0 B16R3.1795 C1CC(C2NCCC21)c3ccccc3 Amb25808962 [0,0,0,0,0,0|2,0,0]=2 1 B16R3.1795 C1CCN2C(NN=C21)c3ccccc3 Amb24119323 [0,0,0,0,0,0|2,0,2]=4 2 B16R3.1795 C1NC[C@@H]2[C@H]1CCN2c3c[n]ccc3 Amb25179356 [0,0,0,0,0,0|4,0,0]=4 3 B16R3.1795 N1CC2C(C1)N(CC2)c3ccccc3 Amb2372735 [0,0,0,0,0,0|3,0,0]=3 4 B16R3.1795 c1ccc(cc1)C2NCC3N2CCC3 Amb17190321 [0,0,0,0,0,0|3,0,0]=3 5 B17R3.108 CN1CC2CNCC2C1c3ccccc3 Amb19370968 [0,1,0,0,0,0|3,0,0]=4 6 B17R3.2413 Brc1ccc([n]c1)N2CCC3CCCC23 Amb24432871 [0,1,0,0,0,0|3,0,0]=4 7 B17R3.2413 Cc1ccc(cc1)N2CC[C@@H]3CNC[C@H]23 Amb22871549 [0,1,0,0,0,0|3,0,0]=4 8 B17R3.2443 Brc1cc(c[n]c1)N2CCC3CCCC23 Amb24619523 [0,1,0,0,0,0|3,0,0]=4 9 B17R3.2443 Brc1cccc([n]1)N2CCC3CCCC23 Amb25372801 [0,1,0,0,0,0|3,0,0]=4 10 B17R3.2443 Clc1cccc([n]1)N2CCC3CCCC23 Amb25031988 [0,1,0,0,0,0|3,0,0]=4 11 B17R3.2443 Fc1cc(ccc1)N2CC[C@@H]3CNC[C@H]23 Amb22871548 [0,1,0,0,0,0|3,0,0]=4 12 B17R3.3069 Brc1c[n]ccc1N2CCC3CCCC23 Amb25032064 [0,1,0,0,0,0|3,0,0]=4 13 B17R3.3273 O=C1CC[C@@H]2OC[C@@H](c3ccccc3)N12 Amb22748995 [0,1,0,0,0,0|2,0,1]=4 14 B17R3.3273 O=C1CC[C@H]2OC[C@H](c3ccccc3)N12 Amb22224994 [0,1,0,0,0,0|2,0,1]=4 15 B15R2.66 BrCCN1CC(CC1)c2ccccc2 Amb24335613 [0,0,1,0,0,0|3,0,0]=4 16 B15R2.66 C=CC[C@H]1C[C@@H](CN1)c2ccccc2 Amb25224331 [0,0,1,0,0,0|0,0,2]=3 17 B15R2.66 CCCC1NC(CO1)c2ccccc2 Amb24398849 [0,0,1,0,0,0|2,0,0]=3 18 B15R2.66 CCCC1N[C@H](CO1)c2ccccc2 Amb25858166 [0,0,1,0,0,0|2,0,0]=3 19 B15R2.66 CCN[C@@H]1CN(CC1)c2ccccc2 Amb25690207 [0,0,1,0,0,0|3,0,0]=4 20 B15R2.66 CNCC1CC(CC1)c2ccccc2 Amb24514243 [0,0,1,0,0,0|2,0,0]=3 21 B15R2.66 CNCC1CCC(O1)c2ccccc2 Amb25234422 [0,0,1,0,0,0|3,0,0]=4 22 B15R2.66 CNC[C@H]1CN(CC1)c2ccccc2 Amb25705328 [0,0,1,0,0,0|3,0,0]=4 23 B15R2.66 CSC[C@@H]1CC[C@H](N1)c2ccccc2 Amb24568924 [0,0,1,0,0,0|3,0,0]=4 24 B15R2.66 CSC[C@H]1CC[C@H](N1)c2ccccc2 Amb24562284 [0,0,1,0,0,0|3,0,0]=4 25 B15R2.66 NCCC1CCC(O1)c2ccccc2 Amb24707115 [0,0,1,0,0,0|3,0,0]=4 26 B15R2.66 NCCC1OCC(O1)c2ccccc2 Amb17470837 [0,0,1,0,0,0|3,0,0]=4 27 B15R2.66 OCCC1CC(ON1)c2ccccc2 Amb24672753 [0,0,1,0,0,0|2,0,0]=3 28 B15R2.66 OCCN1CC(CC1)c2ccccc2 Amb19050280 [0,0,1,0,0,0|3,0,0]=4 29 B15R2.72 CCCC1CCNC1c2ccccc2 Amb19072726 [0,0,1,0,0,0|2,0,0]=3 30 B15R2.72 CCCC1NCCN1c2ccccc2 Amb24367225 [0,0,1,0,0,0|3,0,0]=4 31 B15R2.72 CCCN1CCCC1c2c[n]ccc2 Amb23444564 [0,0,1,0,0,0|3,0,0]=4 32 B15R2.72 CCCN1CCCC1c2cc[n]cc2 Amb23444580 [0,0,1,0,0,0|3,0,0]=4 33 B15R2.72 CCCN1CCCC1c2cccc[n]2 Amb23444540 [0,0,1,0,0,0|3,0,0]=4 34 B15R2.72 CCNC1CCCC1c2c[n]ccc2 Amb18993623 [0,0,1,0,0,0|3,0,0]=4 35 B15R2.72 CCNC1CCCC1c2ccccc2 Amb18299697 [0,0,1,0,0,0|2,0,0]=3 36 B15R2.72 CNCC1CCCC1c2ccccc2 Amb24460034 [0,0,1,0,0,0|2,0,0]=3 37 B15R2.72 CNCC1CCCN1c2ccccc2 Amb25028802 [0,0,1,0,0,0|3,0,0]=4 38 B15R2.72 NCCC1CCCN1c2ccccc2 Amb18819088 [0,0,1,0,0,0|3,0,0]=4 39 B15R2.118 BrCC1CCCN1Cc2ccccc2 Amb21861134 [0,0,1,0,0,0|3,0,0]=4 40 B15R2.118 BrC[C@@H]1CCCN1Cc2ccccc2 Amb22225469 [0,0,1,0,0,0|3,0,0]=4 41 B15R2.118 C=CC1CCCN1Cc2ccccc2 Amb10568650 [0,0,1,0,0,0|2,0,1]=4 42 B15R2.118 CCC1CCCC1Nc2cc[n]cc2 Amb25773836 [0,0,1,0,0,0|3,0,0]=4 43 B15R2.118 CCC1CCCC1Nc2cccc[n]2 Amb24722635 [0,0,1,0,0,0|3,0,0]=4 44 B15R2.118 CCC1CCCC1Nc2ccccc2 Amb25166322 [0,0,1,0,0,0|2,0,0]=3 45 B15R2.118 CCC1NCCC1Cc2ccccc2 Amb2235018 [0,0,1,0,0,0|2,0,0]=3 46 B15R2.118 CNC1CCCC1Cc2cc[n]cc2 Amb25247138 [0,0,1,0,0,0|1,0,0]=2 47 B15R2.118 CNC1CCCC1Cc2cccc[n]2 Amb25799947 [0,0,1,0,0,0|1,0,0]=2 48 B15R2.118 CNC1CCCC1Cc2ccccc2 Amb19040794 [0,0,1,0,0,0|0,0,0]=1 49 B15R2.118 CNC1CCCC1Oc2c[n]c[n]c2 Amb24095033 [0,0,1,0,0,0|3,0,0]=4 50 B15R2.118 CNC1CCCC1Oc2ccccc2 Amb18982167 [0,0,1,0,0,0|1,0,0]=2 51 B15R2.118 CNC1CCCC1Sc2[n]ccc[n]2 Amb24526010 [0,0,1,0,0,0|3,0,0]=4 52 B15R2.118 CNC1CCCC1Sc2c[n]cc[n]2 Amb24348140 [0,0,1,0,0,0|3,0,0]=4 53 B15R2.118 CNC1CCCC1Sc2cc[n]cc2 Amb25752777 [0,0,1,0,0,0|2,0,0]=3 54 B15R2.118 CNC1CCCC1Sc2cccc[n]2 Amb24510747 [0,0,1,0,0,0|2,0,0]=3 55 B15R2.118 CNC1CCCC1Sc2ccccc2 Amb25195247 [0,0,1,0,0,0|1,0,0]=2 56 B15R2.118 CNC1CSCC1Cc2ccccc2 Amb24697371 [0,0,1,0,0,0|1,0,0]=2 57 B15R2.118 CN[C@@H]1CCCN1Cc2ccccc2 Amb25806115 [0,0,1,0,0,0|1,0,0]=2 58 B15R2.118 CN[C@H]1CCCN1Cc2ccccc2 Amb25829447 [0,0,1,0,0,0|1,0,0]=2 59 B15R2.118 COC1CCCC1Nc2cc[n]cc2 Amb18985707 [0,0,1,0,0,0|3,0,0]=4 60 B15R2.118 COC1CCCC1Nc2cccc[n]2 Amb18985698 [0,0,1,0,0,0|3,0,0]=4 61 B15R2.118 COC1CCCC1Nc2ccccc2 Amb25674968 [0,0,1,0,0,0|2,0,0]=3 62 B15R2.118 COC=1CCC[N+]1Cc2ccccc2 Amb25298029 [0,0,1,0,0,0|2,0,1]=4 63 B15R2.118 CO[C@@H]1CCC[C@H]1Nc2cc[n]cc2 Amb25278953 [0,0,1,0,0,0|3,0,0]=4 64 B15R2.118 CO[C@@H]1CCC[C@H]1Nc2cccc[n]2 Amb25031616 [0,0,1,0,0,0|3,0,0]=4 65 B15R2.118 CO[C@H]1CCC[C@@H]1Nc2cccc[n]2 Amb25031617 [0,0,1,0,0,0|3,0,0]=4 66 B15R2.118 CSC1CNCC1Oc2ccccc2 Amb24731236 [0,0,1,0,0,0|3,0,0]=4 67 B15R2.118 ClCC1CCCN1Cc2ccccc2 Amb16187013 [0,0,1,0,0,0|3,0,0]=4 68 B15R2.118 ClCC1CCCN1Cc2ccccc2 Amb21959823 [0,0,1,0,0,0|3,0,0]=4 69 B15R2.118 ClCC1CCOC1Cc2ccccc2 Amb25215478 [0,0,1,0,0,0|3,0,0]=4 70 B15R2.118 ClC[C@@H]1CCCN1Cc2ccccc2 Amb22225470 [0,0,1,0,0,0|3,0,0]=4 71 B15R2.118 ClC[C@H]1CCCN1Cc2ccccc2 Amb15701449 [0,0,1,0,0,0|3,0,0]=4 72 B15R2.118 ClC[C@H]1CCCN1Cc2ccccc2 Amb22587343 [0,0,1,0,0,0|3,0,0]=4 