0 B12R1.30 C#CCNC(=O)C1=CN=CC=C1 W16031 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.30 C#CCOC(=O)C1=CC=CC=C1 D76871 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 T71019 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.30 NCCNC(=O)C1=CC=CC=C1 F20112 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N10728 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N12911 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.30 O=C(CCCO)C1=CN=CC=C1 W11994 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.30 O=C(NCCBr)C1=NC=CC=C1 W10393 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.30 O=C(NCCO)C1=NC=CN=C1 W16086 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 C76338 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 31766 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 Y11462 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.16 CCOC(=O)C1=NN=CC=N1 67096 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [1,0,0,0,0,0|1,1,1]=4 24 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.28 ICCOCC1=CC=CC=C1 70075 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.28 NCCCOC1=CC=CC=C1 76995 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [1,0,0,0,0,0|3,0,0]=4 31 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 32568 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.17 CC1=CC=C(C(=O)OCCO)C=C1 A11170 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 C80025 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.18 N#CCCC(=O)C1=CC=CC(Cl)=C1 AB8926 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 I11490 [0,1,0,0,0,0|1,0,0]=2 36 B13R1.45 CC(C)CCC(=O)C1=CC=CC=C1 Y11605 [0,1,0,0,0,0|1,0,0]=2 37 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 S10635 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.45 C[C@H](O)COC(=O)C1=CC=CC=C1 D93462 [0,1,0,0,0,0|0,0,0]=1 39 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 D81437 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.47 CCOC(=O)C(=O)C1=CN=CC=C1 25920 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.122 NCCCS(=O)(=O)C1=CC=CC=C1 AR2660 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.674 CCCCC(=O)C1=C(F)C=CC=C1 N13949 [0,1,0,0,0,0|1,0,0]=2 43 B13R2.3 C1=CC=C(B2OCCCO2)C=C1 D71701 [0,0,0,1,0,0|1,0,1]=3 44 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 59907 [0,0,0,1,0,0|2,0,1]=4 45 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 59908 [0,0,0,1,0,0|2,0,1]=4 46 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 59949 [0,0,0,1,0,0|2,0,1]=4 47 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 N14324 [0,0,0,1,0,0|2,0,1]=4 48 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F13065 [0,0,0,1,0,0|2,0,1]=4 49 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F13093 [0,0,0,1,0,0|2,0,1]=4 50 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 P15237 [0,0,0,1,0,0|2,0,1]=4 51 B13R2.371 N[C@H]1COC(=O)C2=C1C=CC=C2 Y11200 [0,0,0,1,0,0|1,0,0]=2 