0 B12R2.252 O=C(O)C1=CC2=C(C=CN2)S1 W14888 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.252 O=C(O)C1=CC2=C(C=CO2)N1 61268 [0,0,0,0,0,0|1,1,0]=2 2 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 F12380 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.252 O=C(O)C1=CN2C=CN=C2S1 C76478 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.252 O=C(O)C1=NN2CCSC2=C1 F14390 [0,0,0,0,0,0|2,0,2]=4 5 B11R2.15 OCC1=CC2=C(C=CS2)S1 93745 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.400 O=C(O)C1=CC2=C(C=C(Cl)S2)N1 O10724 [0,1,0,0,0,0|1,0,0]=2 7 B13R2.400 O=C(O)C1=CN2N=C(Br)SC2=N1 27378 [0,1,0,0,0,0|3,0,0]=4 8 B13R2.531 COC(=O)C1=CC2=C(C=CS2)S1 F20567 [0,1,0,0,0,0|2,0,0]=3 9 B13R2.531 COC(=O)C1=CC2=C(N1)SC=C2 30265 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.531 COC(=O)C1=CC2=C(N=CS2)S1 D95083 [0,1,0,0,0,0|1,0,0]=2 11 B13R2.2334 CC1=C(C(=O)O)SC2=NC=CN21 27385 [0,1,0,0,0,0|3,0,0]=4 12 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CO2 C90707 [0,1,0,0,0,0|1,1,0]=3 13 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O F52519 [0,0,1,0,0,0|1,0,2]=4 14 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O D85261 [0,0,1,0,0,0|0,0,2]=3 15 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O F53130 [0,0,1,0,0,0|0,0,2]=3 16 B11R1.124 COCC1=CNC(C(=O)O)=C1 C72930 [0,0,1,0,0,0|3,0,0]=4 17 B13R2.430 NC(=O)C1=CC2=C(C=C1)NC=N2 C71539 [0,0,0,0,0,1|3,0,0]=4 18 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 25581 [0,0,0,0,0,1|1,1,0]=3 19 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 F51397 [0,0,0,0,0,1|2,0,0]=3 20 B13R2.430 O=C(O)C1=CC2=C(C=CS2)N=C1 76799 [0,0,0,0,0,1|1,0,1]=3 21 B13R2.430 O=C(O)C1=CC2=C(C=N1)N=CS2 F18587 [0,0,0,0,0,1|0,0,1]=2 22 B13R2.430 O=C(O)C1=CC2=C(N=CS2)N=C1 D85435 [0,0,0,0,0,1|0,0,1]=2 23 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 68019 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.430 O=C(O)C1=CC2=NC=NN2C=C1 80561 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 81216 [0,0,0,0,0,1|3,0,0]=4 26 B13R2.430 O=C(O)C1=CN2C=CN=C2C=N1 87400 [0,0,0,0,0,1|2,0,1]=4 27 B13R2.430 O=C(O)C1=CN2C=CN=C2N=C1 87403 [0,0,0,0,0,1|2,0,1]=4 28 B13R2.430 O=C(O)C1=CN2N=CN=C2C=C1 86364 [0,0,0,0,0,1|3,0,0]=4 29 B13R2.430 O=C(O)C1=CN=C2C=CNC2=C1 P10766 [0,0,0,0,0,1|2,0,1]=4 30 B13R2.430 O=C(O)C1=CN=C2C=COC2=C1 S11662 [0,0,0,0,0,1|1,1,1]=4 31 B13R2.430 O=C(O)C1=CN=C2NC=NC2=C1 36161 [0,0,0,0,0,1|2,0,0]=3 32 B13R2.430 O=C(O)C1=NC2=C(C=C1)N=CN2 F16682 [0,0,0,0,0,1|1,0,2]=4 33 B13R2.430 O=C(O)C1=NC2=C(C=C1)NC=C2 38388 [0,0,0,0,0,1|2,0,1]=4 34 B13R2.430 O=C(O)C1=NC2=C(N=C1)NC=C2 P21027 [0,0,0,0,0,1|2,0,1]=4 35 B13R2.430 O=C(O)C1=NC=C2NC=CC2=C1 27107 [0,0,0,0,0,1|1,0,2]=4 36 