73 B15R2.118 ICC1CCCN1Cc2ccccc2 Amb21861137 [0,0,1,0,0,0|3,0,0]=4 74 B15R2.118 IC[C@@H]1CCCN1Cc2ccccc2 Amb22225472 [0,0,1,0,0,0|3,0,0]=4 75 B15R2.118 N#CC1CCCC1Nc2ccccc2 Amb18964029 [0,0,1,0,0,0|3,0,0]=4 76 B15R2.118 N#CC1CCCN1Cc2ccccc2 Amb24434804 [0,0,1,0,0,0|3,0,0]=4 77 B15R2.118 N#CC1CCOC1Cc2ccccc2 Amb24498449 [0,0,1,0,0,0|3,0,0]=4 78 B15R2.118 N#C[C@@H]1CCCN1Cc2ccccc2 Amb19888409 [0,0,1,0,0,0|3,0,0]=4 79 B15R2.118 N#C[C@@H]1CCC[C@@H]1Nc2ccccc2 Amb25179836 [0,0,1,0,0,0|3,0,0]=4 80 B15R2.118 NCC1CCCC1Cc2cccc[n]2 Amb24655462 [0,0,1,0,0,0|3,0,0]=4 81 B15R2.118 NCC1CCCN1Cc2ccccc2 Amb22491356 [0,0,1,0,0,0|3,0,0]=4 82 B15R2.118 NCC1CCNC1Cc2ccccc2 Amb18819084 [0,0,1,0,0,0|3,0,0]=4 83 B15R2.118 NC[C@@H]1CCCN1Cc2ccccc2 Amb22296986 [0,0,1,0,0,0|3,0,0]=4 84 B15R2.118 NC[C@H]1CCCN1Cc2ccccc2 Amb25291210 [0,0,1,0,0,0|3,0,0]=4 85 B15R2.118 NNC1CCCC1Cc2ccccc2 Amb24391167 [0,0,1,0,0,0|1,0,0]=2 86 B15R2.118 O=CC1CCCC1Cc2ccccc2 Amb25767869 [0,0,1,0,0,0|2,0,0]=3 87 B15R2.118 O=CC1CCCN1Cc2ccccc2 Amb21861130 [0,0,1,0,0,0|3,0,0]=4 88 B15R2.118 O=C[C@@H]1CCCN1Cc2ccccc2 Amb22225482 [0,0,1,0,0,0|3,0,0]=4 89 B15R2.118 O=C[C@@H]1CCC[C@@H]1Cc2ccccc2 Amb24604746 [0,0,1,0,0,0|2,0,0]=3 90 B15R2.118 O=C[C@H]1CCCN1Cc2ccccc2 Amb24386366 [0,0,1,0,0,0|3,0,0]=4 91 B15R2.118 OCC1CCCC1Cc2ccccc2 Amb25345156 [0,0,1,0,0,0|2,0,0]=3 92 B15R2.118 OCC1CCCC1Nc2ccccc2 Amb25062762 [0,0,1,0,0,0|3,0,0]=4 93 B15R2.118 OCC1CCCN1Cc2ccccc2 Amb18363965 [0,0,1,0,0,0|3,0,0]=4 94 B15R2.118 OCC1NCCC1Cc2ccccc2 Amb25095279 [0,0,1,0,0,0|3,0,0]=4 95 B15R2.118 OC[C@@H]1CCC[C@@H]1Nc2ccccc2 Amb25302311 [0,0,1,0,0,0|3,0,0]=4 96 B15R2.118 OC[C@H]1NCC[C@@H]1Cc2ccccc2 Amb24512270 [0,0,1,0,0,0|3,0,0]=4 97 B15R2.131 BrCC(c1ccccc1)C2CCCC2 Amb17263193 [0,0,1,0,0,0|1,0,0]=2 98 B15R2.131 CCC(C1CCCN1)c2ccccc2 Amb17659171 [0,0,1,0,0,0|2,0,0]=3 99 B15R2.131 CCC(c1ccccc1)C2CCCN2 Amb2235883 [0,0,1,0,0,0|2,0,0]=3 100 B15R2.131 CCC(c1ccccc1)C2CCCN2 Amb2237171 [0,0,1,0,0,0|2,0,0]=3 101 B15R2.131 CCC(c1ccccc1)N2CCCC2 Amb24063854 [0,0,1,0,0,0|2,0,0]=3 102 B15R2.131 CCC(c1ccccc1)N2CCCC2 Amb24542760 [0,0,1,0,0,0|2,0,0]=3 103 B15R2.131 CCN(C1CNCC1)c2ccccc2 Amb24760955 [0,0,1,0,0,0|3,0,0]=4 104 B15R2.131 CNC(C1CCCC1)c2cc[n]cc2 Amb18968332 [0,0,1,0,0,0|3,0,0]=4 105 B15R2.131 CNC(C1CCCC1)c2ccc[n]c2 Amb18968326 [0,0,1,0,0,0|3,0,0]=4 106 B15R2.131 CNC(C1CCCC1)c2cccc[n]2 Amb18968321 [0,0,1,0,0,0|3,0,0]=4 107 B15R2.131 CNC(C1COCC1)c2ccccc2 Amb18974383 [0,0,1,0,0,0|3,0,0]=4 108 B15R2.131 CNC(C1CSCC1)c2ccccc2 Amb24380008 [0,0,1,0,0,0|3,0,0]=4 109 B15R2.131 COC(C1CCCN1)c2ccccc2 Amb25677746 [0,0,1,0,0,0|3,0,0]=4 110 B15R2.131 COC(C1CNCC1)c2ccccc2 Amb24403346 [0,0,1,0,0,0|3,0,0]=4 111 B15R2.131 ClCC(c1ccccc1)C2CCCC2 Amb17240142 [0,0,1,0,0,0|1,0,0]=2 112 B15R2.131 ClCC(c1ccccc1)N2CCCC2 Amb17240484 [0,0,1,0,0,0|2,0,0]=3 113 B15R2.131 ClCC(c1cccnc1)N2CCCC2 Amb17240795 [0,0,1,0,0,0|3,0,0]=4 114 B15R2.131 N#CC(C1CCCC1)c2cc[n]cc2 Amb25812397 [0,0,1,0,0,0|1,0,2]=4 115 B15R2.131 N#CC(C1CCCN1)c2ccccc2 Amb20623337 [0,0,1,0,0,0|1,0,2]=4 116 B15R2.131 N#CC(C1CCCN1)c2ccccc2 Amb24395642 [0,0,1,0,0,0|1,0,2]=4 117 B15R2.131 N#CC(c1ccccc1)C2CCCC2 Amb1094550 [0,0,1,0,0,0|0,0,2]=3 118 B15R2.131 N#CC(c1ccccc1)N2CCCC2 Amb22736588 [0,0,1,0,0,0|1,0,2]=4 119 B15R2.131 NCC(C1CCCN1)c2ccccc2 Amb25047483 [0,0,1,0,0,0|1,0,0]=2 120 B15R2.131 NCC(C1CCSC1)c2ccccc2 Amb25722165 [0,0,1,0,0,0|1,0,0]=2 121 B15R2.131 NCC(c1c[n]c[n]c1)N2CCCC2 Amb18190553 [0,0,1,0,0,0|3,0,0]=4 122 B15R2.131 NCC(c1c[n]ccc1)N2CCCO2 Amb25205957 [0,0,1,0,0,0|3,0,0]=4 123 B15R2.131 NCC(c1cc[n]c[n]1)N2CCCC2 Amb24415799 [0,0,1,0,0,0|3,0,0]=4 124 B15R2.131 NCC(c1cccc[n]1)N2CCCO2 Amb24724362 [0,0,1,0,0,0|3,0,0]=4 125 B15R2.131 NCC(c1ccccc1)C2CCCC2 Amb2196676 [0,0,1,0,0,0|0,0,0]=1 126 B15R2.131 NCC(c1ccccc1)N2CCCC2 Amb10576200 [0,0,1,0,0,0|1,0,0]=2 127 B15R2.131 NCC(c1ccccc1)N2CCCC2 Amb10808439 [0,0,1,0,0,0|1,0,0]=2 128 B15R2.131 NCC(c1ccccc1)N2CCCC2 Amb1486161 [0,0,1,0,0,0|1,0,0]=2 129 B15R2.131 NCC(c1cccnc1)N2CCCC2 Amb1141786 [0,0,1,0,0,0|2,0,0]=3 130 B15R2.131 NNC(C1CCCC1)c2[n]ccc[n]2 Amb24345569 [0,0,1,0,0,0|3,0,0]=4 131 B15R2.131 NNC(C1CCCC1)c2c[n]cc[n]2 Amb25703497 [0,0,1,0,0,0|3,0,0]=4 132 B15R2.131 NNC(C1CCCC1)c2cccc[n]2 Amb25282400 [0,0,1,0,0,0|2,0,0]=3 133 B15R2.131 NNC(C1CCCC1)c2ccccc2 Amb25727640 [0,0,1,0,0,0|1,0,0]=2 134 B15R2.131 NNC(C1CCCO1)c2c[n]ccc2 Amb25824569 [0,0,1,0,0,0|3,0,0]=4 135 B15R2.131 NNC(C1CCCS1)c2c[n]ccc2 Amb25078446 [0,0,1,0,0,0|3,0,0]=4 136 B15R2.131 NNC(C1COCC1)c2cc[n]cc2 Amb25709960 [0,0,1,0,0,0|3,0,0]=4 137 B15R2.131 NNC(C1CSCC1)c2ccccc2 Amb25341038 [0,0,1,0,0,0|2,0,0]=3 138 B15R2.131 OCC(C1OCCO1)c2ccccc2 Amb25332138 [0,0,1,0,0,0|3,0,0]=4 139 B15R2.131 OCC(c1cc[n]cc1)N2CCCC2 Amb23555584 [0,0,1,0,0,0|3,0,0]=4 140 B15R2.131 OCC(c1ccccc1)C=2CCCC2 Amb25204172 [0,0,1,0,0,0|1,0,2]=4 141 B15R2.131 OCC(c1ccccc1)N2CCCC2 Amb17235105 [0,0,1,0,0,0|2,0,0]=3 142 B15R2.131 OCC(c1cccnc1)N2CCCC2 Amb17235445 [0,0,1,0,0,0|3,0,0]=4 143 B15R2.131 OC[C@@H](c1ccccc1)N2CCCC2 Amb24429638 [0,0,1,0,0,0|2,0,0]=3 144 B15R2.131 OC[C@H](c1ccccc1)N2CCCC2 Amb24421873 [0,0,1,0,0,0|2,0,0]=3 145 B15R2.131 O\N=C(/C1CCCC1)\c2ccccc2 Amb24749408 [0,0,1,0,0,0|2,0,1]=4 146 B15R2.131 