0 B5R1.1 C1=CCNC1 P12964 [0,0,0,0,0,0|0,0,2]=2 1 B5R1.1 C1=CNC=N1 I18837 [0,0,0,0,0,0|1,0,0]=1 2 B5R1.1 C1=CNN=N1 T4825 [0,0,0,0,0,0|2,0,0]=2 3 B5R1.1 C1=CNN=N1 T4825 [0,0,0,0,0,0|2,0,0]=2 4 B5R1.1 C1=CON=C1 I12950 [0,0,0,0,0,0|1,0,1]=2 5 B6R1.2 BrC1=CC=CS1 B7561 [0,1,0,0,0,0|1,0,0]=2 6 B6R1.2 BrC1=CNC=N1 B11785 [0,1,0,0,0,0|1,0,0]=2 7 B6R1.2 BrC1=CNN=C1 B17685 [0,1,0,0,0,0|1,0,0]=2 8 B6R1.2 BrC1=CSC=C1 B7562 [0,1,0,0,0,0|1,0,0]=2 9 B6R1.2 BrC1=CSC=N1 B12641 [0,1,0,0,0,0|1,0,1]=3 10 B6R1.2 BrC1=NC=CS1 B7609 [0,1,0,0,0,0|1,0,1]=3 11 B6R1.2 BrC1=NSC=C1 B19313 [0,1,0,0,0,0|1,0,1]=3 12 B6R1.2 CC1=CNC=N1 M0110 [0,1,0,0,0,0|1,0,0]=2 13 B6R1.2 CC1=CON=C1 M14375 [0,1,0,0,0,0|1,0,1]=3 14 B6R1.2 CC1=NC=CN1 M18847 [0,1,0,0,0,0|1,0,0]=2 15 B6R1.2 CC1=NC=CS1 M17737 [0,1,0,0,0,0|1,0,1]=3 16 B6R1.2 CC1=NN=NN1 M1394 [0,1,0,0,0,0|3,0,0]=4 17 B6R1.2 CC1=NNC=N1 M07295 [0,1,0,0,0,0|2,0,0]=3 18 B6R1.2 CC1=NNC=N1 M07295 [0,1,0,0,0,0|2,0,0]=3 19 B6R1.2 ClC1=CN=NS1 C18993 [0,1,0,0,0,0|2,0,1]=4 20 B6R1.2 IC1=CC=CS1 I3940 [0,1,0,0,0,0|1,0,0]=2 21 B6R1.2 IC1=CNC=N1 I4020 [0,1,0,0,0,0|1,0,0]=2 22 B6R1.2 IC1=CNC=N1 I4020 [0,1,0,0,0,0|1,0,0]=2 23 B6R1.2 IC1=CNN=C1 I8759 [0,1,0,0,0,0|1,0,0]=2 24 B6R1.2 NC1=CN=NS1 A3755 [0,1,0,0,0,0|2,0,1]=4 25 B6R1.2 NC1=CN=NS1 A3755 [0,1,0,0,0,0|2,0,1]=4 26 B6R1.2 NC1=CSC=N1 A19319 [0,1,0,0,0,0|1,0,1]=3 27 B6R1.2 NC1=NC=CN1 A6573 [0,1,0,0,0,0|1,0,0]=2 28 B6R1.2 NC1=NN=CS1 T5400 [0,1,0,0,0,0|2,0,1]=4 29 B6R1.2 NC1=NN=CS1 T5400 [0,1,0,0,0,0|2,0,1]=4 30 B6R1.2 NC1=NN=NN1 A13272 [0,1,0,0,0,0|3,0,0]=4 31 B6R1.2 NC1=NNC=N1 A1361 [0,1,0,0,0,0|2,0,0]=3 32 B6R1.2 NN1C=NN=C1 A1051 [0,1,0,0,0,0|2,0,0]=3 33 B6R1.2 O=C1C=CCC1 C18886 [0,1,0,0,0,0|1,0,1]=3 34 B6R1.2 O=C1C=CSN1 S19312 [0,1,0,0,0,0|1,0,0]=2 35 B6R1.2 O=C1CC[NH2+]N1 P12961 [0,1,0,0,0,0|1,0,2]=4 36 B6R1.2 O=C1NCCO1 O11604 [0,1,0,0,0,0|1,0,2]=4 37 B6R1.2 SC1=NNC=N1 M5422 [0,1,0,0,0,0|2,0,0]=3 38 B6R1.2 [NH3+]C1=CNN=C1 P12536 [0,1,0,0,0,0|1,0,0]=2 39 B5R0.1 C=CCC(=N)N V13123 [0,1,1,0,0,0|0,0,1]=3 40 B5R1.2 O=C1CCN1 A18280 [0,1,0,0,1,0|0,0,2]=4 41 B7R1.3 BrC1=CC=CN=C1 B11571 [0,1,0,0,0,1|0,0,1]=3 42 B7R1.3 BrC1=CC=NC=C1 B17440 [0,1,0,0,0,1|0,0,1]=3 43 B7R1.3 BrC1=CC=NC=C1 B1969 [0,1,0,0,0,1|0,0,1]=3 44 B7R1.3 BrC1=CC=NC=C1 B1969 [0,1,0,0,0,1|0,0,1]=3 45 B7R1.3 BrC1=CN=CN=C1 B1754 [0,1,0,0,0,1|0,0,1]=3 46 B7R1.3 BrC1=NC=CC=C1 B0120 [0,1,0,0,0,1|0,0,1]=3 47 B7R1.3 BrC1=NC=CC=N1 B3816 [0,1,0,0,0,1|0,0,1]=3 48 B7R1.3 CC1=CN=CN=C1 M17713 [0,1,0,0,0,1|0,0,1]=3 49 B7R1.3 C[N+]1=CC=CC=C1 M7975 [0,1,0,0,0,1|0,0,1]=3 50 B7R1.3 ClC1=CC=CN=C1 C3229 [0,1,0,0,0,1|0,0,1]=3 51 B7R1.3 ClC1=CC=NC=C1 C0128 [0,1,0,0,0,1|0,0,1]=3 52 B7R1.3 ClC1=CC=NC=C1 C0128 [0,1,0,0,0,1|0,0,1]=3 53 B7R1.3 ClC1=CN=CN=C1 C4480 [0,1,0,0,0,1|0,0,1]=3 54 B7R1.3 ClC1=NC=CC=N1 C2137 [0,1,0,0,0,1|0,0,1]=3 55 B7R1.3 ClC1=NC=CN=C1 C1194 [0,1,0,0,0,1|0,0,1]=3 56 B7R1.3 FC1=CC=CN=C1 F0708 [0,1,0,0,0,1|0,0,1]=3 57 B7R1.3 FC1=CN=CN=C1 F12585 [0,1,0,0,0,1|0,0,1]=3 58 B7R1.3 FC1=NC=CC=C1 F11774 [0,1,0,0,0,1|0,0,1]=3 59 B7R1.3 IC1=CC=CN=C1 I9223 [0,1,0,0,0,1|0,0,1]=3 60 B7R1.3 IC1=CC=NC=C1 I2357 [0,1,0,0,0,1|0,0,1]=3 61 B7R1.3 IC1=NC=CC=C1 I11288 [0,1,0,0,0,1|0,0,1]=3 62 B7R1.3 IC1=NC=CN=C1 I4021 [0,1,0,0,0,1|0,0,1]=3 63 B7R1.3 NC1=CC=CN=C1 A11569 [0,1,0,0,0,1|0,0,1]=3 64 B7R1.3 NC1=CC=NC=C1 A0126 [0,1,0,0,0,1|0,0,1]=3 65 B7R1.3 NC1=CC=NC=C1 A0126 [0,1,0,0,0,1|0,0,1]=3 66 B7R1.3 NC1=NC=CC=C1 A11568 [0,1,0,0,0,1|0,0,1]=3 67 B7R1.3 NC1=NC=CC=N1 A3250 [0,1,0,0,0,1|0,0,1]=3 68 B7R1.3 NC1=NC=CN=C1 A13271 [0,1,0,0,0,1|0,0,1]=3 69 B7R1.3 O=C1C=CCCC1 C17765 [0,1,0,0,0,1|1,0,1]=4 70 B7R1.3 OC1=CC=NC=C1 H4081 [0,1,0,0,0,1|0,0,1]=3 71 B7R1.3 OC1=NC=CC=C1 H5719 [0,1,0,0,0,1|0,0,1]=3 72 B7R1.3 OC1=NC=CC=N1 H11053 [0,1,0,0,0,1|0,0,1]=3 73 B7R1.3 OC1=NC=CC=N1 