0 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)Br Z1251333005 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)O Z1255419170 [0,0,0,0,0,0|1,0,2]=3 2 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)O Z1198219340 [0,0,0,0,0,0|2,0,2]=4 3 B13R2.32 CC1=C2C=CC=CC2=CC=C1Br Z1269169594 [0,0,0,0,0,0|2,0,2]=4 4 B13R2.32 CC1=C2C=CC=NC2=CC=C1O Z3511186693 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.32 CC1CCC2=C(C1N)C=CC=C2 Z1539988085 [0,0,0,0,0,0|2,0,2]=4 6 B13R2.32 CC1COC2=C(C1O)C=CC=C2 Z1255453699 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 Z56761461 [0,0,0,0,0,0|2,1,1]=4 8 B13R2.32 C[N+]1=C2C=CC=CC2=CC=C1I Z56796163 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.32 ClC1=C(C2=C(C=CC=C2)C=C1)Br Z1269176087 [0,0,0,0,0,0|2,0,2]=4 10 B13R2.32 FC1=C2C=CC=CC2=CC=C1I Z1269152380 [0,0,0,0,0,0|2,0,2]=4 11 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)O Z2689265962 [0,0,0,0,0,0|1,0,2]=3 12 B13R2.32 NC1=C2C=CN=CC2=CC=C1O Z5741578117 [0,0,0,0,0,0|2,0,2]=4 13 B13R2.32 NC1=C2N=CC=CC2=CC=C1O Z3490674240 [0,0,0,0,0,0|2,0,2]=4 14 B13R2.32 NC1C2=C(C=CC=C2)CCC1F Z2791719028 [0,0,0,0,0,0|2,0,2]=4 15 B13R2.32 NC1C2=C(C=CC=C2)OCC1F Z2830459792 [0,0,0,0,0,0|3,0,1]=4 16 B13R2.32 NC1COC2=C(C1O)C=CC=C2 Z2146515656 [0,0,0,0,0,0|2,0,1]=3 17 B13R2.32 N[C@@H]1COC2=C([C@H]1O)C=CC=C2 Z4354027077 [0,0,0,0,0,0|2,0,1]=3 18 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@@H]1O Z3070471251 [0,0,0,0,0,0|1,0,2]=3 19 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@H]1O Z2901813806 [0,0,0,0,0,0|1,0,2]=3 20 B13R2.32 N[C@H]1C2=C(C=CC=C2)OC[C@H]1O Z3212210130 [0,0,0,0,0,0|2,0,1]=3 21 B13R2.32 O=C1C2=C(C=CC=C2)OCC1O Z1513597915 [0,0,0,0,0,0|1,0,3]=4 22 B13R2.32 O=C1C=CC2=C(C1=O)C=CC=C2 Z324553598 [0,0,0,0,0,0|0,0,4]=4 23 B13R2.32 OC1=C(C2=C(C=C1)N=CC=C2)Br Z3483423016 [0,0,0,0,0,0|2,0,2]=4 24 B13R2.32 OC1=C(C2=C(C=C1)N=CC=C2)O Z3490235350 [0,0,0,0,0,0|1,0,2]=3 25 B13R2.32 OC1=C(C2=C(C=CC=C2)C=C1)Br Z56913130 [0,0,0,0,0,0|1,0,2]=3 26 B13R2.32 OC1=C(C2=C(C=CC=N2)C=C1)Br Z2528346966 [0,0,0,0,0,0|2,0,2]=4 27 B13R2.32 OC1=C(C2=C(C=CN=C2)C=C1)Br Z4912586679 [0,0,0,0,0,0|2,0,2]=4 28 B13R2.32 OC1=C2C=CC=CC2=CC=C1Br Z1269199494 [0,0,0,0,0,0|1,0,2]=3 29 B13R2.32 OC1=C2C=CC=CC2=CC=C1Cl Z1255445829 [0,0,0,0,0,0|1,0,2]=3 30 B13R2.32 OC1=C2C=CC=CC2=CC=C1F Z1198170673 [0,0,0,0,0,0|1,0,2]=3 31 B13R2.32 