0 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 CS11315 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 CS21212 [0,0,0,0,0,0|1,0,0]=1 2 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 MC33362 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 CS12977 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 MC41739 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.435 FC(F)C1=CC2=CC=CN=C2N1 MC104633 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.435 FC(F)C1=NC2=C(C=CC=C2)N1 CS12551 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 CS16659 [0,0,0,0,0,0|2,0,0]=2 8 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 CS21478 [0,0,0,0,0,0|1,0,0]=1 9 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 CS21476 [0,0,0,0,0,0|1,0,0]=1 10 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 CS14473 [0,0,0,0,0,0|1,0,0]=1 11 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 MC441179 [0,0,0,0,0,0|2,0,0]=2 12 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)N1 MC105516 [0,0,0,0,0,0|2,0,0]=2 13 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 CS22268 [0,0,0,0,0,0|0,0,0]=0 14 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 MC444444 [0,0,0,0,0,0|1,0,0]=1 15 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 MC441174 [0,0,0,0,0,0|2,0,0]=2 16 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 CS18576 [0,0,0,0,0,0|1,0,0]=1 17 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 MC115550 [0,0,0,0,0,0|2,0,0]=2 18 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 MC441326 [0,0,0,0,0,0|2,0,0]=2 19 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 CS15306 [0,0,0,0,0,0|1,0,0]=1 20 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 MC441901 [0,0,0,0,0,0|2,0,0]=2 21 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 MC441335 [0,0,0,0,0,0|3,0,0]=3 22 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 CS18408 [0,0,0,0,0,0|1,0,1]=2 23 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 MC443785 [0,0,0,0,0,0|2,0,1]=3 24 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 MC100039 [0,0,0,0,0,0|2,0,1]=3 25 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 CS18211 [0,0,0,0,0,0|1,0,0]=1 26 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 MC442734 [0,0,0,0,0,0|1,0,1]=2 27 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 CS10508 [0,0,0,0,0,0|1,0,1]=2 28 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 CS18273 [0,0,0,0,0,0|2,0,1]=3 29 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 MC104992 [0,0,0,0,0,0|2,0,1]=3 30 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 CS11042 [0,0,0,0,0,0|0,0,2]=2 31 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 MC20135 [0,0,0,0,0,0|0,0,2]=2 32 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)S1 MC440271 [0,0,0,0,0,0|2,0,1]=3 33 B13R2.435 OB(O)C1=CN2C=CC=CC2=N1 MC106313 [0,0,0,0,0,0|2,0,2]=4 34 B13R2.435 OB(O)C1=NC2=C(C=CC=C2)N1 MC105937 [0,0,0,0,0,0|2,0,1]=3 35 B13R2.435 OB(O)C1=NC2=C(C=CC=C2)S1 MC115170 [0,0,0,0,0,0|2,0,2]=4 36 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 CS18815 [1,0,0,0,0,0|2,0,1]=4 37 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 CS20901 [1,0,0,0,0,0|2,0,1]=4 38 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 CS21513 [1,0,0,0,0,0|2,0,1]=4 39 B12R2.32 N#CC1=CC2=C(C=CC=C2)S1 CS14975 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.32 N#CC1=CC2=CC=CC=C2N1 CS17089 [1,0,0,0,0,0|1,0,1]=3 41 B12R2.32 N#CC1=NC2=C(C=CC=C2)N1 MC107181 [1,0,0,0,0,0|2,0,1]=4 42 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [1,0,0,0,0,0|2,0,1]=4 43 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 CS14446 [1,0,0,0,0,0|2,0,1]=4 44 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 CS20888 [1,0,0,0,0,0|2,0,1]=4 45 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 MC425570 [1,0,0,0,0,0|2,0,1]=4 46 B12R2.32 NNC1=NC2=C(C=CC=C2)N1 MC425757 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CS10964 [1,0,0,0,0,0|1,0,0]=2 48 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [1,0,0,0,0,0|0,0,0]=1 49 B12R2.32 O=CC1=CC2=CC=NC=C2N1 MC116282 [1,0,0,0,0,0|1,0,0]=2 50 B12R2.32 O=CC1=CC2=CC=NC=C2S1 MC441877 [1,0,0,0,0,0|2,0,0]=3 51 B12R2.32 O=CC1=CC2=NC=CC=C2O1 MC103691 [1,0,0,0,0,0|2,0,0]=3 52 B12R2.32 O=CC1=CN2C=CN=CC2=N1 MC100038 [1,0,0,0,0,0|2,0,1]=4 53 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 MC33243 [1,0,0,0,0,0|1,0,0]=2 54 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS20715 [1,0,0,0,0,0|0,0,1]=2 55 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 MC10493 [1,0,0,0,0,0|1,0,1]=3 56 B12R2.32 OCC1CC2=CC=CC=C2N1 MC105284 [1,0,0,0,0,0|0,0,3]=4 57 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 MC41799 [0,1,0,0,0,0|1,0,0]=2 58 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 CS11350 [0,1,0,0,0,0|0,0,0]=1 59 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 MC433155 [0,1,0,0,0,0|1,0,0]=2 60 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 MC429622 [0,1,0,0,0,0|1,0,0]=2 61 B14R2.972 COC(=O)C1=CC2=C(N=CN=C2)N1 MC104527 [0,1,0,0,0,0|2,0,0]=3 62 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 CS11361 [0,1,0,0,0,0|0,0,0]=1 63 