0 B7R1.2 CC1=CC(=O)NN1 M2903 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.2 CC1=CC(Br)=CS1 B8084 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.2 CC1=CC(N)=NO1 A0141 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 CC1=CC=C(Br)S1 B3937 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.2 CC1=CC=C(C)N1 D1487 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.2 CC1=CC=C(C)S1 P14109 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.2 CC1=CN=C(Cl)S1 C3520 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 CC1=CN=C(N)S1 A0591 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.2 CC1=CNC(C)=N1 D12856 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 CC1=CSC(N)=N1 A5326 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 CC1=NC(Br)=CN1 B7504 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.2 CC1=NC(I)=CN1 M4036 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.2 CC1=NN=C(Br)S1 B8152 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.2 CC1=NN=C(S)S1 M2336 [0,0,0,0,0,0|3,1,0]=4 14 B7R1.2 CN1C=C(Br)C=N1 B18453 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.2 CN1CCC(O)C1 P6737 [0,0,0,0,0,0|1,0,3]=4 16 B7R1.2 CN1CC[C@H](O)C1 M19385 [0,0,0,0,0,0|1,0,3]=4 17 B7R1.2 O=C1C=CC(=O)N1 M17760 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.2 O=C1CCC(=O)C1 C13983 [0,0,0,0,0,0|1,0,1]=2 19 B7R1.2 O=C1CNC(=O)O1 O13300 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.2 O=C1CSC(=O)N1 T0472 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.2 O=C1C[C@@H](O)CO1 H7194 [0,0,0,0,0,0|2,0,2]=4 22 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,0,0,0,0,0|2,0,2]=4 24 B7R1.2 O=C1C[C@H](O)CO1 H2611 [0,0,0,0,0,0|2,0,2]=4 25 B6R1.2 BrC1=CC=CS1 B7561 [1,0,0,0,0,0|2,0,1]=4 26 B6R1.2 BrC1=CSC=C1 B7562 [1,0,0,0,0,0|2,0,1]=4 27 B6R1.2 BrC1=NSC=C1 B19313 [1,0,0,0,0,0|3,0,0]=4 28 B6R1.2 CC1=CNC=N1 M0110 [1,0,0,0,0,0|2,0,1]=4 29 B6R1.2 CC1=CON=C1 M14375 [1,0,0,0,0,0|2,0,1]=4 30 B6R1.2 CC1=NC=CN1 M18847 [1,0,0,0,0,0|2,0,1]=4 31 B6R1.2 CC1=NC=CS1 M17737 [1,0,0,0,0,0|2,0,1]=4 32 B6R1.2 CC1=NNC=N1 M07295 [1,0,0,0,0,0|3,0,0]=4 33 B6R1.2 CC1=NNC=N1 M07295 [1,0,0,0,0,0|3,0,0]=4 34 B6R1.2 CC1CCNC1 M17094 [1,0,0,0,0,0|1,0,2]=4 35 B6R1.2 C[C@@H]1CCCN1 M7218 [1,0,0,0,0,0|1,0,2]=4 36 B6R1.2 C[C@H]1CCCN1 M3036 [1,0,0,0,0,0|1,0,2]=4 37 B6R1.2 IC1=CC=CS1 I3940 [1,0,0,0,0,0|2,0,1]=4 38 B6R1.2 O=C1C=CCC1 C18886 [1,0,0,0,0,0|0,0,0]=1 39 B6R1.2 O=C1C=CSN1 S19312 [1,0,0,0,0,0|2,0,0]=3 40 B6R1.2 O=C1CCSC1 T11319 [1,0,0,0,0,0|1,0,1]=3 41 B6R1.2 O=C1CC[NH2+]N1 P12961 [1,0,0,0,0,0|2,0,0]=3 42 B6R1.2 O=C1NCCO1 