OC1=C2C=CC=CC2=NC=C1Br Z1269167050 [0,0,0,0,0,0|2,0,2]=4 32 B13R2.32 OC1=C2N=CC=CC2=CC=C1Cl Z3489764435 [0,0,0,0,0,0|2,0,2]=4 33 B12R2.24 BrC1=CC2=C(C=CC=C2)C=C1 Z166622678 [1,0,0,0,0,0|1,0,2]=4 34 B12R2.24 CC1=CC2=C(C=CC=C2)C=C1 Z104476894 [1,0,0,0,0,0|1,0,2]=4 35 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 Z56926563 [1,0,0,0,0,0|2,0,1]=4 36 B12R2.24 CC1CC2=C(C=CC=C2)CN1 Z979717380 [1,0,0,0,0,0|2,0,1]=4 37 B12R2.24 CC1CNC2=C(C1)C=CC=C2 Z1118526687 [1,0,0,0,0,0|2,0,1]=4 38 B12R2.24 C[C@@H]1CC2=C(C=CC=C2)CN1 Z1203733478 [1,0,0,0,0,0|2,0,1]=4 39 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 Z56791123 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.24 ClC1=CC2=C(C=CC=C2)C=C1 Z1255485910 [1,0,0,0,0,0|1,0,2]=4 41 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 Z104494980 [1,0,0,0,0,0|1,0,2]=4 42 B12R2.24 NC1=NC2=C(C=CC=C2)C=C1 Z56347237 [1,0,0,0,0,0|2,0,1]=4 43 B12R2.24 NC1CCC2=C(C1)C=CC=C2 Z992716772 [1,0,0,0,0,0|1,0,2]=4 44 B12R2.24 NC1COC2=C(C1)C=CC=C2 Z415636540 [1,0,0,0,0,0|2,0,1]=4 45 B12R2.24 O=C1C=CC2=C(N1)C=CC=C2 Z57473020 [1,0,0,0,0,0|1,0,2]=4 46 B12R2.24 O=C1C=CC2=C(O1)C=CC=C2 Z57169486 [1,0,0,0,0,0|1,0,2]=4 47 B12R2.24 OC1=CC2=C(C=C1)C=NC=C2 Z2753800586 [1,0,0,0,0,0|1,0,2]=4 48 B12R2.24 OC1=CC2=C(C=C1)N=CC=C2 Z759294450 [1,0,0,0,0,0|1,0,2]=4 49 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 Z57127515 [1,0,0,0,0,0|0,0,2]=3 50 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 Z1255419538 [1,0,0,0,0,0|1,0,2]=4 51 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 Z56928661 [1,0,0,0,0,0|1,0,2]=4 52 B12R2.24 OC1CCC2=C(C1)C=CC=C2 Z445987178 [1,0,0,0,0,0|0,0,2]=3 53 B12R2.24 OC1CN=C2C=CC=CN2C1 Z1346385602 [1,0,0,0,0,0|2,0,1]=4 54 B12R2.24 OC1CNC2=C(C1)C=CC=C2 Z1198341064 [1,0,0,0,0,0|1,0,1]=3 55 B12R2.24 SC1=NC2=C(C=CC=C2)C=C1 Z203045038 [1,0,0,0,0,0|1,1,1]=4 56 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 Z104475342 [1,0,0,0,0,0|1,0,2]=4 57 B12R2.1081 CC1=C2C=CC=CC2=CC=N1 Z1255415440 [1,0,0,0,0,0|2,0,1]=4 58 B12R2.1081 CC1CCNC2=C1C=CC=C2 Z382691338 [1,0,0,0,0,0|2,0,1]=4 59 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z1741982189 [1,0,0,0,0,0|2,0,1]=4 60 B12R2.1081 ClC1=C2C=CC=CC2=CC=C1 Z104504716 [1,0,0,0,0,0|1,0,2]=4 61 B12R2.1081 FC1=C2C=CC=CC2=CC=C1 Z1162445957 [1,0,0,0,0,0|1,0,2]=4 62 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 