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 CS13203 [0,1,0,0,0,0|1,0,0]=2 64 B14R2.972 COC(=O)C1=CC2=NC=CN=C2S1 CS18450 [0,1,0,0,0,0|3,0,0]=4 65 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 MC107164 [0,1,0,0,0,0|1,0,0]=2 66 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 MC106657 [0,1,0,0,0,0|1,0,1]=3 67 B14R2.3129 FC(F)(F)C1=CC2=CC=CC=C2N1 MC429134 [0,1,0,0,0,0|2,0,1]=4 68 B14R2.3129 O=S(=O)(Cl)C1=CC2=C(C=CC=C2)S1 CS20607 [0,1,0,0,0,0|2,0,1]=4 69 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 MC441314 [0,1,0,0,0,0|1,0,0]=2 70 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 MC41800 [0,1,0,0,0,0|1,0,0]=2 71 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 MC441312 [0,1,0,0,0,0|1,0,0]=2 72 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 CS10730 [0,1,0,0,0,0|0,0,0]=1 73 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=N1 MC104472 [0,1,0,0,0,0|1,0,0]=2 74 B14R2.4529 CC1=CC=C2C=C(C(=O)O)SC2=N1 MC441321 [0,1,0,0,0,0|2,0,0]=3 75 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 CS10456 [0,1,0,0,0,0|0,0,0]=1 76 B14R2.4529 CC1=CC=C2NC(C(N)=O)=CC2=C1 MC107564 [0,1,0,0,0,0|1,0,0]=2 77 B14R2.4529 NC1=CN=C2NC(C(=O)O)=CC2=C1 MC104471 [0,1,0,0,0,0|1,0,0]=2 78 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 MC114702 [0,1,0,0,0,0|1,0,0]=2 79 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 MC441038 [0,1,0,0,0,0|1,0,0]=2 80 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 MC441313 [0,1,0,0,0,0|1,0,0]=2 81 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 MC443455 [0,1,0,0,0,0|1,0,0]=2 82 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 CS12323 [0,1,0,0,0,0|1,0,0]=2 83 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 MC114912 [0,1,0,0,0,0|1,0,0]=2 84 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 MC441164 [0,1,0,0,0,0|1,0,0]=2 85 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 MC41760 [0,1,0,0,0,0|1,0,0]=2 86 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 MC441171 [0,1,0,0,0,0|1,0,0]=2 87 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 MC441141 [0,1,0,0,0,0|1,0,0]=2 88 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)O1 MC441172 [0,1,0,0,0,0|1,0,0]=2 89 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)S1 MC41787 [0,1,0,0,0,0|1,0,0]=2 90 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 MC444391 [0,1,0,0,0,0|1,0,0]=2 91 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 MC441323 [0,1,0,0,0,0|2,0,0]=3 92 B14R2.4529 O=C(O)C1=CC2=CC(Br)=NC=C2N1 CS15209 [0,1,0,0,0,0|1,0,0]=2 93 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 CS22050 [0,1,0,0,0,0|0,0,0]=1 94 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 MC20054 [0,1,0,0,0,0|0,0,0]=1 95 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 MC103942 [0,1,0,0,0,0|1,0,0]=2 96 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 CS22090 [0,1,0,0,0,0|0,0,0]=1 97 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)N=C2N1 MC444420 [0,1,0,0,0,0|1,0,0]=2 98 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 MC20052 [0,1,0,0,0,0|0,0,0]=1 99 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 MC121106 [0,1,0,0,0,0|1,0,0]=2 100 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 MC20055 [0,1,0,0,0,0|0,0,0]=1 101 B14R2.4529 O=C(O)C1=CC2=NC(Br)=CC=C2N1 MC104549 [0,1,0,0,0,0|1,0,0]=2 102 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 MC102085 [0,1,0,0,0,0|1,0,0]=2 103 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 MC102042 [0,1,0,0,0,0|1,0,0]=2 104 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 CS10665 [0,1,0,0,0,0|1,0,1]=3 105 B14R2.4529 O=C(O)C1=CN2C=C(Br)N=CC2=N1 CS12519 [0,1,0,0,0,0|2,0,1]=4 106 B14R2.4529 O=C(O)C1=CN2C=C(Cl)C=CC2=N1 MC425403 [0,1,0,0,0,0|1,0,1]=3 107 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)S1 MC104507 [0,1,0,0,0,0|1,0,1]=3 108 B14R2.4529 O=C(O)C1=NC2=C(C=C(Cl)C=C2)S1 CS15439 [0,1,0,0,0,0|1,0,1]=3 109 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)N1 MC41759 [0,1,0,0,0,0|1,0,0]=2 110 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)S1 MC104505 [0,1,0,0,0,0|1,0,1]=3 111 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=CC2=C1 MC101946 [0,1,0,0,0,0|1,0,1]=3 112 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=CC2=C1 MC20746 [0,1,0,0,0,0|1,0,1]=3 113 B14R2.4529 O=C(O)C1=NN2C=CC(Br)=CC2=C1 MC102046 [0,1,0,0,0,0|1,0,1]=3 114 B14R2.4529 O=C(O)C1CC2=CC=C(Br)C=C2C1 MC446705 [0,1,0,0,0,0|1,0,2]=4 115 B14R2.4529 O=C(O)C1CC2=CC=C(F)C=C2C1 MC446704 [0,1,0,0,0,0|1,0,2]=4 116 B14R2.4529 OB(O)C1=CC2=C(C=C(Br)C=C2)O1 MC443341 [0,1,0,0,0,0|2,0,1]=4 117 B14R2.4529 OB(O)C1=CC2=C(C=C(F)C=C2)S1 MC113497 [0,1,0,0,0,0|2,0,1]=4 118 B14R2.4529 OB(O)C1=CC2=C(C=CC(Br)=C2)O1 CS16495 [0,1,0,0,0,0|2,0,1]=4 119 B14R2.4529 OB(O)C1=CC2=C(C=CC(F)=C2)O1 MC106329 [0,1,0,0,0,0|2,0,1]=4 120 B14R2.4529 OB(O)C1=CC2=C(C=CC(F)=C2)S1 MC113526 [0,1,0,0,0,0|2,0,1]=4 121 B14R2.4529 OB(O)C1=CC2=CC(Cl)=CC=C2N1 MC114622 [0,1,0,0,0,0|1,0,1]=3 122 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 MC441057 [0,1,0,0,0,0|1,0,0]=2 123 B14R2.7969 CC1=CC=CC2=C1N=C(C(=O)O)N2 CS12511 [0,1,0,0,0,0|1,0,0]=2 124 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 MC441311 [0,1,0,0,0,0|1,0,0]=2 125 B14R2.7969 CC1=CC=CC2=C1SC(C(=O)O)=C2 MC441142 [0,1,0,0,0,0|1,0,0]=2 126 B14R2.7969 NC1=CC=CC2=C1OC(C(=O)O)=C2 MC431602 [0,1,0,0,0,0|1,0,0]=2 127 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 MC441176 [0,1,0,0,0,0|2,0,0]=3 128 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)O1 MC441316 [0,1,0,0,0,0|1,0,0]=2 129 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)S1 MC441143 [0,1,0,0,0,0|1,0,0]=2 130 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)O1 MC441315 [0,1,0,0,0,0|1,0,0]=2 131 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 MC41767 [0,1,0,0,0,0|1,0,0]=2 132 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)O1 MC441317 [0,1,0,0,0,0|1,0,0]=2 133 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 MC441145 [0,1,0,0,0,0|1,0,0]=2 134 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Br)N1 MC105989 [0,1,0,0,0,0|1,0,0]=2 135 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Cl)S1 MC441333 [0,1,0,0,0,0|2,0,0]=3 136 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 MC444341 [0,1,0,0,0,0|1,0,0]=2 137 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2S1 MC441177 [0,1,0,0,0,0|2,0,0]=3 138 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 CS14286 [0,1,0,0,0,0|0,0,0]=1 139 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 CS12322 [0,1,0,0,0,0|2,0,0]=3 140 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)S1 MC441337 [0,1,0,0,0,0|3,0,0]=4 141 B14R2.7969 O=C(O)C1=CC2=C(N=NC=C2O)N1 MC116436 [0,1,0,0,0,0|2,0,0]=3 142 B14R2.7969 O=C(O)C1=CC2=C(O1)C(Br)=CC=C2 MC441300 [0,1,0,0,0,0|1,0,0]=2 143 B14R2.7969 O=C(O)C1=CC2=C(O1)C(F)=CC=C2 MC441298 [0,1,0,0,0,0|1,0,0]=2 144 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=CC=C2 CS16632 [0,1,0,0,0,0|1,0,0]=2 145 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 CS10798 [0,1,0,0,0,0|1,0,0]=2 146 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=NC=N2 MC100191 [0,1,0,0,0,0|3,0,0]=4 147 B14R2.7969 O=C(O)C1=CC2=C(S1)C(F)=CC=C2 MC441144 [0,1,0,0,0,0|1,0,0]=2 148 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 MC30342 [0,1,0,0,0,0|0,0,0]=1 149 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 CS12600 [0,1,0,0,0,0|0,0,0]=1 150 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 MC106623 [0,1,0,0,0,0|0,0,0]=1 151 B14R2.7969 O=C(O)C1=CC2=CC=NC(Cl)=C2S1 MC441328 [0,1,0,0,0,0|2,0,0]=3 152 B14R2.7969 O=C(O)C1=CN2C=CC=C(Br)C2=N1 CS14593 [0,1,0,0,0,0|1,0,1]=3 153 B14R2.7969 O=C(O)C1=NC2=C(C=CC=C2Br)S1 MC104506 [0,1,0,0,0,0|1,0,1]=3 154 B14R2.7969 O=C(O)C1=NC2=C(S1)C(Br)=CC=C2 MC104508 [0,1,0,0,0,0|1,0,1]=3 155 B14R2.7969 O=C(O)C1=NN2C(Br)=CC=CC2=C1 MC104585 [0,1,0,0,0,0|1,0,1]=3 156 B14R2.7969 O=C(O)C1=NN2C=CC=C(Br)C2=C1 MC104587 [0,1,0,0,0,0|1,0,1]=3 157 B14R2.7969 OB(O)C1=CC2=C(C=CC=C2F)O1 MC443478 [0,1,0,0,0,0|2,0,1]=4 158 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [0,0,1,0,0,0|1,0,0]=2 159 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O MC20809 [0,0,1,0,0,0|0,0,2]=3 160 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438079 [0,0,1,0,0,0|1,0,2]=4 161 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438080 [0,0,1,0,0,0|1,0,2]=4 162 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438081 [0,0,1,0,0,0|1,0,2]=4 163 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438082 [0,0,1,0,0,0|1,0,2]=4 164 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [0,0,1,0,0,0|0,0,2]=3 165 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [0,0,1,0,0,0|0,0,2]=3 166 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [0,0,1,0,0,0|0,0,2]=3 167 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CS18803 [0,0,1,0,0,0|1,0,2]=4 168 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MC20764 [0,0,1,0,0,0|1,0,2]=4 169 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MC439076 [0,0,1,0,0,0|1,0,2]=4 170 B12R1.43 NC(Cc1ccccn1)C(=O)O MC427345 [0,0,1,0,0,0|1,0,2]=4 171 B12R1.43 NC(Cc1ccccn1)C(=O)O MC438142 [0,0,1,0,0,0|1,0,2]=4 172 B12R1.43 NC(Cc1ccccn1)C(=O)O MC438143 [0,0,1,0,0,0|1,0,2]=4 173 B12R1.43 NC(Cc1ccccn1)C(=O)O MC439075 [0,0,1,0,0,0|1,0,2]=4 174 B12R1.43 NC(Cc1cccnc1)C(=O)O MC438144 [0,0,1,0,0,0|1,0,2]=4 175 B12R1.43 NC(Cc1ccncc1)C(=O)O MC439080 [0,0,1,0,0,0|1,0,2]=4 176 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [0,0,1,0,0,0|1,0,2]=4 177 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [0,0,1,0,0,0|1,0,2]=4 178 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [0,0,1,0,0,0|1,0,2]=4 179 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [0,0,1,0,0,0|1,0,2]=4 180 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 MC106617 [0,0,1,0,0,0|1,0,1]=3 181 B12R1.125 O=C(O)CNc1ccccc1Cl MC439220 [0,0,1,0,0,0|1,0,1]=3 182 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 CS10967 [0,0,1,0,0,0|1,0,0]=2 183 B12R2.252 O=C(O)C1=CC2=C(SC=C2)S1 MC442193 [0,0,0,0,1,0|2,0,0]=3 184 B12R2.252 O=C(O)C1=CC2=CSC=C2S1 MC442194 [0,0,0,0,1,0|2,0,0]=3 185 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)O1 CS21317 [0,0,0,0,0,1|1,0,0]=2 186 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 MC10334 [0,0,0,0,0,1|0,0,0]=1 187 B14R2.768 O=C(O)CC1=CN2C=CC=NC2=N1 CS12876 [0,0,0,0,0,1|2,0,1]=4 188 