0 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 T44620 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.252 O=C(O)C1=CC2=C(CSC2)S1 D45522 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.252 O=C(O)C1=CN2C=CN=C2S1 K42119 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 K42120 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.15 N#CC1=CC2=C(C=CS2)S1 T44190 [1,0,0,0,0,0|2,0,1]=4 5 B11R2.15 O=CC1=CC2=C(C=CS2)S1 T44688 [1,0,0,0,0,0|1,0,0]=2 6 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)S1 M48494 [0,1,0,0,0,0|0,0,0]=1 7 B13R2.531 COC(=O)C1=CC2=C(C=CS2)N1 M48493 [0,1,0,0,0,0|0,0,0]=1 8 B13R2.531 COC(=O)C1=CC2=CSC=C2S1 M48207 [0,1,0,0,0,0|3,0,0]=4 9 B13R2.3678 O=C(O)C1=CC2=C(CCC2=O)N1 X37622 [0,1,0,0,0,0|1,0,2]=4 10 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A46431 [0,0,1,0,0,0|0,1,2]=4 11 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O A46422 [0,0,1,0,0,0|0,0,2]=3 12 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O A43540 [0,0,1,0,0,0|1,0,2]=4 13 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O A46423 [0,0,1,0,0,0|2,0,1]=4 14 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O A46430 [0,0,1,0,0,0|0,1,2]=4 15 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O A46420 [0,0,1,0,0,0|0,0,2]=3 16 B11R1.124 COCC1=CNC(C(=O)O)=C1 M46434 [0,0,1,0,0,0|2,0,1]=4 17 B13R2.430 CC(=O)C1=CC2=C(C=C1)NC=C2 K24116 [0,0,0,0,0,1|3,0,0]=4 18 B13R2.430 CC(=O)C1=CN=C2NC=CC2=C1 P0329 [0,0,0,0,0,1|3,0,0]=4 19 B13R2.430 O=C(O)C1=CC2=C(C=C1)C=NN2 I3443 [0,0,0,0,0,1|3,0,0]=4 20 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CN2 B4612 [0,0,0,0,0,1|3,0,0]=4 21 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CO2 B20351 [0,0,0,0,0,1|2,1,0]=4 22 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 B47721 [0,0,0,0,0,1|2,0,0]=3 23 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 I5516 [0,0,0,0,0,1|2,0,0]=3 24 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=C2 I3442 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 B50993 [0,0,0,0,0,1|1,1,0]=3 26 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 B20156 [0,0,0,0,0,1|2,1,0]=4 27 B13R2.430 O=C(O)C1=CC2=C(C=C1)ON=C2 B60088 [0,0,0,0,0,1|2,1,0]=4 28 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 B64521 [0,0,0,0,0,1|1,0,0]=2 29 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=N2 B5791 [0,0,0,0,0,1|2,0,0]=3 30 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 I4654 [0,0,0,0,0,1|2,0,0]=3 31 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 B29936 [0,0,0,0,0,1|1,1,0]=3 32 B13R2.430 O=C(O)C1=CC2=C(C=CS2)N=C1 T12497 [0,0,0,0,0,1|0,0,1]=2 33 B13R2.430 O=C(O)C1=CC2=CC=CN2C=N1 P4029 [0,0,0,0,0,1|2,0,1]=4 34 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 P10748 [0,0,0,0,0,1|3,0,0]=4 35 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 I0355 [0,0,0,0,0,1|3,0,0]=4 36 B13R2.430 O=C(O)C1=CC=C2N=CSC2=N1 T37695 [0,0,0,0,0,1|2,0,1]=4 37 B13R2.430 O=C(O)C1=CN2C=CC=C2C=C1 K51178 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 I0347 [0,0,0,0,0,1|3,0,0]=4 