0 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC(=O)C1=NC(Br)=CS1 C15281 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,0,0,0,0,0|1,1,1]=3 3 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 CC(C)C1=CN=C(Br)S1 27295 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 CC(C)C1=CN=C(N)S1 84416 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC(C)C1=CSC(N)=N1 29941 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 CC(C)C1=NN=C(Br)S1 22935 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 CC(C)C1=NN=C(N)O1 71825 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 CC(C)C1=NNC(=O)C1 W16000 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 CC(C)C1=NNC(=O)O1 AT18783 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 CC(C)N1C=C(O)C=N1 Y11650 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 CC(C)N1C=CC(O)=N1 79210 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.35 CC1=CNC(C(C)C)=N1 F31131 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.35 CC1=NN=C(C(C)C)N1 A12905 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.35 CC1=NOC([C@H](C)N)=N1 70858 [0,0,0,0,0,0|2,1,0]=3 19 B9R1.35 CC1=NOC([C@H](C)N)=N1 70930 [0,0,0,0,0,0|2,1,0]=3 20 B9R1.35 C[C@H](N)C1=CC(Br)=CS1 D81119 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11515 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y13452 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.1 CC1=CC=C(CN)S1 71266 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.1 CC1=CC=C(CO)S1 W10513 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.1 CC1=CN=C(CO)N1 P16461 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.1 CC1=CN=C(CO)S1 C73831 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.1 CC1=CNC(C#N)=N1 O11258 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.1 CC1=CNC(C=O)=N1 23109 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.1 CC1=COC(C=O)=N1 P10997 [1,0,0,0,0,0|1,1,1]=4 30 B8R1.1 CC1=CSC(CCl)=N1 W16105 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.1 CC1=CSC(CO)=N1 78422 [1,0,0,0,0,0|1,0,0]=2 32 B8R1.1 CC1=NC(CBr)=CS1 C76311 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.1 CC1=NC(CBr)=NO1 F13555 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.1 CC1=NC(CCl)=NO1 C71636 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.1 CC1=NC(CN)=NO1 72162 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.1 CC1=NC(CO)=CN1 22905 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.1 CC1=NNC(CO)=N1 W19133 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.1 CC1=NOC(CN)=N1 S10792 [1,0,0,0,0,0|2,1,0]=4 39 B8R1.1 CCC1=CC=C(C)O1 A12137 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.1 CN1C=CC(CCl)=N1 33393 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.1 CN1C=NC(CCl)=N1 29909 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.1 CN1C=NC(CO)=N1 26175 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.1 CNC1=NC(Br)=CS1 A11743 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.1 CNC1=NC(C)=NS1 72649 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.1 N#CC1=NC(Br)=CS1 P10729 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.1 