52 B13R2.371 O=C1CC[C@H](O)C2=C1C=CC=C2 70927 [0,0,0,1,0,0|2,0,0]=3 53 B13R2.371 O=C1CNC(=O)C2=C1C=CC=C2 W18450 [0,0,0,1,0,0|2,0,1]=4 54 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 C75667 [0,0,0,1,0,0|1,0,1]=3 55 B13R2.690 O=C(CC1CC1)C2=CC=CC=C2 72374 [0,0,0,1,0,0|1,0,0]=2 56 B13R2.690 O=C(NC1CC1)C2=CC=NC=C2 W13162 [0,0,0,1,0,0|2,0,0]=3 57 B13R2.5252 N[C@H]1CCCCC2=C1C=CC=C2 20645 [0,0,0,1,0,0|2,0,1]=4 58 B13R2.5252 O=C1NCCOC2=C1C=CC=C2 71397 [0,0,0,1,0,0|2,0,0]=3 59 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 81809 [0,0,0,1,0,0|2,0,0]=3 60 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 FD10504 [0,0,0,1,0,0|2,0,1]=4 61 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 Y10410 [0,0,0,1,0,0|2,0,1]=4 62 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 Y10411 [0,0,0,1,0,0|2,0,1]=4 63 B11R1.29 CNCCC(=O)C1=CC=CS1 C76025 [0,0,0,0,1,0|3,0,0]=4 64 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 A12538 [0,0,0,0,0,1|0,0,0]=1 65 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [2,0,0,0,0,0|1,0,0]=3 67 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [2,0,0,0,0,0|0,0,2]=4 68 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [2,0,0,0,0,0|1,0,1]=4 71 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [2,0,0,0,0,0|0,0,2]=4 72 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [2,0,0,0,0,0|0,0,2]=4 73 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [2,0,0,0,0,0|1,0,1]=4 77 B10R1.17 CCCOC1=CC=CC=C1 C75927 [2,0,0,0,0,0|0,0,0]=2 78 B10R1.17 CCNCC1=CC=CC=C1 D77748 [2,0,0,0,0,0|1,0,1]=4 79 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [2,0,0,0,0,0|1,0,1]=4 80 B10R1.17 NCCOC1=CC=NC=C1 F31099 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.17 NCCOC1=CC=NC=C1 Y10522 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.17 OCCOC1=CN=CC=C1 D86242 [2,0,0,0,0,0|2,0,0]=4 83 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 D77805 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 N13972 [1,1,0,0,0,0|0,0,0]=2 85 B12R1.16 CCCC(=O)C1=CN=C(Cl)C=C1 N14275 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y11987 [1,1,0,0,0,0|1,0,1]=4 87 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y14024 [1,1,0,0,0,0|1,0,1]=4 88 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 Y10286 [1,1,0,0,0,0|1,0,1]=4 89 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 D77688 [1,1,0,0,0,0|0,0,0]=2 90 B12R1.16 CCOC(=O)C1=CC=[N+]([O-])C=C1 AB21610 [1,1,0,0,0,0|1,0,0]=3 91 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=N1 RB3338 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.16 CCOC(=O)C1=CN=C(F)C=C1 88966 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=C1 C72155 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.16 CCOC(=O)C1=NC=C(F)C=N1 P17719 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 D86980 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.16 CCOC(=O)C1=NN=C(Cl)C=C1 26720 