39 B13R2.430 O=C(O)C1=CN2C=CN=C2C=N1 I38961 [0,0,0,0,0,1|3,0,0]=4 40 B13R2.430 O=C(O)C1=CN2C=CN=C2N=C1 K44880 [0,0,0,0,0,1|3,0,0]=4 41 B13R2.430 O=C(O)C1=CN2N=CC=C2N=C1 P7479 [0,0,0,0,0,1|2,0,1]=4 42 B13R2.430 O=C(O)C1=CN=C2C=CNC2=C1 A14875 [0,0,0,0,0,1|1,0,1]=3 43 B13R2.430 O=C(O)C1=CN=C2C=NNC2=C1 P13908 [0,0,0,0,0,1|2,0,1]=4 44 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 A0056 [0,0,0,0,0,1|2,0,0]=3 45 B13R2.430 O=C(O)C1=CN=C2NC=NC2=C1 I22615 [0,0,0,0,0,1|2,0,1]=4 46 B13R2.430 O=C(O)C1=CN=C2NN=CC2=C1 P0059 [0,0,0,0,0,1|3,0,0]=4 47 B13R2.430 O=C(O)C1=CN=C2SC=CC2=C1 T29526 [0,0,0,0,0,1|1,0,0]=2 48 B13R2.430 O=C(O)C1=NC2=C(C=C1)N=CN2 K16041 [0,0,0,0,0,1|2,0,1]=4 49 B13R2.430 O=C(O)C1=NC2=C(C=C1)NC=C2 A7905 [0,0,0,0,0,1|1,0,1]=3 50 B13R2.430 O=C(O)C1=NC2=C(C=C1)NN=C2 P7965 [0,0,0,0,0,1|2,0,1]=4 51 B13R2.430 O=C(O)C1=NC2=C(C=CN2)C=C1 P0213 [0,0,0,0,0,1|2,0,1]=4 52 B13R2.430 O=C(O)C1=NC=C2C=CNC2=C1 A13730 [0,0,0,0,0,1|1,0,1]=3 53 B13R2.430 O=C(O)C1=NC=C2C=NNC2=C1 H14275 [0,0,0,0,0,1|2,0,1]=4 54 B13R2.430 O=C(O)C1=NC=C2NC=CC2=C1 P32319 [0,0,0,0,0,1|2,0,0]=3 55 B13R2.430 O=C(O)C1=NC=C2NN=CC2=C1 P7962 [0,0,0,0,0,1|3,0,0]=4 56 B13R2.430 O=C(O)C1=NC=C2OC=CC2=C1 F47727 [0,0,0,0,0,1|1,1,0]=3 57 B13R2.430 O=C(O)C1=NN2C=CN=C2C=C1 I0270 [0,0,0,0,0,1|2,0,1]=4 58 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)SC=C2 N47720 [0,0,0,0,0,1|2,0,1]=4 59 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 K53902 [0,0,0,0,0,1|2,0,0]=3 60 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 B61955 [0,0,0,0,0,1|3,0,0]=4 61 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 A64883 [0,0,0,0,0,1|3,0,0]=4 62 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 B51360 [0,0,0,0,0,1|3,0,0]=4 63 B13R2.435 NC(=O)C1=CC2=CC=CNC2=N1 P29771 [0,0,0,0,0,1|2,0,1]=4 64 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 B48396 [0,0,0,0,0,1|3,0,0]=4 65 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 B38556 [0,0,0,0,0,1|2,0,0]=3 66 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 B36620 [0,0,0,0,0,1|2,0,0]=3 67 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)N1 A12533 [0,0,0,0,0,1|1,0,0]=2 68 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 T0447 [0,0,0,0,0,1|2,0,0]=3 69 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 P9023 [0,0,0,0,0,1|1,0,0]=2 70 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 F8714 [0,0,0,0,0,1|2,0,0]=3 71 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)N1 P14654 [0,0,0,0,0,1|1,0,0]=2 72 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 P0055 [0,0,0,0,0,1|1,0,0]=2 73 B13R2.435 O=C(O)C1=CC2=C(N=CC=N2)N1 P44883 [0,0,0,0,0,1|1,0,0]=2 74 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 P7615 [0,0,0,0,0,1|2,0,0]=3 75 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 T12732 [0,0,0,0,0,1|2,0,0]=3 76 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 K3713 [0,0,0,0,0,1|2,0,1]=4 77 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 K60831 [0,0,0,0,0,1|2,0,1]=4 78 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 