Z57127984 [1,0,0,0,0,0|1,0,2]=4 63 B12R2.1081 NC1=C2C=CC=CC2=CC=N1 Z1203162487 [1,0,0,0,0,0|2,0,1]=4 64 B12R2.1081 NC1CCCC2=C1C=CC=C2 Z316170348 [1,0,0,0,0,0|1,0,2]=4 65 B12R2.1081 NC1CCOC2=C1C=CC=C2 Z85923435 [1,0,0,0,0,0|2,0,1]=4 66 B12R2.1081 NC1CCSC2=C1C=CC=C2 Z57066684 [1,0,0,0,0,0|2,0,1]=4 67 B12R2.1081 NC1COCC2=C1C=CC=C2 Z1198178449 [1,0,0,0,0,0|2,0,1]=4 68 B12R2.1081 NC1CSCC2=C1C=CC=C2 Z1695783215 [1,0,0,0,0,0|2,0,1]=4 69 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 Z1442208747 [1,0,0,0,0,0|2,0,1]=4 70 B12R2.1081 N[N+]1=C2C=CC=CC2=CC=C1 Z56760714 [1,0,0,0,0,0|2,0,1]=4 71 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 Z56960237 [1,0,0,0,0,0|1,0,2]=4 72 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 Z1198175817 [1,0,0,0,0,0|1,0,2]=4 73 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 Z104474036 [1,0,0,0,0,0|0,0,2]=3 74 B12R2.1081 OC1=C2C=CC=CC2=CN=C1 Z1198152661 [1,0,0,0,0,0|1,0,2]=4 75 B12R2.1081 OC1=C2C=CC=CC2=NC=C1 Z818727120 [1,0,0,0,0,0|1,0,2]=4 76 B12R2.1081 OC1=C2C=NC=CC2=CC=C1 Z5141131098 [1,0,0,0,0,0|1,0,2]=4 77 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 Z56926518 [1,0,0,0,0,0|1,0,2]=4 78 B12R2.1081 OC1=C2N=CC=CC2=CC=N1 Z1201626988 [1,0,0,0,0,0|2,0,1]=4 79 B12R2.1081 OC1CCCC2=C1C=CC=C2 Z56899171 [1,0,0,0,0,0|0,0,2]=3 80 B12R2.1081 OC1CCCC2=C1C=CC=N2 Z1198156585 [1,0,0,0,0,0|1,0,2]=4 81 B12R2.1081 OC1CCCC2=C1C=NC=C2 Z1255398550 [1,0,0,0,0,0|1,0,2]=4 82 B12R2.1081 OC1CCNC2=C1C=CC=C2 Z1198723522 [1,0,0,0,0,0|1,0,1]=3 83 B12R2.1081 OC1CCOC2=C1C=CC=C2 Z335244980 [1,0,0,0,0,0|1,0,1]=3 84 B12R2.1081 OC1CCSC2=C1C=CC=C2 Z57085790 [1,0,0,0,0,0|1,0,1]=3 85 B12R2.1081 OC1COCC2=C1C=CC=C2 Z1255366473 [1,0,0,0,0,0|1,0,1]=3 86 B12R2.1081 OC1CSCC2=C1C=CC=C2 Z445987402 [1,0,0,0,0,0|1,0,1]=3 87 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 Z1255505566 [1,0,0,0,0,0|1,0,2]=4 88 B12R2.1081 O[C@@H]1CCOC2=C1C=CC=C2 Z959151866 [1,0,0,0,0,0|1,0,1]=3 89 B12R2.1081 O[C@@H]1CCSC2=C1C=CC=C2 Z959151622 [1,0,0,0,0,0|1,0,1]=3 90 B12R2.1081 O[C@H]1CCCC2=C1N=CC=C2 Z1216847007 [1,0,0,0,0,0|1,0,2]=4 91 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 Z959151868 [1,0,0,0,0,0|1,0,1]=3 92 B12R2.1081 O[C@H]1CCSC2=C1C=CC=C2 Z959151626 [1,0,0,0,0,0|1,0,1]=3 93 B14R2.92 COC1=C(C2=C(C=CC=C2)C=C1)I Z1269120774 [0,1,0,0,0,0|1,0,2]=4 94 B14R2.92 N#CC1=CC=C2C=CC=CC2=C1O