O\N=C(\C1CCCC1)/c2ccccc2 Amb24712718 [0,0,1,0,0,0|2,0,1]=4 147 B15R2.395 C=C([C@@H]1CCC[C@@H]1O)c2ccccc2 Amb24630772 [0,0,1,0,0,0|1,0,2]=4 148 B15R2.395 CC(C1NCCC1O)c2ccccc2 Amb18818136 [0,0,1,0,0,0|2,0,0]=3 149 B15R2.395 CC1CCCC1C(N)c2ccccc2 Amb24737208 [0,0,1,0,0,0|2,0,0]=3 150 B15R2.395 CC1CCCC1C(O)c2ccc[n]c2 Amb24471758 [0,0,1,0,0,0|3,0,0]=4 151 B15R2.395 CC1CCCC1C(O)c2ccccc2 Amb24448029 [0,0,1,0,0,0|2,0,0]=3 152 B15R2.395 CC1CNCC1N(C)c2ccccc2 Amb25117761 [0,0,1,0,0,0|3,0,0]=4 153 B15R2.395 CC1OCCC1C(N)c2ccccc2 Amb24653269 [0,0,1,0,0,0|3,0,0]=4 154 B15R2.395 CC1OCCC1C(O)c2ccccc2 Amb25783726 [0,0,1,0,0,0|3,0,0]=4 155 B15R2.395 CN(C1CCCC1Cl)c2ccccc2 Amb24393498 [0,0,1,0,0,0|2,0,0]=3 156 B15R2.395 CN([C@@H]1CNC[C@H]1O)c2ccccc2 Amb24464537 [0,0,1,0,0,0|3,0,0]=4 157 B15R2.395 CN([C@@H]1CNC[C@H]1O)c2ccccc2 Amb25143894 [0,0,1,0,0,0|3,0,0]=4 158 B15R2.395 CN1CCCC1C(O)c2ccccc2 Amb24734888 [0,0,1,0,0,0|3,0,0]=4 159 B15R2.395 C[C@@H](c1ccccc1)N2CCCC2=O Amb24181898 [0,0,1,0,0,0|2,0,1]=4 160 B15R2.395 NC1CCCC1C(=O)c2ccc[n]c2 Amb25041562 [0,0,1,0,0,0|2,0,1]=4 161 B15R2.395 NC1CCCC1C(O)c2ccccc2 Amb18818232 [0,0,1,0,0,0|1,0,0]=2 162 B15R2.395 NC1CCCC1N(c2ccccc2)C Amb1125388 [0,0,1,0,0,0|1,0,0]=2 163 B15R2.395 NC1CCCC1S(=O)c2ccccc2 Amb25183201 [0,0,1,0,0,0|2,0,0]=3 164 B15R2.395 NC1CCCN1S(=O)c2ccccc2 Amb25242024 [0,0,1,0,0,0|3,0,0]=4 165 B15R2.395 NC1COCC1C(=O)c2ccccc2 Amb25665931 [0,0,1,0,0,0|2,0,1]=4 166 B15R2.395 NN1CCCC1C(O)c2ccccc2 Amb24500698 [0,0,1,0,0,0|2,0,0]=3 167 B15R2.395 O=C1CCCN1C(c2ccccc2)C Amb10559491 [0,0,1,0,0,0|2,0,1]=4 168 B15R2.395 OC1CCCC1C(=O)c2ccccc2 Amb25852929 [0,0,1,0,0,0|2,0,1]=4 169 B15R2.395 O[C@@H]1CCC[C@H]1[C@@H](O)c2ccccc2 Amb24520203 [0,0,1,0,0,0|2,0,0]=3 170 B15R2.395 O[C@H]([C@@H]1CCCC1=O)c2ccccc2 Amb25240013 [0,0,1,0,0,0|2,0,1]=4 171 B15R2.395 O[C@H]1CCC[C@H]1[C@@H](O)c2ccccc2 Amb25346150 [0,0,1,0,0,0|2,0,0]=3 172 B15R2.395 O[C@H]1CCC[C@H]1[C@H](O)c2ccccc2 Amb24733110 [0,0,1,0,0,0|2,0,0]=3 173 B15R2.2169 C1CCC(CCCN1)c2ccccc2 Amb25280124 [0,0,1,0,0,0|2,0,0]=3 174 B15R2.2169 C1CCN(CCCN1)c2ccccc2 Amb18945665 [0,0,1,0,0,0|3,0,0]=4 175 B15R2.2196 C(CC1CCCC1)Nc2c[n]ccc2 Amb24565533 [0,0,1,0,0,0|3,0,0]=4 176 B15R2.2196 C(CC1CCCC1)Nc2cc[n]cc2 Amb19005804 [0,0,1,0,0,0|3,0,0]=4 177 B15R2.2196 C(CC1CCCC1)Nc2cccc[n]2 Amb19005803 [0,0,1,0,0,0|3,0,0]=4 178 B15R2.2196 C(CC1CCCC1)Nc2ccccc2 Amb19060753 [0,0,1,0,0,0|2,0,0]=3 179 B15R2.2196 C(CNC1=NCCO1)c2ccccc2 Amb25289198 [0,0,1,0,0,0|2,0,1]=4 180 B15R2.2196 C(CNC=1NCCN1)c2ccccc2 Amb24678902 [0,0,1,0,0,0|2,0,1]=4 181 B15R2.2196 C(Cc1cc[n]cc1)NC2CCCC2 Amb19018582 [0,0,1,0,0,0|1,0,0]=2 182 B15R2.2196 C(NCN1CCCC1)c2ccccc2 Amb25794201 [0,0,1,0,0,0|3,0,0]=4 183 B15R2.2196 C(NCc1ccccc1)C2CCCN2 Amb24103370 [0,0,1,0,0,0|3,0,0]=4 184 B15R2.2196 C(NOC1CCCC1)c2ccccc2 Amb25674859 [0,0,1,0,0,0|2,0,0]=3 185 B15R2.2196 C(ONC=1CCCN1)c2ccccc2 Amb25772533 [0,0,1,0,0,0|2,0,1]=4 186 B15R2.2196 C/1NCC\C1=C\CCc2ccccc2 Amb24561554 [0,0,1,0,0,0|2,0,1]=4 187 B15R2.2196 C1CCC(C1)NCCc2ccccc2 Amb2097978 [0,0,1,0,0,0|0,0,0]=1 188 B15R2.2196 C1CCC(NCCc2ccccc2)=N1 Amb24498620 [0,0,1,0,0,0|1,0,1]=3 189 B15R2.2196 C1CCNC1CCNc2ccccc2 Amb19015267 [0,0,1,0,0,0|3,0,0]=4 190 B15R2.2196 C1CCOC1OCCc2ccccc2 Amb22752564 [0,0,1,0,0,0|2,0,0]=3 191 B15R2.2196 C1CNC(C1)CCOc2ccccc2 Amb17401562 [0,0,1,0,0,0|3,0,0]=4 192 B15R2.2196 C1CNC(C1)CNCc2ccccc2 Amb2236111 [0,0,1,0,0,0|3,0,0]=4 193 B15R2.2196 C1CNC(C1)CNCc2ccccc2 Amb2237194 [0,0,1,0,0,0|3,0,0]=4 194 B15R2.2196 C1CNC(C1)COCc2ccccc2 Amb2235511 [0,0,1,0,0,0|3,0,0]=4 195 B15R2.2196 C1CN[C@@H](C1)COCc2ccccc2 Amb17061752 [0,0,1,0,0,0|3,0,0]=4 196 B15R2.2196 C1NCCC1CCCc2ccccc2 Amb21959199 [0,0,1,0,0,0|2,0,0]=3 197 B15R2.2196 C1NCCC1CCOc2ccccc2 Amb21959194 [0,0,1,0,0,0|3,0,0]=4 198 B15R2.2196 C1NCCC1CNCc2ccccc2 Amb19036329 [0,0,1,0,0,0|3,0,0]=4 199 B15R2.2196 C1NCCC1COCc2ccccc2 Amb19021967 [0,0,1,0,0,0|3,0,0]=4 200 B15R2.2196 C1NCC[C@H]1COCc2ccccc2 Amb25181937 [0,0,1,0,0,0|3,0,0]=4 201 B15R2.2196 C1OCCC1NCCc2ccccc2 Amb20667617 [0,0,1,0,0,0|1,0,0]=2 202 B15R2.2196 C1OCCC1NCCc2ccccc2 Amb22059244 [0,0,1,0,0,0|1,0,0]=2 203 B15R2.2196 C1OCCC1NOCc2ccccc2 Amb25167873 [0,0,1,0,0,0|2,0,0]=3 204 B15R2.2196 c1ccc(cc1)CCNC2=NCCS2 Amb1103979 [0,0,1,0,0,0|2,0,1]=4 205 B15R2.2349 CNC1C(CNC1=O)c2ccccc2 Amb24428611 [0,0,1,0,0,0|2,0,1]=4 206 B15R2.4808 CC1C(CCC1c2c[n]ccc2)NC Amb25167651 [0,0,1,0,0,0|3,0,0]=4 207 B15R2.4808 CC1C(CCC1c2ccccc2)NC Amb24667838 [0,0,1,0,0,0|2,0,0]=3 208 B15R2.4808 O[C@H]1[C@H](CO[C@@H]1CO)c2ccccc2 Amb25224346 [0,0,1,0,0,0|3,0,0]=4 209 B15R3.1712 C1CCC2C(CCN21)[n]3cccc3 Amb18795851 [0,0,0,0,1,0|3,0,0]=4 210 B15R3.1712 C1NC(C2CCCC21)c3ccco3 Amb25380811 [0,0,0,0,1,0|3,0,0]=4 211 B15R3.1722 C1C(C2CNCC21)c3ccccc3 Amb24489106 [0,0,0,0,1,0|1,0,0]=2 212 B15R3.1722 C1C2CCCC2N1c3[n]ccc[n]3 Amb24475711 [0,0,0,0,1,0|3,0,0]=4 213 B15R3.1722 C1C2CCCC2N1c3ccc[n][n]3 Amb25741954 [0,0,0,0,1,0|3,0,0]=4 214 B15R3.1722 C1C2NCCC2N1c3c[n]ccc3 Amb25695512 [0,0,0,0,1,0|3,0,0]=4 215 B15R3.1722 C1NC[C@@H]2[C@H]1CN2c3c[n]ccc3 Amb24696496 [0,0,0,0,1,0|3,0,0]=4 216 B15R3.1722 C1NC[C@H]2[C@@H]1CN2c3c[n]ccc3 Amb25363971 [0,0,0,0,1,0|3,0,0]=4 217 B15R3.1722 