0 B7R1.2 BrC1=CN=C(I)N1 P17529 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.2 BrC1=CN=C(I)S1 89501 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.2 BrC1=CNC(Br)=N1 C16160 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 BrC1=CSC(I)=C1 F10349 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.2 BrC1=NC=C(I)S1 F16091 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.2 CC1=CC(Br)=CO1 I11460 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.2 CC1=CC(N)=CS1 27442 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 CC1=CC(N)=NS1 A51223 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.2 CC1=CC=C(S)S1 AT16550 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.2 CC1=CN=C(C)O1 AC5679 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.2 CC1=CN=C(Cl)O1 AT18559 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 CC1=CN=C(N)N1 27977 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.2 CC1=COC(Br)=N1 AT18461 [0,0,0,0,0,0|2,0,1]=3 13 B7R1.2 CC1=COC(Cl)=N1 A51023 [0,0,0,0,0,0|2,0,1]=3 14 B7R1.2 CC1=CSC(N)=C1 N12877 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.2 CC1=CSC(N)=C1 S11464 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.2 CC1=CSC(S)=C1 AT16548 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.2 CC1=NC(Br)=NN1 98648 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.2 CC1=NC(Cl)=NN1 AT12255 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.2 CC1=NC(N)=CS1 AC2762 [0,0,0,0,0,0|2,0,1]=3 20 B7R1.2 CC1=NC=C(Br)O1 AT18670 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.2 CC1=NC=C(Cl)S1 AT15021 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.2 CC1=NC=C(N)S1 D85841 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.2 CC1=NN=C(Cl)O1 AT18769 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.2 CC1=NN=C(I)O1 AT18781 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.2 CC1=NN=C(I)S1 AT18990 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.2 CC1=NSC(I)=C1 W12926 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.2 CC1=NSC(I)=N1 E72754 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.2 CC1=NSC(N)=C1 C77679 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [0,0,0,0,0,0|1,0,3]=4 30 B7R1.2 CN1C=C(F)C=N1 D79458 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.2 CN1C=CC(N)=C1 77871 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.2 CN1C=C[N+](C)=C1 91466 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.2 CN1C=NC(=O)N1 AT21263 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.2 CN1C=NC(Cl)=N1 AT12342 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.2 CN1C=NC(N)=C1 F13269 [0,0,0,0,0,0|4,0,0]=4 36 B7R1.2 CN1C=NC(N)=N1 AT12103 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.2 CN1N=CC(N)=N1 F13454 [0,0,0,0,0,0|3,0,1]=4 38 B7R1.2 C[C@H]1CN=C(N)N1 AT25109 [0,0,0,0,0,0|2,0,2]=4 39 B7R1.2 C[C@H]1COC(=O)N1 C77658 [0,0,0,0,0,0|2,0,2]=4 40 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [0,0,0,0,0,0|2,0,2]=4 41 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [0,0,0,0,0,0|2,0,2]=4 42 B7R1.2 ClC1=CC=C(I)S1 C74472 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.2 ClC1=CSC(Br)=C1 AT16371 [0,0,0,0,0,0|4,0,0]=4 44 B7R1.2 FC1=NC(Br)=CS1 AT14873 [0,0,0,0,0,0|3,0,1]=4 45 B7R1.2 IC1=COC(I)=N1 D76854 [0,0,0,0,0,0|3,0,1]=4 46 B7R1.2 NC1=CC=C(Cl)S1 D87671 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.2 NC1=CN=C(N)S1 C90580 [0,0,0,0,0,0|4,0,0]=4 48 B7R1.2 NC1=CSC(Br)=N1 70972 [0,0,0,0,0,0|3,0,1]=4 49 B7R1.2 NC1=CSC(Cl)=C1 38492 [0,0,0,0,0,0|4,0,0]=4 50 B7R1.2 NC1=CSC(Cl)=C1 P13129 [0,0,0,0,0,0|4,0,0]=4 51 B7R1.2 NC1=NN=C(Cl)N1 AT12443 [0,0,0,0,0,0|4,0,0]=4 52 B7R1.2 O=C1C=C[C@@H](O)C1 86326 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.2 O=C1CCC(=S)N1 N13285 [0,0,0,0,0,0|2,0,2]=4 54 B7R1.2 O=C1NC(=S)CS1 D74680 [0,0,0,0,0,0|3,0,1]=4 55 B7R1.2 O=C1NC(O)=CS1 D73417 [0,0,0,0,0,0|3,0,0]=3 56 B7R1.2 OC1=NN=C(Cl)N1 AT21277 [0,0,0,0,0,0|4,0,0]=4 57 B7R1.2 S=C1CCC(=S)N1 N13284 [0,0,0,0,0,0|2,0,2]=4 58 B7R1.2 SC1=NC=C(Cl)S1 AT15027 [0,0,0,0,0,0|4,0,0]=4 59 B7R1.2 [2H]C1=CC=C([2H])S1 D99575 [0,0,0,0,0,0|3,0,0]=3 60 B6R1.2 BrC1=CC=NS1 AT21099 