O11604 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.1 C(=O)C1=CC(Br)=CS1 B0240 [0,1,0,0,0,0|2,0,1]=4 44 B8R1.1 C(=O)C1=CC=C(C)S1 M5366 [0,1,0,0,0,0|1,0,2]=4 45 B8R1.1 CC1=NC=C(C=O)S1 M15635 [0,1,0,0,0,0|2,0,1]=4 46 B8R1.1 CCC1=NNC(N)=C1 E16726 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.1 CN1C=C(C=O)C=N1 M11562 [0,1,0,0,0,0|2,0,1]=4 48 B8R1.1 O=C1CC[C@@H](CBr)N1 B12676 [0,1,0,0,0,0|1,0,1]=3 49 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,1,0,0,0,0|1,0,1]=3 50 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,1,0,0,0,0|1,0,1]=3 51 B8R1.1 O=C1NN=C(CCl)N1 C11851 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.1 O=CC1=CC(Br)=CO1 B8008 [0,1,0,0,0,0|2,0,1]=4 53 B8R1.1 OCC1=NNC(Cl)=C1 C16998 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.18 C=C1CC(=O)OC1=O I0486 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.18 CC1=C(C)OC(=O)O1 D0822 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.18 CC1=C(Cl)SC(Cl)=C1 D7736 [0,1,0,0,0,0|2,0,1]=4 57 B8R1.18 CC1=NN(C)C(N)=C1 A13658 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.18 CN1CC(=O)N=C1N C5652 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.18 NN1CC(=O)NC1=O A4941 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.18 N[C@@H]1CC(=O)OC1=O A18191 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.50 CC1=C(C)C(N)=NO1 A12569 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.50 CC1=C(Cl)C(N)=NN1 C14729 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.50 CC1=C(O)COC1=O H15815 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.50 CC1=NNC(C)=C1Br B8009 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.50 CC1=NNC(N)=C1Br A3761 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.50 CC1=NOC(C)=C1Br B8044 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.50 CC1=NOC(C)=C1N A18208 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.50 CC1=NOC(N)=C1C A11501 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.50 O=C1CCC(=O)N1Br B12482 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.50 O=C1CCC(=O)N1Cl C18802 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.50 O=C1CCC(=O)N1O H0382 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.1 CCOC(=O)CN A14488 [0,0,1,0,0,0|2,0,1]=4 73 B6R0.1 CNCC(=O)OC M5408 [0,0,1,0,0,0|2,0,1]=4 74 B6R0.2 C(C(=O)O)N(C)C D18801 [0,0,1,0,0,0|2,0,1]=4 75 B6R0.2 CC(C)=CC(=O)O D18784 [0,0,1,0,0,0|1,0,0]=2 76 B6R0.2 C\C(N)=C/C(N)=S A18256 [0,0,1,0,0,0|2,1,0]=4 77 B6R0.4 C=CCCC(=N)N P16910 [0,0,1,0,0,0|2,0,1]=4 78 B6R0.4 COCCC(=N)N M13848 [0,0,1,0,0,0|3,0,0]=4 79 B6R0.4 NCCCC(=O)O