R2.1613 CCC1=NCCC2=C1C=CC=C2 C75091 [1,0,0,1,0,0|2,0,0]=4 224 B13R2.2931 CN1C=C(CN)C2=C1C=CC=C2 P10372 [1,0,0,1,0,0|2,0,0]=4 225 B13R2.2931 CN1C=C(CO)C2=C1C=CC=C2 71232 [1,0,0,1,0,0|2,0,0]=4 226 B13R2.5252 O=C1NCCOC2=C1C=CC=C2 71397 [1,0,0,1,0,0|2,0,0]=4 227 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 81809 [1,0,0,1,0,0|2,0,0]=4 228 B13R2.45 CN1C(CN)=CC2=C1C=CC=C2 D70659 [1,0,0,1,0,0|2,0,0]=4 229 B13R2.67 C1=CC2=C(C=C1)NCCCCC2 91524 [1,0,0,1,0,0|1,0,1]=4 230 B13R2.67 C1=CC2=C(C=C1)NCCCNC2 C72386 [1,0,0,1,0,0|1,0,1]=4 231 B13R2.18 NC1=C(C2=NCCO2)C=CC=C1 AB11149 [1,0,0,1,0,0|1,0,0]=3 232 B13R2.18 NC1=C(C2OCCO2)C=CC=C1 AB9156 [1,0,0,1,0,0|0,0,2]=4 233 B13R2.328 C[C@H]1CC(=O)C2=C(C=CC=C2)N1 72373 [1,0,0,1,0,0|1,0,0]=3 234 B13R2.3097 CC1=C(C(=O)C2CC2)C=CC=C1 N13968 [1,0,0,1,0,0|1,0,0]=3 235 B13R2.4818 CC1=CC=CC2=C1C(=O)CCO2 I11462 [1,0,0,1,0,0|2,0,0]=4 236 B13R2.4818 CC1=CC=CC2=C1C(=O)NCC2 W15862 [1,0,0,1,0,0|1,0,0]=3 237 B13R2.4818 NC1=C2C(=O)CCCC2=CC=C1 W13328 [1,0,0,1,0,0|1,0,0]=3 238 B13R2.4818 O=C1CCCC2=CC=CC(Br)=C12 56817 [1,0,0,1,0,0|2,0,0]=4 239 B13R2.4818 O=C1CCCC2=CC=CC(Cl)=C12 58275 [1,0,0,1,0,0|2,0,0]=4 240 B13R2.4818 O=C1CCCC2=CC=CC(O)=C12 F15628 [1,0,0,1,0,0|2,0,0]=4 241 B13R2.4857 NC1=C2C(=O)OC(=O)C2=CC=C1 W18402 [1,0,0,1,0,0|1,0,1]=4 242 B13R2.4857 O=C1O[C@H](O)C2=CC=CC(Cl)=C12 57830 [1,0,0,1,0,0|2,0,0]=4 243 B15R2.73 CCOC(=O)C1=CNC2=C1C=CN=C2 C76111 [0,0,0,1,0,1|1,0,1]=4 244 B15R2.73 CCOC(=O)C1=NNC2=C1C=CN=C2 P10919 [0,0,0,1,0,1|2,0,0]=4 245 B15R2.73 CCOC(=O)C1=NNC2=CC=CN=C21 37459 [0,0,0,1,0,1|2,0,0]=4 246 B15R2.73 CCOC(=O)C1=NOC2=C1C=CC=C2 61596 [0,0,0,1,0,1|2,0,0]=4 247 B15R2.17340 CCCC(=O)C1=C2OCOC2=CC=C1 Y10826 [0,1,0,1,0,0|2,0,0]=4 248 B15R2.17340 CCOC(=O)C1=C2C=NNC2=CC=C1 Y11376 [0,1,0,1,0,0|1,0,1]=4 249 B15R2.17340 CCOC(=O)C1=C2CNCC2=CC=C1 53356 [0,1,0,1,0,0|0,0,0]=2 250 B15R2.17340 CCOC(=O)C1=C2NC=NC2=CC=C1 RB3110 [0,1,0,1,0,0|0,0,1]=3 251 B15R2.17340 CCOC(=O)C1=C2NN=CC2=CC=C1 34641 [0,1,0,1,0,0|0,0,1]=3 252 B15R2.89220 COC1=C2C(=O)CCCC2=C(Br)C=C1 SC4121 [0,1,0,1,0,0|2,0,0]=4 253 B15R2.20946 COC1=C2C(=O)CC(C)(C)C2=CC=C1 N14411 [0,1,0,1,0,0|2,0,0]=4 254 B15R2.13626 CN1C(=O)OC(=O)C2=C(Cl)C=CC=C21 Y10763 [0,1,0,1,0,0|1,0,1]=4 255 B11R1.199 CCOC(=O)C1=C(Br)C=CO1 F14070 [1,0,0,0,1,0|2,0,0]=4 256 B11R1.199 CCOC(=O)C1=C(C)OC=N1 68172 [1,0,0,0,1,0|2,0,0]=4 257 B11R1.199 CCOC(=O)C1=C(C)SC=N1 68023 [1,0,0,0,1,0|2,0,0]=4 258 B11R1.199 CCOC(=O)C1=C(N)C=CO1 67501 [1,0,0,0,1,0|1,0,0]=3 259 B11R1.199 CCOC(=O)C1=CC=CN1N 61488 [1,0,0,0,1,0|1,0,0]=3 260 B11R1.199 CCOC(=O)C1=NC=CN1N F51446 [1,0,0,0,1,0|2,0,0]=4 261 B11R1.199 CCOC(=O)C1=NOC=C1C 95083 [1,0,0,0,1,0|2,0,0]=4 262 B15R1.768 CCOC(=O)COC1=C(C#N)C=CC=C1 AC7704 [0,0,0,0,0,2|2,0,0]=4 263 B15R1.768 CCOC(=O)\C=C\C1=C(C#N)C=CC=C1 W11632 [0,0,0,0,0,2|2,0,0]=4