P17609 [0,1,0,0,0,1|0,0,1]=3 74 B7R1.3 OC1=NC=NC=C1 U11252 [0,1,0,0,0,1|0,0,1]=3 75 B7R1.3 SC1=NC=CC=C1 P0646 [0,1,0,0,0,1|0,0,1]=3 76 B7R1.3 SC1=NC=CC=N1 M17738 [0,1,0,0,0,1|0,0,1]=3 77 B7R1.1 BrCC1=CSC=C1 B8083 [0,2,0,0,0,0|1,0,0]=3 78 B7R1.1 BrCC1=CSC=C1 B8083 [0,2,0,0,0,0|1,0,0]=3 79 B7R1.1 C(=O)C1=CSC=C1 T0722 [0,2,0,0,0,0|1,0,0]=3 80 B7R1.1 C(=O)C1=CSC=C1 T0722 [0,2,0,0,0,0|1,0,0]=3 81 B7R1.1 CCC1=NC=CN1 E1455 [0,2,0,0,0,0|1,0,0]=3 82 B7R1.1 ClCC1=CSC=N1 C14673 [0,2,0,0,0,0|1,0,1]=4 83 B7R1.1 ClCC1=CSC=N1 C14673 [0,2,0,0,0,0|1,0,1]=4 84 B7R1.1 N#CC1=CC=CS1 T2218 [0,2,0,0,0,0|1,0,0]=3 85 B7R1.1 N#CC1=NNC=N1 C3710 [0,2,0,0,0,0|2,0,0]=4 86 B7R1.1 NCC1=CC=CO1 F2158 [0,2,0,0,0,0|1,0,0]=3 87 B7R1.1 NCC1=CC=CS1 T3333 [0,2,0,0,0,0|1,0,0]=3 88 B7R1.1 NCC1=NC=CN1 I17075 [0,2,0,0,0,0|1,0,0]=3 89 B7R1.1 NCC1=NC=CS1 A16694 [0,2,0,0,0,0|1,0,1]=4 90 B7R1.1 NCC1=NNC=C1 P17146 [0,2,0,0,0,0|1,0,0]=3 91 B7R1.1 O=CC1=CC=CN1 P4103 [0,2,0,0,0,0|0,0,0]=2 92 B7R1.1 O=CC1=CC=CN1 P4103 [0,2,0,0,0,0|0,0,0]=2 93 B7R1.1 O=CC1=CC=CS1 T1387 [0,2,0,0,0,0|1,0,0]=3 94 B7R1.1 O=CC1=CN=CS1 T17632 [0,2,0,0,0,0|1,0,1]=4 95 B7R1.1 O=CC1=CNC=N1 I2653 [0,2,0,0,0,0|1,0,0]=3 96 B7R1.1 O=CC1=CSC=N1 T17623 [0,2,0,0,0,0|1,0,1]=4 97 B7R1.1 O=CC1=NC=CS1 T17639 [0,2,0,0,0,0|1,0,1]=4 98 B7R1.1 O=CC1=NNC=C1 M3639 [0,2,0,0,0,0|1,0,0]=3 99 B7R1.1 OCC1=CN=CS1 H15363 [0,2,0,0,0,0|1,0,1]=4 100 B7R1.1 OCC1=CNC=N1 H11787 [0,2,0,0,0,0|1,0,0]=3 101 B7R1.1 OCC1=CNC=N1 H4012 [0,2,0,0,0,0|1,0,0]=3 102 B7R1.1 OCC1=NC=CN1 I14917 [0,2,0,0,0,0|1,0,0]=3 103 B7R1.1 OCC1=NNC=C1 P17144 [0,2,0,0,0,0|1,0,0]=3 104 B7R1.1 OCC1=NNC=C1 P17144 [0,2,0,0,0,0|1,0,0]=3 105 B7R1.2 BrC1=CC=C(Br)S1 D0151 [0,2,0,0,0,0|1,0,0]=3 106 B7R1.2 BrC1=CSC(Br)=N1 D10766 [0,2,0,0,0,0|1,0,1]=4 107 B7R1.2 BrC1=NNC(Br)=N1 D3853 [0,2,0,0,0,0|2,0,0]=4 108 B7R1.2 BrC1=NNC(Br)=N1 D3853 [0,2,0,0,0,0|2,0,0]=4 109 B7R1.2 