0 B6R1.2 BrC1=CSN=C1 BB58-1904 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 CC1=NCCN1 BB01-8036 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 CC1=NSN=C1 BB12-1747 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 ClC1=NSN=C1 BB58-0637 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 IC1=CSN=C1 BB54-5098 [0,0,0,0,0,0|2,0,2]=4 5 B6R1.2 N=C1NCCN1 BB20-0100 [0,0,0,0,0,0|4,0,0]=4 6 B6R1.2 NC1CCOC1 BB55-5168 [0,0,0,0,0,0|1,1,1]=3 7 B6R1.2 O=C1NC=CN1 BB57-4795 [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 O=C1NC=NN1 BB54-5765 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 OC1CNOC1 BB12-1709 [0,0,0,0,0,0|1,1,2]=4 10 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [0,0,0,0,0,0|1,0,2]=3 11 B5R1.1 C1=CSN=C1 BB58-1903 [1,0,0,0,0,0|1,0,2]=4 12 B5R1.1 C1CSCN1 BB57-3983 [1,0,0,0,0,0|1,0,0]=2 13 B7R1.1 CNC1CCCC1 BB53-1678 [0,1,0,0,0,0|2,0,1]=4 14 B7R1.1 O=CC1=CSC=N1 BB57-0141 [0,1,0,0,0,0|1,0,2]=4 15 B7R1.2 CC1CNC(=O)C1 BB58-5429 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.2 CC1CNC(=O)O1 BB57-3655 [0,1,0,0,0,0|3,0,0]=4 17 B7R1.2 CC1COC(=O)N1 BB57-2454 [0,1,0,0,0,0|3,0,0]=4 18 B7R1.2 CN1CC[C@@H](N)C1 BB32-2166 [0,1,0,0,0,0|2,0,1]=4 19 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,1,0,0,0,0|1,0,1]=3 20 B7R1.2 O=C1C=C(O)CO1 BB54-5190 [0,1,0,0,0,0|2,0,1]=4 21 B7R1.2 O=C1CNC(=S)N1 BB20-3124 [0,1,0,0,0,0|2,0,1]=4 22 B7R1.2 O=C1NC(=S)CS1 BB58-2054 [0,1,0,0,0,0|1,1,1]=4 23 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [0,1,0,0,0,0|2,0,0]=3 24 B7R1.4 NC1CCCC1=O BB58-3328 [0,1,0,0,0,0|1,0,0]=2 25 B7R1.4 NC1CCNC1=O BB12-2184 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.4 N[C@@H]1CSC[C@H]1O BB54-3348 [0,1,0,0,0,0|0,0,2]=3 27 B7R1.14 O=S1(=O)C=CCC1 BB54-3187 [0,1,0,0,0,0|2,0,1]=4 28 B5R0.1 C=C(C)CNN BB57-2407 [0,0,1,0,0,0|3,0,0]=4 29 B5R0.1 CC(=O)CC#N BB54-5411 [0,0,1,0,0,0|1,0,1]=3 30 B5R0.1 CC(N)CCO BB57-1076 [0,0,1,0,0,0|1,1,1]=4 31 B5R0.1 CCOC(C)=N BB12-3674 [0,0,1,0,0,0|3,0,0]=4 32 B5R0.1 CNCC(C)=O BB12-3010 [0,0,1,0,0,0|1,0,0]=2 33 B5R0.1 CNCC(C)O BB12-1288 [0,0,1,0,0,0|1,0,2]=4 34 B5R0.1 COCC(N)=S BB58-4256 [0,0,1,0,0,0|1,2,0]=4 35 B5R0.1 CS(=O)CCN BB55-5915 [0,0,1,0,0,0|2,0,0]=3 36 B5R0.1 NC(=O)CCO BB58-1090 [0,0,1,0,0,0|1,1,0]=3 37 B5R0.2 CCSCCN BB53-1545 [0,0,1,0,0,0|1,0,1]=3 38 B5R0.2 CCSCCO BB54-1799 [0,0,1,0,0,0|0,0,2]=3 39 B5R0.2 CNCCSC BB57-4145 [0,0,1,0,0,0|2,0,0]=3 40 B5R0.2 COCCNN BB58-0266 [0,0,1,0,0,0|2,1,0]=4 41 B5R0.2 CSCCC#N BB12-3714 [0,0,1,0,0,0|1,0,1]=3 42 B5R0.2 [C-]#[N+]CCCC BB56-0718 [0,0,1,0,0,0|3,0,0]=4 43 B5R0.2 [C-]#[N+]CCOC BB56-1837 [0,0,1,0,0,0|2,1,0]=4 44 B5R0.3 CC\C(N)=N\O BB12-3467 [0,0,1,0,0,0|2,1,0]=4 45 B5R0.3 CNC(=O)CBr BB55-6801 [0,0,1,0,0,0|2,0,0]=3 46 B5R0.3 CNC(=O)CO BB58-0349 [0,0,1,0,0,0|1,1,0]=3 47 B5R0.3 NNC(=O)CO BB12-3095 [0,0,1,0,0,0|2,1,0]=4 48 B5R0.3 NNC(=O)CS BB58-4379 [0,0,1,0,0,0|2,0,0]=3 49 B5R1.2 O=C1CNC1 BB20-3400 [0,0,0,0,1,0|1,0,0]=2 50 B7R1.3 BrC1CCCOC1 BB55-3590 [0,0,0,0,0,1|1,1,1]=4 51 B7R1.3 BrC1CCSCC1 BB57-4184 [0,0,0,0,0,1|1,0,1]=3 52 B7R1.3 CC1=CCNCC1 BB57-2457 [0,0,0,0,0,1|2,0,0]=3 53 B7R1.3 CC1CCOCC1 BB32-2892 [0,0,0,0,0,1|1,1,1]=4 54 B7R1.3 CC1CNCCO1 BB57-2444 [0,0,0,0,0,1|2,0,1]=4 55 B7R1.3 NC1CCCOC1 BB12-2177 [0,0,0,0,0,1|1,1,1]=4 56 B7R1.3 NC1CCNCC1 BB58-0821 [0,0,0,0,0,1|2,0,1]=4 57 B7R1.3 NC1CCOCC1 BB54-3533 [0,0,0,0,0,1|1,1,1]=4 58 B7R1.3 NN1CCSCC1 BB58-0517 [0,0,0,0,0,1|2,0,0]=3 59 B7R1.3 O=C1CNCCN1 BB54-4362 [0,0,0,0,0,1|1,0,0]=2 60 B7R1.3 O=C1CSCCN1 BB20-1255 [0,0,0,0,0,1|0,0,0]=1 61 B7R1.3 OC1CCOCC1 BB12-1171 [0,0,0,0,0,1|0,1,2]=4 62 B7R1.3 OC1CCSCC1 BB53-1540 [0,0,0,0,0,1|0,0,2]=3 63 B4R0.1 CCC(=N)N BB54-4123 [1,0,1,0,0,0|2,0,0]=4 64 B4R0.1 CSC(=N)N BB01-6974 [1,0,1,0,0,0|2,0,0]=4 65 B4R0.2 CCCNN BB58-2805 [1,0,1,0,0,0|2,0,0]=4 66 B4R0.2 CNCCCl BB57-4776 [1,0,1,0,0,0|2,0,0]=4 67 B4R0.2 CNCCI BB57-4692 [1,0,1,0,0,0|2,0,0]=4 68 B4R0.2 CSCCCl BB53-1396 [1,0,1,0,0,0|1,0,0]=3 69 B4R0.2 CSCCN BB12-0970 [1,0,1,0,0,0|1,0,0]=3 70 B6R0.1 CCNC(=O)CBr BB57-1139 [0,1,1,0,0,0|2,0,0]=4 71 B6R0.1 CNC(=O)CC#N BB12-1423 [0,1,1,0,0,0|1,0,1]=4 72 B6R0.1 CNC(=O)CCCl BB12-1619 [0,1,1,0,0,0|1,0,0]=3 73 B6R0.1 CNC(=O)CCN BB12-1715 [0,1,1,0,0,0|1,0,0]=3 74 B6R0.1 CNC(=O)CCO BB12-3660 [0,1,1,0,0,0|0,1,0]=3 75 B6R0.1 CNCC(=O)NC BB01-4880 [0,1,1,0,0,0|1,0,0]=3 76 B6R0.1 CNCC(=O)NN BB12-1497 [0,1,1,0,0,0|2,0,0]=4 77 B6R0.1 CNNC(=O)OC BB58-0264 [0,1,1,0,0,0|2,0,0]=4 78 B6R0.1 COC(=O)CCN BB12-2761 [0,1,1,0,0,0|1,0,0]=3 79 B6R0.1 COC(=O)CCO BB12-1300 [0,1,1,0,0,0|0,1,0]=3 80 B6R0.1 COCC(=O)NN BB55-2156 [0,1,1,0,0,0|1,1,0]=4 81 B6R0.1 CSC\C(N)=N\O BB12-3469 [0,1,1,0,0,0|1,0,1]=4 82 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,1,1,0,0,0|2,0,0]=4 83 B6R0.2 O=C(O)CC(F)F BB31-2950 [0,1,1,0,0,0|2,0,0]=4 84 B6R0.3 CCC(Br)C(N)=O BB55-8830 [0,1,1,0,0,0|2,0,0]=4 85 B6R0.3 CNC(C)C(=O)O BB57-2982 [0,1,1,0,0,0|2,0,0]=4 86 B6R0.3 COC(C)C(=O)O BB57-2927 [0,1,1,0,0,0|1,1,0]=4 87 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,1,1,0,0,0|1,0,0]=3 88 B6R0.3 NC(CCl)C(=O)O BB57-2456 [0,1,1,0,0,0|2,0,0]=4 89 B6R0.3 O=C(O)C(O)CCl BB57-6579 [0,1,1,0,0,0|2,0,0]=4 90 B6R0.4 CC(=O)NCC#N BB57-3731 [0,1,1,0,0,0|1,0,1]=4 91 B6R0.4 CCCNC(N)=O BB01-7603 [0,1,1,0,0,0|2,0,0]=4 92 B6R0.4 CCOCC(=O)Cl BB01-8267 [0,1,1,0,0,0|1,1,0]=4 93 B6R0.4 CCSCC(=O)O BB12-3264 [0,1,1,0,0,0|1,0,0]=3 94 B6R0.4 CNCCC(=O)O BB12-1452 [0,1,1,0,0,0|2,0,0]=4 95 B6R0.4 COCCC(=O)Cl BB20-1617 [0,1,1,0,0,0|1,1,0]=4 96 B6R0.4 COCCC(C)=O BB58-1056 [0,1,1,0,0,0|0,1,0]=3 97 B6R0.4 CSCCC(=N)N BB12-3715 [0,1,1,0,0,0|2,0,0]=4 98 B6R0.4 NC(=O)CCCCl BB57-2489 [0,1,1,0,0,0|2,0,0]=4 99 B6R0.4 NCCCC(N)=O BB57-4725 [0,1,1,0,0,0|2,0,0]=4 100 B6R0.5 CS(=O)(=O)CCCl BB53-1551 [0,1,1,0,0,0|2,0,0]=4 101 B6R0.5 CS(=O)(=O)CCN BB53-1620 [0,1,1,0,0,0|2,0,0]=4 102 B6R0.5 CS(=O)(=O)CCO BB53-1360 [0,1,1,0,0,0|1,1,0]=4 103 B6R0.6 CCCSCCN BB53-1582 [0,1,1,0,0,0|1,0,1]=4 104 B6R0.6 CCSCCNC BB12-0971 [0,1,1,0,0,0|1,0,1]=4 105 B6R1.6 CNC1CCC1 BB58-0080 [0,1,0,0,1,0|1,0,1]=4 106 B6R1.6 NCC1CCC1 BB12-1679 [0,1,0,0,1,0|1,0,1]=4 107 B6R1.10 CC1(N)CCC1 BB57-6091 [0,1,0,0,1,0|1,0,1]=4 