0 B12R1.16 CCOC(=N)C1=CC=C(F)C=C1 91787 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.16 CCOC(=O)C1=NN=C(O)C=C1 78700 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.16 COCC(=O)C1=CC=C(O)C=C1 C74644 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.16 O=CNC(=O)C1=CC=C(Cl)C=C1 E72630 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.1 CCCOC1=CC=C(N)C=C1 71058 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.1 NC1=CC=C(CCCO)C=C1 A50572 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y12255 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.16 CNOC(=O)C1=CC=CC=C1 T70697 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.22 CCN(N)C1=CC=C(C)C=C1 D90542 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.22 CC[C@H](O)C1=CC=C(C)C=C1 N12074 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.22 CC[C@H](O)C1=CC=C(Cl)C=C1 N12135 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.22 CC[C@H](O)C1=CC=C(F)C=C1 N11970 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.22 COC(=O)C1=CC=[N+](C)C=C1 D86930 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.22 COC(=O)C1=CNC(=N)N=C1 W16683 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.22 COC(=O)C1=CNC(=O)C=C1 AB9697 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.22 COC(=O)C1=CNC(=O)C=N1 W16685 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 23340 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 75255 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.22 [CH2]C1=CC=C(C(=O)OC)C=C1 D77411 [1,0,0,0,0,0|1,0,0]=2 19 B13R1.17 C=CCOC(=O)C1=CC=C(N)C=C1 H11913 [0,1,0,0,0,0|0,0,1]=2 20 B13R1.17 CCCNC(=O)C1=CC=C(F)C=C1 21276 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.17 NCCNC(=O)C1=CC=C(F)C=C1 F21224 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.17 O=C(CCCCl)C1=CC=C(Br)C=C1 O10286 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.29 CCNS(=O)(=O)C1=CC=C(N)C=C1 AT23141 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.132 CC(C)NC(=O)C1=NC=C(Br)C=C1 C16456 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.132 CC(C)OC(=O)C1=CC=C(N)C=C1 D88237 [0,1,0,0,0,0|0,0,0]=1 26 B13R1.466 CCOC(=O)C1=CC(Br)=C(Cl)C=C1 N12337 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.466 CCOC(=O)C1=CC(F)=C(I)C=C1 D75340 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.466 CCOC(=O)C1=CC(I)=C(O)C=C1 11290 [0,1,0,0,0,0|1,0,0]=2 29 B13R2.520 O=C(C1=CC=C(Cl)C=C1)C2CC2 D89446 [0,0,0,1,0,0|2,0,0]=3 30 B13R2.5179 NC1=NC2=C(C=N1)C(=O)CCC2 31224 [0,0,0,1,0,0|3,0,0]=4 31 B13R2.5179 O=C1CCCC2=C1C=CC(O)=N2 F10675 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.5187 C[C@@H]1OC(=O)C2=C1C=C(F)C=C2 C92544 [0,0,0,1,0,0|1,0,0]=2 33 B11R1.15 CCOC(=O)C1=CC=C(C)O1 F16826 [0,0,0,0,1,0|2,0,0]=3 34 B11R1.15 CCOC(=O)C1=CN(C)C=C1 AC6616 [0,0,0,0,1,0|2,0,0]=3 35 B11R1.15 CCOC(=O)C1=CNC(S)=N1 D82357 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.15 CCOC(=O)C1=CSC(N)=N1 78387 [0,0,0,0,1,0|2,0,0]=3 37 B11R1.15 CCOC(=O)C1=NC(C)=CS1 69755 [0,0,0,0,1,0|3,0,0]=4 38 B13R1.19 CC1=CC=C(NC(=O)CCO)C=C1 L10103 [0,0,0,0,0,1|3,0,0]=4 39 B13R1.19 CCOC(=O)NC1=CC=C(O)C=C1 AB9284 [0,0,0,0,0,1|1,0,0]=2 40 B13R1.19 CCOC(=O)NC1=CN=C(Cl)C=C1 AC7161 [0,0,0,0,0,1|2,0,0]=3 41 B13R1.19 O=C(CCBr)NC1=CC=C(Br)C=C1 D87615 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.1 CCCC1=CC=C(C)C=C1 D92007 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.1 