Z1255363269 [0,1,0,0,0,0|1,0,2]=4 95 B14R2.92 NC1=C2C=CC=CC2=CC=C1CO Z1255359667 [0,1,0,0,0,0|1,0,2]=4 96 B14R2.92 NC1C2=C(C=CC=C2)CCC1CO Z1250167114 [0,1,0,0,0,0|1,0,2]=4 97 B14R2.92 O=CC1=CC=C2C=CC=CC2=C1O Z1201619052 [0,1,0,0,0,0|0,0,3]=4 98 B14R2.92 OCC1=C(C2=C(C=CC=C2)C=C1)Br Z1269186149 [0,1,0,0,0,0|1,0,2]=4 99 B14R2.203 COC1=C2C=CC=CC2=CC=C1O Z2235409306 [0,1,0,0,0,0|0,0,2]=3 100 B14R2.203 O=CC1=C(C=CC2=C1C=CC=C2)O Z57772483 [0,1,0,0,0,0|0,0,3]=4 101 B14R2.7724 NC1=C2C=CC=CC2=C(C(=C1)Cl)O Z1262666984 [0,1,0,0,0,0|1,0,2]=4 102 B14R2.7724 O=C1C=C(C(=O)C2=C1C=CC=C2)O Z104479394 [0,1,0,0,0,0|0,0,3]=4 103 B14R2.29369 CC1=CC2=C(C=C1)C(=C(C=C2)O)C Z1513824724 [0,1,0,0,0,0|1,0,2]=4 104 B14R2.29369 OC1=C(C2=C(C=C1)C=C(C=C2)Br)Cl Z1269181117 [0,1,0,0,0,0|1,0,2]=4 105 B12R1.27 CC(CO)COC1=CC=CC=C1 Z1255385347 [0,0,1,0,0,0|2,0,1]=4 106 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [0,0,1,0,0,0|2,0,1]=4 107 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [0,0,1,0,0,0|2,0,1]=4 108 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [0,0,1,0,0,0|2,0,1]=4 109 B12R1.27 NCC(O)COC1=CC=CC=C1 Z271072310 [0,0,1,0,0,0|2,0,1]=4 110 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Z1201626370 [0,0,1,0,0,0|1,0,1]=3 111 B12R1.34 CCC(N)C(O)C1=CC=CC=C1 Z1695783907 [0,0,1,0,0,0|1,0,2]=4 112 B12R1.77 COC1=C(C=CC=C1)C(O)CN Z336086524 [0,0,1,0,0,0|2,0,1]=4 113 B12R1.121 NCC1=C(C=CC=C1)OCCO Z335092218 [0,0,1,0,0,0|2,0,1]=4 114 B12R1.124 CC(N)C(O)C1=C(C=CC=C1)F Z1272096622 [0,0,1,0,0,0|2,0,1]=4 115 B12R1.124 O=C(O)C(O)C1=C(C=CC=C1)Br Z788000812 [0,0,1,0,0,0|2,0,1]=4 116 B12R1.124 O=C(O)C(O)C1=C(C=CC=C1)I Z1269111466 [0,0,1,0,0,0|2,0,1]=4 117 B12R1.124 O=C(O)[C@H](O)C1=C(C=CC=C1)Cl Z1255488133 [0,0,1,0,0,0|2,0,1]=4 118 B12R2.18 CC1C2=C(C=CC=C2)CC1N Z1203580431 [0,0,0,0,1,0|2,0,1]=4 119 B12R2.18 CC1C2=C(C=CC=C2)CC1O Z1349231024 [0,0,0,0,1,0|1,0,1]=3 120 B12R2.18 CC1CC2=C(C1N)C=CC=C2 Z1182328130 [0,0,0,0,1,0|2,0,1]=4 121 B12R2.18 CC1OC2=C(C1N)C=CC=C2 Z2160887371 [0,0,0,0,1,0|3,0,0]=4 122 B12R2.18 C[C@@H]1CC2=C([C@H]1N)C=CC=C2 Z4993149521 [0,0,0,0,1,0|2,0,1]=4 123 B12R2.18 C[C@H]1C2=C(C=CC=C2)C[C@H]1N Z2514551594 [0,0,0,0,1,0|2,0,1]=4 124 B12R2.18 NC1CC2=C(C1O)C=CC=C2 Z1431905060 [0,0,0,0,1,0|1,0,1]=3 125 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O Z784894996 [0,0,0,0,1,0|1,0,1]=3 126 B12R2.18 