N#CC1=NC(Cl)=CS1 38062 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.1 NCC1=CC(Cl)=CS1 P12197 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.1 NCC1=NC(Br)=CS1 22984 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.1 NCC1=NC(Br)=CS1 68978 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.7 CC(=O)C1=NC=CO1 33464 [1,0,0,0,0,0|1,1,1]=4 51 B8R1.7 CC(C)C1=CC=CO1 81450 [1,0,0,0,0,0|1,1,0]=3 52 B8R1.7 CC(C)C1=CNC=N1 F30487 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.7 CC(C)C1=NCCO1 T71548 [1,0,0,0,0,0|0,1,2]=4 54 B8R1.7 CN(C)C1=NC=CS1 N10099 [1,0,0,0,0,0|1,0,0]=2 55 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [1,0,0,0,0,0|2,1,0]=4 56 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [1,0,0,0,0,0|2,1,0]=4 57 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.7 C[C@H](N)C1=CN=CS1 72023 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.7 C[C@H](N)C1=CNC=N1 F13130 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.7 C[C@H](N)C1=NC=CN1 72810 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.7 C[C@H](N)C1=NC=CO1 33710 [1,0,0,0,0,0|1,1,0]=3 66 B8R1.7 C[C@H](N)C1=NC=CS1 20319 [1,0,0,0,0,0|1,0,0]=2 67 B8R1.7 C[C@H](N)C1=NC=CS1 20320 [1,0,0,0,0,0|1,0,0]=2 68 B8R1.7 C[C@H](N)C1=NN=CO1 D79352 [1,0,0,0,0,0|2,1,0]=4 69 B8R1.7 C[C@H](N)C1=NNC=C1 AT26928 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.7 C[C@H](N)C1=NNC=C1 C90952 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.7 C[C@H](N)C1=NNC=C1 W11012 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.7 C[C@H](O)C1=CN=CS1 AT14805 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.7 C[C@H](O)C1=CNC=N1 71746 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.7 NC(=O)C1=NC=CS1 A10602 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33601 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33602 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33622 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10462 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10471 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10537 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.14 COC(=O)C1=NC(C)=NS1 72369 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.31 CC(C)C1=CC(CO)=NO1 F20217 [0,1,0,0,0,0|2,1,0]=4 84 B10R1.31 CC(C)C1=NC(CN)=NO1 71938 [0,1,0,0,0,0|1,1,0]=3 85 B10R1.31 CC(C)C1=NC=C(C=O)S1 AT15085 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.31 CC(C)C1=NC=C(CN)S1 D80421 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.31 CC(C)C1=NOC(CO)=N1 AC7240 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.31 CC(C)N1C=C(CN)C=N1 W17397 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.31 CC(C)N1C=CC(C=O)=N1 F14391 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.31 CNC1=NN=C(C(C)C)S1 71353 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.55 CC(C)(C)C1=CC(N)=NS1 38955 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.55 CC(C)(C)C1=NC(N)=NO1 72218 [0,1,0,0,0,0|2,1,0]=4 93 B10R1.55 CC(C)(C)C1=NSC(N)=N1 71946 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.55 CC(C)(O)C1=NC=C(Br)S1 D95112 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.55 