CCNC1=CC=C(C)C=C1 D90452 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.1 CCOC1=CC=C(Cl)C=C1 D89219 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.1 CCOC1=CC=C(S)C=C1 AT20902 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.1 CCOC1=NC=C(F)C=C1 D74953 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.1 CCOC1=NC=C(N)C=C1 O11589 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.17 CCC#CC1=CC=CC=C1 D91952 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.15 CCN(N)C1=CC=CC=C1 F14622 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.15 CC[C@H](C)C1=CC=CC=C1 N11903 [2,0,0,0,0,0|1,0,1]=4 51 B10R1.15 COC(=N)C1=NC=CC=C1 77277 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.15 O=C(CBr)C1=NC=CC=C1 S10662 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.15 O=C(CCl)C1=NC=CC=C1 H11612 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 AC1305 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.13 CC1=CC=C([S@](=O)O)C=C1 F21290 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.13 CC1=CN=C(C(=O)O)C=C1 23539 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.13 CN(C)C1=CC=C(N)C=C1 D89717 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 34960 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.13 O=C(O)C1=CN=C(S)C=C1 N12019 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.13 O=C1C=CC(C(=O)O)=CN1 P10104 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 D82516 [2,0,0,0,0,0|2,0,0]=4 62 B12R1.1 CNCCOC1=CC=C(N)C=C1 C78105 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 D85905 [1,1,0,0,0,0|0,0,0]=2 64 B12R1.17 CCOC(=O)C1=CN=CC(O)=C1 70809 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 D87530 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.30 C=CCOC(=O)C1=CC=NC=C1 D91085 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.30 CCCCC(=O)C1=CN=CC=C1 N12060 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.30 O=C(NCCO)C1=CC=CC=C1 V10315 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.34 CNC(=O)C(=O)C1=CC=CC=C1 E72128 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 L10184 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.308 CCCC(=O)C1=NC=CC=C1C N12473 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.308 CCOC(=O)C1=C(Cl)C=CN=C1 I11421 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 84695 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.308 CCOC(=O)C1=C(O)N=NC=C1 30510 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.308 CCOC(=O)C1=CC=CNC1=O C90445 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.308 CCOC(=O)C1=CNC=CC1=O D83257 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.5 CC[N+]1=CC=C(C(=O)OC)C=C1 D90496 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.5 COC(=O)C1=NC=C(CN)C=C1 57135 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 W17814 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(F)C=C1 96354 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.367 CC1=C(Br)C=CC(C(=O)CBr)=C1 W17012 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.367 CC1=C(O)C=CC(C(=O)CBr)=C1 C15775 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.367 COC(=O)C1=CC(Br)=C(O)N=C1 BL005619 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.367 COC(=O)C1=CNC(=O)C(C)=C1 D86968 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.367 NCC(=O)C1=CC(Cl)=C(Cl)C=C1 93654 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.1703 