N[C@@H]1CC2=C([C@H]1O)C=CC=C2 Z2307327484 [0,0,0,0,1,0|1,0,1]=3 127 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z4663003875 [0,0,0,0,1,0|1,0,1]=3 128 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1N Z4749736623 [0,0,0,0,1,0|2,0,1]=4 129 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O Z803127638 [0,0,0,0,1,0|1,0,1]=3 130 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 Z335244966 [0,0,0,0,1,0|1,0,2]=4 131 B12R2.18 OC1C2=C(C=CC=C2)CC1Br Z104485720 [0,0,0,0,1,0|1,0,1]=3 132 B12R2.18 OC1C2=C(C=CC=C2)CC1F Z1509011291 [0,0,0,0,1,0|1,0,1]=3 133 B14R2.279 O[C@H]1C2=C(C=CC=C2)NCC[C@H]1O Z5019640514 [0,0,0,0,0,1|0,0,2]=3 134 B11R1.17 CC1=C(C=CC=C1)CCCO Z979436644 [1,0,1,0,0,0|0,0,2]=4 135 B11R1.17 OCCOC1=C(C=CC=C1)O Z56755902 [1,0,1,0,0,0|1,0,1]=4 136 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [1,0,1,0,0,0|1,0,1]=4 137 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [1,0,1,0,0,0|1,0,1]=4 138 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [1,0,1,0,0,0|1,0,1]=4 139 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [1,0,1,0,0,0|0,0,2]=4 140 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [1,0,1,0,0,0|1,0,1]=4 141 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [1,0,1,0,0,0|0,0,2]=4 142 B11R1.91 OB(O)/C=C/C1=CC=CC=C1 Z2315575087 [1,0,1,0,0,0|1,0,0]=3 143 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [1,0,1,0,0,0|0,0,2]=4 144 B11R1.16 C=CCC(N)C1=CC=NC=C1 Z1268152401 [1,0,1,0,0,0|2,0,0]=4 145 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [1,0,1,0,0,0|2,0,0]=4 146 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [1,0,1,0,0,0|0,0,2]=4 147 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [1,0,1,0,0,0|1,0,1]=4 148 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [1,0,1,0,0,0|1,0,1]=4 149 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [1,0,1,0,0,0|1,0,1]=4 150 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [1,0,1,0,0,0|1,0,1]=4 151 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [1,0,1,0,0,0|1,0,1]=4 152 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [1,0,1,0,0,0|1,0,1]=4 153 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [1,0,1,0,0,0|1,0,1]=4 154 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [1,0,1,0,0,0|2,0,0]=4 155 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,0,1,0,0,0|0,0,2]=4 156 