CC1=CC(C(C)(C)C)=NN1 F13489 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.55 FC(F)(F)C1=NC(Br)=CS1 53661 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.55 NC1=CSC(C(F)(F)F)=N1 F13486 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 O10304 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.58 CC1=C(Br)SC(C(=O)O)=N1 F13815 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.58 CC1=C(Br)SC(C(=O)[O-])=N1 AT24928 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.58 CC1=C(C)NC(C(C)C)=N1 F21404 [0,1,0,0,0,0|1,0,0]=2 102 B10R1.58 CC1=NN(C(C)C)C=C1Br P18203 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.59 CC(C)C1=NC(I)=CN1C A11413 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.59 CC1=CC(N)=NN1C(C)C W18921 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.59 CC1=CC(O)=NN1C(C)C P18781 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.194 CC(C)C1=NC=C(I)N1C 74938 [0,1,0,0,0,0|2,0,1]=4 107 B10R2.14 BrC1=CN=C(C2CC2)S1 AT14899 [0,0,0,1,0,0|3,0,0]=4 108 B10R2.14 BrC1=NC(C2CC2)=CS1 78631 [0,0,0,1,0,0|3,0,0]=4 109 B10R2.14 BrC1=NOC(C2CC2)=N1 C14370 [0,0,0,1,0,0|2,1,0]=4 110 B10R2.14 CC1=CC(C2CC2)=NN1 A11992 [0,0,0,1,0,0|3,0,0]=4 111 B10R2.14 ClC1=NN(C2CC2)C=C1 P18188 [0,0,0,1,0,0|3,0,0]=4 112 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [0,0,0,0,0,1|2,0,1]=4 113 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,0,0,0,0,1|2,0,1]=4 114 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [0,0,0,0,0,1|3,0,0]=4 115 B10R1.13 CC(C)C1=NC=C(Br)C=C1 C71514 [0,0,0,0,0,1|2,0,0]=3 116 B10R1.13 CC(C)C1=NC=C(N)C=C1 D81293 [0,0,0,0,0,1|2,0,0]=3 117 B10R1.13 CC(C)C1=NC=C(N)C=C1 RB1132 [0,0,0,0,0,1|2,0,0]=3 118 B10R1.13 CC(C)C1=NN=C(Br)C=C1 Y11125 [0,0,0,0,0,1|2,0,0]=3 119 B10R1.13 CC(C)C1=NNC(=O)C=C1 65672 [0,0,0,0,0,1|2,0,0]=3 120 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [0,0,0,0,0,1|3,0,0]=4 121 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [0,0,0,0,0,1|3,0,0]=4 122 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.13 CC1=CN=C(C(C)C)C=N1 W18369 [0,0,0,0,0,1|1,0,0]=2 124 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [0,0,0,0,0,1|2,0,0]=3 125 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56575 [0,0,0,0,0,1|2,0,0]=3 126 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,0,0,0,0,1|2,0,0]=3 127 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [0,0,0,0,0,1|2,0,0]=3 128 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [0,0,0,0,0,1|2,0,0]=3 129 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT24774 [0,0,0,0,0,1|3,0,0]=4 130 B10R1.13 CN(C)C1=CN=C(Cl)C=C1 C15764 [0,0,0,0,0,1|3,0,0]=4 131 B10R1.13 CN(C)C1=CN=C(N)C=C1 N10123 [0,0,0,0,0,1|3,0,0]=4 132 B10R1.13 CN(C)C1=NC=C(N)C=N1 C10726 [0,0,0,0,0,1|3,0,0]=4 133 B10R1.13 CN(C)C1=NN=C(Br)C=C1 A12070 [0,0,0,0,0,1|3,0,0]=4 134 B10R1.13 CN(C)C1=NN=C(Cl)C=C1 S10309 [0,0,0,0,0,1|3,0,0]=4 135 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 81501 [0,0,0,0,0,1|3,0,0]=4 136 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11108 [0,0,0,0,0,1|3,0,0]=4 137 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11223 [0,0,0,0,0,1|3,0,0]=4 138 