K44878 [0,0,0,0,0,1|2,0,1]=4 79 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 P47888 [0,0,0,0,0,1|3,0,0]=4 80 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 B22825 [0,0,0,0,0,1|2,0,0]=3 81 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 B13965 [0,0,0,0,0,1|2,0,1]=4 82 B13R2.435 O=C(O)C1=NC2=C(C=CN=C2)N1 K44881 [0,0,0,0,0,1|2,0,0]=3 83 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 K44882 [0,0,0,0,0,1|2,0,0]=3 84 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 P47887 [0,0,0,0,0,1|2,0,1]=4 85 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 P15084 [0,0,0,0,0,1|2,0,1]=4 86 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 K9534 [0,0,0,0,0,1|1,0,2]=4 87 B13R2.435 OB(O)C1=CC2=C(N=CC=C2)N1 P30171 [0,0,0,0,0,1|2,0,1]=4 88 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [1,0,1,0,0,0|0,0,2]=4 89 B10R1.66 O=C(O)\C=C\C1=CC=CO1 F24145 [1,0,1,0,0,0|0,1,0]=3 90 B10R1.66 O=C(O)\C=C\C1=CC=CS1 T16653 [1,0,1,0,0,0|0,0,0]=2 91 B10R1.66 O=C(O)\C=C\C1=COC=C1 F4978 [1,0,1,0,0,0|1,1,0]=4 92 B10R1.66 O=C(O)\C=C\C1=CSC=C1 T61269 [1,0,1,0,0,0|1,0,0]=3 93 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 N7715 [1,0,1,0,0,0|1,0,1]=4 94 B10R1.31 O=CC1=CC=C(C(=O)O)O1 F42334 [1,0,1,0,0,0|1,1,0]=4 95 B10R1.31 O=CC1=CC=C(C(=O)O)S1 F60808 [1,0,1,0,0,0|1,1,0]=4 96 B10R2.2 O=C1NC2=C(N1)SC=C2 T40779 [2,0,0,0,0,0|1,0,0]=3 97 B12R1.104 N[C@@H](CC1=CC=C(Br)S1)C(=O)O A46138 [0,1,1,0,0,0|0,0,2]=4 98 B12R1.104 N[C@H](CC1=CC=C(Br)S1)C(=O)O A46137 [0,1,1,0,0,0|0,0,2]=4 99 B12R1.298 N#CC(=CC1=CN=CS1)C(=O)O C44361 [0,1,1,0,0,0|1,0,1]=4 100 B12R1.298 N#CC(=CC1=NC=CS1)C(=O)O C44360 [0,1,1,0,0,0|1,0,1]=4 101 B12R1.389 CC(=O)NC1=CNC(C(=O)O)=C1 A62820 [0,1,1,0,0,0|1,0,1]=4 102 B14R2.601 CC1=CC2=C(C=C(C(=O)O)C=C2)N1 M25102 [0,1,0,0,0,1|2,0,0]=4 103 B14R2.601 CC1=CC2=C(C=CC(C(=O)O)=C2)N1 M23910 [0,1,0,0,0,1|2,0,0]=4 104 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)S1 M51195 [0,1,0,0,0,1|2,0,0]=4 105 B14R2.601 NC1=NC2=C(C=C(C(=O)O)C=C2)S1 A38551 [0,1,0,0,0,1|2,0,0]=4 106 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(Br)S2 B38165 [0,1,0,0,0,1|2,0,0]=4 107 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(Cl)S2 C47397 [0,1,0,0,0,1|2,0,0]=4 108 B14R2.601 O=C(O)C1=CC2=C(C=C1)SC(Cl)=N2 C47398 [0,1,0,0,0,1|2,0,0]=4 109 B14R2.624 CC1=C(C(=O)O)C=C2C=CNC2=N1 M25956 [0,1,0,0,0,1|2,0,0]=4 110 B14R2.624 O=C(O)C1=C(Cl)C=C2C=CNC2=C1 C18256 [0,1,0,0,0,1|2,0,0]=4 111 B14R2.624 O=C(O)C1=C(Cl)C=C2NC=CC2=C1 C22683 [0,1,0,0,0,1|2,0,0]=4 112 B14R2.624 O=C(O)C1=C(F)C=C2C=COC2=C1 F37578 [0,1,0,0,0,1|1,1,0]=4 113 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CS2 M38948 [0,1,0,0,0,1|2,0,0]=4 114 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 M2325 [0,1,0,0,0,1|2,0,0]=4 115 B14R2.966 COC(=O)C1=CC2=C(C=C1)SC=C2 M61901 [0,1,0,0,0,1|1,0,0]=3 116 B14R2.966 COC(=O)C1=CC2=C(C=CN2)C=C1 M38475 [0,1,0,0,0,1|2,0,0]=4 117 B14R2.966 COC(=O)C1=CC2=C(C=CO2)C=C1 M61626 [0,1,0,0,0,1|1,1,0]=4 118 B14R2.966 COC(=O)C1=CC=C2C=CN=C2N1 M7960 [0,1,0,0,0,1|2,0,0]=4 119 