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,0,1,0,0,0|0,0,2]=4 157 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,0,1,0,0,0|0,0,2]=4 158 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,0,1,0,0,0|1,0,1]=4 159 B11R1.41 O=CC1=C(C=CC=C1)CCCl Z420006804 [1,0,1,0,0,0|2,0,0]=4 160 B11R1.53 CC(C)C1=C(C=CC=C1)C=O Z1171158413 [1,0,1,0,0,0|2,0,0]=4 161 B11R1.53 COC1=C(C=CC=C1)[C@@H](C)O Z360055200 [1,0,1,0,0,0|1,0,1]=4 162 B11R1.53 COC1=C(C=CC=C1)[C@H](C)O Z360055194 [1,0,1,0,0,0|1,0,1]=4 163 B11R1.53 CSC1=C(C=CC=C1)C(C)O Z1157829809 [1,0,1,0,0,0|1,0,1]=4 164 B11R1.53 O=CC1=C(C=CC=C1)B(O)O Z415628158 [1,0,1,0,0,0|2,0,0]=4 165 B11R1.222 CC1=C(C=CC=C1)C(N)CO Z385458414 [1,0,1,0,0,0|1,0,1]=4 166 B11R1.222 CC1=C(C=CC=C1)C(O)CN Z336086534 [1,0,1,0,0,0|1,0,1]=4 167 B11R1.222 NC(CO)C1=C(C=CC=C1)F Z1268152413 [1,0,1,0,0,0|2,0,0]=4 168 B11R1.222 NC(CO)C1=C(C=CC=C1)I Z2941400807 [1,0,1,0,0,0|2,0,0]=4 169 B11R1.222 NCC(O)C1=C(C=CC=C1)Cl Z1255523275 [1,0,1,0,0,0|2,0,0]=4 170 B11R2.20 C1=CC2=C(C=C1)C=CC=C2 Z104506008 [2,0,0,0,0,0|0,0,2]=4 171 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 Z104472854 [2,0,0,0,0,0|1,0,1]=4 172 B11R2.20 C1=CC2=C(C=C1)CCC=C2 Z237493310 [2,0,0,0,0,0|0,0,0]=2 173 B11R2.20 C1=CC2=C(C=C1)CNCC2 Z57834231 [2,0,0,0,0,0|1,0,1]=4 174 B11R2.20 C1=CC2=C(C=C1)COCC2 Z756090080 [2,0,0,0,0,0|1,0,1]=4 175 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 Z104472852 [2,0,0,0,0,0|1,0,1]=4 176 B11R2.20 C1=CC2=C(C=C1)OCCC2 Z728136016 [2,0,0,0,0,0|1,0,1]=4 177 B13R1.14 OCC(O)COC1=CC=C(C=C1)Cl Z995094004 [0,1,1,0,0,0|1,0,1]=4 178 B13R1.15 OCC(O)CSC1=CC(=CC=C1)Br Z1346696335 [0,1,1,0,0,0|1,0,1]=4 179 B13R1.15 OCC(O)CSC1=CC(=CC=C1)Cl Z1346696059 [0,1,1,0,0,0|1,0,1]=4 180 B13R1.351 CC(/C=C/C1=CC=CC=C1)C(=O)O Z3241898772 [0,1,1,0,0,0|1,0,1]=4 181 B13R1.152 CC(C1=CC=CC=C1)C(O)C(=O)O Z802846688 [0,1,1,0,0,0|2,0,0]=4 182 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 Z1649893051 [0,1,1,0,0,0|2,0,0]=4 183 B13R1.84 COCCOC1=C(C=CC=C1)CO Z335247042 [0,1,1,0,0,0|1,0,1]=4 184 B13R1.572 O=[N+]([O-])C1=C(C=CC=C1)/C=C/CO Z1198223850 [0,1,1,0,0,0|1,0,1]=4 185 B13R2.57 COC1=CC2=C(C=CC=C2)C=C1 Z53835290 [1,1,0,0,0,0|0,0,2]=4 186 B13R2.57 COC1CNC2=C(C1)C=CC=C2 Z4788665193 [1,1,0,0,0,0|1,0,1]=4 187 B13R2.57 OCC1CNC2=C(C1)C=CC=C2 Z359510194 [1,1,0,0,0,0|1,0,1]=4 188 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 