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.16 CCOC(=O)C1=NN=C(S)C=C1 D80571 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.17 CCCC(=O)C1=CC=CC(Br)=C1 N13963 [1,1,0,0,0,0|0,0,0]=2 99 B12R1.17 CCOC(=O)C1=CC(=O)C=CO1 C72931 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.17 CCOC(=O)C1=CC(=O)NC=C1 72628 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.17 CCOC(=O)C1=CC(C)=CC=C1 S12346 [1,1,0,0,0,0|0,0,0]=2 102 B12R1.17 CCOC(=O)C1=CC(C)=NC=C1 90616 [1,1,0,0,0,0|1,0,0]=3 103 B12R1.17 CCOC(=O)C1=CC(F)=NC=C1 91499 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.17 CCOC(=O)C1=CC=NC(Br)=N1 C71724 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=N1 90138 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.17 CCOC(=O)C1=NC(C)=CC=C1 D84508 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 F11923 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.17 CCOC(=O)C1=NC=CC(F)=C1 AB10269 [1,1,0,0,0,0|1,0,0]=3 109 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 FD10503 [1,1,0,0,0,0|1,0,1]=4 110 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31005 [1,1,0,0,0,0|1,0,1]=4 111 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [1,1,0,0,0,0|1,0,1]=4 114 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [1,1,0,0,0,0|1,0,1]=4 115 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 O12077 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20117 [1,1,0,0,0,0|1,0,1]=4 118 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20119 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 N13254 [1,1,0,0,0,0|1,0,1]=4 120 B12R1.308 CCOC(=O)C1=C(Br)C=NC=N1 67175 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 72062 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.308 CCOC(=O)C1=C(C)C=NN=C1 P12076 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 29844 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 P11140 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=N1 W18461 [1,1,0,0,0,0|1,0,0]=3 126 B12R1.308 CCOC(=O)C1=C(N)C=CN=C1 A12134 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.308 CCOC(=O)C1=C(N)N=NC=C1 31637 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 BL009831 [1,1,0,0,0,0|1,0,0]=3 129 B12R1.308 CCOC(=O)C1=CC=CN=C1Br 24958 [1,1,0,0,0,0|1,0,0]=3 130 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl 84692 [1,1,0,0,0,0|2,0,0]=4 131 B12R1.308 CCOC(=O)C1=NC=CC=C1C 30595 [1,1,0,0,0,0|1,0,0]=3 132 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl I10105 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.308 CCOC(=O)C1=NC=CN=C1N 89343 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.308 CONC(=O)C1=C(N)C=CC=C1 W13132 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.308 N#CCC(=O)C1=C(O)C=CC=C1 AC8189 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 AC7173 [1,1,0,0,0,0|1,0,0]=3 137 B12R1.1 CCCCCC1=CC=C(F)C=C1 A11207 [1,1,0,0,0,0|1,0,1]=4 138 B12R1.8 C=CCCOCC1=CC=CC=C1 AC6656 [1,1,0,0,0,0|0,0,2]=4 139 B12R1.8 