0 B12R1.252 CC(N)CNCC1=CC=CC=C1 F1904-0468 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.28 [N-]=[N+]=NCCC1=CC=CC=C1 F2157-0470 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.45 CC(C)CCC(N)C1=CC=CC=C1 F2167-1980 [0,1,0,0,0,0|2,0,1]=4 3 B13R1.149 CC1=CC(NCCC(=O)O)=NC=N1 F1911-0067 [0,1,0,0,0,0|3,0,0]=4 4 B13R1.149 O=C(O)CCNC1=CC(Cl)=NC=N1 F1908-2460 [0,1,0,0,0,0|3,0,0]=4 5 B13R1.158 NC1=CC=CC=C1NCCC(=O)O F1911-3657 [0,1,0,0,0,0|1,0,0]=2 6 B13R1.158 O=C(O)CCNC1=NC=CN=C1Cl F1908-2484 [0,1,0,0,0,0|3,0,0]=4 7 B13R1.348 CC(=O)CC(=S)NC1=CC=CC=C1 F1971-0025 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.351 CC(CNC1=CC=CC=C1)[N+](=O)[O-] F1904-0487 [0,1,0,0,0,0|2,0,1]=4 9 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O F2147-1320 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O F2147-2085 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.351 NC(CCC1=NC=CC=C1)C(=O)O F2147-2086 [0,1,0,0,0,0|1,0,0]=2 12 B13R1.351 NC(COC1=CC=NC=C1)C(=O)O F2197-6692 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.351 NC(COC1=NC=CC=C1)C(=O)O F2197-6677 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.351 NC(COC1=NC=CC=N1)C(=O)O F2197-6694 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.351 NC(COC1=NC=CN=C1)C(=O)O F2197-6676 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.351 NC(COC1=NC=NC=C1)C(=O)O F2197-6755 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.351 O=C(O)C(F)CCC1=CC=CC=C1 F2147-5958 [0,1,0,0,0,0|0,0,0]=1 18 B13R1.718 FC(CBr)CCCC1=CC=CC=C1 F2147-5969 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.718 NCC(F)CCCC1=CC=CC=C1 F2147-5970 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.718 OCC(F)CCCC1=CC=CC=C1 F2147-5968 [0,1,0,0,0,0|1,0,1]=3 21 B13R2.10 OC1CNC(C2=CC=CC=C2)C1 F8883-6146 [0,0,0,1,0,0|2,0,1]=4 22 B13R2.31 O[C@H]1C[C@H](OC2=CC=CC=C2)C1 F1913-1448 [0,0,0,1,0,0|2,0,1]=4 23 B13R2.72 O=C(O)C1=NSC2=C1C=CC=C2 F8886-2549 [0,0,0,1,0,0|2,0,1]=4 24 B13R2.163 CC1CNCC2=CC=CC=C2O1 F2147-2887 [0,0,0,1,0,0|2,0,1]=4 25 B13R2.163 O=C1CNCC2=CC=CN=C2N1 F2167-6269 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.423 O=C(O)C1CC1C2=CN=CC=C2 F8880-4390 [0,0,0,1,0,0|1,0,0]=2 27 B11R1.91 NC(=O)NNC1=CC=CC=C1 F0001-0078 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.91 O=C(O)COC1=CC=NC=C1 F8885-6418 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.91 O=C(O)COC1=NC=CN=C1 F8885-7124 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.91 O=C(O)COC1=NC=NC=C1 F2197-7738 [0,0,0,0,1,0|3,0,0]=4 31 B11R1.172 O=C(O)COCC1=CN=CS1 F2167-6227 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.172 O=C(O)COCC1=COC=N1 F2167-5757 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.172 O=C(O)COCC1=NC=CS1 F2167-5470 [0,0,0,0,1,0|3,0,0]=4 34 B13R1.337 CC(F)CNCCC1=CC=CC=C1 F1913-6493 [0,0,0,0,0,1|2,0,1]=4 35 B13R1.337 