0 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.7 CC(=O)C1=CN=NS1 MC106686 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [0,0,0,0,0,0|1,0,1]=2 5 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [0,0,0,0,0,0|1,0,1]=2 7 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [0,0,0,0,0,0|1,0,1]=2 8 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [0,0,0,0,0,0|1,0,1]=2 9 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [0,0,0,0,0,0|1,0,1]=2 10 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [0,0,0,0,0,0|1,0,1]=2 11 B8R1.7 CC(=O)N1C=CN=C1 MC428372 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.7 CC(C)C1=CC=CO1 MC428131 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.7 CC(C)C1=NC=CN1 CS21624 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.7 CC(N)C1=NC=CS1 MC446644 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.7 CC(O)C1=CN=CS1 MC116219 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.7 CC(O)[C-]1C=CC=C1 MC440406 [0,0,0,0,0,0|1,0,3]=4 17 B8R1.7 CC(O)[C-]1C=CC=C1 MC440409 [0,0,0,0,0,0|1,0,3]=4 18 B8R1.7 N=C(N)C1=NC=CN1 MC102406 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.7 N=C(N)C1=NC=CS1 CS15638 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.7 N=C(N)N1C=CC=N1 CS20721 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.7 NC(=O)C1=COC=N1 CS11829 [0,0,0,0,0,0|2,0,1]=3 22 B8R1.7 NC(=O)C1=NC=CN1 CS15603 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.7 NC(=O)C1=NNC=C1 CS12173 [0,0,0,0,0,0|2,0,1]=3 24 B8R1.7 NC(=O)C1C=CCN1 MC436936 [0,0,0,0,0,0|1,0,2]=3 25 B8R1.7 NC(=O)C1CC=CC1 CS11184 [0,0,0,0,0,0|2,0,2]=4 26 B8R1.7 NC(=S)C1=CN=CS1 MC113938 [0,0,0,0,0,0|3,1,0]=4 27 B8R1.7 NC(=S)C1=CNC=N1 MC111230 [0,0,0,0,0,0|2,1,1]=4 28 B8R1.7 O=C(Cl)C1=NOC=C1 MC106027 [0,0,0,0,0,0|2,0,1]=3 29 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [0,0,0,0,0,0|1,0,0]=1 30 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [0,0,0,0,0,0|2,0,1]=3 36 B8R1.7 O=C(O)C1=CNN=C1 CS19027 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.7 O=C(O)C1=CNN=N1 CS20475 [0,0,0,0,0,0|3,0,1]=4 38 B8R1.7 O=C(O)C1=COC=C1 CS14540 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.7 O=C(O)C1=COC=N1 MC441322 [0,0,0,0,0,0|2,0,1]=3 40 B8R1.7 O=C(O)C1=CON=C1 MC428244 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [0,0,0,0,0,0|2,0,1]=3 43 B8R1.7 O=C(O)C1=CSN=C1 CS22713 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [0,0,0,0,0,0|2,0,0]=2 45 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [0,0,0,0,0,0|2,0,1]=3 46 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [0,0,0,0,0,0|2,0,1]=3 47 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [0,0,0,0,0,0|2,0,1]=3 48 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [0,0,0,0,0,0|2,0,1]=3 49 B8R1.7 O=C(O)C1=NON=C1 CS20479 [0,0,0,0,0,0|3,0,1]=4 50 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [0,0,0,0,0,0|2,0,1]=3 51 B8R1.7 O=C(O)C1C=CCN1 MC436934 [0,0,0,0,0,0|1,0,2]=3 52 B8R1.7 O=C(O)C1C=CCN1 MC436935 [0,0,0,0,0,0|1,0,2]=3 53 B8R1.7 O=[N+]([O-])C1=CC=CN1 CS13256 [0,0,0,0,0,0|2,0,0]=2 54 B8R1.7 O=[N+]([O-])C1=CC=NN1 CS19890 [0,0,0,0,0,0|3,0,0]=3 55 B8R1.7 O=[N+]([O-])C1=CN=CN1 CS22016 [0,0,0,0,0,0|3,0,0]=3 56 B8R1.7 O=[N+]([O-])C1=CNC=C1 CS22386 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.7 O=[N+]([O-])C1=NC=CN1 CS14315 [0,0,0,0,0,0|3,0,0]=3 58 B8R1.7 OB(O)C1=CC=CN1 MC113759 [0,0,0,0,0,0|2,0,1]=3 59 B8R1.7 OB(O)C1=CC=CO1 CS22587 [0,0,0,0,0,0|3,0,1]=4 60 B8R1.7 OB(O)C1=CC=CS1 CS22584 [0,0,0,0,0,0|3,0,1]=4 61 B8R1.7 OB(O)C1=CC=NN1 MC425351 [0,0,0,0,0,0|3,0,1]=4 62 B8R1.7 OB(O)C1=NC=CN1 MC20760 [0,0,0,0,0,0|3,0,1]=4 63 B7R1.1 BrCC1=CC=CS1 MC111260 [1,0,0,0,0,0|2,0,1]=4 64 B7R1.1 Br[Zn]c1cccs1 MC121347 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.1 CCC1=NC=CN1 CS21533 [1,0,0,0,0,0|1,0,1]=3 66 B7R1.1 CCN1C=CC=N1 CS20681 [1,0,0,0,0,0|1,0,2]=4 67 B7R1.1 CNC1=NC=CS1 CS12598 [1,0,0,0,0,0|2,0,1]=4 68 B7R1.1 COC1=CSC=C1 CS22351 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.1 COC1=NC=CS1 CS22597 [1,0,0,0,0,0|2,0,1]=4 70 B7R1.1 CSC1=NC=CO1 CS17723 [1,0,0,0,0,0|2,0,1]=4 71 B7R1.1 ClCC1=CC=CO1 CS13429 [1,0,0,0,0,0|2,0,1]=4 72 B7R1.1 ClCC1=NC=CN1 CS20896 [1,0,0,0,0,0|2,0,1]=4 73 B7R1.1 N#CC1=CC=CS1 CS22701 [1,0,0,0,0,0|2,0,1]=4 74 B7R1.1 NCC1=CC=CN1 CS14874 [1,0,0,0,0,0|1,0,1]=3 75 B7R1.1 NCC1=CC=CO1 MC41689 [1,0,0,0,0,0|2,0,1]=4 76 B7R1.1 NCC1=CC=CS1 CS22783 [1,0,0,0,0,0|2,0,1]=4 77 B7R1.1 O=CC1=CC=CN1 CS17764 [1,0,0,0,0,0|0,0,0]=1 78 B7R1.1 O=CC1=CC=CN1 MC434011 [1,0,0,0,0,0|0,0,0]=1 79 B7R1.1 O=CC1=CC=CO1 MC41686 [1,0,0,0,0,0|1,0,0]=2 80 B7R1.1 O=CC1=CC=CS1 CS16400 [1,0,0,0,0,0|1,0,0]=2 81 B7R1.1 O=CC1=CCCC1 CS12865 [1,0,0,0,0,0|1,0,2]=4 82 B7R1.1 O=CC1=CN=CO1 MC100355 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.1 O=CC1=CN=CS1 CS15582 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.1 O=CC1=CNC=C1 CS20728 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.1 O=CC1=CNC=N1 CS14113 [1,0,0,0,0,0|1,0,1]=3 86 B7R1.1 O=CC1=CNN=C1 CS17644 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.1 O=CC1=CNN=C1 CS18258 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.1 O=CC1=CNN=N1 MC114304 [1,0,0,0,0,0|2,0,1]=4 89 B7R1.1 O=CC1=CSC=C1 CS14553 [1,0,0,0,0,0|2,0,0]=3 90 B7R1.1 O=CC1=CSC=N1 MC33021 [1,0,0,0,0,0|1,0,1]=3 91 B7R1.1 O=CC1=NC=CN1 CS15723 [1,0,0,0,0,0|1,0,0]=2 92 B7R1.1 O=CC1=NNC=C1 CS18284 [1,0,0,0,0,0|1,0,1]=3 93 B7R1.1 OCC1=CC=CO1 MC41687 [1,0,0,0,0,0|1,0,2]=4 94 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [0,1,0,0,0,0|0,0,0]=1 95 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.11 COC(=O)C1=CC=NS1 MC106643 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.11 COC(=O)C1=CCCC1 CS18911 [0,1,0,0,0,0|1,0,2]=4 98 B9R1.11 COC(=O)C1=CNC=C1 CS20729 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.11 COC(=O)C1=CNC=N1 CS18794 [0,1,0,0,0,0|1,0,1]=3 100 B9R1.11 COC(=O)C1=CNN=C1 MC425198 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.11 COC(=O)C1=CNN=N1 CS13476 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.11 COC(=O)C1=NC=CN1 CS15200 [0,1,0,0,0,0|1,0,0]=2 103 B9R1.11 COC(=O)C1=NNC=C1 CS11588 [0,1,0,0,0,0|1,0,1]=3 104 B9R1.11 COC(=O)C1=NNC=N1 CS16131 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.11 COC(=O)C1=NNN=C1 CS17729 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.11 COC(=O)C1C=CCN1 MC436937 [0,1,0,0,0,0|0,0,2]=3 107 B9R1.11 O=C(CBr)C1=NC=CS1 CS21325 [0,1,0,0,0,0|1,0,1]=3 108 B9R1.19 FC(F)(F)C1=CC=CN1 MC428266 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.19 NS(=O)(=O)C1=CC=CS1 CS22596 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 MC20419 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [0,1,0,0,0,0|1,0,0]=2 112 B9R1.35 CC(=O)C1=CC(Br)=NO1 MC431138 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.35 CC(=O)C1=CC(C)=NO1 MC427423 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.35 CC(=O)C1=CC(N)=NN1 MC103419 [0,1,0,0,0,0|1,0,0]=2 117 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [0,1,0,0,0,0|1,0,0]=2 118 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,1,0,0,0,0|1,0,0]=2 119 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [0,1,0,0,0,0|1,0,0]=2 120 B9R1.35 CC(=O)C1=CN=C(Br)S1 CS17877 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.35 CC(=O)C1=CSC(Br)=C1 