B14R2.966 COC(=O)C1=CN=C2C=CNC2=C1 M1809 [0,1,0,0,0,1|1,0,1]=4 120 B14R2.966 COC(=O)C1=CN=C2NC=CC2=C1 P0212 [0,1,0,0,0,1|2,0,0]=4 121 B14R2.966 COC(=O)C1=NC2=C(C=C1)NC=C2 M25957 [0,1,0,0,0,1|1,0,1]=4 122 B14R2.966 COC(=O)C1=NC2=C(N=C1)NC=C2 M14602 [0,1,0,0,0,1|1,0,1]=4 123 B14R2.966 COC(=O)C1=NC=C2C=CNC2=C1 P7750 [0,1,0,0,0,1|1,0,1]=4 124 B14R2.966 COC(=O)C1=NC=C2NC=CC2=C1 M11632 [0,1,0,0,0,1|2,0,0]=4 125 B14R2.5719 CN1C=CC2=CC(C(=O)O)=CN=C21 M10374 [0,1,0,0,0,1|2,0,0]=4 126 B14R2.5998 O=C(O)C1=C(Cl)C2=C(C=CS2)N=C1 C12424 [0,1,0,0,0,1|0,0,1]=3 127 B14R2.5998 O=C(O)C1=C(Cl)C2=C(N=C1)NC=C2 C3810 [0,1,0,0,0,1|2,0,0]=4 128 B14R2.5998 O=C(O)C1=C(F)C2=C(C=C1)NC=C2 F63226 [0,1,0,0,0,1|2,0,0]=4 129 B14R2.5998 O=C(O)C1=C(F)C2=C(N=C1)NC=C2 F18203 [0,1,0,0,0,1|2,0,0]=4 130 B14R2.8824 CC1=C2C=CNC2=CC(C(=O)O)=C1 M53942 [0,1,0,0,0,1|2,0,0]=4 131 B14R2.8824 O=C(O)C1=CC(Br)=C2C=CNC2=C1 B15140 [0,1,0,0,0,1|2,0,0]=4 132 B14R2.8824 O=C(O)C1=CC(Cl)=C2C=CNC2=C1 C26121 [0,1,0,0,0,1|2,0,0]=4 133 B14R2.8824 O=C(O)C1=CC(F)=C2C=CNC2=C1 F26123 [0,1,0,0,0,1|2,0,0]=4 134 B14R2.24358 CC1=CNC2=C1C=C(C(=O)O)C=C2 M24409 [0,1,0,0,0,1|2,0,0]=4 135 B14R2.24358 CC1=CNC2=NC=C(C(=O)O)C=C12 M13786 [0,1,0,0,0,1|2,0,0]=4 136 B14R2.24358 CN1C=CC2=C1C=C(C(=O)O)C=C2 M53940 [0,1,0,0,0,1|2,0,0]=4 137 B14R2.24358 O=C(O)C1=CC2=C(C=C1)NC=C2Br B61461 [0,1,0,0,0,1|2,0,0]=4 138 B14R2.24358 O=C(O)C1=CC2=C(N=C1)NC=C2I I12409 [0,1,0,0,0,1|2,0,0]=4 139 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 M16318 [0,1,0,0,0,1|1,0,0]=3 140 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 M22616 [0,1,0,0,0,1|2,0,0]=4 141 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 M20601 [0,1,0,0,0,1|1,0,0]=3 142 B14R2.450 CN1C(C(=O)O)=CC2=C1N=CN=C2 M12552 [0,1,0,0,0,1|2,0,0]=4 143 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 A47894 [0,1,0,0,0,1|2,0,0]=4 144 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)N1 B50864 [0,1,0,0,0,1|1,0,0]=3 145 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)O1 C50779 [0,1,0,0,0,1|2,0,0]=4 146 B14R2.450 O=C(O)C1=C(Cl)C2=C(N=CC=C2)S1 C39052 [0,1,0,0,0,1|2,0,0]=4 147 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 M17396 [0,1,0,0,0,1|1,0,0]=3 148 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 M53804 [0,1,0,0,0,1|2,0,0]=4 149 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)N1 M12534 [0,1,0,0,0,1|1,0,0]=3 150 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)S1 M13607 [0,1,0,0,0,1|2,0,0]=4 151 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)N1 M3314 [0,1,0,0,0,1|1,0,0]=3 152 B14R2.972 COC(=O)C1=CC2=C(N=CN=C2)N1 M14021 [0,1,0,0,0,1|2,0,0]=4 153 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 M51395 [0,1,0,0,0,1|2,0,0]=4 154 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 M21987 [0,1,0,0,0,1|1,0,0]=3 155 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 M20000 [0,1,0,0,0,1|2,0,0]=4 156 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M53943 [0,1,0,0,0,1|1,0,0]=3 157 B14R2.4529 CC1=NC2=C(C=C1)C=C(C(=O)O)N2 M13886 [0,1,0,0,0,1|1,0,0]=3 