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 66671 [0,0,0,0,0,1|3,0,0]=4 139 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74099 [0,0,0,0,0,1|3,0,0]=4 140 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74101 [0,0,0,0,0,1|3,0,0]=4 141 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 81462 [0,0,0,0,0,1|3,0,0]=4 142 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D82399 [0,0,0,0,0,1|3,0,0]=4 143 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 N11298 [0,0,0,0,0,1|3,0,0]=4 144 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y11564 [0,0,0,0,0,1|3,0,0]=4 145 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N13196 [0,0,0,0,0,1|3,0,0]=4 146 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12226 [0,0,0,0,0,1|3,0,0]=4 147 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90530 [0,0,0,0,0,1|3,0,0]=4 148 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F17006 [0,0,0,0,0,1|3,0,0]=4 149 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 N11135 [0,0,0,0,0,1|3,0,0]=4 150 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10461 [0,0,0,0,0,1|3,0,0]=4 151 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y11597 [0,0,0,0,0,1|3,0,0]=4 152 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y13385 [0,0,0,0,0,1|3,0,0]=4 153 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 91193 [0,0,0,0,0,1|3,0,0]=4 154 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 Y10520 [0,0,0,0,0,1|3,0,0]=4 155 B10R1.13 C[C@H](O)C1=CN=C(Br)C=C1 AT11876 [0,0,0,0,0,1|3,0,0]=4 156 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [0,0,0,0,0,1|3,0,0]=4 157 B10R1.13 C[C@H](O)C1=NC=C(F)C=N1 F52098 [0,0,0,0,0,1|3,0,0]=4 158 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 W17842 [0,0,0,0,0,1|3,0,0]=4 159 B10R1.54 CC(C)CN1C=CC(N)=N1 W18928 [0,0,0,0,0,1|3,0,0]=4 160 B10R1.54 CC(C)OC1=NC=C(Br)S1 D70016 [0,0,0,0,0,1|3,0,0]=4 161 B10R1.54 CC1=CC=C(CN(C)C)O1 T71781 [0,0,0,0,0,1|3,0,0]=4 162 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [0,0,0,0,0,1|2,0,1]=4 163 B10R1.113 CC(C)C1=CC(Br)=CN=C1 C71734 [0,0,0,0,0,1|3,0,0]=4 164 B10R1.113 CC(C)C1=CC(Cl)=NC=N1 D95118 [0,0,0,0,0,1|3,0,0]=4 165 B10R1.113 CC(C)C1=CC=CC(=O)N1 D96359 [0,0,0,0,0,1|2,0,1]=4 166 B10R1.113 CC(C)C1=CC=CC(Br)=N1 35873 [0,0,0,0,0,1|2,0,0]=3 167 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 O10744 [0,0,0,0,0,1|2,0,0]=3 168 B10R1.113 CC(C)C1=CC=NC(N)=N1 92048 [0,0,0,0,0,1|2,0,0]=3 169 B10R1.113 CC(C)C1=CN=CC(N)=C1 C72026 [0,0,0,0,0,1|3,0,0]=4 170 B10R1.113 CC(C)C1=NC=CC(Br)=C1 F52115 [0,0,0,0,0,1|3,0,0]=4 171 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C77363 [0,0,0,0,0,1|3,0,0]=4 172 B10R1.113 CC(C)C1=NC=CC(N)=C1 F52587 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.113 CC(C)C1=NC=CC(O)=N1 W12564 [0,0,0,0,0,1|2,0,0]=3 174 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [0,0,0,0,0,1|3,0,0]=4 175 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [0,0,0,0,0,1|3,0,0]=4 177 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [0,0,0,0,0,1|3,0,0]=4 178 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [0,0,0,0,0,1|3,0,0]=4 179 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [0,0,0,0,0,1|3,0,0]=4 