CC(N)CNCCC1=CC=CC=C1 F1904-0576 [0,0,0,0,0,1|2,0,1]=4 36 B10R1.17 FCCNC1=CC=CC=C1 F1913-6489 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.17 NOCCC1=CC=CC=C1 F1631-0190 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.17 OCCCC1=CN=CN=C1 F9995-1315 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.8 FCCNCCC1=CC=CC=C1 F1913-6494 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.8 NCCCCSC1=CC=CC=C1 F2167-1638 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.8 [N-]=[N+]=NCCCC1=CC=CC=C1 F2157-0486 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.27 FC(CBr)CCC1=CC=CC=C1 F2147-5960 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.27 NCC(F)CCC1=CC=CC=C1 F2147-5961 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.27 OCC(F)CCC1=CC=CC=C1 F2147-5959 [1,1,0,0,0,0|0,0,1]=3 45 B12R1.30 C=CCCC(N)C1=CC=CC=C1 F2147-8745 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.30 C=CCCC(N)C1=CC=CC=C1 F2147-8746 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.30 C=CCC[C@@H](N)C1=CC=CC=C1 F1913-5354 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.30 C=CCC[C@H](N)C1=CC=CC=C1 F1913-5355 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.30 CCCCC(N)C1=CC=CC=C1 F2167-1948 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.32 CNCC(F)CC1=CC=CC=C1 F2147-5623 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.32 NN(CCO)CC1=CC=CC=C1 F1907-8514 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.21 CC1=CN=C(OCC(=O)O)C=C1 F2197-7683 [0,1,0,0,1,0|2,0,0]=4 53 B12R1.21 NC(=O)CNC1=CC=C(F)C=C1 F2183-0615 [0,1,0,0,1,0|2,0,0]=4 54 B12R1.21 O=C(O)COC1=NC=C(Cl)C=C1 F8885-6339 [0,1,0,0,1,0|2,0,0]=4 55 B12R1.43 CC(CC1=CN=CN=C1)C(=O)O F8884-9364 [0,1,0,0,1,0|2,0,0]=4 56 B12R1.43 CC(OC1=CC=NC=C1)C(=O)O F2197-7574 [0,1,0,0,1,0|2,0,0]=4 57 B12R1.43 CC(OC1=NC=CC=C1)C(=O)O F2197-7559 [0,1,0,0,1,0|2,0,0]=4 58 B12R1.43 O=C(O)C(F)CC1=CC=CC=C1 F2147-5620 [0,1,0,0,1,0|0,0,0]=2 59 B12R1.43 O=C(O)C(F)CC1=CC=CC=N1 F1913-0171 [0,1,0,0,1,0|1,0,0]=3 60 B12R1.43 O=C(O)C(F)CC1=CC=CN=C1 F1913-0148 [0,1,0,0,1,0|1,0,0]=3 61 B12R1.43 O=C(O)C(F)CC1=CC=NC=C1 F1913-0172 [0,1,0,0,1,0|1,0,0]=3 62 B12R1.125 CC1=C(OCC(=O)O)C=CN=C1 F8887-1007 [0,1,0,0,1,0|2,0,0]=4 63 B12R1.125 CC1=C(OCC(=O)O)N=CC=C1 F8887-1006 [0,1,0,0,1,0|2,0,0]=4 64 B12R1.125 NC(=O)CNC1=CC=CC=C1N F1911-3752 [0,1,0,0,1,0|2,0,0]=4 65 B12R1.125 NC1=CC=CC=C1NCC(=O)O F1911-3689 [0,1,0,0,1,0|1,0,0]=3 66 B12R1.125 O=C(O)COC1=C(Br)C=CC=N1 F8885-7130 [0,1,0,0,1,0|2,0,0]=4 67 B12R1.125 O=C(O)COC1=C(Br)C=NC=C1 F2197-7757 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.125 O=C(O)COC1=C(Cl)C=CC=N1 F8885-6434 [0,1,0,0,1,0|2,0,0]=4 69 B12R1.125 O=C(O)COC1=C(Cl)C=NC=C1 F2197-7690 [0,1,0,0,1,0|2,0,0]=4 70 B12R1.125 O=C(O)COC1=CC=CN=C1Br F2124-0984 [0,1,0,0,1,0|2,0,0]=4 71 B12R1.226 CC1=CC(OCC(=O)O)=NC=C1 F8885-7126 [0,1,0,0,1,0|2,0,0]=4 