108 B8R1.2 C#CC1=CCCCC1 BB54-2654 [0,1,0,0,0,1|2,0,0]=4 109 B8R1.2 CNC1CCSCC1 BB53-1643 [0,1,0,0,0,1|1,0,1]=4 110 B8R1.2 NCC1=CCCCC1 BB58-1949 [0,1,0,0,0,1|2,0,0]=4 111 B8R1.2 O=CC1=CCCOC1 BB54-4079 [0,1,0,0,0,1|0,1,0]=3 112 B8R1.2 O=CC1CC=CCC1 BB01-8334 [0,1,0,0,0,1|1,0,1]=4 113 B8R1.2 ON=C1CCCCC1 BB12-1685 [0,1,0,0,0,1|1,0,1]=4 114 B8R1.3 O=C1C=CC(O)OC1 BB54-5359 [0,1,0,0,0,1|0,1,1]=4 115 B8R1.3 O=C1CCS(=O)CC1 BB53-1536 [0,1,0,0,0,1|0,0,1]=3 116 B8R1.4 CC1CC(=O)CCN1 BB54-5684 [0,1,0,0,0,1|1,0,0]=3 117 B8R1.4 CC1CCCC(=O)N1 BB58-1969 [0,1,0,0,0,1|1,0,0]=3 118 B8R1.4 O=C1CNCC(=O)N1 BB57-3416 [0,1,0,0,0,1|1,0,1]=4 119 B8R1.4 O=C1COCC(=O)N1 BB57-3413 [0,1,0,0,0,1|0,1,1]=4 120 B8R1.5 CC1CNCCC1=O BB58-3122 [0,1,0,0,0,1|1,0,0]=3 121 B8R1.5 CC1OCCNC1=O BB58-1681 [0,1,0,0,0,1|0,1,0]=3 122 B8R1.5 CN1CCNCC1=O BB57-1025 [0,1,0,0,0,1|1,0,0]=3 123 B8R1.5 NC1CCCCC1=O BB58-4091 [0,1,0,0,0,1|1,0,0]=3 124 B8R1.5 O=C1CCOCC1O BB17-2979 [0,1,0,0,0,1|0,1,0]=3 125 B8R1.5 O=C1OCCCC1Br BB17-3008 [0,1,0,0,0,1|1,0,0]=3 126 B8R1.72 O=S1(=O)CCNCC1 BB12-1778 [0,1,0,0,0,1|2,0,0]=4 127 B8R1.1 O=C1CC(CO)CN1 BB57-1047 [0,2,0,0,0,0|2,0,0]=4 128 B8R1.1 O=C1CCC(CBr)O1 BB58-1167 [0,2,0,0,0,0|2,0,0]=4 129 B8R1.1 O=C1CCC(CCl)O1 BB54-5256 [0,2,0,0,0,0|2,0,0]=4 130 B8R1.7 CC(=O)C1CCCC1 BB55-6362 [0,2,0,0,0,0|1,0,1]=4 131 B8R1.11 CCC1CCCC1=O BB12-2911 [0,2,0,0,0,0|1,0,0]=3 132 B8R1.18 CC1SC(N)=NC1=O BB12-3915 [0,2,0,0,0,0|1,0,1]=4 133 B8R1.18 CN1CC(N)CC1=O BB58-3545 [0,2,0,0,0,0|2,0,0]=4 134 B8R1.50 CN1CCC(Br)C1=O BB58-3454 [0,2,0,0,0,0|2,0,0]=4 135 B8R1.50 CN1CCC(N)C1=O BB58-3639 [0,2,0,0,0,0|2,0,0]=4 136 B8R1.51 CC1(C)CC(=O)CO1 BB58-3838 [0,2,0,0,0,0|0,1,0]=3 137 B8R1.51 CC1(C)CCC(=O)N1 BB12-1604 [0,2,0,0,0,0|2,0,0]=4 138 B8R1.51 CC1(C)CNC(=O)C1 BB58-3757 [0,2,0,0,0,0|2,0,0]=4 139 B8R1.51 NC1CCS(=O)(=O)C1 BB12-2525 [0,2,0,0,0,0|2,0,0]=4 140 B8R1.19 CC1(C)OCCC1=O BB58-3943 [0,2,0,0,0,0|0,1,0]=3 141 B8R1.22 O=C1CCOCCN1 BB20-4217 [0,0,0,0,0,2|0,1,0]=3 142 B8R1.22 O=C1CCSCCN1 BB57-4185 [0,0,0,0,0,2|0,0,0]=2