180 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [0,0,0,0,0,1|3,0,0]=4 181 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [0,0,0,0,0,1|2,0,0]=3 183 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11263 [0,0,0,0,0,1|3,0,0]=4 184 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11474 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.113 CN(C)C1=CC=CC(Br)=N1 92343 [0,0,0,0,0,1|3,0,0]=4 186 B10R1.113 CN(C)C1=NC=CC(Cl)=N1 F11794 [0,0,0,0,0,1|3,0,0]=4 187 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90542 [0,0,0,0,0,1|3,0,0]=4 188 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81642 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81648 [0,0,0,0,0,1|3,0,0]=4 190 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 N11222 [0,0,0,0,0,1|3,0,0]=4 191 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12109 [0,0,0,0,0,1|3,0,0]=4 192 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12110 [0,0,0,0,0,1|3,0,0]=4 193 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y13396 [0,0,0,0,0,1|3,0,0]=4 194 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 N11224 [0,0,0,0,0,1|3,0,0]=4 195 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 Y11269 [0,0,0,0,0,1|3,0,0]=4 196 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90537 [0,0,0,0,0,1|3,0,0]=4 197 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90538 [0,0,0,0,0,1|3,0,0]=4 198 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y11175 [0,0,0,0,0,1|3,0,0]=4 199 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y14741 [0,0,0,0,0,1|3,0,0]=4 200 B7R1.1 BrCC1=NC=CO1 92941 [2,0,0,0,0,0|1,1,0]=4 201 B7R1.1 BrCC1=NC=CS1 73557 [2,0,0,0,0,0|1,0,0]=3 202 B7R1.1 CCC1=NN=CO1 C10407 [2,0,0,0,0,0|1,1,0]=4 203 B7R1.1 CNC1=NC=CO1 71780 [2,0,0,0,0,0|1,1,0]=4 204 B7R1.1 CNC1=NC=CS1 26158 [2,0,0,0,0,0|1,0,0]=3 205 B7R1.1 CSC1=NC=CN1 AC1458 [2,0,0,0,0,0|2,0,0]=4 206 B7R1.1 CSC1=NC=CO1 O10533 [2,0,0,0,0,0|1,1,0]=4 207 B7R1.1 ClCC1=CC=CS1 79790 [2,0,0,0,0,0|2,0,0]=4 208 B7R1.1 ClCC1=NC=CS1 BL005472 [2,0,0,0,0,0|1,0,0]=3 209 B7R1.1 NCC1=NC=CN1 C72548 [2,0,0,0,0,0|2,0,0]=4 210 B7R1.1 NNC1=NC=CS1 C74550 [2,0,0,0,0,0|2,0,0]=4 211 B7R1.2 CC1=COC(Br)=N1 S10976 [2,0,0,0,0,0|1,1,0]=4 212 B7R1.2 CC1=COC(S)=N1 W16843 [2,0,0,0,0,0|1,1,0]=4 213 B7R1.2 CC1=CSC(Br)=C1 C15930 [2,0,0,0,0,0|2,0,0]=4 214 B7R1.2 CC1=CSC(C)=C1 O10605 [2,0,0,0,0,0|1,0,0]=3 215 B7R1.2 CC1=CSC(I)=N1 W17362 [2,0,0,0,0,0|1,0,0]=3 216 B7R1.2 CC1=NC(N)=NS1 AT11903 [2,0,0,0,0,0|2,0,0]=4 217 B7R1.2 CC1=NSC(Br)=N1 80337 [2,0,0,0,0,0|2,0,0]=4 218 B7R1.2 ClC1=CSC(Br)=N1 I11405 [2,0,0,0,0,0|2,0,0]=4 219 B7R1.2 NC1=NC(Cl)=CS1 F13356 [2,0,0,0,0,0|2,0,0]=4 220 B7R1.2 OC1=NC(Br)=CS1 C71316 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.7 CC1=CC=C(CCN)S1 29986 [1,1,0,0,0,0|2,0,0]=4 222 B9R1.7 CC1=CC=C(CCO)O1 F16227 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.7 CC1=NC(CCN)=NO1 72552 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.7 CCCC1=NC(I)=CN1 W16409 [1,1,0,0,0,0|2,0,0]=4 225 B9R1.7 NCCC1=CC(Br)=CS1 AC3072 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.21 CCC1=CSC(C=O)=N1 H10618 [1,1,0,0,0,0|1,0,1]=4 227 