B13R2.430 O=C(O)C1=NC=C2OC=CC2=C1 27620 [0,0,0,0,0,1|2,0,1]=4 37 B13R2.430 OB(O)C1=CC2=C(C=C1)N=CS2 F11400 [0,0,0,0,0,1|2,0,1]=4 38 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 F53644 [0,0,0,0,0,1|3,0,0]=4 39 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 P15923 [0,0,0,0,0,1|2,0,0]=3 40 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 AC1335 [0,0,0,0,0,1|3,0,0]=4 41 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 37347 [0,0,0,0,0,1|3,0,0]=4 42 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 81378 [0,0,0,0,0,1|3,0,0]=4 43 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 87399 [0,0,0,0,0,1|2,0,0]=3 44 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 87593 [0,0,0,0,0,1|2,0,0]=3 45 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)N1 P11993 [0,0,0,0,0,1|1,0,0]=2 46 B13R2.435 O=C(O)C1=CC2=C(CCCC2)N1 AB9986 [0,0,0,0,0,1|2,0,1]=4 47 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 P11142 [0,0,0,0,0,1|1,0,0]=2 48 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 68599 [0,0,0,0,0,1|2,0,0]=3 49 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 L10193 [0,0,0,0,0,1|3,0,0]=4 50 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 C16851 [0,0,0,0,0,1|2,0,0]=3 51 B13R2.435 O=C(O)[C@@H]1CC2=C(N=CC=C2)N1 P17966 [0,0,0,0,0,1|1,0,2]=4 52 B13R2.435 OB(O)C1=CC2=C(N=CC=C2)N1 P15276 [0,0,0,0,0,1|2,0,1]=4 53 B10R1.66 O=C(O)CCC1=CN=CS1 97779 [1,0,1,0,0,0|0,0,2]=4 54 B10R1.66 O=C(O)\C=C\C1=NC=CS1 AC7829 [1,0,1,0,0,0|2,0,0]=4 55 B10R1.31 N#CC1=CC=C(C(=O)O)N1 C16499 [1,0,1,0,0,0|1,0,1]=4 56 B10R1.58 CC1=C(C)NC(C(=O)O)=C1 F30544 [1,0,1,0,0,0|1,0,1]=4 57 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)N1 W17455 [1,0,1,0,0,0|2,0,0]=4 58 B10R2.2 O=C1NC2=C(N1)SC=C2 C76269 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.389 CC(=O)NC1=CNC(C(=O)O)=C1 75997 [0,1,1,0,0,0|2,0,0]=4 60 B12R2.30 CN1C(C=O)=CC2=C1C=CS2 AT18495 [1,1,0,0,0,0|1,0,0]=3 61 B14R2.601 CC(=O)C1=CC2=C(C=C1)N=C(Cl)S2 C75896 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.601 NC1=NC2=C(C=C(C(=O)O)C=C2)N1 F31116 [0,1,0,0,0,1|2,0,0]=4 63 B14R2.601 NC1=NC2=C(C=CC(C(=O)O)=C2)S1 50948 [0,1,0,0,0,1|1,0,0]=3 64 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(O)O2 F50791 [0,1,0,0,0,1|1,1,0]=4 65 B14R2.601 O=C(O)C1=CC2=C(C=C1)SC(Cl)=N2 F30867 [0,1,0,0,0,1|1,0,0]=3 66 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CO2 31916 [0,1,0,0,0,1|1,1,0]=4 67 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CS2 C76362 [0,1,0,0,0,1|1,0,0]=3 68 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=N2 W18095 [0,1,0,0,0,1|1,1,0]=4 69 B14R2.966 COC(=O)C1=CC2=C(C=C1)SC=N2 F14217 [0,1,0,0,0,1|1,0,0]=3 70 B14R2.966 COC(=O)C1=CC2=C(C=CS2)C=C1 