A19243 [0,0,1,0,0,0|2,0,1]=4 80 B6R0.4 O=C(Cl)CCCCl C18875 [0,0,1,0,0,0|2,0,1]=4 81 B6R1.4 CN1CCC1N A18235 [0,0,0,0,1,0|2,0,1]=4 82 B8R1.3 CC1=CC=C(Br)C=C1 B18871 [0,0,0,0,0,1|1,0,2]=4 83 B8R1.3 CC1=CC=C(Cl)N=N1 C2320 [0,0,0,0,0,1|3,0,0]=4 84 B8R1.3 CC1=CC=C(N)C=C1 T18863 [0,0,0,0,0,1|1,0,2]=4 85 B8R1.3 CC1=CN=C(Br)C=C1 B5054 [0,0,0,0,0,1|1,0,2]=4 86 B8R1.3 CC1=CN=C(F)C=C1 F16734 [0,0,0,0,0,1|1,0,2]=4 87 B8R1.3 CC1=CN=C(N)C=C1 A1408 [0,0,0,0,0,1|1,0,2]=4 88 B8R1.3 CC1=CN=C(N)C=N1 A18243 [0,0,0,0,0,1|2,0,1]=4 89 B8R1.3 CC1=CN=C(O)C=C1 H11434 [0,0,0,0,0,1|0,0,3]=4 90 B8R1.3 CC1=NC=C(Br)C=C1 B0366 [0,0,0,0,0,1|1,0,2]=4 91 B8R1.3 CC1=NC=C(N)C=C1 A1025 [0,0,0,0,0,1|1,0,2]=4 92 B8R1.3 CC1=NC=C(N)C=C1 A1025 [0,0,0,0,0,1|1,0,2]=4 93 B8R1.3 CN1CCC(=O)CC1 M3185 [0,0,0,0,0,1|1,0,1]=3 94 B8R1.3 O=C1CCC(O)CC1 H15821 [0,0,0,0,0,1|1,0,2]=4 95 B8R1.3 O=C1CC[C@H](O)CN1 H14910 [0,0,0,0,0,1|1,0,2]=4 96 B8R1.4 CC1=CC(Br)=CC=N1 B11287 [0,0,0,0,0,1|1,0,2]=4 97 B8R1.4 CC1=CC(Br)=NC=C1 B2654 [0,0,0,0,0,1|1,0,2]=4 98 B8R1.4 CC1=CC(F)=NC=C1 F12483 [0,0,0,0,0,1|1,0,2]=4 99 B8R1.4 CC1=CC(N)=CN=C1 M11544 [0,0,0,0,0,1|1,0,2]=4 100 B8R1.4 CC1=CC(N)=NC=C1 A3549 [0,0,0,0,0,1|1,0,2]=4 101 B8R1.4 CC1=CC(O)=NC=C1 H11433 [0,0,0,0,0,1|0,0,3]=4 102 B8R1.4 CC1=CC=CC(I)=C1 I9818 [0,0,0,0,0,1|1,0,2]=4 103 B8R1.4 CC1=CN=CC(Br)=C1 B1021 [0,0,0,0,0,1|1,0,2]=4 104 B8R1.4 CC1=CN=CC(Br)=C1 B1021 [0,0,0,0,0,1|1,0,2]=4 105 B8R1.4 CC1=CN=CC(C)=C1 D3192 [0,0,0,0,0,1|1,0,2]=4 106 B8R1.4 CC1=NC=CC(N)=C1 A1027 [0,0,0,0,0,1|1,0,2]=4 107 B8R1.4 CC1=NC=NC(Cl)=C1 M4481 [0,0,0,0,0,1|2,0,1]=4 108 B8R1.4 NC1=CC(=O)CCC1 A11848 [0,0,0,0,0,1|1,0,0]=2 109 B8R1.4 O=C1C=C(Cl)CCC1 C14310 [0,0,0,0,0,1|1,0,0]=2 110 B5R0.1 CCCC(=O)O B18853 [1,0,1,0,0,0|1,0,0]=3 111 B5R0.1 CNCC(=O)O S18803 [1,0,1,0,0,0|2,0,0]=4 112 B5R0.3 COC(=O)CN G18901 [1,0,1,0,0,0|2,0,0]=4 113 B5R1.1 C1=CCNC1 P12964 [2,0,0,0,0,0|1,0,1]=4 114 B5R1.1 C1=CON=C1 I12950 [2,0,0,0,0,0|2,0,0]=4 115 B7R0.2 CC[C@H](C)CC(=O)O M13871 [0,1,1,0,0,0|0,0,2]=4 116 B7R0.2 COC(=O)\C=C(\C)N A18843 [0,1,1,0,0,0|1,0,0]=3 117 B7R0.3 COC(=O)\C=C\CBr M1565 [0,1,1,0,0,0|1,0,0]=3 118 B7R0.7 COCC(=O)COC D12730 [0,1,1,0,0,0|1,0,1]=4 119 B7R0.4 C=CCNCC(=O)O A18405 [0,1,1,0,0,0|1,0,1]=4 120 B7R0.4 CC(=O)CCCCCl C18888 [0,1,1,0,0,0|0,0,2]=4 121 B7R0.4 O=C(Cl)CCCCBr B9001 [0,1,1,0,0,0|1,0,1]=4 122 B7R0.6 C(NC(C)=O)C(=O)O A1250 [0,1,1,0,0,0|2,0,0]=4 123 B7R0.6 CC(=O)CNC(C)=O O12675 [0,1,1,0,0,0|1,0,1]=4 124 B7R1.1 BrCC1=CSC=C1 B8083 [1,1,0,0,0,0|1,0,1]=4 125 B7R1.1 BrCC1=CSC=C1 B8083 [1,1,0,0,0,0|1,0,1]=4 126 B7R1.1 C(=O)C1=CSC=C1 T0722 [1,1,0,0,0,0|1,0,1]=4 