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 CC1=CN=CO1 C77581 [1,0,0,0,0,0|2,0,0]=3 62 B6R1.2 CC1=NC=CO1 O10838 [1,0,0,0,0,0|1,0,1]=3 63 B6R1.2 CC1=NSC=C1 AC6637 [1,0,0,0,0,0|1,0,1]=3 64 B6R1.2 ClC1=NC=CO1 F20650 [1,0,0,0,0,0|2,0,1]=4 65 B6R1.2 ClC1=NC=NN1 O11392 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 ClC1=NN=CN1 O10979 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 ClC1=NSC=C1 F19768 [1,0,0,0,0,0|2,0,1]=4 68 B6R1.2 NC1=CC=CS1 44128 [1,0,0,0,0,0|2,0,0]=3 69 B6R1.2 NC1=CC=CS1 F10359 [1,0,0,0,0,0|2,0,0]=3 70 B6R1.2 NC1=CC=NS1 W16800 [1,0,0,0,0,0|3,0,0]=4 71 B6R1.2 NC1=CNC=N1 P20245 [1,0,0,0,0,0|2,0,1]=4 72 B6R1.2 SC1=NC=CO1 AT18533 [1,0,0,0,0,0|2,0,1]=4 73 B6R1.2 [2H]N1C=CC=C1 D98995 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.1 BrCC1=CC=C(Br)O1 55253 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.1 BrCC1=CC=C(Br)S1 AC9027 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.1 BrCC1=CSC(Br)=C1 AT16378 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.1 BrCC1=CSC(Br)=N1 AT14625 [0,1,0,0,0,0|2,0,1]=4 78 B8R1.1 BrCC1=NC(Br)=CS1 82078 [0,1,0,0,0,0|2,0,1]=4 79 B8R1.1 BrCC1=NC=C(Br)S1 AT14726 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.1 C#CC1=CC=C(Cl)S1 C14710 [0,1,0,0,0,0|2,0,1]=4 81 B8R1.1 C#CC1=NC(C)=CS1 C74016 [0,1,0,0,0,0|1,0,2]=4 82 B8R1.1 CC1=CC(CCl)=NN1 AT15945 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.1 CC1=CC(CN)=CO1 AT17525 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.1 CC1=CC(CO)=CO1 AT17479 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.1 CC1=CC(CO)=CS1 AT16765 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.1 CC1=CC(CO)=NN1 O10131 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.1 CC1=CC(CO)=NS1 AT21126 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.1 CC1=CN=C(C=O)O1 AT17128 [0,1,0,0,0,0|2,0,1]=4 89 B8R1.1 CC1=CN=C(CCl)O1 AT18576 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.1 CC1=CN=C(CN)O1 P18975 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.1 CC1=CN=C(CN)S1 32702 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.1 CC1=CN=C(CO)N1 P12877 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.1 CC1=CN=C(CO)O1 AT18512 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.1 CC1=COC(C#N)=C1 AT17407 [0,1,0,0,0,0|2,0,1]=4 95 B8R1.1 CC1=COC(CO)=C1 AT17124 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.1 CC1=NC(C#N)=CO1 AT18597 [0,1,0,0,0,0|1,0,2]=4 97 B8R1.1 CC1=NC(CCl)=CN1 AT15569 [0,1,0,0,0,0|1,0,1]=3 98 B8R1.1 CC1=NC(CN)=CN1 AT15472 [0,1,0,0,0,0|1,0,1]=3 99 B8R1.1 CC1=NC(CN)=CO1 C71257 [0,1,0,0,0,0|1,0,1]=3 100 B8R1.1 CC1=NC(CN)=CO1 D83900 [0,1,0,0,0,0|1,0,1]=3 101 B8R1.1 CC1=NC(CN)=CS1 D86402 [0,1,0,0,0,0|1,0,1]=3 102 B8R1.1 CC1=NC=C(CCl)O1 C77476 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.1 CC1=NC=C(CCl)S1 AT15077 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.1 CC1=NC=C(CO)N1 W10507 [0,1,0,0,0,0|1,0,0]=2 105 B8R1.1 CC1=NC=C(CO)O1 F12980 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.1 CC1=NN=C(CBr)O1 AT18780 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.1 CC1=NN=C(CN)S1 AT18920 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.1 CC1=NNC(CCl)=N1 AT12311 [0,1,0,0,0,0|2,0,1]=4 109 B8R1.1 CC1=NNC(CN)=C1 AC1083 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.1 CC1=NNC(CO)=N1 AT12312 [0,1,0,0,0,0|2,0,1]=4 111 B8R1.1 CC1=NOC(CN)=C1 A10590 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.1 CC1=NSC(CN)=C1 AT21220 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.1 CCC1=CC=C(S)S1 AT16555 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.1 CCC1=CN=C(Br)S1 56511 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.1 CCC1=CN=C(S)S1 E72343 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.1 CCC1=CSC(Br)=N1 32166 [0,1,0,0,0,0|2,0,1]=4 117 B8R1.1 CCC1=NC(Br)=CN1 AT15316 [0,1,0,0,0,0|2,0,1]=4 118 B8R1.1 CCC1=NN(C)C=C1 C91459 [0,1,0,0,0,0|1,0,1]=3 119 B8R1.1 CCC1=NN=C(Br)N1 AT12502 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.1 CCC1=NN=C(Cl)N1 AT12315 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.1 CCC1=NN=C(N)N1 AT12223 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.1 