F18424 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.966 COC(=O)C1=CC2=C(C=N1)SC=C2 P21010 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.966 COC(=O)C1=CN=C2N=CNC2=C1 O11842 [0,1,0,0,0,1|1,0,1]=4 73 B14R2.966 COC(=O)C1=NC=C2NC=NC2=C1 68346 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.5998 O=C(O)C1=C(Cl)C2=C(C=CS2)N=C1 P10579 [0,1,0,0,0,1|1,0,1]=4 75 B14R2.24358 CN1C=NC2=C1C=C(C(=O)O)C=C2 26494 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.450 CN1C(C(=O)O)=CC2=C1N=CC=C2 P11863 [0,1,0,0,0,1|1,0,0]=3 77 B14R2.450 NC1=C(C(=O)O)SC2=NC=CN=C21 96691 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.450 NC1=C(C(=O)O)SC2=NC=NC=C21 31389 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.450 O=C(O)C1=C(Br)C2=C(N=CC=C2)S1 93478 [0,1,0,0,0,1|2,0,0]=4 80 B14R2.450 O=C(O)C1=C(Br)C2=NC=CN=C2S1 92795 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.450 O=C(O)C1=C(Cl)C2=C(N=CC=C2)S1 A10591 [0,1,0,0,0,1|2,0,0]=4 82 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)N1 69397 [0,1,0,0,0,1|2,0,0]=4 83 B14R2.972 COC(=O)C1=CC2=C(N=CN=C2)N1 P12243 [0,1,0,0,0,1|1,0,0]=3 84 B14R2.4529 CC1=CC2=C(C=N1)NC(C(=O)O)=C2 I10573 [0,1,0,0,0,1|1,0,0]=3 85 B14R2.4529 CC1=CC2=C(N=C1)NC(C(=O)O)=C2 P16127 [0,1,0,0,0,1|1,0,0]=3 86 B14R2.4529 CC1=NC2=C(C=C1)C=C(C(=O)O)N2 P12728 [0,1,0,0,0,1|1,0,0]=3 87 B14R2.4529 NC1=CC2=C(C=C1)NC(C(=O)O)=C2 33854 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.4529 NC1=CC2=C(N=C1)NC(C(=O)O)=C2 P12339 [0,1,0,0,0,1|1,0,0]=3 89 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 62484 [0,1,0,0,0,1|2,0,0]=4 90 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 82246 [0,1,0,0,0,1|2,0,0]=4 91 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 37259 [0,1,0,0,0,1|1,0,0]=3 92 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 82211 [0,1,0,0,0,1|2,0,0]=4 93 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 73384 [0,1,0,0,0,1|1,0,0]=3 94 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 P11143 [0,1,0,0,0,1|1,0,0]=3 95 B14R2.4529 O=C(O)C1=CC2=CN=C(Cl)C=C2N1 27545 [0,1,0,0,0,1|2,0,0]=4 96 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 38594 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 38418 [0,1,0,0,0,1|2,0,0]=4 98 B14R2.4529 O=C(O)C1=NC2=C(N=C(Cl)C=C2)N1 FD7078 [0,1,0,0,0,1|2,0,0]=4 99 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 25669 [0,1,0,0,0,1|2,0,0]=4 100 B14R2.7969 CC1=CC=CC2=C1NC(C(=O)O)=C2 74917 [0,1,0,0,0,1|2,0,0]=4 101 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CN=C2N1 P12153 [0,1,0,0,0,1|1,0,0]=3 102 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 80920 [0,1,0,0,0,1|1,0,0]=3 103 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2S1 