C1[C@@H]([C@@H]2CNC[C@@H]21)c3ccccc3 Amb25275029 [0,0,0,0,1,0|1,0,0]=2 218 B15R3.1722 C1[C@H]2NCC[C@H]2N1c3c[n]ccc3 Amb24550671 [0,0,0,0,1,0|3,0,0]=4 219 B17R3.8 C1CCCC2C1CCN2c3cccc[n]3 Amb23713275 [0,0,0,0,0,1|3,0,0]=4 220 B17R3.8 c1ccc(cc1)C2CNC3=C2CCCC3 Amb17595290 [0,0,0,0,0,1|0,0,2]=3 221 B17R3.1941 C1NC[C@@H]2CC(CC[C@@H]21)c3ccccc3 Amb18787330 [0,0,0,0,0,1|2,0,0]=3 222 B17R3.1941 c1ccc(cc1)C2NCC3N(C2)CCC3 Amb17578976 [0,0,0,0,0,1|3,0,0]=4 223 B17R3.8707 C1CCC2NCCN(C21)c3ccccc3 Amb23559058 [0,0,0,0,0,1|1,0,0]=2 224 B17R3.8707 C1CCN2CCNC(C21)c3ccccc3 Amb18176926 [0,0,0,0,0,1|2,0,0]=3 225 B17R3.8707 C1NCC(c2c[n]ccc2)N3CCC[C@@H]31 Amb18785275 [0,0,0,0,0,1|2,0,0]=3 226 B17R3.8707 C1NCC(c2cc[n]cc2)N3CCC[C@@H]31 Amb18785276 [0,0,0,0,0,1|2,0,0]=3 227 B17R3.8707 C1NCC(c2cccc[n]2)N3CCC[C@@H]31 Amb18176795 [0,0,0,0,0,1|2,0,0]=3 228 B17R3.8707 C1NCC(c2ccccc2)N3CCCC31 Amb18786353 [0,0,0,0,0,1|1,0,0]=2 229 B17R3.8707 C1NC[C@@H]2OCCN([C@@H]21)c3ccccc3 Amb22858254 [0,0,0,0,0,1|3,0,0]=4 230 B17R3.8759 C(c1ccccc1)N2CCC3CCNC23 Amb24592646 [0,0,0,0,0,1|3,0,0]=4 231 B17R3.8759 C(c1ccccc1)N2CC[C@@H]3CCN[C@H]23 Amb24711907 [0,0,0,0,0,1|3,0,0]=4 232 B17R3.8759 C1NC[C@@H]2[C@@H]1CCN2Cc3ccccc3 Amb18786340 [0,0,0,0,0,1|3,0,0]=4 233 B17R3.8759 N1CC2C(C1)N(CC2)Cc3ccccc3 Amb15691963 [0,0,0,0,0,1|3,0,0]=4 234 B14R2.8 BrCC1CC(CC1)c2ccccc2 Amb25118230 [1,0,1,0,0,0|2,0,0]=4 235 B14R2.8 BrC[C@@H]1C[C@@H](CN1)c2ccccc2 Amb24553084 [1,0,1,0,0,0|1,0,0]=3 236 B14R2.8 BrC[C@H]1C[C@@H](CC1)c2ccccc2 Amb24547756 [1,0,1,0,0,0|2,0,0]=4 237 B14R2.8 CCC1N[C@H](CO1)c2ccccc2 Amb25108096 [1,0,1,0,0,0|2,0,0]=4 238 B14R2.8 CNC1CC(CC1)c2ccccc2 Amb18065568 [1,0,1,0,0,0|2,0,0]=4 239 B14R2.8 CN[C@@H]1C[C@@H](CN1)c2ccccc2 Amb24515116 [1,0,1,0,0,0|1,0,0]=3 240 B14R2.8 NCC1CC(CC1)c2ccccc2 Amb18065570 [1,0,1,0,0,0|2,0,0]=4 241 B14R2.8 NCC1CC(CN1)c2ccccc2 Amb18127794 [1,0,1,0,0,0|1,0,0]=3 242 B14R2.8 NC[C@@H]1C[C@@H](CN1)c2ccccc2 Amb24615850 [1,0,1,0,0,0|1,0,0]=3 243 B14R2.8 OCC1CC(CO1)c2ccccc2 Amb25226649 [1,0,1,0,0,0|2,0,0]=4 244 B14R2.8 OC[C@@H]1C[C@@H](CN1)c2ccccc2 Amb24514944 [1,0,1,0,0,0|1,0,0]=3 245 B14R2.8 OC[C@@H]1C[C@@H](CO1)c2ccccc2 Amb24615402 [1,0,1,0,0,0|2,0,0]=4 246 B14R2.14 CCC1CNCC1c2ccccc2 Amb24563782 [1,0,1,0,0,0|0,0,0]=2 247 B14R2.14 CCC1NCCC1c2ccccc2 Amb18285662 [1,0,1,0,0,0|2,0,0]=4 248 B14R2.14 CCN1CCCC1c2ccccc2 Amb20637247 [1,0,1,0,0,0|2,0,0]=4 249 B14R2.14 CNC1CCCC1c2ccccc2 Amb18286605 [1,0,1,0,0,0|2,0,0]=4 250 B14R2.14 COC1CNCC1c2ccccc2 Amb24496970 [1,0,1,0,0,0|1,0,0]=3 251 B14R2.14 CO[C@@H]1CNC[C@H]1c2ccccc2 Amb20241554 [1,0,1,0,0,0|1,0,0]=3 252 B14R2.14 N#CC1CNCC1c2ccccc2 Amb23597889 [1,0,1,0,0,0|1,0,1]=4 253 B14R2.14 N#C[C@@H]1CNC[C@H]1c2ccccc2 Amb25175728 [1,0,1,0,0,0|1,0,1]=4 254 B14R2.14 NCC1CNCC1c2ccccc2 Amb18647992 [1,0,1,0,0,0|1,0,0]=3 255 B14R2.14 NCC1CSCC1c2ccccc2 Amb24653906 [1,0,1,0,0,0|2,0,0]=4 256 B14R2.14 NC[C@@H]1CNC[C@H]1c2ccccc2 Amb19516314 [1,0,1,0,0,0|1,0,0]=3 257 B14R2.14 NC[C@@H]1CNC[C@H]1c2ccccc2 Amb24723283 [1,0,1,0,0,0|1,0,0]=3 258 B14R2.14 O=CC1CNCC1c2ccccc2 Amb25339180 [1,0,1,0,0,0|1,0,1]=4 259 B14R2.14 OCC1CCCC1c2ccccc2 Amb24363590 [1,0,1,0,0,0|2,0,0]=4 260 B14R2.14 OC[C@@H]1CCC[C@@H]1c2ccccc2 Amb25215686 [1,0,1,0,0,0|2,0,0]=4 261 B14R2.14 OC[C@@H]1CNC[C@H]1c2ccccc2 Amb22756588 [1,0,1,0,0,0|1,0,0]=3 262 B14R2.30 BrC1CCCC1Cc2cccc[n]2 Amb25698087 [1,0,1,0,0,0|2,0,0]=4 263 B14R2.30 BrC1CCCC1Cc2ccccc2 Amb24420076 [1,0,1,0,0,0|1,0,0]=3 264 B14R2.30 CC1CCCC1Nc2ccc[n]c2 Amb25733687 [1,0,1,0,0,0|2,0,0]=4 265 B14R2.30 CC1CCCC1Sc2cccc[n]2 Amb25051330 [1,0,1,0,0,0|2,0,0]=4 266 B14R2.30 CC1CCCN1Cc2cc[n]cc2 Amb25246462 [1,0,1,0,0,0|2,0,0]=4 267 B14R2.30 CC1NCCC1Cc2ccccc2 Amb18960801 [1,0,1,0,0,0|1,0,0]=3 268 B14R2.30 CC1SCCC1Nc2ccccc2 Amb25158675 [1,0,1,0,0,0|2,0,0]=4 269 B14R2.30 CN1CCC[C@H]1Nc2ccccc2 Amb25155555 [1,0,1,0,0,0|2,0,0]=4 270 B14R2.30 C[C@@H]1CCC[C@H]1Sc2cccc[n]2 Amb24105831 [1,0,1,0,0,0|2,0,0]=4 271 B14R2.30 C[C@@H]1CCN[C@H]1Cc2ccccc2 Amb18197090 [1,0,1,0,0,0|1,0,0]=3 272 B14R2.30 ClC1CCCC1Cc2cccc[n]2 Amb25035591 [1,0,1,0,0,0|2,0,0]=4 273 B14R2.30 ClC1CCCC1Cc2ccccc2 Amb19080529 [1,0,1,0,0,0|1,0,0]=3 274 B14R2.30 ClC1CCCC1Sc2ccccc2 Amb25725936 [1,0,1,0,0,0|2,0,0]=4 275 B14R2.30 ClC1CSCC1Cc2ccccc2 Amb24688782 [1,0,1,0,0,0|2,0,0]=4 276 B14R2.30 NC1CCCC1Cc2cc[n]cc2 Amb18196514 [1,0,1,0,0,0|1,0,0]=3 277 B14R2.30 NC1CCCC1Cc2ccc[n]c2 Amb18196515 [1,0,1,0,0,0|1,0,0]=3 278 B14R2.30 NC1CCCC1Cc2cccc[n]2 Amb18196513 [1,0,1,0,0,0|1,0,0]=3 279 B14R2.30 NC1CCCC1Cc2ccccc2 Amb18284144 [1,0,1,0,0,0|0,0,0]=2 280 B14R2.30 NC1CCCC1Nc2ccccc2 Amb23590780 [1,0,1,0,0,0|1,0,0]=3 281 B14R2.30 NC1CCCC1Oc2cccc[n]2 Amb25156263 [1,0,1,0,0,0|2,0,0]=4 282 B14R2.30 NC1CCCC1Oc2ccccc2 Amb1130186 [1,0,1,0,0,0|1,0,0]=3 283 B14R2.30 NC1CCCC1Oc2ccccc2 Amb19341661 [1,0,1,0,0,0|1,0,0]=3 284 B14R2.30 NC1CCCC1Sc2ccccc2 Amb25700630 [1,0,1,0,0,0|1,0,0]=3 285 B14R2.30 NC1CCNC1Cc2ccccc2 Amb25731805 [1,0,1,0,0,0|1,0,0]=3 286 B14R2.30 NC1CCN[C@@H]1Cc2ccccc2 Amb18196512 [1,0,1,0,0,0|1,0,0]=3 287 B14R2.30 NC1CCN[C@H]1Cc2ccccc2 Amb25081465 [1,0,1,0,0,0|1,0,0]=3 288 B14R2.30 NC1CNCC1Cc2ccccc2 Amb25310579 [1,0,1,0,0,0|1,0,0]=3 289 B14R2.30 NC1COCC1Nc2ccccc2 Amb23590758 [1,0,1,0,0,0|2,0,0]=4 290 B14R2.30 NC1COCC1Oc2ccccc2 Amb23590767 [1,0,1,0,0,0|2,0,0]=4 291 B14R2.30 NC1CSCC1Cc2ccccc2 Amb18190126 [1,0,1,0,0,0|1,0,0]=3 292 B14R2.30 NN1CCCC1Cc2ccccc2 Amb25135272 [1,0,1,0,0,0|1,0,0]=3 293 B14R2.30 N[C@@H]1CCC[C@@H]1Cc2cc[n]cc2 Amb25102073 [1,0,1,0,0,0|1,0,0]=3 294 B14R2.30 N[C@@H]1CCC[C@@H]1Cc2ccccc2 Amb25259168 [1,0,1,0,0,0|0,0,0]=2 295 B14R2.30 N[C@@H]1CCC[C@@H]1Oc2ccccc2 Amb23536469 [1,0,1,0,0,0|1,0,0]=3 296 B14R2.30 N[C@@H]1CCC[C@H]1Oc2ccccc2 Amb25264345 [1,0,1,0,0,0|1,0,0]=3 297 B14R2.30 O=C1CCC[C@H]1Cc2ccccc2 Amb25767011 [1,0,1,0,0,0|1,0,1]=4 298 B14R2.30 OC1CCCC1Cc2ccc[n]c2 Amb24672858 [1,0,1,0,0,0|2,0,0]=4 299 B14R2.30 OC1CCCC1Cc2ccccc2 Amb18808902 [1,0,1,0,0,0|1,0,0]=3 300 B14R2.30 OC1CCCC1Nc2ccccc2 Amb18281397 [1,0,1,0,0,0|2,0,0]=4 301 B14R2.30 OC1CCCC1Oc2ccccc2 Amb18796015 [1,0,1,0,0,0|2,0,0]=4 302 B14R2.30 OC1CCCC1Pc2ccccc2 Amb24531674 [1,0,1,0,0,0|2,0,0]=4 303 B14R2.30 OC1CCCC1Sc2ccccc2 Amb19080441 [1,0,1,0,0,0|2,0,0]=4 304 B14R2.30 OC1CCNC1Cc2ccccc2 Amb25775108 [1,0,1,0,0,0|2,0,0]=4 305 B14R2.30 OC1CCN[C@@H]1Cc2ccccc2 Amb18195900 [1,0,1,0,0,0|2,0,0]=4 306 B14R2.30 OC1CCN[C@H]1Cc2ccccc2 Amb24489269 [1,0,1,0,0,0|2,0,0]=4 307 B14R2.30 OC1CSCC1Cc2ccccc2 Amb25333784 [1,0,1,0,0,0|2,0,0]=4 308 B14R2.30 OC1OCCC1Cc2ccccc2 Amb22752559 [1,0,1,0,0,0|2,0,0]=4 309 B14R2.30 O[C@@H]1CCC[C@H]1Nc2ccccc2 Amb24726900 [1,0,1,0,0,0|2,0,0]=4 310 B14R2.30 O[C@@H]1CCC[C@H]1Oc2ccccc2 Amb24438968 [1,0,1,0,0,0|2,0,0]=4 311 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccccc2 Amb25839231 [1,0,1,0,0,0|2,0,0]=4 312 B14R2.30 O[C@@H]1CCN[C@@H]1Cc2ccccc2 Amb24649744 [1,0,1,0,0,0|2,0,0]=4 313 B14R2.30 O[C@@H]1CNC[C@H]1Cc2ccccc2 Amb22747057 [1,0,1,0,0,0|2,0,0]=4 314 B14R2.30 O[C@@H]1COC[C@@H]1Cc2ccccc2 Amb24654939 [1,0,1,0,0,0|2,0,0]=4 315 B14R2.30 O[C@H]1CCC[C@@H]1Nc2ccccc2 Amb25337185 [1,0,1,0,0,0|2,0,0]=4 316 B14R2.30 O[C@H]1CCC[C@H]1Cc2ccccc2 Amb25236068 [1,0,1,0,0,0|1,0,0]=3 317 B14R2.30 O[C@H]1CCC[C@H]1Nc2ccccc2 Amb25294400 [1,0,1,0,0,0|2,0,0]=4 318 B14R2.30 O[C@H]1CNC[C@@H]1Cc2ccccc2 Amb24615154 [1,0,1,0,0,0|2,0,0]=4 319 B14R2.114 BrC(C1CCCC1)c2ccccc2 Amb25106398 [1,0,1,0,0,0|1,0,0]=3 320 B14R2.114 BrC(C1CCOC1)c2ccccc2 Amb24446311 [1,0,1,0,0,0|2,0,0]=4 321 B14R2.114 CC(C1CCCN1)c2ccccc2 Amb23536676 [1,0,1,0,0,0|1,0,0]=3 322 B14R2.114 CC(C1CCNC1)c2c[n]ccc2 Amb25703240 [1,0,1,0,0,0|2,0,0]=4 323 B14R2.114 CC(C1CCNC1)c2cccc[n]2 Amb25836696 [1,0,1,0,0,0|2,0,0]=4 324 B14R2.114 CC(C1CCNC1)c2ccccc2 Amb18197082 [1,0,1,0,0,0|1,0,0]=3 325 B14R2.114 CC(C1NCCS1)c2ccccc2 Amb18321178 [1,0,1,0,0,0|2,0,0]=4 326 B14R2.114 CC(c1c[n]ccc1)N2CCCC2 Amb24732696 [1,0,1,0,0,0|2,0,0]=4 327 B14R2.114 CC(c1cc[n]cc1)N2CCCC2 Amb25130198 [1,0,1,0,0,0|2,0,0]=4 328 B14R2.114 CC(c1cccc[n]1)N2CCCC2 Amb25167532 [1,0,1,0,0,0|2,0,0]=4 329 B14R2.114 CC(c1ccccc1)N2CCCC2 Amb25362841 [1,0,1,0,0,0|1,0,0]=3 330 B14R2.114 CN(C1CCCC1)c2cccc[n]2 Amb24387701 [1,0,1,0,0,0|2,0,0]=4 331 B14R2.114 CN(C1CCCC1)c2ccccc2 Amb24372522 [1,0,1,0,0,0|1,0,0]=3 332 B14R2.114 CN(C1CNCC1)c2ccccc2 Amb25069354 [1,0,1,0,0,0|2,0,0]=4 333 B14R2.114 CN(C1COCC1)c2ccccc2 Amb25316954 [1,0,1,0,0,0|2,0,0]=4 334 B14R2.114 ClC(C1CCCC1)c2ccccc2 Amb17689167 [1,0,1,0,0,0|1,0,0]=3 335 B14R2.114 ClC(C1CCCO1)c2ccccc2 Amb18321596 [1,0,1,0,0,0|2,0,0]=4 336 B14R2.114 ClC(C1CCOC1)c2ccccc2 Amb18318158 [1,0,1,0,0,0|2,0,0]=4 337 B14R2.114 NC(C1CCCC1)c2[n]ccc[n]2 Amb18281191 [1,0,1,0,0,0|2,0,0]=4 338 B14R2.114 NC(C1CCCC1)c2c[n]c[n]c2 Amb18962166 [1,0,1,0,0,0|2,0,0]=4 339 B14R2.114 NC(C1CCCC1)c2c[n]cc[n]2 Amb18949720 [1,0,1,0,0,0|2,0,0]=4 340 B14R2.114 NC(C1CCCC1)c2cc[n][n]c2 Amb25069958 [1,0,1,0,0,0|2,0,0]=4 341 B14R2.114 NC(C1CCCC1)c2cc[n]cc2 Amb18949712 [1,0,1,0,0,0|1,0,0]=3 342 B14R2.114 NC(C1CCCC1)c2ccc[n]c2 Amb18949709 [1,0,1,0,0,0|1,0,0]=3 343 B14R2.114 NC(C1CCCC1)c2cccc[n]2 Amb18281183 [1,0,1,0,0,0|1,0,0]=3 344 B14R2.114 NC(C1CCCO1)c2ccc[n]c2 Amb25692696 [1,0,1,0,0,0|2,0,0]=4 345 B14R2.114 NC(C1CCCS1)c2ccc[n]c2 Amb24685794 [1,0,1,0,0,0|2,0,0]=4 346 B14R2.114 NC(C1CCCS1)c2ccccc2 Amb25801544 [1,0,1,0,0,0|1,0,0]=3 347 B14R2.114 NC(C1CCNC1)c2ccccc2 Amb18196474 [1,0,1,0,0,0|1,0,0]=3 348 B14R2.114 NC(C1CCOC1)c2c[n]ccc2 Amb24639887 [1,0,1,0,0,0|2,0,0]=4 349 B14R2.114 NC(C1CCOC1)c2cccc[n]2 Amb25815133 [1,0,1,0,0,0|2,0,0]=4 350 B14R2.114 NC(C1CCOC1)c2ccccc2 Amb18952434 [1,0,1,0,0,0|1,0,0]=3 351 B14R2.114 NC(c1ccccc1)C2CCCO2 Amb10609099 [1,0,1,0,0,0|1,0,0]=3 352 B14R2.114 NC(c1ccccc1)C=2CCCC2 Amb18958459 [1,0,1,0,0,0|0,0,2]=4 353 B14R2.114 N[C@@H](C1CCCC1)c2cc[n]cc2 Amb25121916 [1,0,1,0,0,0|1,0,0]=3 354 B14R2.114 N[C@@H](C1CCCC1)c2ccc[n]c2 Amb24529403 [1,0,1,0,0,0|1,0,0]=3 355 B14R2.114 N[C@@H](C1CCCC1)c2cccc[n]2 Amb24470872 [1,0,1,0,0,0|1,0,0]=3 356 B14R2.114 N[C@@H](C1CCCC1)c2ccccc2 Amb22746902 [1,0,1,0,0,0|0,0,0]=2 357 B14R2.114 N[C@H](C1CCCC1)c2ccccc2 Amb22288670 [1,0,1,0,0,0|0,0,0]=2 358 B14R2.114 N[C@H](C1CCCC1)c2ccccc2 Amb24744528 [1,0,1,0,0,0|0,0,0]=2 359 B14R2.114 OC(C1CCCC1)c2cc[n]cc2 Amb18795916 [1,0,1,0,0,0|2,0,0]=4 360 B14R2.114 OC(C1CCCC1)c2cccc[n]2 Amb18180663 [1,0,1,0,0,0|2,0,0]=4 361 B14R2.114 OC(C1CCCN1)c2ccccc2 Amb18065714 [1,0,1,0,0,0|2,0,0]=4 362 B14R2.114 OC(C1CCCO1)c2ccccc2 