B9R1.23 CC1=C(C)SC(CO)=N1 S11102 [1,1,0,0,0,0|1,0,0]=3 228 B9R1.23 CCC1=NC(C)=C(Br)S1 C76798 [1,1,0,0,0,0|0,0,0]=2 229 B9R1.23 CCN1C=C(N)C(C)=N1 D79752 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [1,1,0,0,0,0|1,0,1]=4 231 B9R1.11 CC[C@H](C)C1=NCCS1 W15587 [1,1,0,0,0,0|0,0,2]=4 232 B9R1.11 C[C@@H](CO)C1=NC=CN1 A10618 [1,1,0,0,0,0|1,0,0]=3 233 B9R1.11 N[C@@H](CO)C1=CC=CS1 F16920 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.11 N[C@@H](CO)C1=CC=CS1 Y11116 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.19 CC(C)(C)C1=CC=CS1 AC4668 [1,1,0,0,0,0|1,0,0]=3 236 B9R1.19 CC(C)(O)C1=NC=CN1 W17929 [1,1,0,0,0,0|1,0,0]=3 237 B9R1.41 CC(C)C1=NNC=C1Br 39129 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.3 CNC1=CC=C(C(C)C)C=C1 D95133 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 Y13388 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.19 CC(C)(C)C1=CN=C(Br)C=C1 P18025 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.19 CC(C)(C)C1=CN=C(Cl)C=C1 P18762 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.19 CC(C)(C)C1=CN=C(N)C=C1 D95143 [0,1,0,0,0,1|2,0,0]=4 243 B11R1.19 CC(C)(C)C1=NC=C(Br)C=C1 84353 [0,1,0,0,0,1|2,0,0]=4 244 B11R1.19 CC(C)(C)C1=NC=C(Br)C=N1 66257 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.19 CC(C)(C)C1=NC=C(O)C=C1 F30395 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.19 CC(C)(O)C1=CN=C(N)C=C1 W17246 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.19 CC(C)(O)C1=NC=C(Br)C=N1 W13360 [0,1,0,0,0,1|2,0,0]=4 248 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 34381 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11363 [0,1,0,0,0,1|2,0,0]=4 250 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y11568 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y13394 [0,1,0,0,0,1|2,0,0]=4 252 B11R1.166 CC1=CN=C(C(C)C)C(Cl)=N1 W17934 [0,1,0,0,0,1|1,0,0]=3 253 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11601 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y12434 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.74 CC(C)C1=CC(Cl)=NC(N)=N1 W11428 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.74 CC(C)C1=NC(Cl)=NC(N)=N1 W11897 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.74 CC1=CC(C(C)C)=CC(Cl)=N1 80811 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.74 CC1=CC(O)=NC(C(C)C)=C1 C90501 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.74 CC1=NC(Cl)=NC(N(C)C)=N1 W11903 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.155 CC(C)(C)C1=CC=CC(Br)=N1 54478 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.155 CC(C)(C)C1=CC=CC(Cl)=N1 N11822 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.155 CC(C)(C)C1=CC=CC(N)=N1 F30953 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.155 CC(C)(C)C1=CC=NC(Cl)=N1 F16676 [0,1,0,0,0,1|2,0,0]=4 264 B11R1.155 CC(C)(C)C1=CC=NC(N)=N1 86974 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.155 CC(C)(C)C1=NC=CC(Cl)=N1 27720 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 60023 [0,1,0,0,0,1|2,0,0]=4 267 B11R1.159 CC1=CC=CC(C(C)C)=C1N 77942 [0,1,0,0,0,1|2,0,0]=4 268 B11R1.167 CC(C)C1=C(O)N=CC(Br)=N1 W13512 [0,1,0,0,0,1|2,0,0]=4 269 B11R1.266 