CS12338 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.35 CC(=O)C1=CSC(N)=N1 CS20386 [0,1,0,0,0,0|1,0,1]=3 123 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [0,1,0,0,0,0|1,0,1]=3 124 B9R1.35 CC(=O)C1=NN(C)C=C1 MC104385 [0,1,0,0,0,0|1,0,1]=3 125 B9R1.35 CC(=O)C1=NOC(C)=C1 CS20434 [0,1,0,0,0,0|1,0,1]=3 126 B9R1.35 CC(F)C1=CC(N)=NN1 MC121161 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.35 CC1=CC(C(=O)O)=NN1 CS10435 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.35 CC1=CC(C(N)=O)=NO1 CS10575 [0,1,0,0,0,0|2,0,1]=4 130 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,1,0,0,0,0|2,0,1]=4 135 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.35 CC1=NC=C(C(=O)O)S1 CS21657 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.35 CC1=NNC(C(=O)O)=N1 MC431349 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.35 CC1=NNC(C(C)C)=C1 MC431144 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.35 CC1=NNC([N+](=O)[O-])=C1 CS13573 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.35 CC1=NOC(C(=O)O)=C1 CS22370 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.35 CC1=NSC(C(=O)O)=C1 MC112963 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.35 CN1C=CC(C(=O)O)=C1 MC441014 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.35 CN1C=CC(C(=O)O)=N1 CS18190 [0,1,0,0,0,0|2,0,1]=4 144 B9R1.35 CN1C=NC(C(=O)O)=C1 CS20746 [0,1,0,0,0,0|2,0,1]=4 145 B9R1.35 CN1C=NC(C(N)=O)=C1 CS12656 [0,1,0,0,0,0|2,0,1]=4 146 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.35 NC(=O)C1=CC=C(Br)N1 MC102124 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.35 NC(=O)C1=CN=C(Br)S1 MC443285 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.35 NC(=O)C1=CSC(N)=N1 CS19529 [0,1,0,0,0,0|2,0,1]=4 151 B9R1.35 NC1=CN=C(C(=O)O)S1 MC104625 [0,1,0,0,0,0|2,0,1]=4 152 B9R1.35 NC1=CN=C(C(=O)O)S1 MC115724 [0,1,0,0,0,0|2,0,1]=4 153 B9R1.35 NC1=NC(C(=O)O)=CN1 CS12779 [0,1,0,0,0,0|2,0,1]=4 154 B9R1.35 NC1=NC(C(=O)O)=CS1 CS22582 [0,1,0,0,0,0|2,0,1]=4 155 B9R1.35 NC1=NC=C(C(=O)O)S1 CS18292 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.35 NC1=NNC([N+](=O)[O-])=C1 MC105424 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 MC443881 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS22700 [0,1,0,0,0,0|1,0,0]=2 160 B9R1.35 O=C(O)C1=CC(Br)=CO1 CS10558 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.35 O=C(O)C1=CC(Br)=CS1 CS22681 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.35 O=C(O)C1=CC(Br)=NO1 CS22178 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.35 O=C(O)C1=CC(O)=NO1 CS13360 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,1,0,0,0,0|1,0,0]=2 165 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.35 O=C(O)C1=CN=C(Br)O1 CS17421 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.35 O=C(O)C1=COC(Br)=N1 CS15537 [0,1,0,0,0,0|2,0,1]=4 171 B9R1.35 O=C(O)C1=CSC(Br)=C1 MC441053 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.35 O=C(O)C1=CSC(Br)=N1 CS15291 [0,1,0,0,0,0|2,0,1]=4 173 B9R1.35 O=C(O)C1=CSC(Cl)=C1 CS10357 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.35 O=C(O)C1=CSC(Cl)=N1 CS21424 [0,1,0,0,0,0|2,0,1]=4 175 B9R1.35 O=C(O)C1=CSC(F)=C1 MC105198 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.35 O=C(O)C1=NC(Br)=CS1 MC431678 [0,1,0,0,0,0|2,0,1]=4 177 B9R1.35 O=C(O)C1=NC=C(Br)S1 MC428239 [0,1,0,0,0,0|2,0,1]=4 178 B9R1.35 O=C(O)C1=NC=C(Cl)S1 MC432453 [0,1,0,0,0,0|2,0,1]=4 179 B9R1.35 O=C(O)C1=NNC(Cl)=C1 CS10316 [0,1,0,0,0,0|2,0,1]=4 180 B9R1.35 O=C(O)c1cc(F)cs1 MC430853 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.35 O=[N+]([O-])C1=CC(Br)=CS1 MC427527 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.35 O=[N+]([O-])C1=CN=C(Cl)N1 CS13367 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.41 CC(=O)C1=C(C)N=CS1 MC442175 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.41 CC(=O)C1=C(C)ON=C1 MC430702 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.41 CC(=O)C1=C(I)C=CS1 MC443438 [0,1,0,0,0,0|1,0,0]=2 186 B9R1.41 CC(=O)C1=CNC=C1C MC442581 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.41 CC(C)C1=NC=CN1C CS20757 [0,1,0,0,0,0|2,0,1]=4 188 B9R1.41 CC1=C(C(=O)O)C=CO1 CS21668 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.41 CC1=C(C(=O)O)C=CS1 CS21702 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.41 CC1=C(C(=O)O)N=CO1 CS10431 [0,1,0,0,0,0|2,0,1]=4 191 B9R1.41 CC1=C(C(=O)O)N=CS1 CS17596 [0,1,0,0,0,0|2,0,1]=4 192 B9R1.41 CC1=C(C(=O)O)NC=C1 MC106666 [0,1,0,0,0,0|1,0,0]=2 193 B9R1.41 CC1=C(C(=O)O)OC=N1 CS18905 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.41 CC1=C(C(=O)O)SC=C1 CS23026 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.41 CC1=C(C(=O)O)SC=N1 CS22753 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.41 CC1=C(C(=O)O)SN=C1 MC106261 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.41 CC1=C([N+](=O)[O-])NN=C1 MC425880 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.41 CC1=CSC=C1C(=O)O CS14827 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.41 CN1C=CN=C1C(=N)N MC113031 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.41 CN1C=CN=C1C(=O)O CS20745 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.41 CN1C=NC=C1C(=O)O CS20748 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.41 CN1C=NC=C1[N+](=O)[O-] CS20767 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.41 CN1N=CC=C1C(=O)O CS17278 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.41 CN1N=NC=C1C(=O)O MC115903 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.41 NC(=O)C1=C(N)NC=N1 CS21952 [0,1,0,0,0,0|2,0,1]=4 206 B9R1.41 NC(=O)C1=C(N)NC=N1 CS21953 [0,1,0,0,0,0|2,0,1]=4 207 B9R1.41 NC(=O)C1=C(N)SC=C1 CS21314 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.41 NC(=O)C1=C(N)SC=N1 MC21008 [0,1,0,0,0,0|2,0,1]=4 209 B9R1.41 NC(=O)C1=CC=CN1N CS20727 [0,1,0,0,0,0|1,0,0]=2 210 B9R1.41 NC(=O)C1=NNC=C1Br CS14484 [0,1,0,0,0,0|2,0,1]=4 211 B9R1.41 NC1=CNN=C1C(=O)O CS15323 [0,1,0,0,0,0|2,0,1]=4 212 B9R1.41 O=C(O)C1=C(Br)C=CS1 CS17286 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.41 O=C(O)C1=C(Br)C=NN1 CS13587 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.41 O=C(O)C1=C(Br)SC=C1 CS21343 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.41 O=C(O)C1=C(Cl)C=CS1 MC20302 [0,1,0,0,0,0|2,0,0]=3 216 B9R1.41 O=C(O)C1=C(Cl)SC=C1 CS12218 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.41 O=C(O)C1=C(F)C=CS1 CS21775 [0,1,0,0,0,0|2,0,0]=3 218 B9R1.41 O=C(O)C1=C(I)C=NN1 CS13410 [0,1,0,0,0,0|2,0,0]=3 219 B9R1.41 O=C(O)C1=C(S)C=CS1 MC116754 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.41 O=C(O)C1=CSC=C1Br MC442191 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.41 O=C(O)C1=NNC=C1Br CS22625 [0,1,0,0,0,0|2,0,1]=4 222 B9R1.41 O=C(O)C1=NNC=C1Cl CS15482 [0,1,0,0,0,0|2,0,1]=4 223 B9R1.41 O=C(O)c1ccsc1F MC430854 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.41 O=[N+]([O-])C1=C(Cl)C=NN1 MC425199 [0,1,0,0,0,0|3,0,0]=4 225 B7R0.4 C=CCNCC(=O)O MC439317 [0,0,1,0,0,0|1,0,2]=4 226 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,0,1,0,0,0|1,0,2]=4 227 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [0,0,1,0,0,0|2,0,0]=3 228 B7R0.5 C=CCC(N)C(=O)O MC439179 [0,0,1,0,0,0|1,0,2]=4 229 B9R2.2 C1=NC=C(C2CC2)N1 MC103603 [0,0,0,1,0,0|2,0,1]=4 230 