0 B10R1.17 O=CNCC1=CC=NC=C1 F1984-0354 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 O=CNCC1=CN=CC=C1 F1984-0345 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 OCCOC1=CN=CC=C1 F8881-3377 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.17 OCCOC1=NC=CC=C1 F2147-2323 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.8 BrCCC1=CC=CN=C1 F1910-8458 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 BrCCC1=CC=NC=C1 F8888-4183 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 O=CNC1=CC=NC=C1 F1984-0331 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.1 C#CCNC1=CC=C(Cl)C=C1 F0722-1191 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.1 C#CCSC1=CC=C(Br)C=C1 F8882-5004 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.1 CC1=CC=C(CCCN)C=C1 F9995-2107 [0,1,0,0,0,0|1,0,1]=3 10 B11R1.1 CCNCC1=CC=C(C)C=C1 F8886-2457 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.1 NC1=CC=C(OCCF)C=C1 F1967-9263 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.1 NCCCC1=CC=C(F)C=C1 F9995-2095 [0,1,0,0,0,0|1,0,1]=3 13 B11R1.1 NCCSC1=CC=C(F)C=C1 F2167-1450 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.16 C#CCC(N)C1=CC=CC=C1 F2147-2834 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.16 C#CCC(N)C1=CC=CC=C1 F2147-3755 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.17 C=CCNC1=C(N)C=CC=C1 F8883-4159 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.17 CC1=C(CCCN)C=CC=C1 F9995-2099 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.17 CCCNC1=C(N)C=CC=C1 F1911-3709 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.17 NC1=CC=CC=C1NCCO F1911-3666 [0,1,0,0,0,0|1,0,2]=4 20 B11R1.17 NCCCN1C=CC=CC1=O F8888-5679 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.17 NCCNC1=CC=CC=C1N F2147-0178 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.24 C=CCCC1=CC(O)=NC=N1 F1967-3802 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.24 CC1=CC=CC(CCCN)=C1 F9995-2103 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.24 NCCCC1=CC=CC(Cl)=C1 F9995-2043 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.24 [N-]=[N+]=NCC1=CC=CC(Br)=C1 F8882-0567 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.28 COCCNC1=CC=NC=C1 F2189-0530 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.28 ClCCNCC1=CC=CC=C1 F2147-1494 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.40 CC(CN)SC1=CC=CC=C1 F2167-1751 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.40 CCC(N)CC1=NC=CC=C1 F8882-1601 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.91 NC(=O)NCC1=NC=CC=C1 F1967-1592 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.91 O=C(O)COC1=NC=CC=C1 F2147-1058 [0,1,0,0,0,0|2,0,0]=3 32 B11R2.1 ClC1=C2C=CC=CC2=NS1 F1902-0038 [0,0,0,1,0,0|3,0,0]=4 33 B11R2.1 O=C1SNC2=CC=CC=C12 F2147-0250 [0,0,0,1,0,0|2,0,0]=3 34 B11R2.20 C1=CN=C2NCCCC2=C1 F1913-3718 [0,0,0,1,0,0|2,0,1]=4 35 B11R2.239 C1=CC=C(C2CCN2)C=C1 F2148-2227 [0,0,0,1,0,0|1,0,1]=3 36 B9R1.12 O=CNCC1=CC=CO1 F1984-0347 [0,0,0,0,1,0|2,0,0]=3 37 B10R1.1 O=CNC1=CC=C(Br)C=C1 F2108-0262 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.4 C=CCN1C=CC=CC1=O F8885-7163 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.4 CCNC1=CC=CC=C1N F1911-3685 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.4 CNCC1=C(O)C=CC=C1 F2169-1257 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.4 O=C1C=CC=CN1CCCl F1906-0095 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.4 O=C1C=CC=CN1CCCl F8889-9304 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.4 O=CCC1=C(Br)C=CC=C1 F8883-7724 [1,1,0,0,0,0|0,0,0]=2 44 B10R1.15 NC(CCl)C1=CC=CC=C1 F2185-0694 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.15 NCC(O)C1=CC=NC=C1 F2189-0707 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.15 NCC(O)C1=NC=CC=C1 F2189-0706 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.15 NCC(O)C1=NC=CC=C1 F2189-0715 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.18 O=C(O)CC1=NC=CC=C1 F1967-3208 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.21 C=CCNCC1=CC=CS1 F2158-0934 [0,1,0,0,1,0|2,0,0]=4 50 B10R1.66 O=C(O)CCC1=CNN=C1 F2198-2672 [0,1,0,0,1,0|2,0,0]=4 51 B12R1.1 CNCCOC1=CC=C(Cl)C=C1 F2167-1395 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.1 CNCCOC1=CC=C(F)C=C1 F3310-1160 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.16 CC1=CC=C(C(O)CCN)C=C1 F2189-0787 [0,2,0,0,0,0|1,0,1]=4 54 B12R1.16 CNCC(O)C1=CC=C(Cl)C=C1 F2148-0785 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.16 