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 MC41741 [0,0,0,0,0,1|2,0,0]=3 189 B14R2.781 O=C(Cl)C1=CC=C2C=CC=NC2=C1 MC106305 [0,0,0,0,0,1|3,0,0]=4 190 B14R2.781 O=C(Cl)C1=CC=C2C=NC=CC2=C1 MC106031 [0,0,0,0,0,1|3,0,0]=4 191 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 CS16292 [0,0,0,0,0,1|1,0,0]=2 192 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS11274 [0,0,0,0,0,1|0,0,1]=2 193 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS11279 [0,0,0,0,0,1|0,0,1]=2 194 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 CS10060 [0,0,0,0,0,1|0,0,1]=2 195 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 CS10714 [0,0,0,0,0,1|2,0,0]=3 196 B14R2.781 O=C(O)C1=CC=C2C=NC=NC2=C1 MC102441 [0,0,0,0,0,1|3,0,0]=4 197 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 CS11933 [0,0,0,0,0,1|3,0,0]=4 198 B14R2.781 O=C(O)C1=CC=C2N=CN=CC2=C1 MC425062 [0,0,0,0,0,1|3,0,0]=4 199 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 CS11276 [0,0,0,0,0,1|0,0,1]=2 200 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 CS21462 [0,0,0,0,0,1|0,0,1]=2 201 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 CS21460 [0,0,0,0,0,1|1,0,1]=3 202 B14R2.781 O=C(O)C1=NC2=CN=CC=C2C=C1 MC442821 [0,0,0,0,0,1|1,0,1]=3 203 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 CS10016 [0,0,0,0,0,1|0,0,2]=3 204 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 CS11441 [0,0,0,0,0,1|0,0,2]=3 205 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 MC438185 [0,0,0,0,0,1|0,0,2]=3 206 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 MC438186 [0,0,0,0,0,1|0,0,2]=3 207 B14R2.781 O=C(O)C1CNC2=CC=CC=C2C1 MC106685 [0,0,0,0,0,1|0,0,2]=3 208 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS14213 [0,0,0,0,0,1|1,0,2]=4 209 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15696 [0,0,0,0,0,1|1,0,2]=4 210 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15697 [0,0,0,0,0,1|1,0,2]=4 211 B14R2.781 OB(O)C1=CC2=CC=CC=C2C=C1 CS10062 [0,0,0,0,0,1|2,0,1]=4 212 B14R2.781 OB(O)C1=CC2=CC=CC=C2N=C1 CS21553 [0,0,0,0,0,1|1,0,2]=4 213 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [1,0,1,0,0,0|1,0,0]=3 214 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [1,0,1,0,0,0|0,0,2]=4 215 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425129 [1,0,1,0,0,0|1,0,1]=4 216 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425915 [1,0,1,0,0,0|1,0,1]=4 217 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [1,0,1,0,0,0|0,0,1]=3 218 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [1,0,1,0,0,0|0,0,0]=2 219 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [1,0,1,0,0,0|1,0,0]=3 220 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [1,0,1,0,0,0|1,0,0]=3 221 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 MC443830 [1,0,1,0,0,0|1,0,1]=4 222 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 MC442565 [1,0,1,0,0,0|1,0,1]=4 223 B11R2.10 BrC1=CC2=CC=CC=C2C1 CS21490 [2,0,0,0,0,0|2,0,0]=4 224 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 CS21331 [2,0,0,0,0,0|2,0,0]=4 225 B11R2.10 CC1=CC2=C(C=CN=C2)N1 CS15018 [2,0,0,0,0,0|1,0,1]=4 226 B11R2.10 CC1=CC2=CC=CC=C2C1 CS11052 [2,0,0,0,0,0|1,0,1]=4 227 B11R2.10 CC1=CC2=CC=CC=C2N1 CS18563 [2,0,0,0,0,0|0,0,1]=3 228 B11R2.10 CC1=CC2=CC=CN=C2N1 CS19733 [2,0,0,0,0,0|1,0,1]=4 229 B11R2.10 CC1=CC2=CC=NC=C2N1 MC104002 [2,0,0,0,0,0|1,0,1]=4 230 B11R2.10 CC1=CC2=NC=CC=C2N1 CS15017 [2,0,0,0,0,0|1,0,1]=4 231 B11R2.10 CC1=NC2=C(C=CC=C2)N1 CS15288 [2,0,0,0,0,0|1,0,1]=4 232 B11R2.10 ClC1=CC2=CC=CC=C2N1 MC444183 [2,0,0,0,0,0|1,0,0]=3 233 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 CS21427 [2,0,0,0,0,0|2,0,0]=4 234 B11R2.10 IC1=CC2=CC=CN=C2N1 CS15616 [2,0,0,0,0,0|2,0,0]=4 235 B11R2.10 NC1=CC2=C(C=CC=C2)S1 CS12846 [2,0,0,0,0,0|2,0,0]=4 236 B11R2.10 NC1=NC2=C(C=CC=C2)N1 CS16315 [2,0,0,0,0,0|2,0,0]=4 237 B11R2.10 O=C1CC2=C(C=CC=C2)O1 MC20944 [2,0,0,0,0,0|1,0,1]=4 238 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [2,0,0,0,0,0|1,0,1]=4 239 B11R2.10 O=C1CC2=CC=CC=C2N1 CS15184 [2,0,0,0,0,0|0,0,1]=3 240 B11R2.10 O=C1CC2=CC=NC=C2N1 MC100071 [2,0,0,0,0,0|1,0,1]=4 241 B11R2.10 O=C1NC2=C(C=CC=C2)O1 CS15190 [2,0,0,0,0,0|1,0,0]=3 242 B11R2.10 O=C1NC2=CC=CN=C2N1 CS20518 [2,0,0,0,0,0|2,0,0]=4 243 B11R2.10 O=C1NC2=NC=CC=C2O1 CS18902 [2,0,0,0,0,0|2,0,0]=4 244 B11R2.10 O=C1OC2=C(C=CC=C2)O1 CS10973 [2,0,0,0,0,0|2,0,0]=4 245 B11R2.10 OC1=CN2C=CC=CC2=N1 CS15598 [2,0,0,0,0,0|1,0,1]=4 246 B11R2.10 OC1=NC2=C(C=CC=C2)N1 CS20242 [2,0,0,0,0,0|1,0,0]=3 247 B11R2.10 OC1=NC2=C(C=NC=C2)N1 MC425145 [2,0,0,0,0,0|2,0,0]=4 248 B11R2.10 OC1=NN2C=CC=CC2=C1 MC106909 [2,0,0,0,0,0|1,0,1]=4 249 B11R2.10 SC1=NC2=C(C=CC=C2)N1 MC20678 [2,0,0,0,0,0|1,1,0]=4 250 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 MC437927 [0,1,1,0,0,0|0,0,2]=4 251 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 MC437928 [0,1,1,0,0,0|0,0,2]=4 252 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O CS10882 [0,1,1,0,0,0|0,0,2]=4 253 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O MC40196 [0,1,1,0,0,0|0,0,2]=4 254 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O MC426010 [0,1,1,0,0,0|0,0,2]=4 255 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O