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [0,0,0,0,0,1|2,0,0]=3 231 B9R1.6 C=C(F)C1=CC=CC=C1 MC102770 [0,0,0,0,0,1|2,0,1]=4 232 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [0,0,0,0,0,1|1,0,0]=2 233 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [0,0,0,0,0,1|0,0,1]=2 234 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [0,0,0,0,0,1|0,0,1]=2 235 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [0,0,0,0,0,1|1,0,0]=2 236 B9R1.6 CC(=O)C1=CN=CN=C1 MC444371 [0,0,0,0,0,1|1,0,1]=3 237 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [0,0,0,0,0,1|1,0,1]=3 238 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [0,0,0,0,0,1|0,0,1]=2 239 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [0,0,0,0,0,1|0,0,1]=2 240 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [0,0,0,0,0,1|0,0,1]=2 241 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [0,0,0,0,0,1|0,0,1]=2 242 B9R1.6 CC(=O)C1C=CCCC1 MC430670 [0,0,0,0,0,1|1,0,2]=4 243 B9R1.6 CC(=O)C1CC=CCC1 MC430669 [0,0,0,0,0,1|1,0,2]=4 244 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [0,0,0,0,0,1|2,0,1]=4 245 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [0,0,0,0,0,1|1,0,2]=4 246 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [0,0,0,0,0,1|2,0,1]=4 247 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [0,0,0,0,0,1|2,0,1]=4 248 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [0,0,0,0,0,1|1,0,2]=4 249 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [0,0,0,0,0,1|1,0,2]=4 250 B9R1.6 CC(N)C1=NC=CC=N1 MC431305 [0,0,0,0,0,1|1,0,2]=4 251 B9R1.6 CC(N)C1=NC=CN=C1 CS12997 [0,0,0,0,0,1|1,0,2]=4 252 B9R1.6 CC(N)C1=NC=NC=C1 MC103926 [0,0,0,0,0,1|1,0,2]=4 253 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [0,0,0,0,0,1|1,0,2]=4 254 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [0,0,0,0,0,1|0,0,3]=4 255 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [0,0,0,0,0,1|0,0,3]=4 256 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [0,0,0,0,0,1|3,0,0]=4 257 B9R1.6 CN(C)C1=CC=NC=C1 CS13386 [0,0,0,0,0,1|3,0,0]=4 258 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [0,0,0,0,0,1|2,0,0]=3 259 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [0,0,0,0,0,1|3,0,0]=4 260 B9R1.6 N=C(N)C1=CN=CC=C1 CS19487 [0,0,0,0,0,1|2,0,1]=4 261 B9R1.6 N=C(N)C1=NC=CC=C1 CS19100 [0,0,0,0,0,1|2,0,1]=4 262 B9R1.6 N=C(N)C1=NC=CC=N1 CS21214 [0,0,0,0,0,1|2,0,1]=4 263 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [0,0,0,0,0,1|2,0,0]=3 264 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [0,0,0,0,0,1|2,0,0]=3 265 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [0,0,0,0,0,1|1,0,1]=3 266 B9R1.6 NC(=O)C1=NC=CN=C1 CS13379 [0,0,0,0,0,1|1,0,1]=3 267 B9R1.6 NC(=O)C1=NC=CN=C1 MC427375 [0,0,0,0,0,1|1,0,1]=3 268 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [0,0,0,0,0,1|2,1,0]=4 269 B9R1.6 NC(=S)C1=CC=CN=N1 CS16975 [0,0,0,0,0,1|1,1,1]=4 270 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [0,0,0,0,0,1|2,0,0]=3 271 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [0,0,0,0,0,1|1,0,1]=3 272 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [0,0,0,0,0,1|2,0,0]=3 273 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [0,0,0,0,0,1|1,0,1]=3 274 B9R1.6 O=C(O)C1=CC=CN=N1 CS19741 [0,0,0,0,0,1|1,0,1]=3 275 B9R1.6 O=C(O)C1=CN=CN=C1 CS17525 [0,0,0,0,0,1|2,0,1]=4 276 B9R1.6 O=C(O)C1=CN=NC=C1 MC41706 [0,0,0,0,0,1|2,0,1]=4 277 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [0,0,0,0,0,1|1,0,1]=3 278 B9R1.6 O=C(O)C1=NC=CC=N1 CS18229 [0,0,0,0,0,1|1,0,1]=3 279 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [0,0,0,0,0,1|1,0,1]=3 280 B9R1.6 O=C(O)C1=NC=NC=C1 CS14129 [0,0,0,0,0,1|1,0,1]=3 281 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 MC41586 [0,0,0,0,0,1|3,0,0]=4 282 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 CS22384 [0,0,0,0,0,1|2,0,1]=4 283 B9R1.13 CC(=O)CN1C=NC=N1 CS13822 [0,0,0,0,0,1|2,0,1]=4 284 B9R1.13 CC(N)CC1=CC=CO1 MC431346 [0,0,0,0,0,1|2,0,1]=4 285 B9R1.13 O=C(O)CC1=CC=CS1 CS23025 [0,0,0,0,0,1|2,0,0]=3 286 B9R1.13 O=C(O)CC1=CN=CN1 CS22764 [0,0,0,0,0,1|2,0,0]=3 287 B9R1.13 O=C(O)CC1=CN=CS1 MC105966 [0,0,0,0,0,1|3,0,0]=4 288 B9R1.13 O=C(O)CC1=CNC=C1 MC106680 [0,0,0,0,0,1|3,0,0]=4 289 B9R1.13 O=C(O)CC1=NC=CN1 MC106507 [0,0,0,0,0,1|2,0,0]=3 290 B6R0.4 C=C\C=C\C(=O)O CS12033 [1,0,1,0,0,0|1,0,0]=3 291 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,1,0,0,0|1,0,1]=4 292 B6R0.3 C=CC(N)C(=O)O MC21080 [1,0,1,0,0,0|1,0,1]=4 293 B6R1.2 BrC1=CC=CS1 CS21414 [2,0,0,0,0,0|2,0,0]=4 294 B6R1.2 BrC1=CC=C[Se]1 MC114898 [2,0,0,0,0,0|2,0,0]=4 295 B6R1.2 BrC1=CC=NN1 CS17757 [2,0,0,0,0,0|2,0,0]=4 296 B6R1.2 BrC1=NC=CN1 CS19858 [2,0,0,0,0,0|2,0,0]=4 297 B6R1.2 CC1=CC=CN1 CS21660 [2,0,0,0,0,0|0,0,0]=2 298 B6R1.2 CC1=CC=CO1 MC41695 [2,0,0,0,0,0|1,0,0]=3 299 B6R1.2 CC1=CC=CS1 CS21701 [2,0,0,0,0,0|1,0,0]=3 300 B6R1.2 CC1=CC=NN1 MC21108 [2,0,0,0,0,0|1,0,0]=3 301 B6R1.2 CC1=CN=CS1 CS10460 [2,0,0,0,0,0|2,0,0]=4 302 B6R1.2 CC1=CNC=C1 MC20689 [2,0,0,0,0,0|2,0,0]=4 303 B6R1.2 CC1=CNC=N1 MC20397 [2,0,0,0,0,0|1,0,1]=4 304 B6R1.2 CC1=COC=N1 MC427478 [2,0,0,0,0,0|1,0,1]=4 305 B6R1.2 CC1=CSC=N1 CS15621 [2,0,0,0,0,0|1,0,1]=4 306 B6R1.2 CC1=NC=CO1 CS11827 [2,0,0,0,0,0|1,0,1]=4 307 B6R1.2 CC1=NC=CS1 CS22598 [2,0,0,0,0,0|1,0,1]=4 308 B6R1.2 CC1=NNC=C1 CS13720 [2,0,0,0,0,0|1,0,1]=4 309 B6R1.2 CC1=NOC=C1 CS11533 [2,0,0,0,0,0|1,0,1]=4 310 B6R1.2 CN1C=CC=C1 CS20770 [2,0,0,0,0,0|2,0,0]=4 311 B6R1.2 CN1C=CC=N1 CS19419 [2,0,0,0,0,0|1,0,1]=4 312 B6R1.2 ClC1=CC=NN1 CS16937 [2,0,0,0,0,0|2,0,0]=4 313 B6R1.2 ClC1=CN=CN1 CS10347 [2,0,0,0,0,0|2,0,0]=4 314 B6R1.2 FC1=CC=NN1 MC104307 [2,0,0,0,0,0|2,0,0]=4 315 B6R1.2 FC1=CN=CN1 MC429981 [2,0,0,0,0,0|2,0,0]=4 316 B6R1.2 FC1=NC=CN1 MC430938 [2,0,0,0,0,0|2,0,0]=4 317 B6R1.2 FC1=NC=CN1 MC431135 [2,0,0,0,0,0|2,0,0]=4 318 B6R1.2 IC1=CC=CS1 CS21616 [2,0,0,0,0,0|2,0,0]=4 319 B6R1.2 IC1=NC=CN1 CS21881 [2,0,0,0,0,0|2,0,0]=4 320 B6R1.2 NC1=NC=CN1 CS13716 [2,0,0,0,0,0|2,0,0]=4 321 B6R1.2 NC1=NC=CN1 CS16946 [2,0,0,0,0,0|2,0,0]=4 322 B6R1.2 O=C1C=CNN1 MC106502 [2,0,0,0,0,0|1,0,0]=3 323 B6R1.2 O=C1C=CON1 MC442265 [2,0,0,0,0,0|1,0,0]=3 324 B6R1.2 O=C1C=CSN1 MC427073 [2,0,0,0,0,0|1,0,0]=3 325 B6R1.2 O=C1CC=NN1 CS20496 [2,0,0,0,0,0|1,0,1]=4 326 B6R1.2 O=C1NC=CN1 MC20853 [2,0,0,0,0,0|1,0,0]=3 327 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [0,1,1,0,0,0|1,0,0]=3 328 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [1,1,0,0,0,0|2,0,0]=4 329 B8R1.1 CC1=CC=C(C#N)N1 CS16878 [1,1,0,0,0,0|1,0,1]=4 330 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [1,1,0,0,0,0|0,0,0]=2 331 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [1,1,0,0,0,0|1,0,0]=3 332 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [1,1,0,0,0,0|1,0,1]=4 333 B8R1.1 CC1=COC(C=O)=C1 MC104341 [1,1,0,0,0,0|1,0,0]=3 334 B8R1.1 CC1=COC(C=O)=N1 MC104070 [1,1,0,0,0,0|1,0,1]=4 335 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [1,1,0,0,0,0|1,0,1]=4 336 B8R1.1 CC1=NC=C(C=O)S1 MC21171 [1,1,0,0,0,0|2,0,0]=4 337 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.1 CN1C=CC(C=O)=N1 CS18204 [1,1,0,0,0,0|1,0,1]=4 339 B8R1.1 N#CC1=CC(Cl)=CN1 MC115459 [1,1,0,0,0,0|1,0,1]=4 340 B8R1.1 NC1=NC=C(C=O)S1 CS21279 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.1 O=CC1=CC(Br)=CN1 CS14432 [1,1,0,0,0,0|0,0,0]=2 342 B8R1.1 O=CC1=CC(Br)=CO1 CS22678 [1,1,0,0,0,0|1,0,0]=3 343 B8R1.1 O=CC1=CC(Br)=CS1 CS22689 [1,1,0,0,0,0|1,0,0]=3 344 B8R1.1 O=CC1=CC(Cl)=CN1 MC104758 [1,1,0,0,0,0|0,0,0]=2 345 B8R1.1 O=CC1=CC(F)=CS1 MC114664 [1,1,0,0,0,0|1,0,0]=3 346 B8R1.1 O=CC1=CC(I)=CS1 CS16582 [1,1,0,0,0,0|1,0,0]=3 347 B8R1.1 O=CC1=CC=C(Br)S1 CS18323 [1,1,0,0,0,0|1,0,0]=3 348 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [1,1,0,0,0,0|1,0,0]=3 349 B8R1.1 O=CC1=CSC(Br)=C1 MC103292 [1,1,0,0,0,0|2,0,0]=4 350 B8R1.1 O=CC1=CSC(Br)=N1 CS15326 [1,1,0,0,0,0|1,0,1]=4 351 B8R1.1 O=CC1=NC(Br)=CS1 CS13190 [1,1,0,0,0,0|1,0,1]=4 352 B8R1.1 O=CC1=NC=C(Br)S1 MC431683 [1,1,0,0,0,0|1,0,1]=4 353 B8R1.1 O=CC1=NC=C(Cl)S1 MC425505 [1,1,0,0,0,0|1,0,1]=4 354 B8R1.1 O=CC1=NC=C(I)S1 MC431752 [1,1,0,0,0,0|1,0,1]=4 355 B8R1.8 CCCC1=NC=CN1 CS14621 [1,1,0,0,0,0|1,0,1]=4 356 B8R1.8 COCC1=NC=CN1 MC104489 [1,1,0,0,0,0|1,0,1]=4 357 B8R1.8 O=CCC1=CC=CS1 CS17423 [1,1,0,0,0,0|1,0,0]=3 358 B8R1.8 OCCC1=CC=CS1 CS14939 [1,1,0,0,0,0|1,0,1]=4 359 B8R1.8 OCCC1=NC=CN1 MC431716 [1,1,0,0,0,0|1,0,1]=4 360 B8R1.11 CN1C=CN=C1C=O CS17882 [1,1,0,0,0,0|1,0,0]=3 361 B8R1.11 CN1N=CC=C1C=O CS18205 [1,1,0,0,0,0|1,0,0]=3 362 B8R1.11 CN1N=CN=C1C=O MC106469 [1,1,0,0,0,0|2,0,0]=4 363 B8R1.11 CN1N=NC=C1C=O MC107582 [1,1,0,0,0,0|2,0,0]=4 364 B8R1.11 NC1=C(C=O)SC=C1 CS14842 [1,1,0,0,0,0|1,0,0]=3 365 B8R1.11 O=CC1=C(Br)C=CN1 MC104759 [1,1,0,0,0,0|0,0,0]=2 366 B8R1.11 O=CC1=C(Br)C=CS1 CS17288 [1,1,0,0,0,0|1,0,0]=3 367 B8R1.11 O=CC1=C(Br)N=CS1 CS15329 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.11 O=CC1=C(Br)SC=C1 MC441008 [1,1,0,0,0,0|2,0,0]=4 369 B8R1.11 O=CC1=C(Cl)C=CN1 MC104757 [1,1,0,0,0,0|0,0,0]=2 370 B8R1.11 O=CC1=C(Cl)N=CS1 CS22797 [1,1,0,0,0,0|2,0,0]=4 371 B8R1.11 O=CC1=C(Cl)SC=C1 MC442673 [1,1,0,0,0,0|2,0,0]=4 372 B8R1.11 O=CC1=C(F)C=CS1 MC429390 [1,1,0,0,0,0|1,0,0]=3 373 B8R1.11 O=CC1=C(I)SC=C1 MC443799 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.11 O=CC1=CSC=C1Br MC441264 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [0,1,0,0,0,1|2,0,0]=4 376 B10R1.13 C=C(C)C1=CN=C(Cl)C=C1 MC107618 [0,1,0,0,0,1|1,0,1]=4 377 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [0,1,0,0,0,1|1,0,0]=3 378 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [0,1,0,0,0,1|0,0,1]=3 379 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [0,1,0,0,0,1|1,0,0]=3 380 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [0,1,0,0,0,1|0,0,1]=3 381 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [0,1,0,0,0,1|1,0,0]=3 382 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [0,1,0,0,0,1|0,0,1]=3 383 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 MC104987 [0,1,0,0,0,1|0,0,1]=3 384 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [0,1,0,0,0,1|1,0,0]=3 385 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [0,1,0,0,0,1|0,0,1]=3 386 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [0,1,0,0,0,1|1,0,0]=3 387 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [0,1,0,0,0,1|1,0,0]=3 388 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [0,1,0,0,0,1|0,0,1]=3 389 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,1,0,0,0,1|0,0,1]=3 390 B10R1.13 CC(=O)C1=CN=C(C)N=C1 MC444074 [0,1,0,0,0,1|1,0,1]=4 391 B10R1.13 CC(=O)C1=CN=C(N)N=C1 CS17494 [0,1,0,0,0,1|1,0,1]=4 392 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [0,1,0,0,0,1|0,0,1]=3 393 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 CS17050 [0,1,0,0,0,1|0,0,1]=3 394 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,1,0,0,0,1|0,0,1]=3 395 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [0,1,0,0,0,1|0,0,1]=3 396 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [0,1,0,0,0,1|0,0,1]=3 397 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 CS14519 [0,1,0,0,0,1|0,0,1]=3 398 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [0,1,0,0,0,1|0,0,1]=3 399 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [0,1,0,0,0,1|0,0,1]=3 400 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [0,1,0,0,0,1|1,0,0]=3 401 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [0,1,0,0,0,1|2,0,0]=4 404 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [0,1,0,0,0,1|1,0,1]=4 405 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [0,1,0,0,0,1|1,0,1]=4 406 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS19370 [0,1,0,0,0,1|1,0,1]=4 407 B10R1.13 CC1=CN=C(C(=O)O)N=C1 CS21764 [0,1,0,0,0,1|1,0,1]=4 408 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [0,1,0,0,0,1|1,0,1]=4 409 B10R1.13 CC1=NC=C(C(N)=O)C=C1 CS18427 [0,1,0,0,0,1|1,0,1]=4 410 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.13 NC(=O)C1=CC=C(N)N=N1 MC444409 [0,1,0,0,0,1|1,0,1]=4 412 B10R1.13 NC(=O)C1=CN=C(N)C=C1 MC425266 [0,1,0,0,0,1|1,0,1]=4 413 B10R1.13 NC(=O)C1=CNC(=O)C=C1 MC427340 [0,1,0,0,0,1|1,0,0]=3 414 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 MC41603 [0,1,0,0,0,1|1,0,1]=4 415 B10R1.13 NC(=O)C1=NC=C(Br)C=N1 CS15436 [0,1,0,0,0,1|1,0,1]=4 416 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 MC33351 [0,1,0,0,0,1|1,0,1]=4 417 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 CS10571 [0,1,0,0,0,1|1,0,1]=4 418 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS16336 [0,1,0,0,0,1|1,0,1]=4 419 B10R1.13 NC(=O)C1=NC=C(N)C=C1 CS10223 [0,1,0,0,0,1|1,0,1]=4 420 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [0,1,0,0,0,1|2,0,0]=4 421 B10R1.13 NC1=CC=C(C(=O)O)N=N1 MC444236 [0,1,0,0,0,1|1,0,1]=4 422 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 CS22580 [0,1,0,0,0,1|2,0,0]=4 423 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [0,1,0,0,0,1|1,0,1]=4 424 B10R1.13 NC1=CN=C(C(=O)O)C=N1 CS14292 [0,1,0,0,0,1|1,0,1]=4 425 B10R1.13 NC1=CN=C(C(=O)O)N=C1 MC115893 [0,1,0,0,0,1|1,0,1]=4 426 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CS19354 [0,1,0,0,0,1|1,0,1]=4 427 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 MC40440 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 MC40474 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 MC433701 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.13 O=C(O)C1=CC=C(Br)N=N1 MC431375 [0,1,0,0,0,1|1,0,1]=4 432 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [0,1,0,0,0,1|2,0,0]=4 433 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 MC444427 [0,1,0,0,0,1|1,0,1]=4 434 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.13 O=C(O)C1=CC=C(O)N=N1 CS17550 [0,1,0,0,0,1|1,0,1]=4 438 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 CS22092 [0,1,0,0,0,1|1,0,1]=4 439 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [0,1,0,0,0,1|1,0,1]=4 440 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CS18891 [0,1,0,0,0,1|1,0,1]=4 441 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [0,1,0,0,0,1|1,0,1]=4 442 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [0,1,0,0,0,1|1,0,1]=4 443 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 CS14223 [0,1,0,0,0,1|1,0,1]=4 444 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 CS12377 [0,1,0,0,0,1|1,0,1]=4 445 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [0,1,0,0,0,1|1,0,1]=4 446 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS14727 [0,1,0,0,0,1|1,0,1]=4 447 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 CS10354 [0,1,0,0,0,1|1,0,1]=4 448 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [0,1,0,0,0,1|1,0,1]=4 449 