CCN1C=CC(Br)=N1 AT15804 [0,1,0,0,0,0|2,0,1]=4 123 B8R1.1 CCN1C=CC(Cl)=N1 E72194 [0,1,0,0,0,0|2,0,1]=4 124 B8R1.1 CCN1C=CC(O)=N1 AT14005 [0,1,0,0,0,0|2,0,1]=4 125 B8R1.1 CN1C=C(CBr)C=N1 P19158 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.1 CN1C=CC(CBr)=N1 AT15924 [0,1,0,0,0,0|1,0,1]=3 127 B8R1.1 CN1C=CC(CCl)=N1 AT15950 [0,1,0,0,0,0|1,0,1]=3 128 B8R1.1 CN1C=CC(CN)=C1 AT16243 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.1 CN1C=NC(CBr)=C1 O11081 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.1 CN1C=NC(CN)=N1 P12179 [0,1,0,0,0,0|2,0,1]=4 131 B8R1.1 CN1N=CC(CBr)=N1 95943 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.1 CN1N=CC(CO)=N1 95942 [0,1,0,0,0,0|2,0,1]=4 133 B8R1.1 CNC1=NC=C(Br)S1 AT14732 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.1 CNC1=NN(C)C=C1 AT14076 [0,1,0,0,0,0|1,0,1]=3 135 B8R1.1 CNC1=NNC(C)=C1 57298 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.1 CNC1=NOC(C)=C1 AT19802 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.1 COC1=CC=C(Br)S1 N10622 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.1 COC1=CN(C)N=C1 C91427 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.1 COC1=CSC(Br)=N1 AT14677 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.1 COC1=NN(C)C=C1 AT24917 [0,1,0,0,0,0|1,0,1]=3 141 B8R1.1 COC1=NNC(C)=C1 E71889 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.1 CSC1=NNC(=O)N1 AT21280 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.1 ClC1=CC(CBr)=CS1 AT16579 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.1 ClC1=CC=C(CBr)S1 AT16577 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.1 ClC1=NC(CBr)=CS1 AT15272 [0,1,0,0,0,0|2,0,1]=4 146 B8R1.1 ClC1=NC=C(CI)S1 AC9205 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.1 ClCC1=CC(Br)=CS1 F30091 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.1 ClCC1=CC=C(Br)S1 AT16373 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.1 ClCC1=CSC(Br)=C1 AT16374 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.1 ClCC1=NC(Cl)=CS1 AT15212 [0,1,0,0,0,0|2,0,1]=4 151 B8R1.1 ClCC1=NC=C(Br)S1 AT14714 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.1 ClCC1=NC=C(Cl)S1 AT15029 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.1 N#CC1=CC=C(Cl)O1 AT17409 [0,1,0,0,0,0|2,0,1]=4 154 B8R1.1 NC1=NC(CCl)=CS1 37206 [0,1,0,0,0,0|2,0,1]=4 155 B8R1.1 NCC1=CC(Br)=CN1 AT16225 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.1 NCC1=CC(Cl)=CO1 50492 [0,1,0,0,0,0|3,0,0]=4 157 B8R1.1 NCC1=CC=C(Br)O1 79914 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.1 NCC1=CC=C(Br)O1 94512 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.1 NCC1=CC=C(Cl)S1 P19111 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.1 NCC1=CSC(Br)=C1 AT16376 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.1 NCC1=CSC(Br)=N1 AT14626 [0,1,0,0,0,0|2,0,1]=4 162 B8R1.1 NCC1=CSC(Cl)=N1 AT14764 [0,1,0,0,0,0|2,0,1]=4 163 B8R1.1 NCC1=NC(Cl)=CS1 AT15205 [0,1,0,0,0,0|2,0,1]=4 164 B8R1.1 NCC1=NC=C(Br)S1 P12853 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.1 NCC1=NC=C(Cl)S1 P11510 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.1 NCC1=NNC(=O)N1 AT10971 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.1 O=C1C=C[C@H](CO)O1 A51108 [0,1,0,0,0,0|2,0,1]=4 168 B8R1.1 OCC1=CC(Cl)=CS1 37631 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.1 OCC1=COC(Cl)=N1 P10563 [0,1,0,0,0,0|2,0,1]=4 170 B8R1.1 OCC1=CSC(Br)=C1 AT16369 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.1 OCC1=CSC(F)=N1 AT14869 [0,1,0,0,0,0|2,0,1]=4 172 B8R1.1 OCC1=NC=C(Br)N1 P17528 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.18 CC1=C(C)OC(=O)N1 AT18454 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.18 CC1=C(C)OC(Br)=N1 AT18457 [0,1,0,0,0,0|2,0,1]=4 175 B8R1.18 CC1=C(C)OC(S)=N1 AT18536 [0,1,0,0,0,0|2,0,1]=4 176 B8R1.18 CC1=C(C)SC(Br)=C1 95200 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.18 CC1=C(Cl)N=C(Cl)S1 O10590 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.18 CC1=CC(=O)NN1C AT14000 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.18 CC1=CC(C)=C(S)S1 AT16553 [0,1,0,0,0,0|2,0,0]=3 180 B8R1.18 CC1=CC(I)=C(C)S1 CS2241 [0,1,0,0,0,0|1,0,0]=2 181 B8R1.18 CC1=CN(C)C(Br)=N1 71593 [0,1,0,0,0,0|2,0,1]=4 182 B8R1.18 CC1=NN(C)C(Br)=N1 AT12326 [0,1,0,0,0,0|2,0,1]=4 183 B8R1.18 CC1=NN(C)C(Cl)=N1 AT12325 [0,1,0,0,0,0|2,0,1]=4 184 B8R1.18 CC1=NN(C)C(I)=C1 71879 [0,1,0,0,0,0|1,0,1]=3 185 B8R1.18 CC1=NN(C)C(N)=N1 AT12327 [0,1,0,0,0,0|2,0,1]=4 186 B8R1.18 CC1=NN(C)C=C1N CL3439 [0,1,0,0,0,0|1,0,1]=3 187 B8R1.18 CN1C=C(Br)C(O)=N1 AT14036 [0,1,0,0,0,0|2,0,1]=4 188 B8R1.18 CN1C=C(Cl)C(N)=N1 AT14074 [0,1,0,0,0,0|2,0,1]=4 189 B8R1.18 CN1C=C(I)C(O)=N1 AT14039 [0,1,0,0,0,0|2,0,1]=4 190 B8R1.18 CN1C=C(N)C(Br)=N1 AT13631 [0,1,0,0,0,0|2,0,1]=4 191 B8R1.18 CN1N=C(Cl)C=C1N P14551 [0,1,0,0,0,0|2,0,1]=4 192 B8R1.18 CN1N=C(I)C=C1F P15024 [0,1,0,0,0,0|2,0,1]=4 193 B8R1.18 CN1N=C(N)C=C1N F17296 [0,1,0,0,0,0|2,0,1]=4 194 B8R1.18 CN1NC(=O)NC1=O AT21268 [0,1,0,0,0,0|3,0,0]=4 195 B8R1.18 C[C@@H]1NC(=O)NC1=O A12693 [0,1,0,0,0,0|2,0,1]=4 196 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21041 [0,1,0,0,0,0|2,0,1]=4 197 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21044 [0,1,0,0,0,0|2,0,1]=4 198 B8R1.18 C[C@@H]1NC(=S)NC1=O W17250 [0,1,0,0,0,0|2,0,1]=4 199 B8R1.50 CC1=CC=C(C)N1N AT25958 [0,1,0,0,0,0|0,0,0]=1 200 B8R1.50 CC1=NN=C(Br)N1C AT21290 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.50 CC1=NOC(C)=C1Cl D76793 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.50 CN1C(Cl)=CN=C1Br AT15556 [0,1,0,0,0,0|3,0,0]=4 203 B6R0.1 C=C[C@@H](C)CCC T72328 [0,0,1,0,0,0|1,0,2]=4 204 B6R0.4 C=C\C=C/C(=O)O C74528 [0,0,1,0,0,0|2,0,1]=4 205 B6R0.4 C=C\C=C\C(=O)O 35918 [0,0,1,0,0,0|2,0,1]=4 206 B6R1.5 CC1CC(C)N1 P20516 [0,0,0,0,1,0|0,0,3]=4 207 B6R1.5 C[C@H]1CC(=O)N1 D72859 [0,0,0,0,1,0|1,0,2]=4 208 B6R1.5 C[C@H]1C[C@@H](C)N1 D79633 [0,0,0,0,1,0|0,0,3]=4 209 B8R1.3 BrC1=NN=C(I)C=C1 AT17784 [0,0,0,0,0,1|2,0,1]=4 210 B8R1.3 CC1=CN=C(C)N=C1 C15366 [0,0,0,0,0,1|1,0,1]=3 211 B8R1.3 CC1=CN=C(Cl)N=C1 F13414 [0,0,0,0,0,1|2,0,1]=4 212 B8R1.3 CC1=CN=C(I)N=C1 90174 [0,0,0,0,0,1|2,0,1]=4 213 B8R1.3 CC1=CN=C(O)N=C1 W10551 [0,0,0,0,0,1|2,0,1]=4 214 B8R1.3 CC1=NC=C(I)C=N1 82252 [0,0,0,0,0,1|2,0,1]=4 215 B8R1.3 NC1=CC=C(N)N=N1 D78632 [0,0,0,0,0,1|2,0,1]=4 216 B8R1.3 NC1=CN=C(S)C=C1 AT20609 [0,0,0,0,0,1|2,0,1]=4 217 B8R1.3 NC1=NNC(=O)C=C1 AT17777 [0,0,0,0,0,1|2,0,0]=3 218 B8R1.3 O=C1C=CC(=O)N=N1 83325 [0,0,0,0,0,1|2,0,1]=4 219 B8R1.3 O=C1C=CC(F)=NN1 AT24740 [0,0,0,0,0,1|2,0,0]=3 220 B8R1.3 S=C1N=CC(Cl)=CN1 O11414 [0,0,0,0,0,1|3,0,0]=4 221 B8R1.3 [2H]C1=CC=C(Cl)C=C1 D98354 [0,0,0,0,0,1|3,0,0]=4 222 B8R1.3 [2H]C1=CC=C([2H])C=C1 D99669 [0,0,0,0,0,1|3,0,0]=4 223 B8R1.4 BrC1=CC(I)=NC=C1 A10666 [0,0,0,0,0,1|3,0,0]=4 224 B8R1.4 CC1=CC(I)=NC=C1 D87895 [0,0,0,0,0,1|2,0,0]=3 225 B8R1.4 CC1=CC=NC(I)=N1 N13215 [0,0,0,0,0,1|1,0,1]=3 226 B8R1.4 CC1=NC(N)=CN=N1 D86296 [0,0,0,0,0,1|2,0,1]=4 227 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [0,0,0,0,0,1|2,0,1]=4 228 B8R1.4 ClC1=CC=NC(Br)=N1 81850 [0,0,0,0,0,1|2,0,1]=4 229 B8R1.4 FC1=NC=CC(Br)=N1 AT18301 [0,0,0,0,0,1|2,0,1]=4 230 B8R1.4 NC1=CC=CC(=S)N1 C15708 [0,0,0,0,0,1|2,0,0]=3 231 B8R1.4 O=C1C=CNC(=O)O1 C15625 [0,0,0,0,0,1|3,0,0]=4 232 B8R1.4 OC1=CC(I)=CN=C1 D74429 [0,0,0,0,0,1|3,0,0]=4 233 B8R1.4 SC1=CC(Br)=CN=C1 P12662 [0,0,0,0,0,1|3,0,0]=4 234 B8R1.4 [2H]C1=CC=CC([2H])=C1 D99674 [0,0,0,0,0,1|3,0,0]=4 235 B8R1.4 [2H]C1=CC=CC([2H])=N1 D98925 [0,0,0,0,0,1|2,0,1]=4 236 B5R0.1 C=C(C)CCC D91296 [1,0,1,0,0,0|1,0,1]=4 237 B5R0.1 C=CCC(=C)C T72918 [1,0,1,0,0,0|1,0,0]=3 238 B5R0.1 C=CC[C@H](C)N AT12969 [1,0,1,0,0,0|0,0,2]=4 239 B5R0.1 CONC(C)=O AT24901 [1,0,1,0,0,0|2,0,0]=4 240 B5R0.1 C\C=C/C(C)C T72834 [1,0,1,0,0,0|1,0,1]=4 241 B5R0.2 C\C=C\CCN AT22492 [1,0,1,0,0,0|0,0,2]=4 242 B5R1.1 C1=CNC=N1 AT25065 [2,0,0,0,0,0|1,0,0]=3 243 B5R1.1 C1=CNC=N1 T71525 [2,0,0,0,0,0|1,0,0]=3 244 B5R1.1 C1=CNC=N1 T72823 [2,0,0,0,0,0|1,0,0]=3 245 B7R0.2 C=CC(=O)C=C(C)C F12626 [0,1,1,0,0,0|2,0,0]=4 246 B7R0.4 C=C(C)CC\C=C\C T72820 [0,1,1,0,0,0|1,0,1]=4 247 B7R1.1 BrCC1=CN=CS1 70967 [1,1,0,0,0,0|2,0,0]=4 248 B7R1.1 BrCC1=CNC=N1 AT15560 [1,1,0,0,0,0|1,0,1]=4 249 B7R1.1 BrCC1=COC=N1 F13651 [1,1,0,0,0,0|1,0,1]=4 250 B7R1.1 BrCC1=CSC=N1 70966 [1,1,0,0,0,0|1,0,1]=4 251 B7R1.1 CCC1=CN=CO1 C77473 [1,1,0,0,0,0|2,0,0]=4 252 B7R1.1 CCC1=COC=N1 C77618 [1,1,0,0,0,0|1,0,1]=4 253 B7R1.1 CCC1=NN=CN1 AT12320 [1,1,0,0,0,0|2,0,0]=4 254 B7R1.1 CNC1=NC=CS1 H11141 [1,1,0,0,0,0|1,0,1]=4 255 B7R1.1 COC1=NSC=C1 AT11777 [1,1,0,0,0,0|1,0,1]=4 256 B7R1.1 ClCC1=CN=CS1 F13827 [1,1,0,0,0,0|2,0,0]=4 257 B7R1.1 ClCC1=CNC=N1 70851 [1,1,0,0,0,0|1,0,1]=4 258 B7R1.1 ClCC1=COC=N1 C16353 [1,1,0,0,0,0|1,0,1]=4 259 B7R1.1 ClCC1=CSC=C1 AT17055 [1,1,0,0,0,0|2,0,0]=4 260 B7R1.1 ClCC1=NC=CN1 35198 [1,1,0,0,0,0|1,0,0]=3 261 B7R1.1 ClCC1=NC=CS1 AC6679 [1,1,0,0,0,0|1,0,1]=4 262 B7R1.1 ClCN1C=CC=N1 79341 [1,1,0,0,0,0|1,0,1]=4 263 B7R1.1 NCC1=CC=NN1 P10323 [1,1,0,0,0,0|1,0,0]=3 264 B7R1.1 NCC1=CC=NS1 AT13366 [1,1,0,0,0,0|2,0,0]=4 265 B7R1.1 NCC1=CNC=N1 C90275 [1,1,0,0,0,0|1,0,1]=4 266 B7R1.1 NCC1=COC=C1 61502 [1,1,0,0,0,0|2,0,0]=4 267 B7R1.1 NCC1=COC=N1 73632 [1,1,0,0,0,0|1,0,1]=4 268 B7R1.1 NCC1=NC=NN1 S10770 [1,1,0,0,0,0|2,0,0]=4 269 B7R1.1 NCC1=NSC=C1 P10783 [1,1,0,0,0,0|1,0,1]=4 270 B7R1.1 NNC1=CC=CS1 W17128 [1,1,0,0,0,0|2,0,0]=4 271 B7R1.1 NNC1=NC=CN1 25904 [1,1,0,0,0,0|2,0,0]=4 272 B7R1.1 OCC1=CC=CN1 AT16114 [1,1,0,0,0,0|0,0,0]=2 273 B7R1.1 OCC1=CC=NN1 H11417 [1,1,0,0,0,0|1,0,0]=3 274 B7R1.1 OCC1=NC=CN1 D72609 [1,1,0,0,0,0|1,0,0]=3 275 B7R1.1 SCC1=CC=CS1 T72725 [1,1,0,0,0,0|1,0,0]=3 276 B7R1.4 BrC1=C(I)C=CS1 AT16380 [1,1,0,0,0,0|2,0,0]=4 277 B7R1.4 CC1=C(Br)C=NN1 O11185 [1,1,0,0,0,0|1,0,0]=3 278 B7R1.4 CC1=C(Br)OC=C1 F53471 [1,1,0,0,0,0|2,0,0]=4 279 B7R1.4 CC1=C(I)NN=C1 72687 [1,1,0,0,0,0|2,0,0]=4 280 B7R1.4 CC1=C(N)C=NO1 AT19805 [1,1,0,0,0,0|2,0,0]=4 281 B7R1.4 CC1=C(N)N=CN1 C15418 [1,1,0,0,0,0|1,0,0]=3 282 B7R1.4 CC1=C(N)NN=C1 P11216 [1,1,0,0,0,0|2,0,0]=4 283 B7R1.4 CC1=C(S)C=CS1 A10974 [1,1,0,0,0,0|1,0,0]=3 284 B7R1.4 CC1=NNC=C1Cl AT10929 [1,1,0,0,0,0|1,0,1]=4 285 B7R1.4 CC1=NOC=C1N AT19806 [1,1,0,0,0,0|1,0,1]=4 286 B7R1.4 CN1N=CC=C1Cl AT15843 [1,1,0,0,0,0|1,0,1]=4 287 B7R1.4 ClC1=C(Br)N=CN1 AT15551 [1,1,0,0,0,0|2,0,0]=4 288 B7R1.4 NC1=C(Br)C=CS1 C16366 [1,1,0,0,0,0|2,0,0]=4 289 B7R1.4 NC1=C(Cl)SC=C1 AT16569 [1,1,0,0,0,0|2,0,0]=4 290 B7R1.4 NC1=C(F)C=NN1 D96709 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.1 BrCC1=NN=C(Br)C=C1 C73657 [0,1,0,0,0,1|1,0,1]=4 292 B9R1.1 CC1=CN=C(CBr)N=C1 95158 [0,1,0,0,0,1|1,0,1]=4 293 B9R1.1 CC1=CN=C(CCl)N=C1 P10954 [0,1,0,0,0,1|1,0,1]=4 294 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [0,1,0,0,0,1|0,0,1]=3 295 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [0,1,0,0,0,1|0,0,1]=3 296 B9R1.1 CC1=NC=C(NN)C=C1 P10368 [0,1,0,0,0,1|1,0,1]=4 297 B9R1.1 CNC1=CC=C(C)N=N1 AT18436 [0,1,0,0,0,1|0,0,1]=3 298 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [0,1,0,0,0,1|2,0,0]=4 299 B9R1.1 CNC1=NC=C(N)C=C1 Y13586 [0,1,0,0,0,1|1,0,1]=4 300 B9R1.1 COC1=CN=C(I)C=C1 F17075 [0,1,0,0,0,1|1,0,1]=4 301 B9R1.1 COC1=NNC(=O)C=C1 AT17771 [0,1,0,0,0,1|1,0,0]=3 302 B9R1.1 CSC1=NC=C(C)C=N1 E70474 [0,1,0,0,0,1|1,0,1]=4 303 B9R1.1 CSC1=NC=C(N)C=C1 D73901 [0,1,0,0,0,1|1,0,1]=4 304 B9R1.1 CSC1=NN=C(Br)C=C1 AT17781 [0,1,0,0,0,1|1,0,1]=4 305 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [0,1,0,0,0,1|2,0,0]=4 306 B9R1.1 ClC1=CN=C(CBr)C=C1 S12201 [0,1,0,0,0,1|1,0,1]=4 307 B9R1.1 ClCC1=CN=C(Cl)C=C1 W18630 [0,1,0,0,0,1|1,0,1]=4 308 B9R1.1 FC1=CN=C(CCl)C=C1 P19178 [0,1,0,0,0,1|1,0,1]=4 309 B9R1.1 NC1=NC=C(CCl)C=C1 AT22351 [0,1,0,0,0,1|1,0,1]=4 310 B9R1.1 NC1=NN=C(CO)C=C1 AT17786 [0,1,0,0,0,1|1,0,1]=4 311 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [0,1,0,0,0,1|2,0,0]=4 312 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [0,1,0,0,0,1|2,0,0]=4 313 B9R1.1 NCC1=NC=C(F)C=C1 83593 [0,1,0,0,0,1|1,0,1]=4 314 B9R1.1 NCC1=NC=C(I)C=C1 C91084 [0,1,0,0,0,1|1,0,1]=4 315 B9R1.1 NCC1=NN=C(Cl)C=C1 D84868 [0,1,0,0,0,1|1,0,1]=4 316 B9R1.1 OCC1=NN=C(Cl)C=C1 AT17814 [0,1,0,0,0,1|1,0,1]=4 317 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [0,1,0,0,0,1|2,0,0]=4 318 B9R1.69 CC1=C(C)N=C(Br)C=C1 F16237 [0,1,0,0,0,1|1,0,1]=4 319 B9R1.69 CC1=C(C)N=C(O)C=C1 F51184 [0,1,0,0,0,1|1,0,1]=4 320 B9R1.69 CC1=C(C)NC(=O)C=C1 F52969 [0,1,0,0,0,1|1,0,0]=3 321 B9R1.69 CC1=C(Cl)C=C(Cl)C=N1 61810 [0,1,0,0,0,1|1,0,1]=4 322 B9R1.69 CC1=C(F)N=C(Br)C=C1 AT22416 [0,1,0,0,0,1|1,0,1]=4 323 B9R1.69 