158 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 C38242 [0,1,0,0,0,1|2,0,0]=4 159 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 A66229 [0,1,0,0,0,1|2,0,0]=4 160 B14R2.4529 NC1=CC2=C(C=C1)SC(C(=O)O)=C2 A51196 [0,1,0,0,0,1|2,0,0]=4 161 B14R2.4529 NC1=CC2=C(N=C1)NC(C(=O)O)=C2 A13885 [0,1,0,0,0,1|1,0,0]=3 162 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 B13084 [0,1,0,0,0,1|1,0,0]=3 163 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 B60538 [0,1,0,0,0,1|2,0,0]=4 164 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 B12709 [0,1,0,0,0,1|2,0,0]=4 165 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 C50770 [0,1,0,0,0,1|2,0,0]=4 166 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F4742 [0,1,0,0,0,1|1,0,0]=3 167 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 F63917 [0,1,0,0,0,1|2,0,0]=4 168 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 H51210 [0,1,0,0,0,1|1,0,0]=3 169 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 B4773 [0,1,0,0,0,1|1,0,0]=3 170 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 B50778 [0,1,0,0,0,1|2,0,0]=4 171 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 B12681 [0,1,0,0,0,1|2,0,0]=4 172 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=N2)N1 B14108 [0,1,0,0,0,1|1,0,0]=3 173 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 C9530 [0,1,0,0,0,1|1,0,0]=3 174 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 C50780 [0,1,0,0,0,1|2,0,0]=4 175 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=N2)N1 C12532 [0,1,0,0,0,1|1,0,0]=3 176 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=N2)N1 C4191 [0,1,0,0,0,1|1,0,0]=3 177 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 H51209 [0,1,0,0,0,1|1,0,0]=3 178 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)O1 H51002 [0,1,0,0,0,1|2,0,0]=4 179 B14R2.4529 O=C(O)C1=CC2=C(N=C(Cl)C=C2)N1 C4190 [0,1,0,0,0,1|1,0,0]=3 180 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 B1666 [0,1,0,0,0,1|1,0,0]=3 181 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 B17676 [0,1,0,0,0,1|1,0,0]=3 182 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 B17936 [0,1,0,0,0,1|2,0,0]=4 183 B14R2.4529 O=C(O)C1=CC2=CC(Br)=NC=C2N1 B47577 [0,1,0,0,0,1|1,0,0]=3 184 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 C4188 [0,1,0,0,0,1|1,0,0]=3 185 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 F12411 [0,1,0,0,0,1|1,0,0]=3 186 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 B7995 [0,1,0,0,0,1|1,0,0]=3 187 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 C7929 [0,1,0,0,0,1|1,0,0]=3 188 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)N1 B5840 [0,1,0,0,0,1|2,0,0]=4 189 B14R2.4529 O=C(O)C1=NC2=C(N=C(Cl)C=C2)N1 C26613 [0,1,0,0,0,1|2,0,0]=4 190 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 M21986 [0,1,0,0,0,1|1,0,0]=3 191 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 M21818 [0,1,0,0,0,1|2,0,0]=4 192 B14R2.7969 CC1=CC=CC2=C1NC(C(=O)O)=C2 M21988 [0,1,0,0,0,1|1,0,0]=3 193 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 