72 B12R1.226 CC1=NC(OCC(=O)O)=CC=C1 F8885-7123 [0,1,0,0,1,0|2,0,0]=4 73 B12R1.226 CC1=NC=CC(OCC(=O)O)=C1 F2197-7700 [0,1,0,0,1,0|2,0,0]=4 74 B12R1.264 NC(CCC1=CC=CS1)C(=O)O F2147-2065 [0,1,0,0,1,0|1,0,0]=3 75 B12R1.264 NC(CCN1C=CC=N1)C(=O)O F2147-2991 [0,1,0,0,1,0|2,0,0]=4 76 B14R1.148 CC1=CC(NCCCC(=O)O)=NC=N1 F3308-2629 [0,1,0,0,0,1|2,0,0]=4 77 B14R1.148 O=C(O)CCCNC1=CC(Cl)=NC=N1 F1907-8703 [0,1,0,0,0,1|2,0,0]=4 78 B14R1.159 NC1=CC=CC=C1NCCCC(=O)O F1911-3665 [0,1,0,0,0,1|0,0,0]=2 79 B14R1.159 O=C(O)CCCNC1=NC=CN=C1Cl F1907-8727 [0,1,0,0,0,1|2,0,0]=4 80 B14R1.677 CC1=CC=C(SCCCC(=O)O)C=C1 F2182-0129 [0,1,0,0,0,1|0,0,0]=2 81 B14R1.716 OCC(F)CCOCC1=CC=CC=C1 F2147-5950 [0,1,0,0,0,1|1,0,1]=4 82 B14R1.818 CC(CC(=O)O)NCC1=CC=CN=C1 F1911-3157 [0,1,0,0,0,1|1,0,0]=3 83 B14R1.818 CC(CC(=O)O)NCC1=CC=NC=C1 F1911-3265 [0,1,0,0,0,1|1,0,0]=3 84 B14R1.3331 O=S(=O)(Cl)CCCSC1=CC=CC=C1 F9995-2222 [0,1,0,0,0,1|1,0,1]=4 85 B14R1.6449 CC(CNCC1=CC=CC=C1)[N+](=O)[O-] F1904-0467 [0,1,0,0,0,1|1,0,1]=4 86 B14R1.6449 NC(C\C=C\C1=CC=CC=C1)C(=O)O F2147-6521 [0,1,0,0,0,1|0,0,1]=3 87 B14R1.6449 O=C(O)C(Br)COCC1=CC=CC=C1 F1913-0561 [0,1,0,0,0,1|0,0,0]=2 88 B14R1.6449 O=C(O)C(F)CCCC1=CC=CC=C1 F2147-5967 [0,1,0,0,0,1|0,0,0]=2 89 B14R1.415 NC(CC(N)C1=CC=CC=C1)C(=O)O F2185-0893 [0,2,0,0,0,0|0,0,0]=2 90 B14R1.5956 CC1=CC(OCC(N)C(=O)O)=NC=C1 F2197-6680 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.5956 CC1=CC=CC(OCC(N)C(=O)O)=N1 F2197-6678 [0,2,0,0,0,0|2,0,0]=4 92 B14R1.5956 CC1=NC=CC(OCC(N)C(=O)O)=C1 F2197-6711 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.161 CC1=C(OCC(N)C(=O)O)C=CN=C1 F2197-6774 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.161 CC1=CC=CN=C1OCC(N)C(=O)O F2197-6681 [0,2,0,0,0,0|2,0,0]=4 95 B14R1.161 NC(COC1=C(Br)C=CC=N1)C(=O)O F2197-6688 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.161 NC(COC1=C(Br)C=NC=C1)C(=O)O F2197-6775 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.161 NC(COC1=C(Cl)C=CC=N1)C(=O)O F2197-6686 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.161 NC(COC1=C(Cl)C=NC=C1)C(=O)O F2197-6693 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.743 CN(CC1=CC=CC=C1)C\C(N)=N\O F1908-1652 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.679 CC1=CN=C(OCC(N)C(=O)O)C=C1 F2197-6679 [0,2,0,0,0,0|2,0,0]=4 101 B14R1.679 NC(CCC1=CC=C(F)C=C1)C(=O)O F2147-2053 [0,2,0,0,0,0|0,0,0]=2 102 B14R1.679 NC(COC1=NC=C(Br)C=C1)C(=O)O F2197-6689 [0,2,0,0,0,0|2,0,0]=4 103 B14R1.679 NC(COC1=NC=C(Cl)C=C1)C(=O)O F2197-6687 [0,2,0,0,0,0|2,0,0]=4 104 B14R1.756 COC(=O)C(N)COC1=CC=CN=C1 F2167-2317 [0,2,0,0,0,0|2,0,0]=4 105 B14R1.756 COC(=O)C(N)COC1=CC=NC=C1 F2197-6440 [0,2,0,0,0,0|2,0,0]=4 106 B14R1.756 COC(=O)C(N)COC1=NC=CC=C1 F2197-6425 [0,2,0,0,0,0|2,0,0]=4 107 B14R1.756 COC(=O)C(N)CSC1=CC=CC=C1 F2167-1486 [0,2,0,0,0,0|1,0,0]=3 108 B14R1.756 