CS10883 [0,1,1,0,0,0|0,0,2]=4 256 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O MC436857 [0,1,1,0,0,0|0,0,2]=4 257 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O CS10886 [0,1,1,0,0,0|0,0,2]=4 258 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O CS22841 [0,1,1,0,0,0|0,0,2]=4 259 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O MC428050 [0,1,1,0,0,0|0,0,2]=4 260 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O MC428053 [0,1,1,0,0,0|0,0,2]=4 261 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O CS10887 [0,1,1,0,0,0|0,0,2]=4 262 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O MC106641 [0,1,1,0,0,0|0,0,2]=4 263 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O MC426012 [0,1,1,0,0,0|0,0,2]=4 264 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O CS19139 [0,1,1,0,0,0|0,0,2]=4 265 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O CS19180 [0,1,1,0,0,0|0,0,2]=4 266 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O MC436856 [0,1,1,0,0,0|0,0,2]=4 267 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O MC439349 [0,1,1,0,0,0|0,0,2]=4 268 B13R1.133 NC(Cc1ccc(F)cc1)C(=O)O MC439087 [0,1,1,0,0,0|0,0,2]=4 269 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 MC436187 [0,1,1,0,0,0|0,0,2]=4 270 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 MC436188 [0,1,1,0,0,0|0,0,2]=4 271 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 MC436189 [0,1,1,0,0,0|0,0,2]=4 272 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 MC439242 [0,1,1,0,0,0|0,0,2]=4 273 B13R1.133 [15NH2]C(Cc1ccc(O)cc1)C(=O)O MC438264 [0,1,1,0,0,0|0,0,2]=4 274 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 CS11158 [0,1,1,0,0,0|0,0,2]=4 275 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 MC428077 [0,1,1,0,0,0|0,0,2]=4 276 B13R1.135 COC(=O)C(N)Cc1ccccc1 MC438088 [0,1,1,0,0,0|0,0,2]=4 277 B13R1.148 CC1=CC=CC(NC(C)C(=O)O)=C1 MC426011 [0,1,1,0,0,0|0,0,2]=4 278 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O CS14986 [0,1,1,0,0,0|0,0,2]=4 279 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O MC112761 [0,1,1,0,0,0|0,0,2]=4 280 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O MC20846 [0,1,1,0,0,0|0,0,2]=4 281 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O MC428048 [0,1,1,0,0,0|0,0,2]=4 282 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O MC428051 [0,1,1,0,0,0|0,0,2]=4 283 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O MC428052 [0,1,1,0,0,0|0,0,2]=4 284 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O MC439128 [0,1,1,0,0,0|0,0,2]=4 285 B13R1.148 NC(Cc1cccc(Br)c1)C(=O)O MC439273 [0,1,1,0,0,0|0,0,2]=4 286 B13R1.148 NC(Cc1cccc(Cl)c1)C(=O)O MC439089 [0,1,1,0,0,0|0,0,2]=4 287 B13R1.148 NC(Cc1cccc(Cl)c1)C(=O)O MC439095 [0,1,1,0,0,0|0,0,2]=4 288 B13R1.148 NC(Cc1cccc(Cl)c1)C(=O)O MC439404 [0,1,1,0,0,0|0,0,2]=4 289 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 MC438101 [0,1,1,0,0,0|0,0,2]=4 290 B13R1.202 Cc1ccccc1CC(N)C(=O)O MC439281 [0,1,1,0,0,0|0,0,2]=4 291 B13R1.202 NC(CC1=C(Cl)C=CC=C1)C(=O)O CS13435 [0,1,1,0,0,0|0,0,2]=4 292 B13R1.202 NC(CC1=C(Cl)C=CC=C1)C(=O)O CS18722 [0,1,1,0,0,0|0,0,2]=4 293 B13R1.202 NC(CC1=C(F)C=CC=C1)C(=O)O MC428049 [0,1,1,0,0,0|0,0,2]=4 294 B13R1.202 NC(CC1=C(F)C=CC=C1)C(=O)O MC429431 [0,1,1,0,0,0|0,0,2]=4 295 B13R1.202 NC(Cc1ccccc1Br)C(=O)O MC439172 [0,1,1,0,0,0|0,0,2]=4 296 B13R1.202 NC(Cc1ccccc1Br)C(=O)O MC439350 [0,1,1,0,0,0|0,0,2]=4 297 B13R1.202 NC(Cc1ccccc1Cl)C(=O)O MC439094 [0,1,1,0,0,0|0,0,2]=4 298 B13R1.202 NC(Cc1ccccc1F)C(=O)O MC439092 [0,1,1,0,0,0|0,0,2]=4 299 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O CS17818 [0,1,1,0,0,0|0,0,2]=4 300 B13R1.418 CNC(Cc1ccccc1)C(=O)O MC437926 [0,1,1,0,0,0|0,0,2]=4 301 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O MC437929 [0,1,1,0,0,0|0,0,2]=4 302 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O MC437930 [0,1,1,0,0,0|0,0,2]=4 303 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O MC437931 [0,1,1,0,0,0|0,0,2]=4 304 B13R1.164 O=C(O)CNC1=C(F)C=C(F)C=C1 MC116288 [0,1,1,0,0,0|1,0,1]=4 305 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Br)C=C1 MC30040 [0,1,1,0,0,0|1,0,0]=3 306 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1 MC40212 [0,1,1,0,0,0|1,0,0]=3 307 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(O)C=C1 MC40209 [0,1,1,0,0,0|1,0,0]=3 308 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(Br)C=C1 MC40207 [0,1,1,0,0,0|1,0,0]=3 309 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(F)C=C1 MC40213 [0,1,1,0,0,0|1,0,0]=3 310 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(F)=C1 MC40214 [0,1,1,0,0,0|1,0,0]=3 311 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1F MC30192 [0,1,1,0,0,0|1,0,0]=3 312 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1F MC429413 [0,1,1,0,0,0|1,0,0]=3 313 B13R2.43 CC1=CC=C2NC(C#N)=CC2=C1 MC107565 [1,1,0,0,0,0|1,0,1]=4 314 B13R2.43 N#CC1=CC2=CC(Br)=CC=C2N1 CS16885 [1,1,0,0,0,0|1,0,1]=4 315 B13R2.43 NCC1=CC2=CC(Cl)=CC=C2N1 CS16665 [1,1,0,0,0,0|1,0,1]=4 316 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)S1 MC441100 [1,1,0,0,0,0|1,0,0]=3 317 B13R2.43 O=CC1=CC2=CC=C(Cl)C=C2N1 CS16674 [1,1,0,0,0,0|0,0,0]=2 