B10R1.13 O=C(O)C1=NC=C(F)C=N1 MC103707 [0,1,0,0,0,1|1,0,1]=4 450 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [0,1,0,0,0,1|1,0,1]=4 451 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [0,1,0,0,0,1|1,0,1]=4 452 B10R1.13 O=C(O)C1=NC=C(O)C=N1 MC105798 [0,1,0,0,0,1|1,0,1]=4 453 B10R1.13 O=C([O-])C1=CC=C(Br)C=C1 MC40334 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [0,1,0,0,0,1|2,0,0]=4 455 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 MC40351 [0,1,0,0,0,1|2,0,0]=4 456 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [0,1,0,0,0,1|1,0,1]=4 459 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [0,1,0,0,0,1|1,0,0]=3 460 B10R1.15 COC(=O)C1=CC=CN=N1 MC444561 [0,1,0,0,0,1|0,0,1]=3 461 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [0,1,0,0,0,1|1,0,0]=3 462 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [0,1,0,0,0,1|0,0,1]=3 463 B10R1.15 COC(=O)C1=CN=CN=C1 MC444563 [0,1,0,0,0,1|1,0,1]=4 464 B10R1.15 COC(=O)C1=CN=NC=C1 CS13474 [0,1,0,0,0,1|1,0,1]=4 465 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [0,1,0,0,0,1|0,0,1]=3 466 B10R1.15 COC(=O)C1=NC=CC=N1 CS19792 [0,1,0,0,0,1|0,0,1]=3 467 B10R1.15 COC(=O)C1=NC=NC=C1 MC444562 [0,1,0,0,0,1|0,0,1]=3 468 B10R1.15 C\C(=C\Br)C1=CC=NC=C1 MC111870 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [0,1,0,0,0,1|1,0,0]=3 470 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [0,1,0,0,0,1|0,0,1]=3 471 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [0,1,0,0,0,1|2,0,0]=4 472 B10R1.15 NNC(=O)C1=CN=CC=C1 CS19488 [0,1,0,0,0,1|1,0,1]=4 473 B10R1.15 NNC(=O)C1=NC=CN=C1 CS18472 [0,1,0,0,0,1|1,0,1]=4 474 B10R1.15 NNC(=O)c1ccncc1 MC445177 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [0,1,0,0,0,1|1,0,0]=3 476 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [0,1,0,0,0,1|0,0,1]=3 477 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [0,1,0,0,0,1|1,0,0]=3 478 B10R1.15 O=C(CBr)C1=NC=CC=N1 MC115988 [0,1,0,0,0,1|0,0,1]=3 479 B10R1.15 O=C(CBr)C1=NC=NC=C1 MC106959 [0,1,0,0,0,1|0,0,1]=3 480 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [0,1,0,0,0,1|1,0,0]=3 481 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [0,1,0,0,0,1|1,0,0]=3 482 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 MC100403 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.28 CS(=O)(=O)C1=CC=NC=C1 MC33441 [0,1,0,0,0,1|2,0,0]=4 484 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [0,1,0,0,0,1|1,0,0]=3 485 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [0,1,0,0,0,1|1,0,0]=3 486 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [0,1,0,0,0,1|1,0,0]=3 487 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [0,1,0,0,0,1|1,0,0]=3 488 B10R1.61 CC(=O)C1=C(F)C=NC=C1 MC113260 [0,1,0,0,0,1|1,0,0]=3 489 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [0,1,0,0,0,1|1,0,0]=3 490 B10R1.61 CC(=O)C1=C(N)C=NC=C1 MC427146 [0,1,0,0,0,1|1,0,0]=3 491 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [0,1,0,0,0,1|1,0,0]=3 492 B10R1.61 CC(=O)C1=C(O)C=NC=C1 MC427306 [0,1,0,0,0,1|1,0,0]=3 493 B10R1.61 CC(=O)C1=CC=CN=C1Br CS18506 [0,1,0,0,0,1|0,0,1]=3 494 B10R1.61 CC(=O)C1=CC=CN=C1Cl CS18365 [0,1,0,0,0,1|0,0,1]=3 495 B10R1.61 CC(=O)C1=CC=CN=C1O MC427454 [0,1,0,0,0,1|0,0,1]=3 496 B10R1.61 CC(=O)C1=CN=CN=C1C CS17792 [0,1,0,0,0,1|1,0,1]=4 497 B10R1.61 CC(=O)C1=NC=CC=C1Br CS16209 [0,1,0,0,0,1|0,0,1]=3 498 B10R1.61 CC(=O)C1=NC=CC=C1Cl MC425055 [0,1,0,0,0,1|0,0,1]=3 499 B10R1.61 CC(=O)C1=NC=CC=C1F CS16198 [0,1,0,0,0,1|0,0,1]=3 500 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [0,1,0,0,0,1|0,0,1]=3 501 B10R1.61 CC(=O)C1=NC=CN=C1Cl MC444224 [0,1,0,0,0,1|0,0,1]=3 502 B10R1.61 CC(=O)C1=NC=CN=C1N CS15534 [0,1,0,0,0,1|0,0,1]=3 503 B10R1.61 CC(=O)C1=NC=NC=C1Br MC115898 [0,1,0,0,0,1|0,0,1]=3 504 B10R1.61 CC1=C(C(=O)O)C=CC=C1 CS19823 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.61 CC1=C(C(=O)O)C=CC=N1 CS18975 [0,1,0,0,0,1|1,0,1]=4 506 B10R1.61 CC1=C(C(=O)O)C=CN=C1 CS22360 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.61 CC1=C(C(=O)O)N=NC=C1 MC104743 [0,1,0,0,0,1|1,0,1]=4 508 B10R1.61 CC1=C(C(N)=O)C=CC=N1 CS22408 [0,1,0,0,0,1|1,0,1]=4 509 B10R1.61 CC1=C(C(N)=O)C=NC=C1 MC33526 [0,1,0,0,0,1|1,0,1]=4 510 B10R1.61 CC1=CC=CN=C1C(=O)O CS19680 [0,1,0,0,0,1|1,0,1]=4 511 B10R1.61 CC1=CC=NC=C1C(=O)O CS22976 [0,1,0,0,0,1|1,0,1]=4 512 B10R1.61 CC1=CC=NC=C1C(=O)O CS22977 [0,1,0,0,0,1|1,0,1]=4 513 B10R1.61 CC1=NC=CN=C1C(=O)O CS19744 [0,1,0,0,0,1|1,0,1]=4 514 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 CS20174 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 CS12247 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 CS21404 [0,1,0,0,0,1|1,0,1]=4 517 B10R1.61 NC(=O)C1=C(F)C=CC=C1 MC41021 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.61 NC(=O)C1=C(I)C=CC=C1 MC433808 [0,1,0,0,0,1|2,0,0]=4 519 B10R1.61 NC(=O)C1=C(N)C=NC=C1 CS22071 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.61 NC(=O)C1=C(N)N=CC=C1 CS22407 [0,1,0,0,0,1|1,0,1]=4 521 B10R1.61 NC(=O)C1=C(O)C=CC=C1 CS11941 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.61 NC(=O)C1=CC=CN=C1Cl CS19049 [0,1,0,0,0,1|1,0,1]=4 523 B10R1.61 NC(=O)C1=CN=CC=C1Cl CS22796 [0,1,0,0,0,1|1,0,1]=4 524 B10R1.61 NC(=O)C1=NC=CC=C1N CS18340 [0,1,0,0,0,1|1,0,1]=4 525 B10R1.61 NC(=O)C1=NC=CN=C1Cl CS15991 [0,1,0,0,0,1|1,0,1]=4 526 B10R1.61 NC(=O)C1=NC=CN=C1N CS14571 [0,1,0,0,0,1|1,0,1]=4 527 B10R1.61 NC1=C(C(=O)O)C=CC=N1 CS21827 [0,1,0,0,0,1|1,0,1]=4 528 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS17968 [0,1,0,0,0,1|2,0,0]=4 529 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS21908 [0,1,0,0,0,1|2,0,0]=4 530 B10R1.61 NC1=C(C(=O)O)N=NC=C1 MC427245 [0,1,0,0,0,1|1,0,1]=4 531 B10R1.61 NC1=CC=CN=C1C(=O)O CS17409 [0,1,0,0,0,1|1,0,1]=4 532 B10R1.61 NC1=CC=CN=C1C(=O)O CS19360 [0,1,0,0,0,1|1,0,1]=4 533 B10R1.61 NC1=CC=NC=C1C(=O)O CS21982 [0,1,0,0,0,1|1,0,1]=4 534 B10R1.61 NC1=NC=CN=C1C(=O)O CS22108 [0,1,0,0,0,1|1,0,1]=4 535 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 MC40438 [0,1,0,0,0,1|2,0,0]=4 536 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 MC40472 [0,1,0,0,0,1|2,0,0]=4 537 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 CS19188 [0,1,0,0,0,1|2,0,0]=4 538 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 CS16216 [0,1,0,0,0,1|2,0,0]=4 539 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 CS22916 [0,1,0,0,0,1|2,0,0]=4 540 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS22912 [0,1,0,0,0,1|1,0,1]=4 541 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 CS16220 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 CS18848 [0,1,0,0,0,1|1,0,1]=4 543 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS10366 [0,1,0,0,0,1|2,0,0]=4 544 B10R1.61 O=C(O)C1=C(F)C=NC=C1 CS19033 [0,1,0,0,0,1|2,0,0]=4 545 B10R1.61 O=C(O)C1=C(F)N=CC=C1 CS18890 [0,1,0,0,0,1|1,0,1]=4 546 B10R1.61 O=C(O)C1=C(I)C=CC=C1 CS20137 [0,1,0,0,0,1|2,0,0]=4 547 B10R1.61 O=C(O)C1=C(I)N=CC=C1 MC443233 [0,1,0,0,0,1|1,0,1]=4 548 B10R1.61 O=C(O)C1=C(O)C=CC=C1 MC40289 [0,1,0,0,0,1|2,0,0]=4 549 B10R1.61 O=C(O)C1=C(O)C=NC=C1 CS22995 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.61 O=C(O)C1=C(S)C=CC=C1 MC40297 [0,1,0,0,0,1|2,0,0]=4 551 B10R1.61 O=C(O)C1=CC=CNC1=O CS19183 [0,1,0,0,0,1|1,0,0]=3 552 B10R1.61 O=C(O)C1=CN=CC=C1Br MC10387 [0,1,0,0,0,1|1,0,1]=4 553 B10R1.61 