57193 [0,1,0,0,0,1|2,0,0]=4 104 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Cl)=NC=C2 P15443 [0,1,0,0,0,1|1,0,0]=3 105 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 48732 [0,1,0,0,0,1|2,0,0]=4 106 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 27578 [0,1,0,0,0,1|1,0,0]=3 107 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)S1 53012 [0,1,0,0,0,1|2,0,0]=4 108 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=NC=N2 SC2471 [0,1,0,0,0,1|2,0,0]=4 109 B14R2.839 CCOC(=O)C1=CC2=C(N1)OC=C2 A12665 [0,2,0,0,0,0|2,0,0]=4 110 B14R2.839 CCOC(=O)C1=CC2=C(N=CS2)N1 P17549 [0,2,0,0,0,0|0,0,0]=2 111 B14R2.5617 CC1=C(C(=O)O)SC2=C1SC=C2Br D85360 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.64 CC1=C(CC(=O)O)SC=N1 AC1428 [0,0,1,0,1,0|1,0,1]=4 113 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 AT20412 [0,0,1,0,0,1|2,0,0]=4 114 B12R2.32 O=CC1=CC2=C(C=CC=N2)N1 24171 [1,0,0,0,0,1|2,0,0]=4 115 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 69373 [1,0,0,0,0,1|2,0,0]=4 116 B12R2.32 O=CC1=CC2=C(C=NC=C2)N1 F53415 [1,0,0,0,0,1|1,0,0]=3 117 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 83174 [1,0,0,0,0,1|1,0,0]=3 118 B12R2.32 O=CC1=CC2=CC=CN=C2S1 F30586 [1,0,0,0,0,1|2,0,0]=4 119 B12R2.32 OCC1=CC2=C(C=NC=C2)N1 79396 [1,0,0,0,0,1|1,0,1]=4 120 B12R2.32 OCC1=CC2=C(N=CN=C2)N1 P14462 [1,0,0,0,0,1|1,0,1]=4 121 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 F11397 [1,0,0,0,0,1|1,1,0]=4 122 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 Y10438 [1,0,0,0,0,1|1,1,0]=4 123 B12R2.44 O=CC1=CC2=C(C=C1)SC=N2 F13990 [1,0,0,0,0,1|1,0,0]=3 124 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 F18049 [1,0,0,0,0,1|2,0,0]=4 125 B12R2.44 OCC1=CC2=C(C=C1)N=CS2 98446 [1,0,0,0,0,1|1,0,1]=4 126 B12R2.44 OCC1=CC2=C(C=C1)SC=N2 F13985 [1,0,0,0,0,1|1,0,1]=4 127 B14R2.781 O=C(O)C1=CC2=CC=CN=C2N=C1 C71198 [0,0,0,0,0,2|1,0,1]=4 128 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 62874 [0,0,0,0,0,2|2,0,0]=4 129 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 C13312 [0,0,0,0,0,2|1,0,1]=4 130 B14R2.781 O=C(O)C1=CC2=CN=CC=C2C=C1 H10545 [0,0,0,0,0,2|2,0,0]=4 131 B14R2.781 O=C(O)C1=CC2=CN=CC=C2N=C1 K10111 [0,0,0,0,0,2|2,0,0]=4 132 B14R2.781 O=C(O)C1=CC2=CN=CN=C2C=C1 CS1518 [0,0,0,0,0,2|2,0,0]=4 133 B14R2.781 O=C(O)C1=CC2=NC=CC=C2N=C1 A11739 [0,0,0,0,0,2|2,0,0]=4 134 B14R2.781 O=C(O)C1=CC2=NC=NC=C2C=C1 37066 [0,0,0,0,0,2|2,0,0]=4 135 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 H10544 [0,0,0,0,0,2|1,0,1]=4 136 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)NC=N2 C75257 [0,0,0,0,0,2|2,0,0]=4 137 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 24899 [0,0,0,0,0,2|2,0,0]=4