318 B13R2.43 O=CC1=NC2=C(C=CC(F)=C2)N1 MC106940 [1,1,0,0,0,0|1,0,0]=3 319 B13R2.43 OCC1=CC2=C(C=C(Br)C=C2)S1 CS14133 [1,1,0,0,0,0|1,0,1]=4 320 B13R2.43 OCC1=CC2=C(C=CC(Br)=C2)O1 MC427348 [1,1,0,0,0,0|1,0,1]=4 321 B13R2.43 OCC1=NC2=C(C=CC(Br)=C2)N1 MC33336 [1,1,0,0,0,0|1,0,1]=4 322 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 MC33348 [1,1,0,0,0,0|1,0,0]=3 323 B13R2.45 CN1C(CO)=CC2=CC=CC=C21 MC425400 [1,1,0,0,0,0|0,0,1]=3 324 B13R2.54 N#CC1=CC2=C(Br)C=CC=C2N1 MC113397 [1,1,0,0,0,0|1,0,1]=4 325 B13R2.54 N#CC1=CC2=C(Cl)C=CC=C2N1 CS16884 [1,1,0,0,0,0|1,0,1]=4 326 B13R2.54 OCC1=CC2=C(C=CC=C2Br)O1 MC427210 [1,1,0,0,0,0|1,0,1]=4 327 B13R2.400 O=C(O)C1=CC2=C(C=C(Cl)S2)N1 CS14567 [0,1,0,0,1,0|1,0,0]=3 328 B13R2.531 COC(=O)C1=CC2=C(C=CS2)S1 MC10780 [0,1,0,0,1,0|2,0,0]=4 329 B13R2.2334 O=C(O)C1=C(Cl)C2=C(C=CO2)S1 MC110621 [0,1,0,0,1,0|2,0,0]=4 330 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CS2 CS22142 [0,1,0,0,1,0|1,0,0]=3 331 B15R2.1569 COC(=O)NC1=NC2=C(C=CC=C2)N1 MC34215 [0,1,0,0,0,1|1,0,0]=3 332 B15R2.627 CC1=C(C(=O)O)C=CC2=CC=CC=C21 MC431943 [0,1,0,0,0,1|1,0,0]=3 333 B15R2.627 NC1=C(C(=O)O)C=CC2=CC=CC=C21 CS16433 [0,1,0,0,0,1|1,0,0]=3 334 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2C=C1 CS16169 [0,1,0,0,0,1|1,0,0]=3 335 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2N=C1 CS11280 [0,1,0,0,0,1|0,0,1]=3 336 B15R2.627 O=C(O)C1=CNC2=CC=CC=C2C1=O CS23023 [0,1,0,0,0,1|0,0,0]=2 337 B15R2.627 O=C(O)C1=NNC2=CC=CC=C2C1=O MC427220 [0,1,0,0,0,1|0,0,0]=2 338 B15R2.984 CC1=CC2=CC=CC=C2C=C1C(=O)O MC431948 [0,1,0,0,0,1|1,0,0]=3 339 B15R2.984 CC1=NC2=CC=CC=C2N=C1C(=O)[O-] MC100893 [0,1,0,0,0,1|0,0,2]=4 340 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O CS16286 [0,1,0,0,0,1|1,0,0]=3 341 B15R2.984 O=C(O)C1=NC2=CC=CC=C2C=C1Cl MC110562 [0,1,0,0,0,1|0,0,1]=3 342 B15R2.984 O=C(O)C1=NC2=CC=CC=C2N=C1Cl CS14790 [0,1,0,0,0,1|0,0,1]=3 343 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=N1 MC33372 [0,1,0,0,0,1|0,0,1]=3 344 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2N=C1 CS16739 [0,1,0,0,0,1|0,0,1]=3 345 B15R2.1601 COC(=O)C1CC2=CC=CC=C2CN1 CS17234 [0,1,0,0,0,1|0,0,2]=4 346 B15R2.1601 COC(=O)C1CC2=CC=CC=C2CN1 MC106958 [0,1,0,0,0,1|0,0,2]=4 347 B15R2.4441 O=S(=O)(O)C1=CC2=CC=CC=C2C=C1 CS21707 [0,1,0,0,0,1|2,0,0]=4 348 B15R2.4441 O=S(=O)(O)C1=CC2=CC=CC=C2C=C1 MC40424 [0,1,0,0,0,1|2,0,0]=4 349 B15R2.7174 NC1=CC=C2C=CC(C(=O)O)=NC2=C1 MC106308 [0,1,0,0,0,1|0,0,1]=3 350 B15R2.7174 O=C(O)C1=CC2=CC(Br)=CC=C2C=C1 MC111503 [0,1,0,0,0,1|1,0,0]=3 351 B15R2.7174 O=C(O)C1=CC2=CC(Br)=CC=C2C=N1 CS17427 [0,1,0,0,0,1|0,0,1]=3 352 B15R2.7174 O=C(O)C1=CC2=CC(Cl)=CC=C2N=C1 CS12395 [0,1,0,0,0,1|0,0,1]=3 353 B15R2.7174 O=C(O)C1=CC2=CC(O)=CC=C2C=C1 MC441104 [0,1,0,0,0,1|1,0,0]=3 354 B15R2.7174 O=C(O)C1=CC=C2C=CC(O)=NC2=C1 MC102751 [0,1,0,0,0,1|2,0,0]=4 355 B15R2.7174 O=C(O)C1=CC=C2C=NC(F)=CC2=C1 MC432290 [0,1,0,0,0,1|2,0,0]=4 356 B15R2.7174 O=C(O)C1=NC2=CC(Br)=CC=C2C=C1 CS15617 [0,1,0,0,0,1|0,0,1]=3 357 B15R2.7180 CC(=O)C1=CC2=CC=C(N)C=C2C=C1 MC428178 [0,1,0,0,0,1|2,0,0]=4 358 B15R2.7180 CC(=O)C1=CC2=CC=C(O)C=C2C=C1 MC428179 [0,1,0,0,0,1|2,0,0]=4 359 B15R2.7180 CC1=NC2=CC=C(C(=O)O)C=C2C=C1 CS21684 [0,1,0,0,0,1|2,0,0]=4 360 B15R2.7180 NC1=NC2=CC=C(C(=O)O)C=C2C=C1 MC106806 [0,1,0,0,0,1|2,0,0]=4 361 B15R2.7180 O=C(O)C1=CC2=CC=C(Br)C=C2C=N1 CS14423 [0,1,0,0,0,1|0,0,1]=3 362 B15R2.7180 O=C(O)C1=CC2=CC=C(Cl)C=C2C=C1 MC442586 [0,1,0,0,0,1|1,0,0]=3 363 B15R2.7180 O=C(O)C1=CC2=CC=C(F)C=C2C=N1 MC431272 [0,1,0,0,0,1|0,0,1]=3 364 B15R2.7180 O=C(O)C1=CC2=CC=C(O)C=C2C=C1 CS11551 [0,1,0,0,0,1|1,0,0]=3 365 B15R2.7180 O=C(O)C1=CC=C2N=C(Cl)C=CC2=C1 CS12217 [0,1,0,0,0,1|2,0,0]=4 366 B15R2.7180 O=C(O)C1=NC2=CC=C(Br)C=C2C=C1 CS19976 [0,1,0,0,0,1|0,0,1]=3 367 B15R2.7180 O=C(O)C1CC2=CC=C(O)C=C2CN1 MC437779 [0,1,0,0,0,1|0,0,2]=4 368 B15R2.7180 O=C(O)C1CC2=CC=C(O)C=C2CN1 MC437780 [0,1,0,0,0,1|0,0,2]=4 369 B15R2.13598 O=C(O)C1=CC2=CC=CC(Br)=C2C=C1 CS10277 [0,1,0,0,0,1|1,0,0]=3 370 B15R2.13598 O=C(O)C1=CC2=CC=CC(Br)=C2N=C1 CS17428 [0,1,0,0,0,1|0,0,1]=3 371 B15R2.13598 O=C(O)C1=NC2=CC=CC(Br)=C2C=C1 CS14559 [0,1,0,0,0,1|0,0,1]=3 372 B15R2.14951 NC1=CC(C(=O)O)=NC2=CC=CC=C12 MC431374 [0,1,0,0,0,1|0,0,1]=3 373 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2O1 CS10056 [0,1,0,0,0,1|1,0,0]=3 374 B15R2.61353 CC1=CC=CC2=CC=C(C(=O)O)C=C12 MC431946 [0,1,0,0,0,1|1,0,0]=3 375 B15R2.61353 O=C(O)C1=CC=C2N=CC=C(Br)C2=C1 CS12357 [0,1,0,0,0,1|2,0,0]=4 376 B15R2.1592 COC(=O)C1=C(C)C2=C(C=CC=C2)S1 CS18125 [0,2,0,0,0,0|1,0,0]=3 377 B15R2.1592 COC(=O)C1=C(N)C2=CC=CN=C2S1 MC441873 [0,2,0,0,0,0|2,0,0]=4 378 B15R2.1592 COC(=O)C1=CC2=CC=CC=C2N1C MC425392 [0,2,0,0,0,0|0,0,0]=2 379 B15R2.1592 COC(=O)C1=CC2=CC=CN=C2N1C MC100232 [0,2,0,0,0,0|1,0,0]=3 380 B15R2.4190 COC1=C(C(=O)O)OC2=C1C=CC=C2 MC41796 [0,2,0,0,0,0|1,0,0]=3 381 B15R2.7203 O=C(O)C1=C(F)N2C=C(Cl)C=CC2=N1 MC430898 [0,2,0,0,0,0|1,0,1]=4 382 B15R2.13463 CN1C(C(=O)O)=CC2=C1N=CN=C2Cl MC101931 [0,2,0,0,0,0|2,0,0]=4 383 B15R2.14758 CC1=CC2=C(C=C1)C(Cl)=C(C(=O)O)S2 MC41768 [0,2,0,0,0,0|1,0,0]=3 384 B15R2.14758 CC1=CC2=NC(C(=O)O)=C(Br)N2C=C1 MC443523 [0,2,0,0,0,0|1,0,1]=4 385 B15R2.14758 O=C(O)C1=C(Cl)C2=C(C=C(F)C=C2)S1 MC429938 [0,2,0,0,0,0|1,0,0]=3 386 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)O1 CS11399 [0,2,0,0,0,0|1,0,0]=3 387 B15R2.1356 CCOC(=O)C1=CC2=CC=CC=C2N1 CS22269 [0,2,0,0,0,0|0,0,0]=2 388 B15R2.1356 CCOC(=O)C1=CC2=CC=CN=C2N1 CS13131 [0,2,0,0,0,0|1,0,0]=3 389 B15R2.1356 CCOC(=O)C1=CC2=CC=NC=C2O1 MC425021 [0,2,0,0,0,0|2,0,0]=4 390 B15R2.1356 CCOC(=O)C1=CC2=NC=CC=C2N1 CS15307 [0,2,0,0,0,0|1,0,0]=3 391 B15R2.1356 CCOC(=O)C1=NC2=C(C=CC=C2)O1 MC116144 [0,2,0,0,0,0|1,0,1]=4 392 B15R2.1356 CCOC(=O)C1=NC2=C(C=CC=C2)S1 CS11319 [0,2,0,0,0,0|1,0,1]=4 393 B15R2.1590 COC(=O)C1=CC2=C(C=C(Br)C=C2)S1 CS17630 [0,2,0,0,0,0|1,0,0]=3 394 B15R2.1590 COC(=O)C1=CC2=C(C=C(F)C=C2)O1 MC429631 [0,2,0,0,0,0|1,0,0]=3 395 B15R2.1590 COC(=O)C1=CC2=C(C=C(O)C=C2)O1 MC442771 [0,2,0,0,0,0|1,0,0]=3 396 B15R2.1590 COC(=O)C1=CC2=C(C=CC(Br)=C2)O1 MC427283 [0,2,0,0,0,0|1,0,0]=3 397 B15R2.1590 COC(=O)C1=CC2=C(C=CC(O)=C2)O1 MC442769 [0,2,0,0,0,0|1,0,0]=3 398 B15R2.1590 COC(=O)C1=CC2=CC(Br)=CN=C2N1 MC444550 [0,2,0,0,0,0|1,0,0]=3 399 B15R2.1590 COC(=O)C1=CC2=CC(Br)=CN=C2S1 MC441325 [0,2,0,0,0,0|2,0,0]=4 400 B15R2.1590 COC(=O)C1=CC2=CC(Cl)=CN=C2N1 CS12234 [0,2,0,0,0,0|1,0,0]=3 401 B15R2.1590 COC(=O)C1=CC2=CC(F)=CN=C2N1 MC101923 [0,2,0,0,0,0|1,0,0]=3 402 B15R2.1590 COC(=O)C1=CC2=CC(N)=CN=C2N1 MC430068 [0,2,0,0,0,0|1,0,0]=3 403 B15R2.1590 COC(=O)C1=CC2=CC=C(Br)C=C2N1 CS18269 [0,2,0,0,0,0|0,0,0]=2 404 B15R2.1590 COC(=O)C1=CC2=CC=C(Cl)N=C2N1 MC112953 [0,2,0,0,0,0|1,0,0]=3 405 B15R2.1590 COC(=O)C1=CC2=CN=C(Cl)C=C2N1 MC104557 [0,2,0,0,0,0|1,0,0]=3 406 B15R2.1590 COC(=O)C1=CC2=NC=C(Br)C=C2N1 MC103782 [0,2,0,0,0,0|1,0,0]=3 407 B15R2.1590 COC(=O)C1=CC2=NC=C(Cl)C=C2N1 MC102041 [0,2,0,0,0,0|1,0,0]=3 408 B15R2.1590 COC(=O)C1=NC2=C(C=C(Br)C=C2)S1 MC105735 [0,2,0,0,0,0|1,0,1]=4 409 B15R2.1590 COC(=O)C1=NC2=NC(Br)=CC=C2N1 CS13144 [0,2,0,0,0,0|2,0,0]=4 410 B15R2.1598 COC(=O)C1=CC2=C(Br)C=CC=C2N1 CS12477 [0,2,0,0,0,0|0,0,0]=2 411 B15R2.1598 COC(=O)C1=CC2=C(Br)C=CN=C2S1 MC441324 [0,2,0,0,0,0|2,0,0]=4 412 B15R2.1598 COC(=O)C1=CC2=C(Br)C=NC=C2S1 MC441102 [0,2,0,0,0,0|2,0,0]=4 413 B15R2.1598 COC(=O)C1=CC2=C(C=CC=C2F)S1 MC429393 [0,2,0,0,0,0|1,0,0]=3 414 B15R2.1598 COC(=O)C1=CC2=C(C=CN=C2Cl)S1 MC441334 [0,2,0,0,0,0|2,0,0]=4 415 B15R2.1598 COC(=O)C1=CC2=C(Cl)C=CN=C2N1 CS12352 [0,2,0,0,0,0|1,0,0]=3 416 B15R2.1598 COC(=O)C1=CC2=C(N=CN=C2Cl)N1 MC112987 [0,2,0,0,0,0|2,0,0]=4 417 B15R2.1598 COC(=O)C1=CC2=C(O1)C(Br)=CC=C2 MC427137 [0,2,0,0,0,0|1,0,0]=3 418 B15R2.1598 COC(=O)C1=CC2=C(S1)C(Br)=CC=C2 CS14125 [0,2,0,0,0,0|1,0,0]=3 419 B15R2.1598 COC(=O)C1=CC2=C(S1)C(Cl)=CC=C2 MC443473 [0,2,0,0,0,0|1,0,0]=3 420 B15R2.1598 COC(=O)C1=CC2=C(S1)C(N)=CC=C2 CS18306 [0,2,0,0,0,0|1,0,0]=3 421 B15R2.1598 COC(=O)C1=CC2=CC=CC(Br)=C2N1 CS12675 [0,2,0,0,0,0|0,0,0]=2 422 B15R2.1598 COC(=O)C1=CC2=CC=NC(Cl)=C2S1 MC441329 [0,2,0,0,0,0|2,0,0]=4 423 B15R2.1598 COC(=O)C1=CC2=NC=CC(Cl)=C2N1 MC104075 [0,2,0,0,0,0|1,0,0]=3 424 B15R2.1598 COC(=O)C1=CC2=NC=CC(Cl)=C2S1 MC104016 [0,2,0,0,0,0|2,0,0]=4 425 B15R2.1102 CC(=O)C1=NC2=C(C=C(C)C(C)=C2)N1 MC100872 [0,2,0,0,0,0|2,0,0]=4 426 B15R2.1102 O=C(O)C1=CC2=CC(Br)=C(Cl)C=C2N1 CS16556 [0,2,0,0,0,0|0,0,0]=2 427 B15R2.1102 O=C(O)C1=CC2=CC(F)=C(F)C=C2N1 MC429042 [0,2,0,0,0,0|0,0,0]=2 428 B15R2.1102 O=C(O)C1=CC2=CC(O)=C(O)C=C2N1 CS16586 [0,2,0,0,0,0|0,0,0]=2 429 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)O2 MC443504 [0,2,0,0,0,0|1,0,0]=3 430 B15R2.4834 COC1=CC2=C(C=C1)N=C(C(=O)O)S2 MC425538 [0,2,0,0,0,0|1,0,1]=4 431 B15R2.4834 COC1=CC2=C(C=C1)OC(C(=O)O)=C2 MC445703 [0,2,0,0,0,0|1,0,0]=3 432 B15R2.4834 COC1=CC=C2C=C(C(=O)O)NC2=C1 CS22117 [0,2,0,0,0,0|0,0,0]=2 433 B15R2.4834 COC1=CC=C2NC(C(=O)O)=CC2=C1 MC433918 [0,2,0,0,0,0|0,0,0]=2 434 B15R2.4834 N#CC1=CC2=C(C=C1)OC(C(=O)O)=C2 MC114705 [0,2,0,0,0,0|1,0,0]=3 435 B15R2.4834 N#CC1=CC=C2NC(C(=O)O)=CC2=C1 CS18028 [0,2,0,0,0,0|0,0,0]=2 436 B15R2.7254 O=C(O)C1=CC2=C(F)C(Cl)=CC=C2N1 MC433915 [0,2,0,0,0,0|0,0,0]=2 437 B15R2.15633 CC1=CC2=C(C=C(C(=O)O)O2)C(C)=C1 MC443747 [0,2,0,0,0,0|1,0,0]=3 438 B15R2.15633 NC1=NC(=O)C2=C(NC(C(=O)O)=C2)N1 MC111275 [0,2,0,0,0,0|2,0,0]=4 439 B15R2.15633 NC1=NC2=C(C=C(C(=O)O)N2)C(N)=N1 MC111266 [0,2,0,0,0,0|2,0,0]=4 440 B15R2.15633 O=C(O)C1=CC2=C(C=C(Br)C=C2F)S1 MC441146 [0,2,0,0,0,0|1,0,0]=3 441 B15R2.15633 O=C(O)C1=CC2=C(Cl)C=C(Cl)C=C2N1 CS21360 [0,2,0,0,0,0|0,0,0]=2 442 B15R2.15633 O=C(O)C1=CC2=C(F)C=C(F)C=C2N1 CS21955 [0,2,0,0,0,0|0,0,0]=2 443 B15R2.15633 O=C(O)C1=CC2=C(N1)C(Cl)=NC(Cl)=N2 MC105686 [0,2,0,0,0,0|2,0,0]=4 444 B15R2.14566 CC1=CC=C(C)C2=C1C=C(C(=O)O)O2 MC112170 [0,2,0,0,0,0|1,0,0]=3 445 B15R2.20824 COC1=CC=CC2=C1OC(C(=O)O)=C2 MC441299 [0,2,0,0,0,0|1,0,0]=3 446 B15R2.20824 COC1=CC=CC2=C1SC(C(=O)O)=C2 MC443138 [0,2,0,0,0,0|1,0,0]=3 447 B13R2.369 NC1=CC2=CC=CC=C2C=C1I MC431733 [0,0,1,1,0,0|2,0,0]=4 448 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 MC443731 [0,0,1,1,0,0|2,0,0]=4 449 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 MC41751 [0,0,1,1,0,0|2,0,0]=4 450 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 MC432422 [0,0,1,1,0,0|2,0,0]=4 451 B13R2.5179 O=C1C=CC2=C(Cl)C=CC=C2N1 MC103322 [0,0,1,1,0,0|2,0,0]=4 452 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 CS15075 [0,0,1,1,0,0|2,0,0]=4 