Z1198160868 [1,1,0,0,0,0|1,0,1]=4 189 B13R2.155 CC1=CC2=C(C=C1)C=CC(=C2)O Z1198184356 [1,1,0,0,0,0|0,0,2]=4 190 B13R2.155 CC1=CC2=C(C=C1)C=CC(=N2)O Z3300711621 [1,1,0,0,0,0|1,0,1]=4 191 B13R2.155 OC1=CC2=C(C=C1)C=CC(=C2)O Z104495344 [1,1,0,0,0,0|0,0,2]=4 192 B13R2.155 OC1=CC2=C(C=C1)CCC(C2)O Z1513811314 [1,1,0,0,0,0|0,0,2]=4 193 B13R2.155 OC1CNC2=C(C1)C=C(C=C2)Br Z2733593416 [1,1,0,0,0,0|1,0,1]=4 194 B13R2.155 OC1CNC2=C(C1)C=C(C=C2)F Z1813139692 [1,1,0,0,0,0|1,0,1]=4 195 B13R2.162 NC1=C2C=C(C=CC2=CC=C1)O Z1255461125 [1,1,0,0,0,0|0,0,2]=4 196 B13R2.162 OC1CCC2=C(C1)C(=CC=C2)Br Z1862026178 [1,1,0,0,0,0|0,0,2]=4 197 B13R2.222 CC1(CCC2=C(C1)C=CC=C2)O Z489303234 [1,1,0,0,0,0|0,0,2]=4 198 B13R2.328 CC1CC2=C(C=CC=C2)C(=O)N1 Z1218937049 [1,1,0,0,0,0|2,0,0]=4 199 B13R2.328 OC1=NC2=C(C=CC=C2)C(=C1)Br Z1269205008 [1,1,0,0,0,0|1,0,1]=4 200 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O Z2692093571 [1,1,0,0,0,0|2,0,0]=4 201 B13R2.369 O=C1NC2=C(C=CC=C2)OC1O Z984801448 [1,1,0,0,0,0|2,0,0]=4 202 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)O Z1198148710 [1,1,0,0,0,0|0,0,2]=4 203 B13R2.3683 NC1=CC2=C(C=C1)N=C(C=C2)O Z424995464 [1,1,0,0,0,0|1,0,1]=4 204 B13R2.3683 OC1=CC2=C(C=C1)C=C(C=C2)Br Z57074412 [1,1,0,0,0,0|0,0,2]=4 205 B13R2.3683 OC1=CC2=C(C=C1)C=C(C=C2)O Z1255382953 [1,1,0,0,0,0|0,0,2]=4 206 B13R2.3683 OC1CCC2=C(C1)C=CC(=C2)Br Z449374978 [1,1,0,0,0,0|0,0,2]=4 207 B13R2.5179 OC1=CC2=C(C=C1)C(=CC=C2)O Z57663556 [1,1,0,0,0,0|0,0,2]=4 208 B13R2.5179 OC1=CC=CC2=C1C=CC(=N2)O Z1198306810 [1,1,0,0,0,0|1,0,1]=4 209 B13R2.5179 OC1=CC=CC2=C1NCC(C2)O Z2737445967 [1,1,0,0,0,0|1,0,1]=4 210 B13R2.342 CC1=C2C=CC=C(C2=CC=C1)O Z1198314559 [1,1,0,0,0,0|0,0,2]=4 211 B13R2.342 NC1=C2C=CC=C(C2=CC=C1)O Z104475944 [1,1,0,0,0,0|0,0,2]=4 212 B13R2.342 NC1=C2C=CN=C(C2=CC=C1)O Z2236664363 [1,1,0,0,0,0|1,0,1]=4 213 B13R2.342 NC1=C2OCCC(C2=CC=C1)O Z1463271034 [1,1,0,0,0,0|1,0,1]=4 214 B13R2.342 OC1=C2C=CC=C(C2=CC=C1)Br Z1269146314 [1,1,0,0,0,0|0,0,2]=4 215 B13R2.342 OC1=CC=CC2=C(C=CC=C12)O Z276600344 [1,1,0,0,0,0|0,0,2]=4 216 B13R2.342 OC1=CC=CC2=C1CCCC2O Z104511134 [1,1,0,0,0,0|0,0,2]=4 217 B13R2.342 OC1=NC=CC2=C(C=CC=C12)O Z1255402655 [1,1,0,0,0,0|1,0,1]=4 218 B13R2.342 OC1CCOC2=C1C=CC=C2Cl Z1255439653 [1,1,0,0,0,0|1,0,1]=4 219 B13R2.342 O[C@@H]1CCOC2=C1C=CC=C2F Z959151608 [1,1,0,0,0,0|1,0,1]=4 