B37796 [0,1,0,0,0,1|1,0,0]=3 194 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2S1 B12683 [0,1,0,0,0,1|2,0,0]=4 195 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2N1 B47576 [0,1,0,0,0,1|1,0,0]=3 196 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2F)S1 F47408 [0,1,0,0,0,1|2,0,0]=4 197 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 C22565 [0,1,0,0,0,1|2,0,0]=4 198 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 C1667 [0,1,0,0,0,1|1,0,0]=3 199 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 F23500 [0,1,0,0,0,1|1,0,0]=3 200 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Cl)=NC=C2 C25890 [0,1,0,0,0,1|1,0,0]=3 201 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 H51211 [0,1,0,0,0,1|1,0,0]=3 202 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 C0445 [0,1,0,0,0,1|2,0,0]=4 203 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=NC=C2 B47389 [0,1,0,0,0,1|2,0,0]=4 204 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2N1 B50868 [0,1,0,0,0,1|1,0,0]=3 205 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2O1 B9974 [0,1,0,0,0,1|2,0,0]=4 206 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2S1 B12710 [0,1,0,0,0,1|2,0,0]=4 207 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 C50879 [0,1,0,0,0,1|1,0,0]=3 208 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 C26344 [0,1,0,0,0,1|2,0,0]=4 209 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 F50889 [0,1,0,0,0,1|1,0,0]=3 210 B14R2.7969 O=C(O)C1=CC2=NC=CC(Cl)=C2S1 C12289 [0,1,0,0,0,1|2,0,0]=4 211 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)N1 E51814 [0,2,0,0,0,0|0,0,0]=2 212 B14R2.839 CCOC(=O)C1=CC2=C(N1)SC=N2 E25213 [0,2,0,0,0,0|2,0,0]=4 213 B14R2.10637 COC(=O)C1=CC2=C(N1)C(Br)=CS2 B5121 [0,2,0,0,0,0|0,0,0]=2 214 B12R2.1362 O=C(O)C1=NC=C2SC=CN21 I22751 [0,0,1,1,0,0|1,0,1]=4 215 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 A11151 [0,0,1,0,1,0|0,0,1]=3 216 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 A43153 [0,0,1,0,1,0|1,0,1]=4 217 B10R1.23 N[C@H](C(=O)O)C1=CSC=C1 A43158 [0,0,1,0,1,0|1,0,1]=4 218 B10R1.23 O=C(O)C(=O)C1=CC=CO1 F68890 [0,0,1,0,1,0|1,1,0]=4 219 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [0,0,1,0,0,1|2,0,0]=4 220 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O M62826 [0,0,1,0,0,1|2,0,0]=4 221 B12R1.125 CC1=C(C=CC(=O)O)C=CC=C1 M52420 [0,0,1,0,0,1|2,0,0]=4 222 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 B62216 [0,0,1,0,0,1|2,0,0]=4 223 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 C6638 [0,0,1,0,0,1|2,0,0]=4 224 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [0,0,1,0,0,1|2,0,0]=4 225 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [0,0,1,0,0,1|2,0,0]=4 226 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 M66326 [0,0,1,0,0,1|2,0,0]=4 227 B12R1.226 O=C(O)C=CC1=CC=CC(Cl)=C1 C39567 [0,0,1,0,0,1|2,0,0]=4 228 B12R1.226 O=C(O)C=CC1=CC=CC(I)=C1 K51272 [0,0,1,0,0,1|2,0,0]=4 229 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 I38005 [1,0,0,0,0,1|1,0,0]=3 230 