CC(C)C1=CC=CC(C#N)=N1 39139 [0,1,0,0,0,1|1,0,1]=4 270 B11R1.266 CC(C)C1=CC=CC(CBr)=C1 39101 [0,1,0,0,0,1|2,0,0]=4 271 B11R1.266 CN(C)C1=CC=CC(CCl)=N1 C75051 [0,1,0,0,0,1|2,0,0]=4 272 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 N11220 [0,1,0,0,0,1|2,0,0]=4 273 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 Y14753 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.45 CC(C)(C)C1=CSC(CO)=N1 C75264 [0,2,0,0,0,0|2,0,0]=4 275 B11R1.48 CCN1N=C(C(C)C)C=C1N W19174 [0,2,0,0,0,0|2,0,0]=4 276 B11R1.175 CC(C)C1=NC(C(=O)O)=CO1 51105 [0,2,0,0,0,0|0,1,1]=4 277 B11R1.175 CC(C)C1=NC(C(=O)O)=CS1 69853 [0,2,0,0,0,0|0,0,1]=3 278 B11R1.79 CC1=C(Br)C=C(C(C)(C)C)S1 W16019 [0,2,0,0,0,0|2,0,0]=4 279 B11R1.646 CC1=CC(Br)=C(C(C)(C)C)S1 W16020 [0,2,0,0,0,0|2,0,0]=4 280 B11R1.672 CC(C)C1=NN(C)C(N)=C1Br W18972 [0,2,0,0,0,0|2,0,0]=4 281 B11R1.672 CC(C)C1=NN(C)C(N)=C1Cl W19480 [0,2,0,0,0,0|2,0,0]=4 282 B9R2.2 C1=CN(C2CC2)N=C1 25668 [1,0,0,1,0,0|2,0,0]=4 283 B9R2.2 C1=CNC(C2CC2)=N1 31955 [1,0,0,1,0,0|1,0,0]=3 284 B11R2.34 BrC1=CN=C(C2CC2)C=C1 82181 [0,0,0,1,0,1|2,0,0]=4 285 B11R2.34 BrC1=CN=C(C2CC2)N=C1 61441 [0,0,0,1,0,1|2,0,0]=4 286 B11R2.34 BrC1=NC=C(C2CC2)C=C1 81857 [0,0,0,1,0,1|2,0,0]=4 287 B11R2.34 BrC1=NC=C(C2CC2)N=C1 81856 [0,0,0,1,0,1|2,0,0]=4 288 B11R2.34 BrC1=NN=C(C2CC2)C=C1 F52113 [0,0,0,1,0,1|2,0,0]=4 289 B11R2.34 ClC1=NC=C(C2CC2)C=C1 81869 [0,0,0,1,0,1|2,0,0]=4 290 B11R2.34 ClC1=NN=C(C2CC2)C=C1 59624 [0,0,0,1,0,1|2,0,0]=4 291 B11R2.34 NC1=CN=C(C2CC2)C=C1 C71516 [0,0,0,1,0,1|2,0,0]=4 292 B11R2.34 NC1=CN=C(C2CC2)N=C1 81898 [0,0,0,1,0,1|2,0,0]=4 293 B11R2.34 NC1=NC=C(C2CC2)C=C1 94373 [0,0,0,1,0,1|2,0,0]=4 294 B11R2.34 OC1=NC=C(C2CC2)C=C1 C71515 [0,0,0,1,0,1|2,0,0]=4 295 B11R2.35 BrC1=NC(C2CC2)=CN=C1 55122 [0,0,0,1,0,1|2,0,0]=4 296 B11R2.35 ClC1=NC(C2CC2)=CC=N1 AT12434 [0,0,0,1,0,1|2,0,0]=4 297 B11R2.35 ClC1=NC(C2CC2)=NC=C1 55124 [0,0,0,1,0,1|2,0,0]=4 298 B11R2.21 OCC1=CN=C(C2CC2)O1 W17875 [0,1,0,1,0,0|2,0,0]=4 299 B11R2.356 CC1=NN(C2CC2)C(N)=C1 C93332 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [1,0,0,0,0,1|2,0,0]=4 301 B9R1.2 CC1=CC=NC(CN)=N1 72797 [1,0,0,0,0,1|2,0,0]=4 302 B9R1.2 CC1=CC=NC(CO)=N1 38635 [1,0,0,0,0,1|2,0,0]=4 303 B9R1.2 CC1=NC=CC(CO)=N1 90609 [1,0,0,0,0,1|2,0,0]=4 304 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [1,0,0,0,0,1|2,0,0]=4 305 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [1,0,0,0,0,1|2,0,0]=4 306 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [1,0,0,0,0,1|1,0,0]=3 307 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [1,0,0,0,0,1|2,0,0]=4 308 B9R1.2 CNC1=NC(C)=CN=C1 74811 [1,0,0,0,0,1|2,0,0]=4 309 B9R1.2 COC1=NC(C)=CC=N1 C72586 [1,0,0,0,0,1|2,0,0]=4 310 B9R1.2 COC1=NC(C)=NC=C1 73836 [1,0,0,0,0,1|2,0,0]=4 311 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C71698 [0,0,0,0,0,2|2,0,0]=4 312 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P18240 [0,0,0,0,0,2|2,0,0]=4 313 B11R1.20 CC(C)OC1=NN=C(Cl)C=C1 AT23121 [0,0,0,0,0,2|2,0,0]=4 314 B11R1.20 CC(C)OC1=NN=C(I)C=C1 C73322 [0,0,0,0,0,2|2,0,0]=4 315 B11R1.20 CC(C)SC1=NC=C(Br)C=C1 F20124 [0,0,0,0,0,2|2,0,0]=4 316 B11R1.20 CC1=CN=C(OC(C)C)C=C1 W12584 [0,0,0,0,0,2|1,0,0]=3