COC(=O)C(N)CSC1=NC=CC=C1 F2167-1490 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.6395 O=C(O)C(F)(F)C#CC1=CC=CC=C1 F2147-8033 [0,2,0,0,0,0|0,0,2]=4 110 B14R1.6395 O=C(O)C(F)(F)CCC1=CC=CC=C1 F2147-8036 [0,2,0,0,0,0|0,0,0]=2 111 B14R1.292 CC(C)(CO)CCCC1=CC=CC=C1 F2147-6432 [0,2,0,0,0,0|1,0,1]=4 112 B12R2.23 O=C1CCC1C2=CC=CC=C2 F8880-8488 [1,0,0,1,0,0|0,0,0]=2 113 B12R2.27 C#C[C@@H]1C[C@H]1C2=CC=CC=C2 F2147-8453 [1,0,0,1,0,0|1,0,1]=4 114 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 F8889-8565 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.1362 O=C(O)C1CCN2C=CC=C12 F2147-3431 [0,0,0,1,1,0|1,0,0]=3 116 B14R2.21 O=C1CC(C2=CC=NC=C2)CCN1 F1913-5619 [0,0,0,1,0,1|2,0,0]=4 117 B14R2.334 C[C@]1(O)CC[C@@H]1NC2=CC=CC=C2 F1910-7856 [0,0,0,1,0,1|1,0,1]=4 118 B14R2.334 C[C@]1(O)CC[C@@H]1OC2=CC=CC=C2 F1910-7964 [0,0,0,1,0,1|1,0,1]=4 119 B14R2.436 O=C1CC(COC2=CC=CC=C2)C1 F2147-4876 [0,0,0,1,0,1|1,0,0]=3 120 B14R2.436 O=C1CC(COC2=CC=NC=C2)C1 F2147-4411 [0,0,0,1,0,1|2,0,0]=4 121 B14R2.436 O=C1CC(COC2=NC=CC=C2)C1 F2147-4393 [0,0,0,1,0,1|2,0,0]=4 122 B14R2.436 OC1CN(CCC2=CC=CC=C2)C1 F1908-2265 [0,0,0,1,0,1|1,0,1]=4 123 B14R2.780 O=C(O)[C@@H]1CC[C@H]1C2=CC=CC=C2 F2147-2719 [0,0,0,1,0,1|0,0,0]=2 124 B14R2.5495 O=S1(=O)CCNCC2=CC=CC=C21 F2147-4279 [0,0,0,1,0,1|1,0,1]=4 125 B14R2.31359 O=C(O)C1CCOC2=C1C=CC=C2 F8880-1338 [0,0,0,1,0,1|0,0,0]=2 126 B14R2.68 O=C1COC(C2=CC=CC=N2)CN1 F2147-3361 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.68 O=C1COC(C2=CC=CN=C2)CN1 F2147-3362 [0,1,0,1,0,0|2,0,0]=4 128 B14R2.68 O=C1COC(C2=CC=NC=C2)CN1 F2147-3363 [0,1,0,1,0,0|2,0,0]=4 129 B14R2.287 NC1CCC(=O)NC2=C1C=CC=C2 F2147-4062 [0,1,0,1,0,0|1,0,0]=3 130 B14R2.287 O=C1CCC(O)C2=C(C=CC=C2)N1 F2147-4060 [0,1,0,1,0,0|1,0,0]=3 131 B14R2.779 O=C(O)[C@H]1C[C@@H](C2=CC=CC=C2)C1 F1913-6345 [0,1,0,1,0,0|0,0,0]=2 132 B14R2.29285 O=S1(=O)CCC(O)C2=CC=CC=C21 F1974-0033 [0,1,0,1,0,0|1,0,1]=4 133 B14R2.22 O=C1CC(C2=CC=CC(O)=C2)CN1 F2147-3359 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.22 O=C1NCC(C2=CC(Br)=CC=C2)O1 F2147-3332 [0,1,0,1,0,0|1,0,0]=3 135 B14R2.4476 O=C(O)C1CC1C2=CC(F)=CC=C2 F8880-7584 [0,1,0,1,0,0|0,0,0]=2 136 B14R2.256 NC1=CC=CC=C1N2CCC(=O)C2 F1911-3804 [0,1,0,1,0,0|2,0,0]=4 137 B14R2.256 O=C1CC(C2=C(Br)C=CC=C2)CN1 F2147-3356 [0,1,0,1,0,0|2,0,0]=4 138 B14R2.256 O=C1CC(C2=CC=CC=C2O)CN1 F2147-3360 [0,1,0,1,0,0|2,0,0]=4 139 B14R2.256 O=C1NCC(C2=C(Br)C=CC=C2)O1 F2147-3331 [0,1,0,1,0,0|1,0,0]=3 140 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)S1 F1913-6727 [0,1,0,1,0,0|0,0,0]=2 141 B14R2.598 O=C1CC(=O)C(C2=CC=CC=C2)N1 F2147-2480 [0,1,0,1,0,0|1,0,1]=4 142 B14R2.20 O=C1NCC(C2=CC=C(Br)C=C2)O1 F2147-3333 [0,1,0,1,0,0|1,0,0]=3 143 B14R2.4514 O=C1NCC(C2=CC=CC=C2)C1F F2147-5472 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.66 O=C(O)CCC1=CSC=N1 F2173-0029 [0,0,0,0,2,0|2,0,0]=4