453 B13R2.72 O=C(O)C1=C2C=CC=CN2C=N1 CS11483 [0,0,1,1,0,0|1,0,1]=4 454 B13R2.72 O=C(O)C1=CN=C2C=CC=CN12 CS11476 [0,0,1,1,0,0|1,0,0]=3 455 B13R2.72 O=C(O)C1=CN=C2C=NC=CN12 MC111884 [0,0,1,1,0,0|2,0,0]=4 456 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 CS22270 [0,0,1,1,0,0|2,0,0]=4 457 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 CS10958 [0,0,1,1,0,0|2,0,0]=4 458 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 CS10762 [0,0,1,1,0,0|1,0,1]=4 459 B13R2.72 O=C(O)C1=NOC2=C1C=CC=C2 CS20483 [0,0,1,1,0,0|1,0,1]=4 460 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CS21477 [0,0,1,1,0,0|2,0,0]=4 461 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 MC441149 [0,0,1,1,0,0|2,0,0]=4 462 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=N1 CS15936 [0,0,1,1,0,0|1,0,1]=4 463 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 MC441167 [0,0,1,1,0,0|2,0,0]=4 464 B13R2.430 O=C(O)C1=CC2=C(C=CS2)C=C1 MC441150 [0,0,1,1,0,0|2,0,0]=4 465 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 CS22275 [0,0,1,1,0,0|2,0,0]=4 466 B13R2.430 O=C(O)C1=CC=C2C=CNC2=N1 MC444446 [0,0,1,1,0,0|1,0,1]=4 467 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 CS22274 [0,0,1,1,0,0|2,0,0]=4 468 B13R2.430 O=C(O)C1=NC=C2NC=CC2=C1 CS16880 [0,0,1,1,0,0|1,0,1]=4 469 B13R2.430 O=C(O)C1=NC=C2OC=CC2=C1 CS14661 [0,0,1,1,0,0|1,0,1]=4 470 B13R2.5569 O=C(O)C1=C2C=COC2=CC=C1 MC104458 [0,0,1,1,0,0|2,0,0]=4 471 B13R2.5569 O=C(O)C1=C2NC=CC2=CC=C1 CS10991 [0,0,1,1,0,0|2,0,0]=4 472 B13R2.5569 O=C(O)C1=C2SC=CC2=CC=N1 MC104820 [0,0,1,1,0,0|1,0,1]=4 473 B13R2.5569 O=C(O)C1=CC=CC2=C1C=CS2 CS10993 [0,0,1,1,0,0|2,0,0]=4 474 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 CS19083 [0,0,1,0,1,0|0,0,0]=2 475 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS10890 [0,0,1,0,1,0|0,0,2]=4 476 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS14544 [0,0,1,0,1,0|0,0,2]=4 477 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 CS15488 [0,0,1,0,1,0|1,0,1]=4 478 B11R1.36 NC(=O)C(N)c1ccccc1 MC438104 [0,0,1,0,1,0|1,0,1]=4 479 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 CS15858 [0,0,1,0,1,0|1,0,1]=4 480 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS11192 [0,0,1,0,1,0|0,0,1]=3 481 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS14083 [0,0,1,0,1,0|0,0,1]=3 482 B11R1.36 NC(C(=O)O)c1ccccc1 MC438102 [0,0,1,0,1,0|0,0,1]=3 483 B11R1.36 NC(C(=O)O)c1ccccc1 MC438103 [0,0,1,0,1,0|0,0,1]=3 484 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10861 [0,0,1,0,1,0|1,0,1]=4 485 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10862 [0,0,1,0,1,0|1,0,1]=4 486 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS15279 [0,0,1,0,1,0|1,0,1]=4 487 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 MC427446 [0,0,1,0,1,0|2,0,0]=4 488 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 CS21203 [0,0,1,0,1,0|2,0,0]=4 489 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 CS21083 [0,0,1,0,1,0|0,0,2]=4 490 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 CS20995 [0,0,1,0,1,0|0,0,1]=3 491 B11R1.86 NC1=C(CC(=O)O)C=NC=C1 MC111253 [0,0,1,0,1,0|1,0,1]=4 492 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 CS20809 [0,0,1,0,1,0|1,0,1]=4 493 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 CS20826 [0,0,1,0,1,0|1,0,1]=4 494 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 MC429403 [0,0,1,0,1,0|1,0,1]=4 495 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 CS20849 [0,0,1,0,1,0|1,0,1]=4 496 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 CS20941 [0,0,1,0,1,0|1,0,1]=4 497 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 CS11157 [0,0,1,0,0,1|0,0,2]=4 498 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O CS11152 [0,0,1,0,0,1|0,0,2]=4 499 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MC437761 [0,0,1,0,0,1|0,0,2]=4 500 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MC437762 [0,0,1,0,0,1|0,0,2]=4 501 B13R1.351 NC(CSc1ccccc1)C(=O)O MC436913 [0,0,1,0,0,1|0,0,2]=4 502 B13R1.351 NC(C[Se]C1=CC=CC=C1)C(=O)O MC435422 [0,0,1,0,0,1|0,0,2]=4 503 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 MC33249 [1,0,0,0,0,1|0,0,1]=3 504 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 CS10059 [1,0,0,0,0,1|0,0,1]=3 505 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CS10500 [1,0,0,0,0,1|2,0,0]=4 506 B13R2.57 O=CC1=NC2=CC=CN=C2C=C1 MC111419 [1,0,0,0,0,1|1,0,1]=4 507 B13R2.57 O=CC1=NC2=CN=CC=C2C=C1 MC111421 [1,0,0,0,0,1|1,0,1]=4 508 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 CS13773 [1,0,0,0,0,1|1,0,1]=4 509 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 MC33313 [1,0,0,0,0,1|0,0,2]=4 510 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 CS13361 [1,0,0,0,0,1|0,0,2]=4 511 B15R2.1660 O=C(O)COC1=NC2=C(C=CC=C2)S1 CS21319 [0,0,0,0,0,2|1,0,1]=4 512 B15R2.1660 O=C(O)CSc1nc2ccccc2s1 MC41757 [0,0,0,0,0,2|1,0,1]=4 513 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 CS11578 [0,0,0,0,0,2|1,0,0]=3 514 B15R2.1668 O=C(O)CC1=CC=C2N=CC=CC2=C1 CS10766 [0,0,0,0,0,2|2,0,0]=4 515 B15R2.1668 O=C([O-])CC1=NC2=CC=CC=C2C=C1 CS17945 [0,0,0,0,0,2|0,0,2]=4 516 B15R2.1668 O=C([O-])CC1=NC2=CC=CC=C2C=C1 CS17988 [0,0,0,0,0,2|0,0,2]=4