NCCC(O)C1=CC=C(F)C=C1 F2189-0747 [0,2,0,0,0,0|1,0,1]=4 56 B12R1.21 O=C(Cl)COC1=CC=C(F)C=C1 F2190-0107 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.21 O=C(O)COC1=NC=C(Br)C=C1 F8885-6450 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.3 CCC(CNC)C1=CC=CC=C1 F1911-1836 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.3 N#CCC(CN)C1=CC=CC=C1 F2147-4292 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.17 CCCC(N)C1=CC(Cl)=CC=C1 F2167-1936 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.17 CNCC(O)C1=CC(Cl)=CC=C1 F2148-0798 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.17 CNCC(O)C1=CC(F)=CC=C1 F2148-0790 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.17 NCCC(O)C1=CC(Br)=CC=C1 F2189-0762 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.17 NCCC(O)C1=CC=CC(F)=C1 F2189-0746 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 F2167-2038 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.308 CC1=CC=CC=C1C(O)CCN F2189-0725 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.308 CCCC(N)C1=CC=CC=C1Cl F2167-1943 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.308 CNCC(O)C1=CC=CC=C1C F2148-0795 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.308 CNCC(O)C1=CC=CC=C1F F2148-0786 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.308 NCCC(O)C1=C(Br)C=CC=C1 F2189-0776 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.308 NCCC(O)C1=CC=CC=C1F F2189-0829 [0,2,0,0,0,0|1,0,1]=4 72 B12R1.121 CNCCC1=C(OC)C=CC=C1 F1911-1794 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.125 CC(=O)\C=C\C1=C(O)C=CC=C1 F0400-0013 [0,2,0,0,0,0|0,0,2]=4 74 B12R1.125 NC1=C(OCC(=O)O)C=CC=C1 F0465-0010 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.267 CCCCNC1=C(N)C=CC=C1 F8882-1552 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.267 CNCCOC1=C(Cl)C=CC=C1 F2167-1394 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.267 CNCCOC1=C(F)C=CC=C1 F3377-0290 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.267 NC1=CC=CC=C1NCCCO F1911-3661 [0,2,0,0,0,0|0,0,2]=4 79 B12R1.28 CNCCOC1=CC(F)=CC=C1 F3377-0289 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.226 CC1=CC=CC(NCC(=O)O)=C1 F2118-0019 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.226 CC1=NC(SCC(=O)O)=CC=C1 F0213-0004 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.382 CNCCC1=CC(OC)=CC=C1 F1911-1798 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.8 CNCCNCC1=CC=CC=C1 F2147-1245 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.8 [N-]=[N+]=NCCOC1=CC=CC=C1 F1901-3153 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.27 CCC(N)CSC1=CC=CC=C1 F2167-1575 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.27 NCC(O)CCC1=CC=CC=C1 F2189-0850 [0,2,0,0,0,0|0,0,2]=4 87 B12R1.27 NNC(=O)CSC1=CC=CC=C1 F0465-0058 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 F0176-0214 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.32 CC(CC1=CC=CC=C1)N=[N+]=[N-] F1907-3348 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.252 O=C(Cl)CCSC1=CC=CC=C1 F2158-0702 [0,2,0,0,0,0|0,0,0]=2 91 B12R1.252 O=C(Cl)CSCC1=CC=CC=C1 F2190-0108 [0,2,0,0,0,0|0,0,0]=2 92 B12R1.252 O=C(O)CSCC1=NC=CC=C1 F8888-0081 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.43 CC(C)C(N)CC1=CC=CC=C1 F8882-3147 [0,2,0,0,0,0|1,0,1]=4 94 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 F2147-6111 [0,2,0,0,0,0|1,0,1]=4 95 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 F8884-1429 [0,2,0,0,0,0|0,0,2]=4 96 B10R2.32 O=C1CCN2C=CC=C12 F1675-0059 [0,0,0,1,1,0|1,0,0]=3 97 B12R2.24 NC1=CC=C2CNCCC2=C1 F1913-1629 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 F1285-0717 [0,1,0,1,0,0|1,0,0]=3 99 B12R2.24 O=C1CCC2=CC=CN=C2N1 F2147-4913 [0,1,0,1,0,0|1,0,0]=3 100 B12R2.2302 OC1=CC=C(C2CCC2)C=C1 F8880-2934 [0,1,0,1,0,0|1,0,1]=4 101 B12R2.1081 NC1=C2CCNCC2=CC=C1 F1967-3213 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.1081 NC1CCSC2=CC=CC=C21 F0451-0860 [0,1,0,1,0,0|0,1,1]=4 103 B12R2.32 NCC1CC2=C(C=CC=C2)C1 F8888-5310 [0,1,0,1,0,0|1,0,1]=4 104 B12R2.32 NCC1CC2=C(C=CC=C2)C1 F8889-1613 [0,1,0,1,0,0|1,0,1]=4 105 B12R2.32 NCC1CC2=C(C=CC=C2)O1 F8881-5515 [0,1,0,1,0,0|1,0,1]=4 106 B12R2.32 NCC1CC2=CC=CC=C2O1 F1989-0092 [0,1,0,1,0,0|1,0,1]=4 107 B12R2.32 O=CC1CC2=C(C=CC=C2)C1 F8888-3695 [0,1,0,1,0,0|0,0,0]=2 108 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 F2167-3915 [0,1,0,1,0,0|2,0,0]=4 109 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 F9994-0685 [0,1,0,1,0,0|0,0,0]=2