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 B50964 [1,0,0,0,0,1|2,0,0]=4 231 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 B37929 [1,0,0,0,0,1|2,0,0]=4 232 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 F10728 [1,0,0,0,0,1|2,0,0]=4 233 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 P24641 [1,0,0,0,0,1|1,0,0]=3 234 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 P1530 [1,0,0,0,0,1|1,0,0]=3 235 B12R2.32 O=CC1=CC2=CC=CN=C2S1 T47760 [1,0,0,0,0,1|2,0,0]=4 236 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 B23090 [1,0,0,0,0,1|2,0,0]=4 237 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 M9932 [1,0,0,0,0,1|1,0,1]=4 238 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 B47759 [1,0,0,0,0,1|2,0,0]=4 239 B12R2.44 O=CC1=CC2=C(C=C1)NC=C2 F2137 [1,0,0,0,0,1|2,0,0]=4 240 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 B37163 [1,0,0,0,0,1|1,1,0]=4 241 B12R2.44 O=CC1=CC2=C(C=C1)SC=N2 B36746 [1,0,0,0,0,1|2,0,0]=4 242 B12R2.44 O=CC1=CC2=C(C=CN2)C=C1 F2138 [1,0,0,0,0,1|2,0,0]=4 243 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 B51038 [1,0,0,0,0,1|1,0,0]=3 244 B12R2.44 O=CC1=CN=C2NC=CC2=C1 P0327 [1,0,0,0,0,1|2,0,0]=4 245 B12R2.44 O=CC1=NC=C2NC=CC2=C1 P37025 [1,0,0,0,0,1|2,0,0]=4 246 B12R2.44 O=CC1=NC=C2OC=CC2=C1 F39054 [1,0,0,0,0,1|1,1,0]=4 247 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 B22245 [1,0,0,0,0,1|1,0,1]=4 248 B12R2.44 OCC1=CC2=C(C=CS2)C=C1 B24567 [1,0,0,0,0,1|1,0,1]=4 249 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 I3901 [0,0,0,0,0,2|1,0,1]=4 250 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 Q9606 [0,0,0,0,0,2|1,0,1]=4 251 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 Q53568 [0,0,0,0,0,2|1,0,1]=4 252 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 Q4615 [0,0,0,0,0,2|2,0,0]=4 253 B14R2.781 O=C(O)C1=CC2=CC=CN=C2N=C1 N50816 [0,0,0,0,0,2|1,0,1]=4 254 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 Q9590 [0,0,0,0,0,2|2,0,0]=4 255 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=N1 N7542 [0,0,0,0,0,2|1,0,1]=4 256 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 N64834 [0,0,0,0,0,2|1,0,1]=4 257 B14R2.781 O=C(O)C1=CC2=CN=CN=C2C=C1 Q0162 [0,0,0,0,0,2|2,0,0]=4 258 B14R2.781 O=C(O)C1=CC2=NC=CC=C2C=C1 Q16429 [0,0,0,0,0,2|2,0,0]=4 259 B14R2.781 O=C(O)C1=CC2=NC=CN=C2C=C1 Q50814 [0,0,0,0,0,2|2,0,0]=4 260 B14R2.781 O=C(O)C1=CC2=NC=NC=C2C=C1 Q7238 [0,0,0,0,0,2|2,0,0]=4 261 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 Q67454 [0,0,0,0,0,2|1,0,1]=4 262 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 N12774 [0,0,0,0,0,2|1,0,1]=4 263 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 N22131 [0,0,0,0,0,2|1,0,1]=4 264 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 N50815 [0,0,0,0,0,2|1,0,1]=4 265 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 I38816 [0,0,0,0,0,2|1,0,0]=3 266 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)S1 B53803 [0,0,0,0,0,2|2,0,0]=4 267 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 B37433 [0,0,0,0,0,2|2,0,0]=4