220 B13R2.342 O[C@H]1CCOC2=C1C=CC=C2F Z959151606 [1,1,0,0,0,0|1,0,1]=4 221 B13R2.371 CC1=C2C=CC=CC2=C(C=C1)O Z1198149533 [1,1,0,0,0,0|0,0,2]=4 222 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 Z1255449974 [1,1,0,0,0,0|1,0,1]=4 223 B13R2.371 NC1=C2C=CC=CC2=C(C=C1)O Z104442670 [1,1,0,0,0,0|0,0,2]=4 224 B13R2.371 NC1CCC(=O)C2=C1C=CC=C2 Z1443588580 [1,1,0,0,0,0|1,0,1]=4 225 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)Br Z57204184 [1,1,0,0,0,0|0,0,2]=4 226 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)Cl Z104477546 [1,1,0,0,0,0|0,0,2]=4 227 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)F Z1198279754 [1,1,0,0,0,0|0,0,2]=4 228 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)O Z815299402 [1,1,0,0,0,0|0,0,2]=4 229 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)S Z1251357608 [1,1,0,0,0,0|0,0,2]=4 230 B13R2.1613 OCC1CCCC2=C1C=CC=C2 Z995212536 [1,1,0,0,0,0|0,0,2]=4 231 B13R2.1613 OCC1CNCC2=C1C=CC=C2 Z2310716062 [1,1,0,0,0,0|1,0,1]=4 232 B13R2.4818 CC1=C2C(=CC=C1)OCCC2O Z1486034774 [1,1,0,0,0,0|1,0,1]=4 233 B13R2.4818 NC1=C2C(=CC=CC2=CC=C1)O Z1255383411 [1,1,0,0,0,0|0,0,2]=4 234 B13R2.4818 OC1=CC=CC2=CC=CC(=C12)O Z415933894 [1,1,0,0,0,0|0,0,2]=4 235 B13R2.45 CN[C@@H]1CC2=C([C@@H]1O)C=CC=C2 Z4657916171 [0,1,0,0,1,0|1,0,1]=4 236 B13R2.45 CO[C@@H]1CC2=C([C@H]1N)C=CC=C2 Z4661669768 [0,1,0,0,1,0|1,0,1]=4 237 B13R2.135 CN[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z4716420151 [0,1,0,0,1,0|1,0,1]=4 238 B13R2.3085 CN1C(=O)C2=C(C1O)C=CC=C2 Z108567058 [0,1,0,0,1,0|2,0,0]=4 239 B15R2.627 O=C(O)C1=C(C2=C(C=CC=C2)C=C1)O Z56347239 [0,2,0,0,0,0|0,0,2]=4 240 B15R2.2115 OCC1=C(C2=C(C=CC=C2)C=C1)CO Z1896299417 [0,2,0,0,0,0|0,0,2]=4 241 B15R2.1162 O=C(O)C1=C2C=CC=CC2=CC=C1O Z381356526 [0,2,0,0,0,0|0,0,2]=4 242 B13R2.10 OC1=NOC(=C1)C2=CC=CC=C2 Z1255465500 [0,0,1,1,0,0|1,0,1]=4 243 B13R2.33 O=C1C=CC2=C(C=CC=C2)OC1 Z1513599062 [0,0,1,1,0,0|0,0,2]=4 244 B13R3.28 C1=CC2=C(C=C1)[C@@H]3O[C@@H]3CC2 Z3177279256 [1,0,0,1,0,0|0,0,2]=4 245 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [1,0,0,0,1,0|1,0,1]=4 246 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [1,0,0,0,1,0|1,0,1]=4 247 B11R2.10 CC1CC2=C(N1)C=CC=C2 Z104472410 [1,0,0,0,1,0|2,0,0]=4 248 B11R2.10 CC1CC2=C(O1)C=CC=C2 Z104378304 [1,0,0,0,1,0|2,0,0]=4 249 B11R2.10 NC1CC2=C(C1)C=CC=C2 Z1741971562 [1,0,0,0,1,0|1,0,1]=4