127 B7R1.1 C(=O)C1=CSC=C1 T0722 [1,1,0,0,0,0|1,0,1]=4 128 B7R1.1 NCC1=CC=CO1 F2158 [1,1,0,0,0,0|1,0,1]=4 129 B7R1.1 NCC1=CC=CS1 T3333 [1,1,0,0,0,0|1,0,1]=4 130 B7R1.1 NCC1=NNC=C1 P17146 [1,1,0,0,0,0|2,0,0]=4 131 B7R1.1 O=CC1=CC=CN1 P4103 [1,1,0,0,0,0|1,0,1]=4 132 B7R1.1 O=CC1=CC=CN1 P4103 [1,1,0,0,0,0|1,0,1]=4 133 B7R1.1 O=CC1=CC=CS1 T1387 [1,1,0,0,0,0|1,0,1]=4 134 B7R1.1 O=CC1=NNC=C1 M3639 [1,1,0,0,0,0|2,0,0]=4 135 B7R1.1 OCC1=NNC=C1 P17144 [1,1,0,0,0,0|2,0,0]=4 136 B7R1.1 OCC1=NNC=C1 P17144 [1,1,0,0,0,0|2,0,0]=4 137 B7R1.4 C=C1CCOC1=O M11697 [1,1,0,0,0,0|1,0,1]=4 138 B7R1.4 CC1=C(Br)SC=C1 B5335 [1,1,0,0,0,0|1,0,1]=4 139 B7R1.4 CC1=C(Cl)SC=C1 C1192 [1,1,0,0,0,0|1,0,1]=4 140 B7R1.4 CC1=NNC=C1Br B7502 [1,1,0,0,0,0|2,0,0]=4 141 B7R1.4 CC1OCCC1=O M5424 [1,1,0,0,0,0|1,0,1]=4 142 B7R1.4 CN1CCN=C1S M3268 [1,1,0,0,0,0|2,0,0]=4 143 B7R1.4 CN1SC=CC1=O M5023 [1,1,0,0,0,0|2,0,0]=4 144 B7R1.4 N[C@@H]1CONC1=O C5656 [1,1,0,0,0,0|2,0,0]=4 145 B7R1.4 O=C1OCCC1Br B11067 [1,1,0,0,0,0|1,0,1]=4 146 B9R1.1 C(=O)C1=CC=C(C)C=C1 M0262 [0,1,0,0,0,1|0,0,2]=4 147 B9R1.1 C(=O)C1=CN=C(C)N=C1 M12474 [0,1,0,0,0,1|1,0,1]=4 148 B9R1.1 C(=O)C1=CN=C(C)N=C1 P12475 [0,1,0,0,0,1|1,0,1]=4 149 B9R1.1 NCC1=CNC(=O)C=C1 A18120 [0,1,0,0,0,1|0,0,2]=4 150 B9R1.1 O=C1C=CC(CO)=CN1 H11547 [0,1,0,0,0,1|0,0,2]=4 151 B9R1.69 CC1=CNC(=O)N=C1N M11128 [0,1,0,0,0,1|1,0,1]=4 152 B9R1.69 CC1=CNC(=O)NC1=O M0095 [0,1,0,0,0,1|1,0,1]=4 153 B9R1.2 C(=O)C1=CC=CC(C)=C1 T4219 [0,1,0,0,0,1|0,0,2]=4 154 B9R1.3 CC1C(=O)CCCC1=O D3659 [0,1,0,0,0,1|1,0,1]=4 155 B9R1.34 CC1=CC(=O)NC(=O)N1 M0096 [0,1,0,0,0,1|1,0,1]=4 156 B9R1.34 CC1=CC(=O)NC(=S)N1 M6434 [0,1,0,0,0,1|1,0,1]=4 157 B9R1.35 CC1=CC(C(=O)O)=CN1 M16417 [0,2,0,0,0,0|1,0,1]=4 158 B9R1.35 CC1=CC(C(=O)O)=CN1 M16417 [0,2,0,0,0,0|1,0,1]=4 159 B9R1.35 CC1=NNC(C(=O)O)=C1 M12250 [0,2,0,0,0,0|2,0,0]=4 160 B9R1.132 CCC1=C(O)C(=O)CC1 E13443 [0,2,0,0,0,0|0,0,0]=2 161 B9R1.37 CC1=C(O)C(=O)C(C)O1 H2641 [0,2,0,0,0,0|1,0,0]=3 162 B9R1.37 CC1=C(O)C(=O)OC1C D6964 [0,2,0,0,0,0|1,0,0]=3 163 B9R1.27 CCC1=C(C)CNC1=O E5392 [0,2,0,0,0,0|1,0,0]=3 164 B7R1.3 O=C1C=CCCC1 C17765 [0,0,1,1,0,0|0,0,0]=2 165 B7R1.18 O=C(O)C1CNC1 A18761 [0,0,1,1,0,0|2,0,0]=4 166 B7R1.18 O=C(O)C1CNC1 A3585 [0,0,1,1,0,0|2,0,0]=4 167 B7R1.18 O=C(O)C1CNC1 A3585 [0,0,1,1,0,0|2,0,0]=4 168 B9R2.25 O=C1OC(=O)C2CC12 O19294 [0,0,0,1,0,1|2,0,0]=4 169 B5R0.5 CC(=O)C(C)O A1243 [0,0,1,0,1,0|1,0,1]=4 170 B5R0.5 CC(C)C(N)=O I11048 [0,0,1,0,1,0|1,0,1]=4 171 B5R1.2 O=C1CCC1 C17719 [1,0,0,0,1,0|0,0,1]=3 172 B5R1.2 O=C1CCN1 A18280 [1,0,0,0,1,0|1,0,0]=3 173 B5R1.2 O=C1COC1 O19064 [1,0,0,0,1,0|1,0,1]=4