CC1=CC(=O)NN1 M2903 [0,2,0,0,0,0|1,0,0]=3 110 B7R1.2 CC1=CC(Br)=CS1 B8084 [0,2,0,0,0,0|1,0,0]=3 111 B7R1.2 CC1=CC(N)=NO1 A0141 [0,2,0,0,0,0|1,0,1]=4 112 B7R1.2 CC1=CC=C(Br)S1 B3937 [0,2,0,0,0,0|1,0,0]=3 113 B7R1.2 CC1=CC=C(C)N1 D1487 [0,2,0,0,0,0|0,0,0]=2 114 B7R1.2 CC1=CC=C(C)S1 P14109 [0,2,0,0,0,0|1,0,0]=3 115 B7R1.2 CC1=CN=C(Cl)S1 C3520 [0,2,0,0,0,0|1,0,1]=4 116 B7R1.2 CC1=CN=C(N)S1 A0591 [0,2,0,0,0,0|1,0,1]=4 117 B7R1.2 CC1=CNC(C)=N1 D12856 [0,2,0,0,0,0|1,0,0]=3 118 B7R1.2 CC1=CSC(N)=N1 A5326 [0,2,0,0,0,0|1,0,1]=4 119 B7R1.2 CC1=NC(Br)=CN1 B7504 [0,2,0,0,0,0|1,0,0]=3 120 B7R1.2 CC1=NC(I)=CN1 M4036 [0,2,0,0,0,0|1,0,0]=3 121 B7R1.2 CN1C=C(Br)C=N1 B18453 [0,2,0,0,0,0|1,0,0]=3 122 B7R1.2 ClC1=CC=C(Br)S1 B3948 [0,2,0,0,0,0|1,0,0]=3 123 B7R1.2 ClC1=CC=C(Cl)S1 D1586 [0,2,0,0,0,0|1,0,0]=3 124 B7R1.2 NC1=NC=C(Br)S1 A18626 [0,2,0,0,0,0|1,0,1]=4 125 B7R1.2 NC1=NNC(S)=N1 A3780 [0,2,0,0,0,0|2,0,0]=4 126 B7R1.2 O=C1C=CC(=O)N1 M17760 [0,2,0,0,0,0|0,0,0]=2 127 B7R1.2 O=C1CNC(=O)O1 O13300 [0,2,0,0,0,0|1,0,1]=4 128 B7R1.2 O=C1CSC(=O)N1 T0472 [0,2,0,0,0,0|1,0,1]=4 129 B7R1.4 BrC1=C(Br)SC=C1 D3934 [0,2,0,0,0,0|1,0,0]=3 130 B7R1.4 BrC1=CSC=C1Br D3935 [0,2,0,0,0,0|1,0,0]=3 131 B7R1.4 CC1=C(Br)SC=C1 B5335 [0,2,0,0,0,0|1,0,0]=3 132 B7R1.4 CC1=C(C)SC=N1 D0729 [0,2,0,0,0,0|1,0,1]=4 133 B7R1.4 CC1=C(Cl)SC=C1 C1192 [0,2,0,0,0,0|1,0,0]=3 134 B7R1.4 CC1=NNC=C1Br B7502 [0,2,0,0,0,0|1,0,0]=3 135 B7R1.4 CN1C=CN=C1Br B7503 [0,2,0,0,0,0|1,0,0]=3 136 B7R1.4 CN1C=CN=C1S T0187 [0,2,0,0,0,0|1,0,0]=3 137 B7R1.4 CN1C=CN=C1S T0187 [0,2,0,0,0,0|1,0,0]=3 138 B7R1.4 CN1C=NC=C1Br B13582 [0,2,0,0,0,0|1,0,0]=3 139 B7R1.4 CN1C=NC=C1Cl C0777 [0,2,0,0,0,0|1,0,0]=3 140 B7R1.4 CN1C=NC=C1Cl M4716 [0,2,0,0,0,0|1,0,0]=3 141 B7R1.4 CN1C=NC=C1I M19391 [0,2,0,0,0,0|1,0,0]=3 142 B7R1.4 CN1SC=CC1=O M5023 [0,2,0,0,0,0|1,0,0]=3 143 B7R1.4 ClC1=C(Br)C=CS1 B8915 [0,2,0,0,0,0|1,0,0]=3