CCCCCNC1=CC=CC=C1 T72196 [1,1,0,0,0,0|1,0,1]=4 140 B12R1.8 NCCCCOC1=CC=CC=C1 AB7703 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.8 NCCCOCC1=CC=CC=C1 C73224 [1,1,0,0,0,0|0,0,1]=3 142 B12R1.8 OCCCC#CC1=CC=CC=C1 T72149 [1,1,0,0,0,0|1,0,1]=4 143 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.28 CCCCCC1=CC=CC(F)=C1 36943 [1,1,0,0,0,0|1,0,1]=4 145 B14R1.19 CCCCCC(=O)C1=CC=C(C)C=C1 C73219 [0,2,0,0,0,0|1,0,0]=3 146 B14R1.19 CCCCCC(=O)C1=CC=C(Cl)C=C1 C76320 [0,2,0,0,0,0|1,0,0]=3 147 B14R1.125 CC1=CC=C(S(=O)(=O)OCCBr)C=C1 N10355 [0,2,0,0,0,0|2,0,0]=4 148 B14R1.125 CC1=CC=C(S(=O)(=O)OCCO)C=C1 AB10197 [0,2,0,0,0,0|2,0,0]=4 149 B14R1.125 CCCCS(=O)(=O)C1=CC=C(N)C=C1 S11425 [0,2,0,0,0,0|2,0,0]=4 150 B14R1.678 CC1=CC=C(C(=O)CCN(C)C)C=C1 30691 [0,2,0,0,0,0|2,0,0]=4 151 B14R1.678 CN(C)CCC(=O)C1=CC=C(Cl)C=C1 30440 [0,2,0,0,0,0|2,0,0]=4 152 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 75642 [0,2,0,0,0,0|2,0,0]=4 153 B14R1.941 C=CCOC(=O)C1=CC(N)=C(F)C=C1 C72906 [0,2,0,0,0,0|0,0,2]=4 154 B14R1.941 CCCCC(=O)C1=CC(O)=C(O)C=C1 C74309 [0,2,0,0,0,0|1,0,0]=3 155 B14R1.2523 O=C(CCCCl)C1=C(F)C=C(F)C=C1 W11533 [0,2,0,0,0,0|2,0,0]=4 156 B14R1.36 CCOC(=O)C(=O)C1=CC=CC(Br)=C1 A10045 [0,2,0,0,0,0|2,0,0]=4 157 B14R1.163 O=C(OC[C@@H](O)CO)C1=CC=CC=C1 C74734 [0,2,0,0,0,0|0,0,0]=2 158 B14R1.160 CC(=O)COC(=O)C1=C(N)C=CC=C1 A12001 [0,2,0,0,0,0|0,0,1]=3 159 B14R1.3098 C[N+](C)(C)CCC(=O)C1=CC=CC=C1 C74257 [0,2,0,0,0,0|2,0,0]=4 160 B14R1.3348 CCOC(=O)C(=O)C1=C(Br)C=CC=C1 21190 [0,2,0,0,0,0|2,0,0]=4 161 B12R2.2 C1=CC(C2=NCCO2)=CN=C1 C75026 [1,0,0,1,0,0|2,0,0]=4 162 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [1,0,0,1,0,0|1,0,1]=4 163 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [1,0,0,1,0,0|1,0,1]=4 164 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [1,0,0,1,0,0|1,0,1]=4 165 B12R2.2 C1=CN=C(C2=NCCO2)C=C1 D75595 [1,0,0,1,0,0|2,0,0]=4 166 B12R2.2 C1=CN=CC(C2=NCCC2)=C1 F30066 [1,0,0,1,0,0|2,0,0]=4 167 B12R2.1081 O=C1CC=CC2=C1C=CC=C2 F31381 [1,0,0,1,0,0|0,0,2]=4 168 B12R2.1081 O=C1CCCC2=C1C=CN=C2 51824 [1,0,0,1,0,0|1,0,0]=3 169 B12R2.1081 O=C1CCCC2=C1C=CN=C2 Y10029 [1,0,0,1,0,0|1,0,0]=3 170 B12R2.1081 O=C1CCCC2=C1C=NC=C2 60208 [1,0,0,1,0,0|1,0,0]=3 171 B12R2.1081 O=C1CCOC2=CC=CN=C12 50250 [1,0,0,1,0,0|2,0,0]=4 172 B12R2.1081 O=C1CNNC2=C1C=CC=C2 H10992 [1,0,0,1,0,0|2,0,0]=4 173 B12R2.1081 O=C1NCCC2=C1C=CC=N2 78448 [1,0,0,1,0,0|2,0,0]=4 174 B12R2.1081 O=C1NCCC2=C1C=NC=C2 P11596 [1,0,0,1,0,0|2,0,0]=4 175 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 N10038 [1,0,0,1,0,0|0,0,2]=4 176 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [1,0,0,1,0,0|0,0,2]=4 177 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [1,0,0,1,0,0|0,0,2]=4 178 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 C71035 [1,0,0,1,0,0|2,0,0]=4 179 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 72362 [1,0,0,1,0,0|1,0,0]=3 180 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 Y10046 [1,0,0,1,0,0|2,0,0]=4 181 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10002 [1,0,0,1,0,0|1,0,1]=4 182 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10011 [1,0,0,1,0,0|1,0,1]=4 183 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10344 [1,0,0,1,0,0|1,0,1]=4 184 B12R2.2075 O=C(C1=CC=NC=C1)C2CC2 N14247 [1,0,0,1,0,0|1,0,0]=3 185 B12R2.1 CO[C@H]1OCC2=C1C=CC=C2 T71210 [1,0,0,1,0,0|1,0,1]=4 186 B12R2.41 C1=CC2=C(C=C1)NCCCC2 W18982 [1,0,0,1,0,0|2,0,0]=4 187 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 70487 [1,0,0,1,0,0|1,0,1]=4 188 B12R2.2058 C1=CC=C(NC2CCC2)C=C1 W12187 [1,0,0,1,0,0|2,0,0]=4 189 B12R2.221 C[C@H]1CNC(=O)C2=CC=CN21 82967 [0,0,0,1,1,0|2,0,0]=4 190 B12R2.229 O=C1CCCCC2=CNC=C12 D79452 [0,0,0,1,1,0|2,0,0]=4 191 B14R2.24 O=C1CCCCN1C2=CC=CC=C2 C12699 [0,0,0,1,0,1|1,0,0]=3 192 B14R2.24 O=C1CNCCN1C2=CC=CC=C2 AB1573 [0,0,0,1,0,1|2,0,0]=4 193 B14R2.24 O=C1NCCN[C@H]1C2=CC=CC=C2 P10460 [0,0,0,1,0,1|2,0,0]=4 194 B14R2.24 O=C1NCCN[C@H]1C2=CC=CC=C2 P10461 [0,0,0,1,0,1|2,0,0]=4 195 B14R2.24 O=C1OCCC[C@H]1C2=NC=CC=C2 66323 [0,0,0,1,0,1|1,0,0]=3 196 B14R2.517 CCCN1C(N)=NC2=C1C=CC=C2 C75699 [0,0,0,1,0,1|2,0,0]=4 197 B14R2.517 NCCN1C(=O)NC2=C1C=CC=C2 D80807 [0,0,0,1,0,1|2,0,0]=4 198 B14R2.517 NCC[C@@H]1C(=O)NC2=C1C=CC=C2 AR2408 [0,0,0,1,0,1|2,0,0]=4 199 B14R2.517 O=C1NC2=C(C=CC=C2)N1CCBr W16874 [0,0,0,1,0,1|2,0,0]=4 200 B14R2.517 O=C1NC2=C(C=CC=C2)N1CCCl FD7371 [0,0,0,1,0,1|2,0,0]=4 201 B14R2.21 CN1CCO[C@H](C2=CC=CC=C2)C1 F18891 [0,1,0,1,0,0|1,0,1]=4 202 B14R2.68 OC1COC(C2=CC=CC=C2)OC1 T71911 [0,1,0,1,0,0|0,0,2]=4 203 B14R2.933 O=C(CC1CC1)C2=CC=C(Cl)C=C2 W12948 [0,1,0,1,0,0|1,0,0]=3 204 B14R2.933 O=C(NC1CC1)C2=CN=C(Cl)C=C2 35874 [0,1,0,1,0,0|2,0,0]=4 205 B14R2.8719 CC1=CC2=C(C=C1)C(=O)CCCO2 N12946 [0,1,0,1,0,0|2,0,0]=4 206 B14R2.8719 O=C1CCCCC2=C1C=CC(Cl)=C2 F13419 [0,1,0,1,0,0|1,0,0]=3 207 B14R2.8719 O=C1CCCOC2=C1C=CC(Cl)=C2 N12848 [0,1,0,1,0,0|2,0,0]=4 208 B14R2.8719 O=C1NCCNC2=C1C=CC(Br)=C2 C72522 [0,1,0,1,0,0|2,0,0]=4 209 B14R2.8751 CC1=CC2=C(C=C1)N(C)CCC2=O N16797 [0,1,0,1,0,0|2,0,0]=4 210 B14R2.10606 NC1=CC=C(C(=O)C2CCC2)C=C1 33487 [0,1,0,1,0,0|1,0,0]=3 211 B14R2.10606 O=C(C1=CC=C(Br)C=C1)C2CNC2 P14142 [0,1,0,1,0,0|2,0,0]=4 212 B14R2.685 NC1=CC=CC2=C1NCCNC2=O D93068 [0,1,0,1,0,0|2,0,0]=4 213 B14R2.685 O=C1CCCOC2=C(Br)C=CC=C12 N12725 [0,1,0,1,0,0|2,0,0]=4 214 B14R2.5637 NC1=CC2=C(C=C1)OCCNC2=O 72426 [0,1,0,1,0,0|2,0,0]=4 215 B14R2.5637 O=C1CCCCC2=C1C=C(Br)C=C2 N12907 [0,1,0,1,0,0|1,0,0]=3 216 B14R2.5637 O=C1CCCNC2=C1C=C(O)C=C2 P20794 [0,1,0,1,0,0|2,0,0]=4 217 B14R2.5637 O=C1NCCOC2=C1C=C(Br)C=C2 54015 [0,1,0,1,0,0|2,0,0]=4 218 B14R2.2974 O=CC1(C2=CC=CC=C2)CCCC1 65702 [0,1,0,1,0,0|1,0,1]=4 219 B14R2.25733 O=C1O[C@@H](C(=O)O)C2=C1C=CC=C2 D87638 [0,1,0,1,0,0|1,0,1]=4 220 B10R1.11 CCOC(=O)C1=NC=CS1 24386 [1,0,0,0,1,0|2,0,0]=4 221 B14R1.156 CCCCC(=O)OCC1=CC=CC=C1 D81803 [0,0,0,0,0,2|1,0,0]=3 222 B14R1.156 O=C(CCCO)OCC1=CC=CC=C1 W16162 [0,0,0,0,0,2|2,0,0]=4