O=C(O)C1=CN=CC=C1Cl CS18850 [0,1,0,0,0,1|1,0,1]=4 554 B10R1.61 O=C(O)C1=CN=CC=C1I MC442349 [0,1,0,0,0,1|1,0,1]=4 555 B10R1.61 O=C(O)C1=CN=CC=C1O CS15271 [0,1,0,0,0,1|1,0,1]=4 556 B10R1.61 O=C(O)C1=NC=CC=C1Br CS22914 [0,1,0,0,0,1|1,0,1]=4 557 B10R1.61 O=C(O)C1=NC=CC=C1Cl CS15072 [0,1,0,0,0,1|1,0,1]=4 558 B10R1.61 O=C(O)C1=NC=CC=C1F CS18754 [0,1,0,0,0,1|1,0,1]=4 559 B10R1.61 O=C(O)C1=NC=CC=C1I CS12162 [0,1,0,0,0,1|1,0,1]=4 560 B10R1.61 O=C(O)C1=NC=CC=C1O CS22996 [0,1,0,0,0,1|1,0,1]=4 561 B10R1.61 O=C(O)C1=NC=CN=C1Br CS12631 [0,1,0,0,0,1|1,0,1]=4 562 B10R1.61 O=C(O)C1=NC=CN=C1Cl CS17325 [0,1,0,0,0,1|1,0,1]=4 563 B10R1.61 O=C(O)C1=NC=CN=C1I CS14926 [0,1,0,0,0,1|1,0,1]=4 564 B10R1.61 O=C(O)C1=NC=CN=C1O CS17542 [0,1,0,0,0,1|1,0,1]=4 565 B10R1.61 O=C(O)C1=NC=NC=C1Br CS19718 [0,1,0,0,0,1|1,0,1]=4 566 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 MC40335 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 MC40349 [0,1,0,0,0,1|2,0,0]=4 568 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 CS14839 [0,1,0,0,0,1|1,0,1]=4 569 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 MC113271 [0,1,0,0,0,1|1,0,1]=4 570 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [0,1,0,0,0,1|1,0,0]=3 571 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [0,1,0,0,0,1|0,0,1]=3 572 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [0,1,0,0,0,1|0,0,1]=3 573 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [0,1,0,0,0,1|1,0,0]=3 574 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [0,1,0,0,0,1|1,0,0]=3 575 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [0,1,0,0,0,1|0,0,1]=3 576 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [0,1,0,0,0,1|1,0,0]=3 577 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [0,1,0,0,0,1|0,0,1]=3 578 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [0,1,0,0,0,1|1,0,0]=3 579 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [0,1,0,0,0,1|1,0,0]=3 580 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [0,1,0,0,0,1|1,0,0]=3 581 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [0,1,0,0,0,1|1,0,0]=3 582 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 CS17202 [0,1,0,0,0,1|0,0,1]=3 583 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [0,1,0,0,0,1|0,0,1]=3 584 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [0,1,0,0,0,1|0,0,1]=3 585 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [0,1,0,0,0,1|0,0,1]=3 586 B10R1.113 CC(=O)C1=NC=CC(O)=N1 MC430457 [0,1,0,0,0,1|0,0,1]=3 587 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [0,1,0,0,0,1|1,0,1]=4 588 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [0,1,0,0,0,1|1,0,1]=4 589 B10R1.113 CC1=CC(C(N)=O)=CN=C1 MC33520 [0,1,0,0,0,1|1,0,1]=4 590 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 MC20748 [0,1,0,0,0,1|2,0,0]=4 591 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [0,1,0,0,0,1|2,0,0]=4 592 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [0,1,0,0,0,1|1,0,1]=4 593 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [0,1,0,0,0,1|1,0,1]=4 594 B10R1.113 CC1=NC(C(=O)O)=NC=C1 MC104691 [0,1,0,0,0,1|1,0,1]=4 595 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS19546 [0,1,0,0,0,1|2,0,0]=4 596 B10R1.113 CC1=NC=CC(C(=O)O)=N1 CS19716 [0,1,0,0,0,1|1,0,1]=4 597 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 CS22167 [0,1,0,0,0,1|2,0,0]=4 598 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 CS17785 [0,1,0,0,0,1|2,0,0]=4 599 B10R1.113 NC(=O)C1=CC(N)=CC=C1 MC433795 [0,1,0,0,0,1|2,0,0]=4 600 B10R1.113 NC(=O)C1=CC(N)=CN=C1 CS15231 [0,1,0,0,0,1|1,0,1]=4 601 B10R1.113 NC(=O)C1=CC(N)=NC=C1 MC425286 [0,1,0,0,0,1|2,0,0]=4 602 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 CS19001 [0,1,0,0,0,1|1,0,1]=4 603 B10R1.113 NC(=O)C1=NC(Cl)=NC=C1 MC444184 [0,1,0,0,0,1|1,0,1]=4 604 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 MC427450 [0,1,0,0,0,1|1,0,1]=4 605 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 MC20489 [0,1,0,0,0,1|1,0,1]=4 606 B10R1.113 NC(=O)C1=NC=CC(N)=C1 MC116216 [0,1,0,0,0,1|1,0,1]=4 607 B10R1.113 NC(=O)C1=NC=C[N+]([O-])=C1 MC427506 [0,1,0,0,0,1|1,0,1]=4 608 B10R1.113 NC1=CC(C(=O)O)=CN=C1 CS22022 [0,1,0,0,0,1|1,0,1]=4 609 B10R1.113 NC1=CC(C(=O)O)=NC=C1 CS15431 [0,1,0,0,0,1|1,0,1]=4 610 B10R1.113 NC1=CC(C(=O)O)=NC=N1 MC425236 [0,1,0,0,0,1|1,0,1]=4 611 B10R1.113 NC1=CC=CC(C(=O)O)=C1 CS13396 [0,1,0,0,0,1|2,0,0]=4 612 B10R1.113 NC1=CC=CC(C(=O)O)=N1 CS19355 [0,1,0,0,0,1|1,0,1]=4 613 B10R1.113 NC1=CN=CC(C(=O)O)=N1 CS12628 [0,1,0,0,0,1|1,0,1]=4 614 B10R1.113 NC1=NC=CC(C(=O)O)=C1 CS23021 [0,1,0,0,0,1|2,0,0]=4 615 B10R1.113 NC1=NC=CC(C(=O)O)=N1 MC10396 [0,1,0,0,0,1|1,0,1]=4 616 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 MC40439 [0,1,0,0,0,1|2,0,0]=4 617 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 MC40449 [0,1,0,0,0,1|2,0,0]=4 618 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 MC40473 [0,1,0,0,0,1|2,0,0]=4 619 B10R1.113 O=C(Cl)C1=NC=CC(O)=C1 MC106015 [0,1,0,0,0,1|1,0,1]=4 620 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 CS15122 [0,1,0,0,0,1|2,0,0]=4 621 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 MC20488 [0,1,0,0,0,1|2,0,0]=4 622 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [0,1,0,0,0,1|2,0,0]=4 623 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 CS18845 [0,1,0,0,0,1|2,0,0]=4 624 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS10368 [0,1,0,0,0,1|2,0,0]=4 625 B10R1.113 O=C(O)C1=CC(F)=NC=C1 CS18886 [0,1,0,0,0,1|2,0,0]=4 626 B10R1.113 O=C(O)C1=CC(I)=CC=C1 CS10375 [0,1,0,0,0,1|2,0,0]=4 627 B10R1.113 O=C(O)C1=CC(O)=CC=C1 CS19800 [0,1,0,0,0,1|2,0,0]=4 628 B10R1.113 O=C(O)C1=CC(S)=CC=C1 MC20304 [0,1,0,0,0,1|2,0,0]=4 629 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 CS22040 [0,1,0,0,0,1|1,0,1]=4 630 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 CS18852 [0,1,0,0,0,1|1,0,1]=4 631 B10R1.113 O=C(O)C1=CN=CC(F)=C1 CS22934 [0,1,0,0,0,1|1,0,1]=4 632 B10R1.113 O=C(O)C1=CN=CC(O)=C1 CS22067 [0,1,0,0,0,1|1,0,1]=4 633 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 CS22087 [0,1,0,0,0,1|1,0,1]=4 634 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 MC441120 [0,1,0,0,0,1|1,0,1]=4 635 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 MC443368 [0,1,0,0,0,1|1,0,1]=4 636 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 CS21854 [0,1,0,0,0,1|1,0,1]=4 637 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 CS12423 [0,1,0,0,0,1|1,0,1]=4 638 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 CS17265 [0,1,0,0,0,1|1,0,1]=4 639 B10R1.113 O=C(O)C1=NC(F)=CC=C1 CS14295 [0,1,0,0,0,1|1,0,1]=4 640 B10R1.113 O=C(O)C1=NC(O)=CC=C1 CS22114 [0,1,0,0,0,1|1,0,1]=4 641 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 CS14122 [0,1,0,0,0,1|1,0,1]=4 642 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 CS14963 [0,1,0,0,0,1|1,0,1]=4 643 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CS17501 [0,1,0,0,0,1|1,0,1]=4 644 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS17506 [0,1,0,0,0,1|1,0,1]=4 645 B10R1.113 O=C(O)C1=NC=CC(O)=C1 CS22894 [0,1,0,0,0,1|1,0,1]=4 646 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 MC444429 [0,1,0,0,0,1|1,0,1]=4 647 B10R1.113 O=C(O)C1=NC=NC(O)=C1 CS17537 [0,1,0,0,0,1|1,0,1]=4 648 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 MC40336 