CC1=C(S)C=C(Br)C=C1 AT20875 [0,1,0,0,0,1|2,0,0]=4 324 B9R1.69 CC1=C(S)C=C(N)C=C1 AT20843 [0,1,0,0,0,1|2,0,0]=4 325 B9R1.69 CC1=CC(Br)=NN=C1C AT17779 [0,1,0,0,0,1|1,0,1]=4 326 B9R1.69 CC1=CC(C)=C(N)N=N1 A51049 [0,1,0,0,0,1|1,0,1]=4 327 B9R1.69 CC1=CC(I)=C(Br)N=C1 I10150 [0,1,0,0,0,1|1,0,1]=4 328 B9R1.69 CC1=CC(I)=C(Cl)N=C1 I10136 [0,1,0,0,0,1|1,0,1]=4 329 B9R1.69 CC1=CC(I)=C(O)C=N1 96425 [0,1,0,0,0,1|1,0,1]=4 330 B9R1.69 CC1=CC(N)=C(S)C=C1 AT19644 [0,1,0,0,0,1|2,0,0]=4 331 B9R1.69 CC1=CC(S)=C(Cl)C=C1 AT20814 [0,1,0,0,0,1|2,0,0]=4 332 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19639 [0,1,0,0,0,1|2,0,0]=4 333 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19640 [0,1,0,0,0,1|2,0,0]=4 334 B9R1.69 CC1=CC(S)=C(N)N=N1 P10200 [0,1,0,0,0,1|1,0,1]=4 335 B9R1.69 CC1=CC(S)=NN=C1C AT17808 [0,1,0,0,0,1|1,0,1]=4 336 B9R1.69 CC1=CC=C(Cl)N=C1Br O10690 [0,1,0,0,0,1|1,0,1]=4 337 B9R1.69 CC1=CC=C(I)C(=O)N1 93733 [0,1,0,0,0,1|1,0,0]=3 338 B9R1.69 CC1=CC=C(N)C(N)=N1 C16371 [0,1,0,0,0,1|1,0,1]=4 339 B9R1.69 CC1=CC=C(N)C(O)=N1 68793 [0,1,0,0,0,1|1,0,1]=4 340 B9R1.69 CC1=CN=C(Cl)C=C1F F18561 [0,1,0,0,0,1|1,0,1]=4 341 B9R1.69 CC1=CN=C(N)C(N)=C1 27799 [0,1,0,0,0,1|1,0,1]=4 342 B9R1.69 CC1=CN=C(O)C=C1C AT24357 [0,1,0,0,0,1|1,0,1]=4 343 B9R1.69 CC1=CNC(=O)NC1=S C15659 [0,1,0,0,0,1|2,0,0]=4 344 B9R1.69 CC1=NC(=O)C(N)=CN1 O11345 [0,1,0,0,0,1|2,0,0]=4 345 B9R1.69 CC1=[N+]([O-])C=C(F)C=C1 AC6175 [0,1,0,0,0,1|1,0,1]=4 346 B9R1.69 NC1=CC(Cl)=NNC1=O W19056 [0,1,0,0,0,1|2,0,0]=4 347 B9R1.69 NC1=CC(F)=CNC1=O AT11533 [0,1,0,0,0,1|2,0,0]=4 348 B9R1.69 NC1=CC=C(Br)C(=O)N1 AT18218 [0,1,0,0,0,1|2,0,0]=4 349 B9R1.69 NC1=CNC(=O)C=C1Cl 94340 [0,1,0,0,0,1|2,0,0]=4 350 B9R1.69 O=C1C=C(Cl)C(Br)=CN1 C90977 [0,1,0,0,0,1|2,0,0]=4 351 B9R1.69 O=C1C=C(O)C(Cl)=CN1 43948 [0,1,0,0,0,1|2,0,0]=4 352 B9R1.2 C#CC1=CC(C)=CN=C1 AT12963 [0,1,0,0,0,1|1,0,1]=4 353 B9R1.2 C#CC1=NC(C)=CC=N1 AT18275 [0,1,0,0,0,1|0,0,2]=4 354 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [0,1,0,0,0,1|1,0,0]=3 355 B9R1.2 CC1=CC(CCl)=NC=N1 F52607 [0,1,0,0,0,1|2,0,0]=4 356 B9R1.2 CC1=CC(CN)=NC=N1 AT18324 [0,1,0,0,0,1|2,0,0]=4 357 B9R1.2 CC1=CC=NC(CCl)=N1 P10964 [0,1,0,0,0,1|0,0,1]=3 358 B9R1.2 CC1=CC=NC(CN)=N1 P10960 [0,1,0,0,0,1|0,0,1]=3 359 B9R1.2 CC1=CN=CC(CCl)=N1 O10514 [0,1,0,0,0,1|0,0,1]=3 360 B9R1.2 CC1=CN=CC(CCl)=N1 Y10493 [0,1,0,0,0,1|0,0,1]=3 361 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [0,1,0,0,0,1|0,0,1]=3 362 B9R1.2 CC1=CN=NC(CN)=C1 P13788 [0,1,0,0,0,1|2,0,0]=4 363 B9R1.2 CC1=NC=CC(CCl)=N1 F53395 [0,1,0,0,0,1|0,0,1]=3 364 B9R1.2 CC1=NC=CC(CN)=N1 F14224 [0,1,0,0,0,1|0,0,1]=3 365 B9R1.2 CC1=NC=CC(NN)=C1 F16202 [0,1,0,0,0,1|2,0,0]=4 366 B9R1.2 CCC1=NC=CC(Cl)=N1 W12562 [0,1,0,0,0,1|1,0,1]=4 367 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [0,1,0,0,0,1|2,0,0]=4 368 B9R1.2 COC1=CC(O)=NC=C1 F17762 [0,1,0,0,0,1|2,0,0]=4 369 B9R1.2 COC1=CCC=C(C)C1 AC4015 [0,1,0,0,0,1|1,0,0]=3 370 B9R1.2 COC1=CN=CC(N)=C1 P11509 [0,1,0,0,0,1|2,0,0]=4 371 B9R1.2 CSC1=CC(Cl)=CN=C1 AT19857 [0,1,0,0,0,1|2,0,0]=4 372 B9R1.2 CSC1=CN=CC(Cl)=N1 AT24641 [0,1,0,0,0,1|1,0,1]=4 373 B9R1.2 CSC1=NC(N)=NC=C1 AT18329 [0,1,0,0,0,1|1,0,1]=4 374 B9R1.2 CSC1=NN=CC(C)=N1 AT21837 [0,1,0,0,0,1|1,0,1]=4 375 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [0,1,0,0,0,1|1,0,0]=3 376 B9R1.2 ClC1=NC=CC(CBr)=C1 C16429 [0,1,0,0,0,1|2,0,0]=4 377 B9R1.2 ClC1=NC=CC(CBr)=N1 F12213 [0,1,0,0,0,1|1,0,1]=4 378 B9R1.2 ClCC1=NC=CC(Cl)=C1 C13998 [0,1,0,0,0,1|2,0,0]=4 379 B9R1.2 FC1=CC(CCl)=CN=C1 O10881 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.2 NCC1=CC(=O)NC=C1 37540 [0,1,0,0,0,1|2,0,0]=4 381 B9R1.2 NCC1=CC(Br)=CN=C1 F19818 [0,1,0,0,0,1|2,0,0]=4 382 B9R1.2 NCC1=CC(F)=NC=C1 W18404 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.2 NCC1=CC(N)=NC=C1 AC6477 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.2 NCC1=CC=CC(Cl)=N1 C72946 [0,1,0,0,0,1|1,0,1]=4 385 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [0,1,0,0,0,1|1,0,1]=4 387 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.2 NCC1=NC=CC(N)=C1 77886 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.3 CC1=C(Br)C(=O)NC=C1 29620 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.3 