COC(=O)C1=NC=C(N)N=C1N C90405 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.1703 O=C(CBr)C1=C(F)C=C(Br)C=C1 67274 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.1703 O=C(CBr)C1=C(O)C=C(F)C=C1 F13712 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.313 CCOC(=O)C1=C(C)SC(N)=N1 W18818 [0,1,0,0,1,0|2,0,0]=4 90 B12R1.1579 CCOC(=O)C1=CN=C(N)N1C 29245 [0,1,0,0,1,0|2,0,0]=4 91 B14R1.698 CC1=CC=C(OC(=O)CC(C)C)C=C1 S12213 [0,1,0,0,0,1|2,0,0]=4 92 B14R1.967 CCOC(=O)NC1=CC(Cl)=C(Cl)C=C1 L10134 [0,1,0,0,0,1|1,0,0]=3 93 B14R1.6823 CCOC(=O)CC1=C(C)C=C(F)C=C1 97493 [0,1,0,0,0,1|1,0,0]=3 94 B14R1.10 CC[C@H](C)OC(=O)C1=CC=C(O)C=C1 H10606 [0,2,0,0,0,0|1,0,0]=3 95 B14R1.10 C[C@@H](CO)NC(=O)C1=CC=C(Cl)C=C1 V10339 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.10 C[C@@H](CO)NC(=O)C1=CC=C(Cl)C=C1 V10340 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.19 CCCCCC(=O)C1=CC=C(N)C=C1 D88501 [0,2,0,0,0,0|1,0,0]=3 98 B14R1.19 CCCCCC(=O)C1=CC=C(O)C=C1 D90970 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.125 CCCNS(=O)(=O)C1=CC=C(N)C=C1 F10444 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Cl)C=C1 AC8376 [0,2,0,0,0,0|1,0,1]=4 101 B14R1.678 CC(C)COC(=O)C1=CC=C(N)C=C1 D88236 [0,2,0,0,0,0|0,0,0]=2 102 B14R1.678 C[C@H](O)CNC(=O)C1=CC=C(Cl)C=C1 V10336 [0,2,0,0,0,0|2,0,0]=4 103 B14R1.678 C[C@H](O)CNC(=O)C1=CC=C(Cl)C=C1 V10337 [0,2,0,0,0,0|2,0,0]=4 104 B14R1.941 CCCCC(=O)C1=CC(F)=C(F)C=C1 75675 [0,2,0,0,0,0|2,0,0]=4 105 B14R1.2523 CCCCC(=O)C1=C(O)C=C(C)C=C1 75554 [0,2,0,0,0,0|2,0,0]=4 106 B14R1.88 CCC(CC)C(=O)C1=CC=C(F)C=C1 E71975 [0,2,0,0,0,0|2,0,0]=4 107 B14R1.683 CC(C)(C)NC(=O)C1=CC=C(O)C=C1 F14270 [0,2,0,0,0,0|2,0,0]=4 108 B14R1.7234 CCOC(=O)C1=C(C)N=C(NN)N=C1 32805 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.6821 CCOC(=O)C1=CC(Cl)=C(F)C(Cl)=C1 97416 [0,2,0,0,0,0|1,0,0]=3 110 B14R1.7264 CCCC(=O)C1=C(O)C=C(O)C(O)=C1 F11160 [0,2,0,0,0,0|2,0,0]=4 111 B14R1.7264 CCOC(=O)C1=C(Cl)N=C(Cl)C(Cl)=C1 W13765 [0,2,0,0,0,0|2,0,0]=4 112 B14R1.7265 CCOC(=O)C1=CC=C(C)C(F)=C1F AT22319 [0,2,0,0,0,0|1,0,0]=3 113 B14R1.18811 CCOC(=O)C1=C(O)N=C(C)C=C1C 84665 [0,2,0,0,0,0|2,0,0]=4 114 B12R2.24 NC1=CC2=C(C=C1)CCCC2 AB10169 [1,0,0,1,0,0|1,0,1]=4 115 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 S10466 [1,0,0,1,0,0|1,0,0]=3 116 B12R2.2028 O=C1O[C@@H](Cl)C2=C1C=CC=C2 D86720 [1,0,0,1,0,0|1,0,0]=3 117 B12R2.2075 O=C(C1=CN=CC=C1)C2CC2 30696 [1,0,0,1,0,0|2,0,0]=4 118 B14R2.926 O=C1NCCN1C2=CC=C(F)C=C2 S12261 [0,0,0,1,0,1|2,0,0]=4 119 B14R2.8235 NC1=CC2=C(C=C1)NC(=O)OC2=O 56056 [0,0,0,1,0,1|1,0,1]=4 120 B14R2.20 CC1=NN=C(C2=CC=C(N)C=C2)O1 N11724 [0,1,0,1,0,0|1,0,1]=4 121 B14R2.10606 O=C(C1=CC=C(Br)C=C1)C2CCC2 A50621 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.954 O=C(C1=CC(Cl)=C(Cl)C=C1)C2CC2 N12444 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.11 CCCC(=O)C1=CCC=C1 F14009 [1,0,0,0,1,0|1,0,1]=4 124 B10R1.11 CCOC(=O)C1=CC=NN1 P10125 [1,0,0,0,1,0|2,0,0]=4 125 B10R1.11 CCOC(=O)C1=CN=CN1 W10269 [1,0,0,0,1,0|2,0,0]=4 126 B10R1.14 COC(=O)C1=CC(C)=CS1 H10305 [1,0,0,0,1,0|2,0,0]=4 127 B10R1.14 COC(=O)C1=COC(N)=N1 P17175 [1,0,0,0,1,0|2,0,0]=4 128 B12R1.32 CNCC(=O)NC1=CC=CC=C1 L10077 [1,0,0,0,0,1|2,0,0]=4 129 B12R1.32 CSCC(=O)NC1=CC=CC=C1 L10078 [1,0,0,0,0,1|2,0,0]=4 130 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C)C=C1 H10135 [0,0,0,0,0,2|1,0,0]=3 131 B14R1.502 CCOC(=O)\C=C\C1=CN=C(Cl)C=C1 D78751 [0,0,0,0,0,2|2,0,0]=4