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.113 O=C([O-])C1=CC(F)=CC=C1 MC40350 [0,1,0,0,0,1|2,0,0]=4 650 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 MC430296 [0,1,0,0,0,1|1,0,1]=4 651 B10R1.113 O=C1C=NC=C(C(=O)O)N1 CS17150 [0,1,0,0,0,1|1,0,0]=3 652 B10R1.113 O=C1N=CC=C(C(=O)O)N1 CS12225 [0,1,0,0,0,1|1,0,0]=3 653 B10R1.23 NC(C(=O)O)C1=CC=CS1 MC103430 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.27 COC(=O)CC1=CNC=N1 MC431278 [0,1,0,0,0,1|1,0,1]=4 655 B10R1.54 CC(=O)NC1=CC=C(Br)S1 CS11706 [0,1,0,0,0,1|1,0,0]=3 656 B10R1.54 CC(=O)NC1=NC(Br)=CS1 MC442186 [0,1,0,0,0,1|1,0,1]=4 657 B10R1.54 CC(=O)NC1=NC(Cl)=CS1 MC110684 [0,1,0,0,0,1|1,0,1]=4 658 B10R1.54 CC(=O)NC1=NC=C(Br)S1 CS18448 [0,1,0,0,0,1|1,0,1]=4 659 B10R1.64 CN1C=CC=C1CC(=O)O MC20727 [0,1,0,0,0,1|1,0,0]=3 660 B10R1.11 CCOC(=O)C1=CC=CN1 CS10538 [0,2,0,0,0,0|0,0,0]=2 661 B10R1.11 CCOC(=O)C1=CC=CO1 MC10319 [0,2,0,0,0,0|1,0,0]=3 662 B10R1.11 CCOC(=O)C1=CC=CS1 CS14077 [0,2,0,0,0,0|1,0,0]=3 663 B10R1.11 CCOC(=O)C1=CN=CO1 CS17742 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.11 CCOC(=O)C1=CN=CS1 CS11320 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.11 CCOC(=O)C1=CNC=C1 MC115913 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.11 CCOC(=O)C1=CNC=N1 CS18895 [0,2,0,0,0,0|1,0,1]=4 667 B10R1.11 CCOC(=O)C1=COC=N1 CS18179 [0,2,0,0,0,0|1,0,1]=4 668 B10R1.11 CCOC(=O)C1=CSC=C1 CS10526 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.11 CCOC(=O)C1=NC=CN1 CS18245 [0,2,0,0,0,0|1,0,0]=3 670 B10R1.11 CCOC(=O)C1=NNC=C1 CS20723 [0,2,0,0,0,0|1,0,1]=4 671 B10R1.14 CC1=NOC(C(=O)CBr)=C1 CS11313 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.14 CCC(=O)C1=CC=C(C)O1 MC41697 [0,2,0,0,0,0|1,0,0]=3 673 B10R1.14 COC(=O)C1=CC(Br)=CN1 CS16309 [0,2,0,0,0,0|0,0,0]=2 674 B10R1.14 COC(=O)C1=CC(Br)=CO1 CS11686 [0,2,0,0,0,0|1,0,0]=3 675 B10R1.14 COC(=O)C1=CC(Br)=CS1 CS11641 [0,2,0,0,0,0|1,0,0]=3 676 B10R1.14 COC(=O)C1=CC(F)=CN1 CS15647 [0,2,0,0,0,0|0,0,0]=2 677 B10R1.14 COC(=O)C1=CC(O)=NO1 CS11625 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.14 COC(=O)C1=CC=C(Br)N1 CS13213 [0,2,0,0,0,0|0,0,0]=2 679 B10R1.14 COC(=O)C1=CC=C(Br)O1 CS19025 [0,2,0,0,0,0|1,0,0]=3 680 B10R1.14 COC(=O)C1=CC=C(Br)S1 CS10309 [0,2,0,0,0,0|1,0,0]=3 681 B10R1.14 COC(=O)C1=CC=C(Cl)O1 MC41693 [0,2,0,0,0,0|1,0,0]=3 682 B10R1.14 COC(=O)C1=CC=C(Cl)S1 CS17193 [0,2,0,0,0,0|1,0,0]=3 683 B10R1.14 COC(=O)C1=CN(C)C=N1 CS20747 [0,2,0,0,0,0|1,0,1]=4 684 B10R1.14 COC(=O)C1=CN=C(Br)S1 CS17469 [0,2,0,0,0,0|2,0,0]=4 685 B10R1.14 COC(=O)C1=CN=C(Cl)S1 CS15219 [0,2,0,0,0,0|2,0,0]=4 686 B10R1.14 COC(=O)C1=CN=C(N)S1 CS17987 [0,2,0,0,0,0|2,0,0]=4 687 B10R1.14 COC(=O)C1=CNC(Br)=C1 MC428134 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.14 COC(=O)C1=COC(C)=N1 CS19368 [0,2,0,0,0,0|1,0,1]=4 689 B10R1.14 COC(=O)C1=COC(Cl)=N1 CS12427 [0,2,0,0,0,0|1,0,1]=4 690 B10R1.14 COC(=O)C1=COC(I)=N1 CS17605 [0,2,0,0,0,0|1,0,1]=4 691 B10R1.14 COC(=O)C1=CSC(Br)=C1 MC441052 [0,2,0,0,0,0|2,0,0]=4 692 B10R1.14 COC(=O)C1=CSC(Br)=N1 CS17463 [0,2,0,0,0,0|1,0,1]=4 693 B10R1.14 COC(=O)C1=CSC(N)=N1 CS22767 [0,2,0,0,0,0|1,0,1]=4 694 B10R1.14 COC(=O)C1=NC(Br)=CS1 MC121155 [0,2,0,0,0,0|1,0,1]=4 695 B10R1.14 COC(=O)C1=NC(C)=CS1 CS11649 [0,2,0,0,0,0|1,0,1]=4 696 B10R1.14 COC(=O)C1=NC=C(C)S1 MC20969 [0,2,0,0,0,0|1,0,1]=4 697 B10R1.14 COC(=O)C1=NC=C(N)S1 MC104624 [0,2,0,0,0,0|1,0,1]=4 698 B10R1.14 COC(=O)C1=NN=C(Br)N1 CS14811 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.14 COC(=O)C1=NNC(Br)=C1 CS16329 [0,2,0,0,0,0|1,0,1]=4 700 B10R1.14 COC(=O)C1=NNC(I)=C1 MC105672 [0,2,0,0,0,0|1,0,1]=4 701 B10R1.14 COC(=O)C1=NNC(O)=C1 MC106662 [0,2,0,0,0,0|1,0,1]=4 702 B10R1.14 COC(=O)C1=NOC(C)=C1 MC33072 [0,2,0,0,0,0|1,0,1]=4 703 B10R1.149 CN1C=CC=C1C(O)CN MC107741 [0,2,0,0,0,0|0,0,2]=4 704 B10R1.149 COC(=O)C1=C(Br)C=CS1 CS19022 [0,2,0,0,0,0|1,0,0]=3 705 B10R1.149 COC(=O)C1=C(Br)SC=C1 CS14695 [0,2,0,0,0,0|2,0,0]=4 706 B10R1.149 COC(=O)C1=C(Br)SC=N1 CS12091 [0,2,0,0,0,0|1,0,1]=4 707 B10R1.149 COC(=O)C1=C(C)C=CS1 MC20532 [0,2,0,0,0,0|1,0,0]=3 708 B10R1.149 COC(=O)C1=C(C)N=CS1 CS10100 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.149 COC(=O)C1=C(C)OC=N1 CS12233 [0,2,0,0,0,0|1,0,1]=4 710 B10R1.149 COC(=O)C1=C(C)SC=C1 CS12807 [0,2,0,0,0,0|2,0,0]=4 711 B10R1.149 COC(=O)C1=C(Cl)C=CN1 MC102125 [0,2,0,0,0,0|0,0,0]=2 712 B10R1.149 COC(=O)C1=C(F)C=CS1 MC430932 [0,2,0,0,0,0|1,0,0]=3 713 B10R1.149 COC(=O)C1=C(I)C=CS1 MC431931 [0,2,0,0,0,0|1,0,0]=3 714 B10R1.149 COC(=O)C1=C(N)C=CO1 CS12425 [0,2,0,0,0,0|1,0,0]=3 715 B10R1.149 COC(=O)C1=C(N)C=CS1 CS18173 [0,2,0,0,0,0|1,0,0]=3 716 B10R1.149 COC(=O)C1=C(N)C=NN1 CS13630 [0,2,0,0,0,0|1,0,0]=3 717 B10R1.149 COC(=O)C1=C(N)NC=N1 CS15748 [0,2,0,0,0,0|1,0,1]=4 718 B10R1.149 COC(=O)C1=C(N)SC=C1 CS19504 [0,2,0,0,0,0|2,0,0]=4 719 B10R1.149 COC(=O)C1=C(O)C=CN1 MC106838 [0,2,0,0,0,0|0,0,0]=2 720 B10R1.149 COC(=O)C1=CC=CN1N CS15888 [0,2,0,0,0,0|0,0,0]=2 721 B10R1.149 COC(=O)C1=CC=NN1C CS16991 [0,2,0,0,0,0|1,0,0]=3 722 B10R1.149 COC(=O)C1=CSC=C1Br CS16469 [0,2,0,0,0,0|2,0,0]=4 723 B10R1.149 COC(=O)C1=NNC=C1Br CS12841 [0,2,0,0,0,0|1,0,1]=4 724 B10R1.149 COC(=O)C1=NNC=C1Cl CS13632 [0,2,0,0,0,0|1,0,1]=4 725 B10R1.149 COC(=O)C1=NNC=C1N MC443702 [0,2,0,0,0,0|1,0,1]=4 726 B10R1.149 NCC(=O)C1=C(N)NC=N1 MC104751 [0,2,0,0,0,0|1,0,1]=4 727 B10R1.55 CS(=O)(=O)C1=CC=C(Br)S1 MC113893 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.31 N#CC1=CC=C(C(=O)O)O1 MC114976 [0,2,0,0,0,0|2,0,0]=4 729 B10R1.31 N#CC1=CC=C(C(=O)O)S1 CS14026 [0,2,0,0,0,0|2,0,0]=4 730 B10R1.31 O=C(O)C1=CC(CO)=NN1 MC432486 [0,2,0,0,0,0|2,0,0]=4 731 B10R1.31 O=C(O)C1=CC=C(CO)O1 CS19449 [0,2,0,0,0,0|2,0,0]=4 732 B10R1.31 O=CC1=CC=C(C(=O)O)S1 MC41685 [0,2,0,0,0,0|2,0,0]=4 733 B10R1.31 O=Cc1ccc(C(=O)O)o1 CS18919 [0,2,0,0,0,0|2,0,0]=4 734 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 CS16987 [0,2,0,0,0,0|1,0,0]=3 735 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 CS15301 [0,2,0,0,0,0|2,0,0]=4 736 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 CS21776 [0,2,0,0,0,0|2,0,0]=4 737 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 CS17233 [0,2,0,0,0,0|2,0,0]=4 738 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)S1 CS22495 [0,2,0,0,0,0|2,0,0]=4 739 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 MC442176 [0,2,0,0,0,0|2,0,0]=4 740 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 MC442179 [0,2,0,0,0,0|2,0,0]=4 741 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 CS20462 [0,2,0,0,0,0|2,0,0]=4 742 B10R1.59 CC(=O)C1=CC(C)=NN1C CS16943 [0,2,0,0,0,0|1,0,0]=3 743 B10R1.59 CC1=C(C(=O)O)NC(Br)=N1 MC105968 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 MC442190 [0,2,0,0,0,0|2,0,0]=4 745 B10R1.59 CN1N=C(Br)C=C1C(=O)O MC106333 [0,2,0,0,0,0|2,0,0]=4 746 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 MC430778 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.194 CC(=O)C1=CNC(Br)=C1C MC442582 [0,2,0,0,0,0|2,0,0]=4 748 B10R1.194 CC1=C(C(=O)O)NN=C1Br CS17381 [0,2,0,0,0,0|2,0,0]=4 749 B10R1.194 CC1=C(C(=O)O)SC=C1Br MC21121 [0,2,0,0,0,0|2,0,0]=4 750 B10R1.194 CC1=CNC(C(=O)O)=C1C CS16854 [0,2,0,0,0,0|1,0,0]=3 751 B10R1.194 CC1=CSC(C(=O)O)=C1N CS22070 [0,2,0,0,0,0|2,0,0]=4 752 B10R1.194 CC1=NNC(C(=O)O)=C1C CS13567 [0,2,0,0,0,0|2,0,0]=4 753 B10R1.194 CC1=NNC(C(=O)O)=C1O MC106331 [0,2,0,0,0,0|2,0,0]=4 754 B10R1.194 CN1C(Br)=CC=C1C(=O)O CS12581 [0,2,0,0,0,0|1,0,0]=3 755 B10R1.194 NC1=NNC(C(=O)O)=C1Cl CS15067 [0,2,0,0,0,0|2,0,0]=4 756 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 MC104432 [0,2,0,0,0,0|1,0,0]=3 757 B10R1.39 CCN1C=NC=C1C(=O)O CS16966 [0,2,0,0,0,0|2,0,0]=4 758 B10R1.192 CN1N=CC(I)=C1C(=O)O CS13419 [0,2,0,0,0,0|2,0,0]=4 759 B8R1.4 CC1=CC(Cl)=CC=C1 MC41511 [0,0,1,1,0,0|2,0,0]=4 760 B8R1.4 CC1=CC(N)=NC=C1 CS15630 [0,0,1,1,0,0|2,0,0]=4 761 B8R1.4 CC1=CC=CC(=O)N1 CS19499 [0,0,1,1,0,0|2,0,0]=4 762 B8R1.4 CC1=CC=CC(Br)=C1 CS19957 [0,0,1,1,0,0|2,0,0]=4 763 B8R1.4 CC1=CC=CC(Br)=N1 CS21841 [0,0,1,1,0,0|2,0,0]=4 764 B8R1.4 CC1=CC=CC(C)=C1 MC41550 [0,0,1,1,0,0|2,0,0]=4 765 B8R1.4 CC1=CC=CC(C)=N1 CS18597 [0,0,1,1,0,0|2,0,0]=4 766 B8R1.4 CC1=CC=CC(Cl)=N1 CS23010 [0,0,1,1,0,0|2,0,0]=4 767 B8R1.4 CC1=CC=CC(F)=C1 CS19910 [0,0,1,1,0,0|2,0,0]=4 768 B8R1.4 CC1=CC=CC(F)=N1 CS19330 [0,0,1,1,0,0|2,0,0]=4 769 B8R1.4 CC1=CC=CC(I)=C1 CS19968 [0,0,1,1,0,0|2,0,0]=4 770 B8R1.4 CC1=CC=CC(I)=N1 MC443163 [0,0,1,1,0,0|2,0,0]=4 771 B8R1.4 CC1=CC=CC(N)=C1 CS11698 [0,0,1,1,0,0|1,0,0]=3 772 B8R1.4 CC1=CC=CC(N)=N1 CS18078 [0,0,1,1,0,0|1,0,0]=3 773 B8R1.4 CC1=CC=CC(O)=C1 MC41203 [0,0,1,1,0,0|2,0,0]=4 774 B8R1.4 CC1=CC=CC(S)=C1 MC41411 [0,0,1,1,0,0|2,0,0]=4 775 B8R1.4 CC1=CN=CC(N)=C1 CS14172 [0,0,1,1,0,0|2,0,0]=4 776 B8R1.4 CC1=CN=CC(N)=N1 CS21294 [0,0,1,1,0,0|2,0,0]=4 777 B8R1.4 CC1=NC=CC(N)=C1 CS19520 [0,0,1,1,0,0|2,0,0]=4 778 B8R1.4 CC1=NC=CC(N)=N1 CS13322 [0,0,1,1,0,0|2,0,0]=4 779 B8R1.4 NC1=CC(Br)=CC=C1 CS19169 [0,0,1,1,0,0|1,0,1]=4 780 B8R1.4 NC1=CC(Cl)=CC=C1 CS22234 [0,0,1,1,0,0|1,0,1]=4 781 B8R1.4 NC1=CC(F)=CC=C1 CS19913 [0,0,1,1,0,0|1,0,1]=4 782 B8R1.4 NC1=CC(I)=CC=C1 CS19215 [0,0,1,1,0,0|1,0,1]=4 783 B8R1.4 NC1=CC=CC(=O)N1 CS22760 [0,0,1,1,0,0|1,0,0]=3 784 B8R1.4 NC1=CC=CC(N)=C1 MC40944 [0,0,1,1,0,0|1,0,1]=4 785 B8R1.4 NC1=CC=CC(N)=N1 CS13686 [0,0,1,1,0,0|2,0,0]=4 786 B8R1.4 NC1=CC=CC(O)=C1 MC41145 [0,0,1,1,0,0|0,0,2]=4 787 B8R1.4 NC1=CC=NC(=O)N1 MC114510 [0,0,1,1,0,0|2,0,0]=4 788 B8R1.4 NC1=NC(=O)NC=C1 CS22211 [0,0,1,1,0,0|2,0,0]=4 789 B8R1.4 NC1=NC(Br)=CC=C1 CS17641 [0,0,1,1,0,0|2,0,0]=4 790 B8R1.4 NC1=NC(Cl)=CC=C1 CS17675 [0,0,1,1,0,0|2,0,0]=4 791 B8R1.4 NC1=NC(F)=CC=C1 CS17727 [0,0,1,1,0,0|2,0,0]=4 792 B8R1.4 NC1=NC=CC(=O)N1 MC426017 [0,0,1,1,0,0|2,0,0]=4 793 B8R1.4 O=C1C=CC=C(Cl)N1 CS10672 [0,0,1,1,0,0|2,0,0]=4 794 B8R1.5 CC1=C(Br)C=CC=C1 MC20187 [0,0,1,1,0,0|2,0,0]=4 795 B8R1.5 CC1=C(Cl)C=CC=C1 CS20009 [0,0,1,1,0,0|2,0,0]=4 796 B8R1.5 CC1=C(F)C=CC=C1 MC41519 [0,0,1,1,0,0|2,0,0]=4 797 B8R1.5 CC1=C(I)C=CC=C1 CS19198 [0,0,1,1,0,0|2,0,0]=4 798 B8R1.5 CC1=C(N)C=CN=C1 CS19521 [0,0,1,1,0,0|2,0,0]=4 799 B8R1.5 CC1=C(N)C=NC=C1 CS21907 [0,0,1,1,0,0|2,0,0]=4 800 B8R1.5 CC1=CC=CC=C1C MC41549 [0,0,1,1,0,0|2,0,0]=4 801 B8R1.5 CC1=CC=CC=C1N CS20592 [0,0,1,1,0,0|1,0,0]=3 802 B8R1.5 CC1=CC=CC=C1O CS11813 [0,0,1,1,0,0|2,0,0]=4 803 B8R1.5 CC1=CC=CN=C1C CS21050 [0,0,1,1,0,0|2,0,0]=4 804 B8R1.5 CC1=CC=CN=C1N CS13775 [0,0,1,1,0,0|2,0,0]=4 805 B8R1.5 CC1=NC=CC=C1Br MC20012 [0,0,1,1,0,0|2,0,0]=4 806 B8R1.5 CC1=NC=CC=C1Cl MC425470 [0,0,1,1,0,0|2,0,0]=4 807 B8R1.5 CC1=NC=CC=C1F CS19850 [0,0,1,1,0,0|2,0,0]=4 808 B8R1.5 CC1=NC=CC=C1N CS19518 [0,0,1,1,0,0|1,0,0]=3 809 B8R1.5 CC1=NC=CC=C1O MC20374 [0,0,1,1,0,0|2,0,0]=4 810 B8R1.5 CC1=NC=CN=C1N CS21232 [0,0,1,1,0,0|2,0,0]=4 811 B8R1.5 CC1=NC=NC=C1N CS19908 [0,0,1,1,0,0|2,0,0]=4 812 B8R1.5 NC1=C(Br)C=CC=C1 CS19197 [0,0,1,1,0,0|1,0,1]=4 813 B8R1.5 NC1=C(Cl)C=CC=C1 CS19766 [0,0,1,1,0,0|1,0,1]=4 814 B8R1.5 NC1=C(F)C=CC=C1 MC40915 [0,0,1,1,0,0|1,0,1]=4 815 B8R1.5 NC1=C(I)C=CC=C1 CS23020 [0,0,1,1,0,0|1,0,1]=4 816 B8R1.5 NC1=C(O)C=CC=C1 CS21309 [0,0,1,1,0,0|0,0,2]=4 817 B8R1.5 NC1=C(S)C=CC=C1 MC41400 [0,0,1,1,0,0|0,1,1]=4 818 B8R1.5 NC1=CC=CC=C1N CS11822 [0,0,1,1,0,0|1,0,1]=4 819 B8R1.5 NC1=CC=CN=C1Br CS22729 [0,0,1,1,0,0|2,0,0]=4 820 B8R1.5 NC1=CC=CN=C1Cl CS17686 [0,0,1,1,0,0|2,0,0]=4 821 B8R1.5 NC1=CC=CN=C1F CS22742 [0,0,1,1,0,0|2,0,0]=4 822 B8R1.5 NC1=CC=CN=C1I CS18159 [0,0,1,1,0,0|2,0,0]=4 823 B8R1.5 NC1=CC=CN=C1N CS21785 [0,0,1,1,0,0|2,0,0]=4 824 B8R1.5 NC1=CC=CNC1=O CS15503 [0,0,1,1,0,0|1,0,0]=3 825 B8R1.5 NC1=CC=CNC1=S CS20821 [0,0,1,1,0,0|1,1,0]=4 826 B8R1.5 NC1=CC=NNC1=O CS15772 [0,0,1,1,0,0|2,0,0]=4 827 B8R1.5 O=C1NC=CC=C1Cl CS13621 [0,0,1,1,0,0|2,0,0]=4 828 B8R1.5 O=C1NC=CC=C1F CS13754 [0,0,1,1,0,0|2,0,0]=4 829 B8R1.5 O=C1NC=CC=C1I CS16075 [0,0,1,1,0,0|2,0,0]=4 830 B8R1.5 O=C1NC=CC=C1O CS22752 [0,0,1,1,0,0|2,0,0]=4 831 B8R1.5 O=C1OC=CC=C1O CS22311 [0,0,1,1,0,0|2,0,0]=4 832 B10R2.32 O=C1CCC2=C1SC=C2 MC429082 [0,1,0,1,0,0|1,0,0]=3 833 B8R1.2 CCC1=CC=CC=C1 MC41556 [1,0,0,0,0,1|1,0,1]=4 834 B8R1.2 CCC1=CC=CN=C1 CS22277 [1,0,0,0,0,1|0,0,2]=4 835 B8R1.2 CCC1=NC=CN=C1 CS21534 [1,0,0,0,0,1|0,0,2]=4 836 B8R1.2 CNC1=CC=CC=C1 CS11792 [1,0,0,0,0,1|2,0,0]=4 837 B8R1.2 CNC1=CC=CN=C1 CS13856 [1,0,0,0,0,1|1,0,1]=4 838 B8R1.2 CNC1=CC=NC=C1 MC41620 [1,0,0,0,0,1|2,0,0]=4 839 B8R1.2 COC1=CC=CC=C1 MC41309 [1,0,0,0,0,1|2,0,0]=4 840 B8R1.2 COC1=CC=CN=C1 CS22348 [1,0,0,0,0,1|1,0,1]=4 841 B8R1.2 COC1=CC=CN=N1 CS22347 [1,0,0,0,0,1|1,0,1]=4 842 B8R1.2 COC1=CC=NC=C1 CS19206 [1,0,0,0,0,1|2,0,0]=4 843 B8R1.2 COC1=NC=CC=C1 CS18780 [1,0,0,0,0,1|1,0,1]=4 844 B8R1.2 COC1=NC=CN=C1 CS17887 [1,0,0,0,0,1|1,0,1]=4 845 B8R1.2 CSC1=CC=CC=C1 MC439137 [1,0,0,0,0,1|2,0,0]=4 846 B8R1.2 CSC1=NC=CC=C1 MC41628 [1,0,0,0,0,1|1,0,1]=4 847 B8R1.2 O=CC1=CC=CN=N1 MC121079 [1,0,0,0,0,1|0,0,1]=3 848 B8R1.2 O=CC1=CN=CC=C1 CS19090 [1,0,0,0,0,1|0,0,1]=3 849 B8R1.2 O=CC1=CN=CN=C1 CS19643 [1,0,0,0,0,1|1,0,1]=4 850 B8R1.2 O=CC1=CN=NC=C1 MC444362 [1,0,0,0,0,1|1,0,1]=4 851 B8R1.2 O=CC1=NC=CC=C1 CS18610 [1,0,0,0,0,1|0,0,1]=3 852 B8R1.2 O=CC1=NC=CC=N1 MC444571 [1,0,0,0,0,1|0,0,1]=3 853 B8R1.2 O=CC1=NC=CN=C1 CS18375 [1,0,0,0,0,1|0,0,1]=3 854 B8R1.2 O=NC1=CC=CC=C1 MC33163 [1,0,0,0,0,1|2,0,0]=4 855 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [0,0,0,0,0,2|0,0,1]=3 856 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [0,0,0,0,0,2|1,0,0]=3 857 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [0,0,0,0,0,2|0,0,1]=3 858 B10R1.18 CC(=O)CC1=NC=CC=N1 MC429990 [0,0,0,0,0,2|0,0,1]=3 859 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [0,0,0,0,0,2|1,0,0]=3 860 B10R1.18 NC(=O)CC1=NC=CC=N1 CS17323 [0,0,0,0,0,2|1,0,1]=4 861 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [0,0,0,0,0,2|2,0,0]=4 862 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [0,0,0,0,0,2|2,0,0]=4 863 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [0,0,0,0,0,2|2,0,0]=4 864 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [0,0,0,0,0,2|1,0,1]=4 865 B10R1.18 O=C(O)CC1=CC=CN=N1 MC103920 [0,0,0,0,0,2|1,0,1]=4 866 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [0,0,0,0,0,2|2,0,0]=4 867 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [0,0,0,0,0,2|2,0,0]=4 868 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [0,0,0,0,0,2|1,0,1]=4 869 B10R1.18 O=C(O)CC1=NC=CC=N1 MC102381 [0,0,0,0,0,2|1,0,1]=4 870 B10R1.18 O=C(O)CC1=NC=NC=C1 MC113226 [0,0,0,0,0,2|1,0,1]=4 871 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [0,0,0,0,0,2|2,0,0]=4 872 B10R1.66 O=C(O)CCC1=CC=CN1 CS21786 [0,0,0,0,0,2|1,0,0]=3 873 B10R1.66 O=C(O)CCC1=CC=CO1 MC41688 [0,0,0,0,0,2|2,0,0]=4 874 B10R1.66 O=C(O)\C=C\C1=CC=CO1 MC41690 [0,0,0,0,0,2|2,0,0]=4