CC1=C(I)C(=O)C=CN1 D84797 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.3 CC1=CC=CC(S)=C1C F20973 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.3 CC1=CC=CC(S)=C1N AT19641 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.3 CC1=CC=NC(C)=C1O F17537 [0,1,0,0,0,1|1,0,0]=3 396 B9R1.3 CC1=CC=NC(Cl)=C1I H11415 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.3 CC1=CC=NC(F)=C1I AT21585 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.3 CC1=CC=NC(N)=C1Cl D71951 [0,1,0,0,0,1|2,0,0]=4 399 B9R1.3 CC1=CC=NC(N)=C1I 65853 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.3 CC1=NC=CC(Cl)=C1N O11210 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.3 CC1=NC=CC(N)=C1Br D96170 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.3 CC1=NC=NC(C)=C1N AT18386 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.3 CN1C(=O)C=CN=C1N AT13875 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.34 CC1=CC(Cl)=CC(F)=N1 91500 [0,1,0,0,0,1|1,0,1]=4 405 B9R1.34 CC1=CC(F)=CC(F)=N1 C16435 [0,1,0,0,0,1|1,0,1]=4 406 B9R1.34 CC1=CC(F)=NC(N)=N1 92215 [0,1,0,0,0,1|1,0,1]=4 407 B9R1.34 CC1=CC(I)=CC(C)=N1 O11249 [0,1,0,0,0,1|0,0,1]=3 408 B9R1.34 CC1=CC(N)=CC(=O)O1 W11226 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.34 CC1=CC(N)=CC(O)=N1 D80759 [0,1,0,0,0,1|1,0,1]=4 410 B9R1.34 CC1=CC(O)=CC(Cl)=N1 C15794 [0,1,0,0,0,1|1,0,1]=4 411 B9R1.34 NC1=CC(Cl)=NC(=O)N1 90675 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.34 O=C1C=C(Cl)N=C(Cl)N1 26535 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.7 CC1=CC=C(CCN)S1 31616 [0,2,0,0,0,0|1,0,0]=3 414 B9R1.7 CC1=CNC(CCN)=N1 F17871 [0,2,0,0,0,0|1,0,1]=4 415 B9R1.7 CC1=CSC(CCN)=C1 96997 [0,2,0,0,0,0|2,0,0]=4 416 B9R1.7 CC1=NC(CC#N)=CO1 AT18653 [0,2,0,0,0,0|1,0,1]=4 417 B9R1.7 CC1=NC(CCN)=CO1 AT18664 [0,2,0,0,0,0|1,0,1]=4 418 B9R1.7 CC1=NC=C(CC#N)O1 AT18729 [0,2,0,0,0,0|2,0,0]=4 419 B9R1.7 CC1=NN=C(CCN)N1 73391 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.7 CCSC1=NC(C)=CS1 H11517 [0,2,0,0,0,0|1,0,1]=4 421 B9R1.7 CN1C=CC(CCO)=N1 AT15991 [0,2,0,0,0,0|1,0,1]=4 422 B9R1.7 CNCC1=CC=C(C)S1 75578 [0,2,0,0,0,0|1,0,0]=3 423 B9R1.7 CNCC1=CSC(C)=N1 F30719 [0,2,0,0,0,0|1,0,1]=4 424 B9R1.7 CNCC1=NC(C)=CS1 70492 [0,2,0,0,0,0|1,0,1]=4 425 B9R1.7 CNCC1=NN(C)C=C1 AT14334 [0,2,0,0,0,0|1,0,1]=4 426 B9R1.7 N#CCC1=CC=C(Cl)S1 AC8046 [0,2,0,0,0,0|2,0,0]=4 427 B9R1.7 NNCC1=CC=C(Cl)S1 P10520 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.21 CCC1=CC(CN)=CS1 54989 [0,2,0,0,0,0|2,0,0]=4 429 B9R1.21 CCC1=CN=C(CCl)O1 AT18577 [0,2,0,0,0,0|2,0,0]=4 430 B9R1.21 CCC1=NC(CBr)=CS1 AT15280 [0,2,0,0,0,0|1,0,1]=4 431 B9R1.21 CCC1=NC(CCl)=CO1 D87036 [0,2,0,0,0,0|1,0,1]=4 432 B9R1.21 CCC1=NC(CCl)=CS1 AT26679 [0,2,0,0,0,0|1,0,1]=4 433 B9R1.21 CCC1=NC=C(CO)N1 AT15340 [0,2,0,0,0,0|1,0,0]=3 434 B9R1.21 CCC1=NN(CC)C=C1 C91457 [0,2,0,0,0,0|1,0,1]=4 435 B9R1.21 CCN1C=CC(CBr)=N1 AT15927 [0,2,0,0,0,0|1,0,1]=4 436 B9R1.21 CCN1C=CC(CN)=N1 C77621 [0,2,0,0,0,0|1,0,1]=4 437 B9R1.21 CCN1C=CC(CO)=N1 AT24106 [0,2,0,0,0,0|1,0,1]=4 438 B9R1.21 COC1=CC=C(C=O)O1 AT17092 [0,2,0,0,0,0|1,0,1]=4 439 B9R1.21 COC1=CC=C(C=O)S1 F53534 [0,2,0,0,0,0|1,0,1]=4 440 B9R1.21 CSC1=CC=C(C#N)S1 AT16707 [0,2,0,0,0,0|1,0,1]=4 441 B9R1.21 CSC1=CC=C(C=O)O1 AT17272 [0,2,0,0,0,0|1,0,1]=4 442 B9R1.21 CSC1=CC=C(C=O)S1 T72147 [0,2,0,0,0,0|1,0,1]=4 443 B9R1.21 N#CC1=CC=C(CCl)O1 AT17436 [0,2,0,0,0,0|1,0,1]=4 444 B9R1.21 N#CC1=CC=C(CN)S1 20230 [0,2,0,0,0,0|1,0,1]=4 445 B9R1.21 NCC1=CC=C(CO)O1 AT17200 [0,2,0,0,0,0|1,0,0]=3 446 B9R1.21 O=CC1=CC=C(CCl)O1 F11818 [0,2,0,0,0,0|1,0,1]=4 447 B9R1.22 CC1=CC(C#N)=C(C)O1 AT17526 [0,2,0,0,0,0|1,0,0]=3 448 B9R1.22 CC1=CC(C=O)=C(C)O1 AT17481 [0,2,0,0,0,0|1,0,0]=3 449 B9R1.22 CC1=CC(CCl)=C(C)S1 AT17067 [0,2,0,0,0,0|1,0,0]=3 450 B9R1.22 CC1=CC(CN)=C(C)O1 AT17533 [0,2,0,0,0,0|1,0,0]=3 451 B9R1.22 CC1=CC(CN)=C(C)O1 AT17544 [0,2,0,0,0,0|1,0,0]=3 452 B9R1.22 CC1=CC(CN)=C(C)S1 AT16798 [0,2,0,0,0,0|1,0,0]=3 453 B9R1.22 CC1=CC(CO)=C(C)S1 AT16768 [0,2,0,0,0,0|1,0,0]=3 454 B9R1.22 CC1=CN(C)C(CCl)=N1 AT15687 [0,2,0,0,0,0|1,0,1]=4 455 B9R1.22 CC1=CN(C)N=C1CCl AT15953 [0,2,0,0,0,0|1,0,1]=4 456 B9R1.22 CC1=CN(C)N=C1CN AT14390 [0,2,0,0,0,0|1,0,1]=4 457 B9R1.22 CC1=NC(C)=C(CCl)N1 AT15570 [0,2,0,0,0,0|1,0,0]=3 458 B9R1.22 CC1=NC(C)=C(CCl)O1 88379 [0,2,0,0,0,0|1,0,1]=4 459 B9R1.22 CC1=NC(C)=C(CN)S1 AC4653 [0,2,0,0,0,0|1,0,1]=4 460 B9R1.22 CC1=NC(C=O)=C(C)O1 S11308 [0,2,0,0,0,0|2,0,0]=4 461 B9R1.22 CC1=NC(C=O)=C(C)S1 AT15238 [0,2,0,0,0,0|2,0,0]=4 462 B9R1.22 CC1=NC(CBr)=C(C)S1 AT15282 [0,2,0,0,0,0|1,0,1]=4 463 B9R1.22 CC1=NC(CCl)=C(C)O1 AT18616 [0,2,0,0,0,0|1,0,1]=4 464 B9R1.22 CC1=NC(CCl)=C(C)S1 AT15305 [0,2,0,0,0,0|1,0,1]=4 465 B9R1.22 CC1=NN(C)C=C1CCl AT16096 [0,2,0,0,0,0|1,0,1]=4 466 B9R1.22 CC1=NN(C)C=C1CO AT14447 [0,2,0,0,0,0|1,0,1]=4 467 B9R1.22 CN1C=C(Br)C(CBr)=N1 AT15929 [0,2,0,0,0,0|1,0,1]=4 468 B9R1.22 CN1C=C(Br)C(CN)=N1 Y11167 [0,2,0,0,0,0|1,0,1]=4 469 B9R1.22 CN1C=C(Cl)C(CCl)=N1 97598 [0,2,0,0,0,0|1,0,1]=4 470 B9R1.22 CN1C=C(Cl)C(CN)=N1 AT25141 [0,2,0,0,0,0|1,0,1]=4 471 B9R1.22 CN1C=C(Cl)C(CO)=N1 97597 [0,2,0,0,0,0|1,0,1]=4 472 B9R1.22 CN1C=C(F)C(CCl)=N1 97596 [0,2,0,0,0,0|1,0,1]=4 473 B9R1.22 CNC1=CC(C)=NN1C 71734 [0,2,0,0,0,0|1,0,1]=4 474 B9R1.22 COC1=C(Br)N=C(C)S1 AT14999 [0,2,0,0,0,0|2,0,0]=4 475 B9R1.23 CC1=C(C)OC(C=O)=C1 F30227 [0,2,0,0,0,0|1,0,1]=4 476 B9R1.23 CC1=C(C)OC(CCl)=N1 AT18579 [0,2,0,0,0,0|1,0,1]=4 477 B9R1.23 CN1N=C(CO)C=C1N AT14216 [0,2,0,0,0,0|1,0,1]=4 478 B9R1.23 COC1=NN(C)C(N)=C1 AT14016 [0,2,0,0,0,0|1,0,1]=4 479 B9R1.23 COC1=NN(C)C(N)=C1 AT14033 [0,2,0,0,0,0|1,0,1]=4 480 B9R1.23 CSC1=NN(C)C(N)=C1 W11079 [0,2,0,0,0,0|1,0,1]=4 481 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [0,2,0,0,0,0|1,0,0]=3 482 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.35 CC(=O)C1=NC(C)=CN1 I10088 [0,2,0,0,0,0|1,0,1]=4 484 B9R1.35 CC(C)C1=NC=C(Br)N1 AT15320 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.35 CC1=CC=C([C@H](C)N)O1 N12562 [0,2,0,0,0,0|1,0,0]=3 486 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12182 [0,2,0,0,0,0|1,0,0]=3 487 B9R1.35 CC1=CN=C([C@H](C)N)O1 F53855 [0,2,0,0,0,0|2,0,0]=4 488 B9R1.35 CC1=NC([C@H](C)N)=CS1 N14678 [0,2,0,0,0,0|1,0,1]=4 489 B9R1.35 CC1=NN=C([C@H](C)N)N1 AT12300 [0,2,0,0,0,0|2,0,0]=4 490 B9R1.35 CC1=NN=C([C@H](C)N)N1 AT12306 [0,2,0,0,0,0|2,0,0]=4 491 B9R1.35 CC1=NN=C([C@H](C)N)N1 AT12307 [0,2,0,0,0,0|2,0,0]=4 492 B9R1.35 CC1=NN=C([C@H](C)N)N1 D77268 [0,2,0,0,0,0|2,0,0]=4 493 B9R1.35 C[C@H](Cl)C1=CC=C(Cl)O1 55261 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y12846 [0,2,0,0,0,0|2,0,0]=4 495 B9R1.35 C[C@H](N)C1=CC=C(Cl)S1 30561 [0,2,0,0,0,0|2,0,0]=4 496 B9R1.35 C[C@H](N)C1=NN(C)C=C1 AT14351 [0,2,0,0,0,0|1,0,1]=4 497 B9R1.35 C[C@H](N)C1=NN(C)C=C1 D96322 [0,2,0,0,0,0|1,0,1]=4 498 B9R1.35 C[C@H](O)C1=CC=C(Cl)O1 55260 [0,2,0,0,0,0|2,0,0]=4 499 B9R1.35 C[C@H](O)C1=NN(C)C=C1 AT14463 [0,2,0,0,0,0|1,0,1]=4 500 B9R1.35 FC(F)C1=CC=C(I)O1 AT17270 [0,2,0,0,0,0|2,0,0]=4 501 B9R1.35 O=C(O)C1=CC=C(Br)N1 O11354 [0,2,0,0,0,0|1,0,1]=4 502 B9R1.35 O=C(O)C1=CC=C(Cl)N1 AT16176 [0,2,0,0,0,0|1,0,1]=4 503 B9R1.132 CC1=C(C)C(CN)=CS1 AT16799 [0,2,0,0,0,0|2,0,0]=4 504 B9R1.132 CC1=CC=C(CN)N1C P10224 [0,2,0,0,0,0|0,0,0]=2 505 B9R1.132 CC1=CN=C(C=O)N1C AT15705 [0,2,0,0,0,0|1,0,1]=4 506 B9R1.132 CC1=CN=C(CO)N1C N13322 [0,2,0,0,0,0|1,0,0]=3 507 B9R1.132 CC1=NN=C(CCl)N1C AT12566 [0,2,0,0,0,0|2,0,0]=4 508 B9R1.132 CC1=NN=C(CO)N1C AT12267 [0,2,0,0,0,0|2,0,0]=4 509 B9R1.132 CN1C(Br)=CN=C1CO 97628 [0,2,0,0,0,0|2,0,0]=4 510 B9R1.132 CN1C(CO)=CN=C1Cl AT15678 [0,2,0,0,0,0|2,0,0]=4 511 B9R1.132 CN1C(Cl)=CC=C1C=O AT16174 [0,2,0,0,0,0|1,0,1]=4 512 B9R1.132 CN1C(Cl)=CN=C1CCl AT15696 [0,2,0,0,0,0|2,0,0]=4 513 B9R1.132 CN1C(Cl)=CN=C1CN AT15558 [0,2,0,0,0,0|2,0,0]=4 514 B9R1.132 CN1C(F)=CN=C1CN 50303 [0,2,0,0,0,0|2,0,0]=4 515 B9R1.37 CC1=C(C)N(C)C(Br)=N1 F18571 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.37 CC1=NN(C)C(N)=C1Cl AT25145 [0,2,0,0,0,0|1,0,1]=4 517 B9R1.37 CC1=NN(C)C(O)=C1C AT14044 [0,2,0,0,0,0|1,0,1]=4 518 B9R1.37 [2H]C1=C([2H])C([2H])=C([2H])N1 D99191 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.27 CC1=CNC(C)=C1C#N F51877 [0,2,0,0,0,0|2,0,0]=4 520 B9R1.27 CC1=CSC(C)=C1C=O 93335 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.27 CC1=CSC(C)=C1CO 93334 [0,2,0,0,0,0|2,0,0]=4 522 B5R0.5 C=C(C)C(=O)[O-] F14145 [0,0,1,0,1,0|2,0,0]=4