Amb18180774 [1,0,1,0,0,0|2,0,0]=4 363 B14R2.114 OC(C1CCOC1)c2ccccc2 Amb18790941 [1,0,1,0,0,0|2,0,0]=4 364 B14R2.114 OC(C1CCSC1)c2ccccc2 Amb24735457 [1,0,1,0,0,0|2,0,0]=4 365 B14R2.114 OC([C@H]1CCCN1)c2ccccc2 Amb25719320 [1,0,1,0,0,0|2,0,0]=4 366 B14R2.114 OC(c1ccccc1)C2CCCC2 Amb17138792 [1,0,1,0,0,0|1,0,0]=3 367 B14R2.114 OC(c1ccccc1)C2CCCN2 Amb17138819 [1,0,1,0,0,0|2,0,0]=4 368 B14R2.114 OC(c1ccccc1)N2CCCC2 Amb25680669 [1,0,1,0,0,0|2,0,0]=4 369 B14R2.114 OC(c1cccnc1)C2CCCC2 Amb17233268 [1,0,1,0,0,0|2,0,0]=4 370 B14R2.114 O[C@@H](C1CCNC1)c2ccccc2 Amb25082591 [1,0,1,0,0,0|2,0,0]=4 371 B14R2.114 O[C@@H]([C@@H]1CCCN1)c2ccccc2 Amb25294762 [1,0,1,0,0,0|2,0,0]=4 372 B14R2.114 O[C@@H]([C@@H]1CCCO1)c2ccccc2 Amb25176419 [1,0,1,0,0,0|2,0,0]=4 373 B14R2.114 O[C@@H]([C@H]1CCCN1)c2ccccc2 Amb24680163 [1,0,1,0,0,0|2,0,0]=4 374 B14R2.114 O[C@@H]([C@H]1CCCO1)c2ccccc2 Amb25176420 [1,0,1,0,0,0|2,0,0]=4 375 B14R2.114 O[C@H](C1CCCC1)c2ccccc2 Amb25089275 [1,0,1,0,0,0|1,0,0]=3 376 B14R2.114 O[C@H]([C@H]1CCCN1)c2ccccc2 Amb25238672 [1,0,1,0,0,0|2,0,0]=4 377 B14R2.114 O[C@H]([C@H]1CCCO1)c2ccccc2 Amb24575609 [1,0,1,0,0,0|2,0,0]=4 378 B14R2.114 S=C(C1CCCC1)c2ccccc2 Amb25188041 [1,0,1,0,0,0|1,0,1]=4 379 B14R2.4514 CC1C(CCN1C)c2ccccc2 Amb25852726 [1,0,1,0,0,0|2,0,0]=4 380 B14R2.4514 CC1C(CNC1=O)c2ccccc2 Amb24312552 [1,0,1,0,0,0|1,0,1]=4 381 B14R2.4514 CC1C(Cl)CCC1c2ccccc2 Amb25099721 [1,0,1,0,0,0|2,0,0]=4 382 B14R2.4514 CC1C(N)CCC1c2ccccc2 Amb25667957 [1,0,1,0,0,0|2,0,0]=4 383 B14R2.4514 CC1CCC(C1O)c2ccccc2 Amb25051348 [1,0,1,0,0,0|2,0,0]=4 384 B14R2.4514 C[C@H]1CC[C@H]([C@@H]1O)c2ccccc2 Amb25256763 [1,0,1,0,0,0|2,0,0]=4 385 B16R2.150 CCCCN1CCC(C1)c2ccccc2 Amb10568965 [0,1,1,0,0,0|2,0,0]=4 386 B16R2.150 CCNCC1CN(CC1)c2ccccc2 Amb19023499 [0,1,1,0,0,0|2,0,0]=4 387 B16R2.150 COCCN1CCC(C1)c2ccccc2 Amb15466969 [0,1,1,0,0,0|2,0,0]=4 388 B16R2.150 OCCCN1CCC(C1)c2ccccc2 Amb15467098 [0,1,1,0,0,0|2,0,0]=4 389 B16R2.157 CC(N)CN1CC(CC1)c2ccccc2 Amb24772541 [0,1,1,0,0,0|2,0,0]=4 390 B16R2.99 CCCN1CCCC1c2ccc(F)cc2 Amb23578436 [0,1,1,0,0,0|2,0,0]=4 391 B16R2.148 COC(=O)C1CNCC1c2ccccc2 Amb22586139 [0,1,1,0,0,0|1,0,1]=4 392 B16R2.148 COC(=O)C1CNCC1c2ccccc2 Amb2382881 [0,1,1,0,0,0|1,0,1]=4 393 B16R2.148 COC(=O)[C@H]1CNC[C@@H]1c2ccccc2 Amb10808429 [0,1,1,0,0,0|1,0,1]=4 394 B16R2.156 COCCN1CCCC1c2ccccc2 Amb20863160 [0,1,1,0,0,0|2,0,0]=4 395 B16R2.156 OCCCN1CCCC1c2ccccc2 Amb20848512 [0,1,1,0,0,0|2,0,0]=4 396 B16R2.161 CC(C)CN1CCCC1c2ccccc2 Amb20863164 [0,1,1,0,0,0|2,0,0]=4 397 B16R2.161 CC(N)CN1CCCC1c2ccccc2 Amb24783985 [0,1,1,0,0,0|2,0,0]=4 398 B16R2.28 CCC1C(N)CCN1Cc2ccccc2 Amb18783762 [0,1,1,0,0,0|2,0,0]=4 399 B16R2.59 BrCCC1CCCN1Cc2ccccc2 Amb25065691 [0,1,1,0,0,0|2,0,0]=4 400 B16R2.59 CNCC1CCCN1Cc2c[n]ccc2 Amb24771280 [0,1,1,0,0,0|2,0,0]=4 401 B16R2.59 CNCC1CCCN1Cc2cc[n]cc2 Amb24771277 [0,1,1,0,0,0|2,0,0]=4 402 B16R2.59 CNCC1CCCN1Cc2cccc[n]2 Amb24771279 [0,1,1,0,0,0|2,0,0]=4 403 B16R2.59 CNCC1CCCN1Cc2ccccc2 Amb24771278 [0,1,1,0,0,0|1,0,0]=3 404 B16R2.59 CNC[C@@H]1CCCN1Cc2ccccc2 Amb22224771 [0,1,1,0,0,0|1,0,0]=3 405 B16R2.59 CNC[C@H]1CCCN1Cc2ccccc2 Amb25840408 [0,1,1,0,0,0|1,0,0]=3 406 B16R2.59 NCCC1CCCN1Cc2ccccc2 Amb18783719 [0,1,1,0,0,0|2,0,0]=4 407 B16R2.168 CCC1CCCN1Cc2cccc(Br)c2 Amb25840375 [0,1,1,0,0,0|2,0,0]=4 408 B16R2.464 CC(=O)N1CCCC1Cc2ccccc2 Amb20894078 [0,1,1,0,0,0|2,0,0]=4 409 B16R2.464 CN(C)[C@@H]1CCN[C@H]1Cc2ccccc2 Amb22857520 [0,1,1,0,0,0|1,0,0]=3 410 B16R2.1632 COC1CCCC1Oc2ccccc2Br Amb24687870 [0,1,1,0,0,0|2,0,0]=4 411 B16R2.2516 CCC1OCCC1C(Cl)c2ccccc2 Amb24684616 [0,1,1,0,0,0|2,0,0]=4 412 B16R2.100 CCCC(c1ccccc1)N2CCCC2 Amb24063849 [0,1,1,0,0,0|2,0,0]=4 413 B16R2.100 CCNC(C1COCC1)c2ccccc2 Amb19011883 [0,1,1,0,0,0|2,0,0]=4 414 B16R2.100 CNCC(c1ccccc1)C2CCCC2 Amb17237852 [0,1,1,0,0,0|0,0,0]=2 415 B16R2.100 N#CCN(C1CCCC1)c2ccccc2 Amb20644065 [0,1,1,0,0,0|1,0,1]=4 416 B16R2.100 NCCC(c1cccc[n]1)N2CCCC2 Amb18782112 [0,1,1,0,0,0|2,0,0]=4 417 B16R2.100 NCCC(c1ccccc1)C2CCCC2 Amb17237898 [0,1,1,0,0,0|0,0,0]=2 418 B16R2.100 NCCN(C1CCCC1)c2ccccc2 Amb24773124 [0,1,1,0,0,0|1,0,0]=3 419 B16R2.100 O=C=NC(c1ccccc1)C2CCCC2 Amb17237286 [0,1,1,0,0,0|1,0,1]=4 420 B16R2.100 OCCC(c1ccccc1)C2CCCC2 Amb17238216 [0,1,1,0,0,0|1,0,0]=3 421 B16R2.188 CCC(c1ccccc1)N2CCC(N)C2 Amb25387894 [0,1,1,0,0,0|2,0,0]=4 422 B16R2.188 CCC(c1ccccc1)N2CC[C@@H](N)C2 Amb24785150 [0,1,1,0,0,0|2,0,0]=4 423 B16R2.188 CCC(c1ccccc1)N2CC[C@H](N)C2 Amb24785151 [0,1,1,0,0,0|2,0,0]=4 424 B16R2.189 BrCC(c1ccc(cc1)C)C2CCCC2 Amb17272609 [0,1,1,0,0,0|1,0,0]=3 425 B16R2.189 BrCC(c1ccc(cc1)Cl)C2CCCC2 Amb17287379 [0,1,1,0,0,0|1,0,0]=3 426 B16R2.189 BrCC(c1ccc(cc1)F)C2CCCC2 Amb17275351 [0,1,1,0,0,0|1,0,0]=3 427 B16R2.189 Brc1ccc(cc1)C(CBr)C2CCCC2 Amb25207021 [0,1,1,0,0,0|1,0,0]=3 428 B16R2.189 CCC(c1ccc(cc1)N)N2CCCC2 Amb17090426 [0,1,1,0,0,0|2,0,0]=4 429 B16R2.189 ClCC(c1ccc(cc1)Br)C2CCCC2 Amb17287383 [0,1,1,0,0,0|1,0,0]=3 430 B16R2.189 ClCC(c1ccc(cc1)C)C2CCCC2 Amb17245942 [0,1,1,0,0,0|1,0,0]=3 431 B16R2.189 ClCC(c1ccc(cc1)C)N2CCCC2 Amb17246412 [0,1,1,0,0,0|2,0,0]=4 432 B16R2.189 ClCC(c1ccc(cc1)Cl)C2CCCC2 Amb17256474 [0,1,1,0,0,0|1,0,0]=3 433 B16R2.189 ClCC(c1ccc(cc1)Cl)N2CCCC2 Amb17256985 [0,1,1,0,0,0|2,0,0]=4 434 B16R2.189 ClCC(c1ccc(cc1)F)C2CCCC2 Amb17247574 [0,1,1,0,0,0|1,0,0]=3 435 B16R2.189 ClCC(c1ccc(cc1)F)N2CCCC2 Amb17247994 [0,1,1,0,0,0|2,0,0]=4 436 B16R2.189 N#CC(c1ccc(cc1)Br)C2CCCC2 Amb17270786 [0,1,1,0,0,0|0,0,2]=4 437 B16R2.189 N#CC(c1ccc(cc1)C)C2CCCC2 Amb17236974 [0,1,1,0,0,0|0,0,2]=4 438 B16R2.189 N#CC(c1ccc(cc1)Cl)C2CCCC2 Amb17244093 [0,1,1,0,0,0|0,0,2]=4 439 B16R2.189 N#CC(c1ccc(cc1)F)C2CCCC2 Amb17237697 [0,1,1,0,0,0|0,0,2]=4 440 B16R2.189 NCC(C1CCCC1)c2ccc(Cl)cc2 Amb22284196 [0,1,1,0,0,0|0,0,0]=2 441 B16R2.189 NCC(c1ccc(Cl)cc1)N2CCCC2 Amb21954342 [0,1,1,0,0,0|1,0,0]=3 442 B16R2.189 NCC(c1ccc(cc1)Br)C2CCCC2 Amb17087385 [0,1,1,0,0,0|0,0,0]=2 443 B16R2.189 NCC(c1ccc(cc1)Br)N2CCCC2 Amb1129435 [0,1,1,0,0,0|1,0,0]=3 444 B16R2.189 NCC(c1ccc(cc1)C)C2CCCC2 Amb17087376 [0,1,1,0,0,0|0,0,0]=2 445 B16R2.189 NCC(c1ccc(cc1)C)N2CCCC2 Amb1126755 [0,1,1,0,0,0|1,0,0]=3 446 B16R2.189 NCC(c1ccc(cc1)Cl)C2CCCC2 Amb17087384 [0,1,1,0,0,0|0,0,0]=2 447 B16R2.189 NCC(c1ccc(cc1)Cl)N2CCCC2 Amb1128719 [0,1,1,0,0,0|1,0,0]=3 448 B16R2.189 NCC(c1ccc(cc1)Cl)N2CCCC2 Amb15740798 [0,1,1,0,0,0|1,0,0]=3 449 B16R2.189 NCC(c1ccc(cc1)F)C2CCCC2 Amb17087383 [0,1,1,0,0,0|0,0,0]=2 450 B16R2.189 NCC(c1ccc(cc1)F)N2CCCC2 Amb1134410 [0,1,1,0,0,0|1,0,0]=3 451 B16R2.189 NCC(c1ccc(cc1)O)N2CCCC2 Amb1127156 [0,1,1,0,0,0|1,0,0]=3 452 B16R2.189 Nc1ccc(cc1)C(CN)C2CCCC2 Amb18062061 [0,1,1,0,0,0|0,0,0]=2 453 B16R2.189 Nc1ccc(cc1)C(CO)C2CCCC2 Amb18062050 [0,1,1,0,0,0|1,0,0]=3 454 B16R2.189 OCC(c1ccc(cc1)Br)C2CCCC2 Amb17273858 [0,1,1,0,0,0|1,0,0]=3 455 B16R2.189 OCC(c1ccc(cc1)Br)N2CCCC2 Amb17274559 [0,1,1,0,0,0|2,0,0]=4 456 B16R2.189 OCC(c1ccc(cc1)C)C2CCCC2 Amb17238185 [0,1,1,0,0,0|1,0,0]=3 457 B16R2.189 OCC(c1ccc(cc1)C)N2CCCC2 Amb17238476 [0,1,1,0,0,0|2,0,0]=4 458 B16R2.189 OCC(c1ccc(cc1)Cl)C2CCCC2 Amb17246799 [0,1,1,0,0,0|1,0,0]=3 459 B16R2.189 OCC(c1ccc(cc1)Cl)N2CCCC2 Amb17247171 [0,1,1,0,0,0|2,0,0]=4 460 B16R2.189 OCC(c1ccc(cc1)F)C2CCCC2 Amb17239891 [0,1,1,0,0,0|1,0,0]=3 461 B16R2.189 OCC(c1ccc(cc1)F)N2CCCC2 Amb17240229 [0,1,1,0,0,0|2,0,0]=4 462 B16R2.189 Oc1ccc(cc1)C(C=O)C2CCCC2 Amb22750866 [0,1,1,0,0,0|1,0,1]=4 463 B16R2.519 CC(C(c1ccccc1)N2CCCC2)C Amb10554914 [0,1,1,0,0,0|2,0,0]=4 464 B16R2.519 CC(C(c1ccccc1)N2CCCC2)N Amb1138566 [0,1,1,0,0,0|1,0,0]=3 465 B16R2.519 O=C(Cl)C(C1CCCC1)c2ccccc2 Amb24090313 [0,1,1,0,0,0|1,0,1]=4 466 B16R2.2222 BrCC(c1cccc(c1)C)C2CCCC2 Amb17272607 [0,1,1,0,0,0|1,0,0]=3 467 B16R2.2222 BrCC(c1cccc(c1)Cl)C2CCCC2 Amb17287377 [0,1,1,0,0,0|1,0,0]=3 468 B16R2.2222 CCC(c1cccc(c1)N)N2CCCC2 Amb17090342 [0,1,1,0,0,0|2,0,0]=4 469 B16R2.2222 CNC(C1CCCC1)c2cc(Br)ccc2 Amb18593113 [0,1,1,0,0,0|2,0,0]=4 470 B16R2.2222 ClCC(c1cccc(c1)Br)C2CCCC2 Amb17287381 [0,1,1,0,0,0|1,0,0]=3 471 B16R2.2222 ClCC(c1cccc(c1)C)C2CCCC2 Amb17245940 [0,1,1,0,0,0|1,0,0]=3 472 B16R2.2222 ClCC(c1cccc(c1)C)N2CCCC2 Amb17246411 [0,1,1,0,0,0|2,0,0]=4 473 B16R2.2222 ClCC(c1cccc(c1)Cl)C2CCCC2 Amb17256472 [0,1,1,0,0,0|1,0,0]=3 474 B16R2.2222 ClCC(c1cccc(c1)Cl)N2CCCC2 Amb17256984 [0,1,1,0,0,0|2,0,0]=4 475 B16R2.2222 N#CC(c1cccc(c1)Br)C2CCCC2 Amb17270785 [0,1,1,0,0,0|0,0,2]=4 476 B16R2.2222 N#CC(c1cccc(c1)C)C2CCCC2 Amb17236973 [0,1,1,0,0,0|0,0,2]=4 477 B16R2.2222 N#CC(c1cccc(c1)Cl)C2CCCC2 Amb17244092 [0,1,1,0,0,0|0,0,2]=4 478 B16R2.2222 NCC(c1c[n]cc(Br)c1)N2CCCC2 Amb23509900 [0,1,1,0,0,0|2,0,0]=4 479 B16R2.2222 NCC(c1cccc(c1)Br)C2CCCC2 Amb17273296 [0,1,1,0,0,0|0,0,0]=2 480 B16R2.2222 NCC(c1cccc(c1)Br)N2CCCC2 Amb1139888 [0,1,1,0,0,0|1,0,0]=3 481 B16R2.2222 NCC(c1cccc(c1)C)C2CCCC2 Amb17194405 [0,1,1,0,0,0|0,0,0]=2 482 B16R2.2222 NCC(c1cccc(c1)C)N2CCCC2 Amb1125477 [0,1,1,0,0,0|1,0,0]=3 483 B16R2.2222 NCC(c1cccc(c1)Cl)C2CCCC2 Amb17194403 [0,1,1,0,0,0|0,0,0]=2 484 B16R2.2222 NCC(c1cccc(c1)Cl)N2CCCC2 Amb1137629 [0,1,1,0,0,0|1,0,0]=3 485 B16R2.2222 NCC(c1cccc(c1)F)C2CCCC2 Amb17194401 [0,1,1,0,0,0|0,0,0]=2 486 B16R2.2222 NCC(c1cccc(c1)F)N2CCCC2 Amb1141133 [0,1,1,0,0,0|1,0,0]=3 487 B16R2.2222 NCC(c1cccc(c1)O)N2CCCC2 Amb1135616 [0,1,1,0,0,0|1,0,0]=3 488 B16R2.2222 Nc1cc(ccc1)C(CN)C2CCCC2 Amb18062074 [0,1,1,0,0,0|0,0,0]=2 489 B16R2.2222 Nc1cc(ccc1)C(CO)C2CCCC2 Amb18559545 [0,1,1,0,0,0|1,0,0]=3 490 B16R2.2222 OCC(c1cccc(F)c1)N2CCCC2 Amb23442894 [0,1,1,0,0,0|2,0,0]=4 491 B16R2.2222 OCC(c1cccc(c1)Br)C2CCCC2 Amb17273856 [0,1,1,0,0,0|1,0,0]=3 492 B16R2.2222 OCC(c1cccc(c1)Br)N2CCCC2 Amb17274557 [0,1,1,0,0,0|2,0,0]=4 493 B16R2.2222 OCC(c1cccc(c1)C)C2CCCC2 Amb17194393 [0,1,1,0,0,0|1,0,0]=3 494 B16R2.2222 OCC(c1cccc(c1)C)N2CCCC2 Amb17238474 [0,1,1,0,0,0|2,0,0]=4 495 B16R2.2222 OCC(c1cccc(c1)Cl)C2CCCC2 Amb17194391 [0,1,1,0,0,0|1,0,0]=3 496 B16R2.2222 OCC(c1cccc(c1)Cl)N2CCCC2 Amb17247169 [0,1,1,0,0,0|2,0,0]=4 497 B16R2.2222 OCC(c1cccc(c1)F)C2CCCC2 Amb17194389 [0,1,1,0,0,0|1,0,0]=3 498 B16R2.2442 CC(CO)(c1ccccc1)N2CCCC2 Amb23555672 [0,1,1,0,0,0|2,0,0]=4 499 B16R2.5483 BrCC(c1ccccc1C)C2CCCC2 Amb17272605 [0,1,1,0,0,0|1,0,0]=3 500 B16R2.5483 BrCC(c1ccccc1Cl)C2CCCC2 Amb17287375 [0,1,1,0,0,0|1,0,0]=3 501 B16R2.5483 BrCC(c1ccccc1F)C2CCCC2 Amb17275349 [0,1,1,0,0,0|1,0,0]=3 502 B16R2.5483 ClCC(c1ccccc1C)C2CCCC2 Amb17245938 [0,1,1,0,0,0|1,0,0]=3 503 B16R2.5483 ClCC(c1ccccc1C)N2CCCC2 Amb17246410 [0,1,1,0,0,0|2,0,0]=4 504 B16R2.5483 ClCC(c1ccccc1Cl)C2CCCC2 Amb17256470 [0,1,1,0,0,0|1,0,0]=3 505 B16R2.5483 ClCC(c1ccccc1Cl)N2CCCC2 Amb17256983 [0,1,1,0,0,0|2,0,0]=4 506 B16R2.5483 ClCC(c1ccccc1F)C2CCCC2 Amb17247572 [0,1,1,0,0,0|1,0,0]=3 507 B16R2.5483 ClCC(c1ccccc1F)N2CCCC2 Amb17247993 [0,1,1,0,0,0|2,0,0]=4 508 B16R2.5483 N#CC(c1ccccc1C)C2CCCC2 Amb17236972 [0,1,1,0,0,0|0,0,2]=4 509 B16R2.5483 N#CC(c1ccccc1Cl)C2CCCC2 Amb2099572 [0,1,1,0,0,0|0,0,2]=4 510 B16R2.5483 N#CC(c1ccccc1F)C2CCCC2 Amb17237696 [0,1,1,0,0,0|0,0,2]=4 511 B16R2.5483 NCC(c1ccccc1C)C2CCCC2 Amb17194404 [0,1,1,0,0,0|0,0,0]=2 512 B16R2.5483 NCC(c1ccccc1C)N2CCCC2 Amb1129133 [0,1,1,0,0,0|1,0,0]=3 513 B16R2.5483 NCC(c1ccccc1Cl)C2CCCC2 Amb17194402 [0,1,1,0,0,0|0,0,0]=2 514 B16R2.5483 NCC(c1ccccc1Cl)N2CCCC2 Amb10576202 [0,1,1,0,0,0|1,0,0]=3 515 B16R2.5483 NCC(c1ccccc1F)C2CCCC2 Amb17194400 [0,1,1,0,0,0|0,0,0]=2 516 B16R2.5483 NCC(c1ccccc1F)N2CCCC2 Amb1102630 [0,1,1,0,0,0|1,0,0]=3 517 B16R2.5483 NCC(c1ccccc1O)N2CCCC2 Amb17143364 [0,1,1,0,0,0|1,0,0]=3 518 B16R2.5483 Nc1ccccc1C(CN)C2CCCC2 Amb18559558 [0,1,1,0,0,0|0,0,0]=2 519 B16R2.5483 Nc1ccccc1C(CO)C2CCCC2 Amb18559553 [0,1,1,0,0,0|1,0,0]=3 520 B16R2.5483 OCC(c1ccccc1C)C2CCCC2 Amb17194392 [0,1,1,0,0,0|1,0,0]=3 521 B16R2.5483 OCC(c1ccccc1C)N2CCCC2 Amb17238472 [0,1,1,0,0,0|2,0,0]=4 522 B16R2.5483 OCC(c1ccccc1Cl)C2CCCC2 Amb17194390 [0,1,1,0,0,0|1,0,0]=3 523 B16R2.5483 OCC(c1ccccc1Cl)N2CCCC2 Amb17247167 [0,1,1,0,0,0|2,0,0]=4 524 B16R2.5483 OCC(c1ccccc1F)C2CCCC2 Amb17194388 [0,1,1,0,0,0|1,0,0]=3 525 B16R2.5483 OCC(c1ccccc1F)N2CCCC2 Amb17240227 [0,1,1,0,0,0|2,0,0]=4 526 B16R2.1084 CC1CCCC1C(Br)c2ccc(Br)cc2 Amb24338854 [0,1,1,0,0,0|2,0,0]=4 527 B16R2.1084 CC1CCCC1C(Br)c2ccc(F)cc2 Amb24759979 [0,1,1,0,0,0|2,0,0]=4 528 B16R2.1084 CC1CCCC1C(Cl)c2ccc(Br)cc2 Amb24527075 [0,1,1,0,0,0|2,0,0]=4 529 B16R2.1084 CC1CCCC1C(Cl)c2ccc(Cl)cc2 Amb25265163 [0,1,1,0,0,0|2,0,0]=4 530 B16R2.1084 CC1CCCC1C(Cl)c2ccc(F)cc2 Amb25378292 [0,1,1,0,0,0|2,0,0]=4 531 B16R2.1084 Cc1ccc(cc1)C(=O)C2CCCC2N Amb24359737 [0,1,1,0,0,0|1,0,1]=4 532 B16R2.1084 Cc1ccc(cc1)C(Br)C2CCCC2C Amb24604238 [0,1,1,0,0,0|2,0,0]=4 533 B16R2.1084 NC1CCCC1C(=O)c2ccc(F)cc2 Amb25836654 [0,1,1,0,0,0|1,0,1]=4 534 B16R2.6779 CC1(C)CCCC1C(Br)c2ccccc2 Amb25327981 [0,1,1,0,0,0|2,0,0]=4 535 B16R2.6779 CC1(C)CCCC1C(Cl)c2ccccc2 Amb24698204 [0,1,1,0,0,0|2,0,0]=4 536 B16R2.6779 FC1(F)CCCC1C(Br)c2ccccc2 Amb25058920 [0,1,1,0,0,0|2,0,0]=4 537 B16R2.6779 FC1(F)CCCC1C(Cl)c2ccccc2 Amb25274686 [0,1,1,0,0,0|2,0,0]=4 538 B16R2.12681 CC1(CCCC1N)C(=O)c2ccccc2 Amb25736415 [0,1,1,0,0,0|1,0,1]=4 539 B16R2.22598 Cc1ccccc1C(=O)C2CCCC2N Amb25698004 [0,1,1,0,0,0|1,0,1]=4 540 B16R2.25698 Cc1cc(ccc1)C(=O)C2CCCC2N Amb24699983 [0,1,1,0,0,0|1,0,1]=4 541 B16R2.25698 NC1CCCC1C(=O)c2cc(Cl)ccc2 Amb25367876 [0,1,1,0,0,0|1,0,1]=4 542 B16R2.135 Brc1ccc(CCCN2CCCC2)cc1 Amb22263723 [0,1,1,0,0,0|2,0,0]=4 543 B16R2.135 Brc1ccc(cc1)CCNC2CCCC2 Amb17273303 [0,1,1,0,0,0|0,0,0]=2 544 B16R2.135 Cc1ccc(CCCC2CCCN2)cc1 Amb18566842 [0,1,1,0,0,0|2,0,0]=4 545 B16R2.135 Cc1ccc(cc1)CCNC2CCCC2 Amb17237864 [0,1,1,0,0,0|0,0,0]=2 546 B16R2.135 Cc1ccc(cc1)NCCC2CCCC2 Amb20091165 [0,1,1,0,0,0|2,0,0]=4 547 B16R2.135 Clc1ccc(CCCC2CCCN2)cc1 Amb18571054 [0,1,1,0,0,0|2,0,0]=4 548 B16R2.135 Fc1ccc(CCCC2CCCN2)cc1 Amb18568081 [0,1,1,0,0,0|2,0,0]=4 549 B16R2.135 Fc1ccc(CCNC2CCCC2)cc1 Amb20668800 [0,1,1,0,0,0|0,0,0]=2 550 B16R2.135 Fc1ccc(cc1)NCCC2CCCC2 Amb20091168 [0,1,1,0,0,0|2,0,0]=4 551 B16R2.135 Nc1ccc(CCNC2CCCC2)cc1 Amb18305289 [0,1,1,0,0,0|0,0,0]=2 552 B16R2.135 Nc1ccc(cc1)CCCN2CCCC2 Amb17050732 [0,1,1,0,0,0|2,0,0]=4 553 B16R2.135 Nc1ccc(cc1)CCCN2CCCC2 Amb17505006 [0,1,1,0,0,0|2,0,0]=4 554 B16R2.135 Oc1ccc(cc1)CCCN2CCCC2 Amb17511326 [0,1,1,0,0,0|2,0,0]=4 555 B16R2.255 Brc1cccc(c1)CCNC2CCCC2 Amb17273297 [0,1,1,0,0,0|0,0,0]=2 556 B16R2.255 Cc1cc(CCCC2CCCN2)ccc1 Amb18566841 [0,1,1,0,0,0|2,0,0]=4 557 B16R2.255 Cc1cc(ccc1)NCCC2CCCC2 Amb20091162 [0,1,1,0,0,0|2,0,0]=4 558 B16R2.255 Cc1cccc(c1)CCNC2CCCC2 Amb17237859 [0,1,1,0,0,0|0,0,0]=2 559 B16R2.255 Clc1cc(CCCC2CCCN2)ccc1 Amb18571053 [0,1,1,0,0,0|2,0,0]=4 560 B16R2.255 Clc1cccc(c1)CCNC2CCCC2 Amb17246424 [0,1,1,0,0,0|0,0,0]=2 561 B16R2.255 Fc1cc(CCCC2CCCN2)ccc1 Amb18568080 [0,1,1,0,0,0|2,0,0]=4 562 B16R2.255 Fc1cc(CCNC2CCCC2)ccc1 Amb20668801 [0,1,1,0,0,0|0,0,0]=2 563 B16R2.255 Nc1cc(CCNC2CCCC2)ccc1 Amb18550392 [0,1,1,0,0,0|0,0,0]=2 564 B16R2.255 Nc1cccc(c1)CCCN2CCCC2 Amb17050708 [0,1,1,0,0,0|2,0,0]=4 565 B16R2.255 Oc1cccc(c1)CCCN2CCCC2 Amb17511302 [0,1,1,0,0,0|2,0,0]=4 566 B16R2.524 CN(Cc1ccccc1)CC2CCCC2 Amb17237838 [0,1,1,0,0,0|2,0,0]=4 567 B16R2.524 S=C(Nc1ccccc1)NC2CCCC2 Amb1264290 [0,1,1,0,0,0|1,0,1]=4 568 B16R2.2238 CN(C1CCCC1)CCc2ccccn2 Amb1869874 [0,1,1,0,0,0|1,0,0]=3 569 B16R2.2238 CN(C1CNCC1)CCc2ccncc2 Amb17134916 [0,1,1,0,0,0|2,0,0]=4 570 B16R2.2238 CN(CCc1ccccc1)C2CNCC2 Amb20622835 [0,1,1,0,0,0|1,0,0]=3 571 B16R2.2238 N=C(NCc1ccccc1)C2CCCC2 Amb24689744 [0,1,1,0,0,0|2,0,0]=4 572 B16R2.2238 NC(C1CCCC1)CCc2ccccc2 Amb17139926 [0,1,1,0,0,0|1,0,0]=3 573 B16R2.2238 O=C(C1CCCN1)CCc2ccccc2 Amb17237814 [0,1,1,0,0,0|2,0,0]=4 574 B16R2.2238 O=C(CNc1ccccc1)C2CCCC2 Amb25168317 [0,1,1,0,0,0|2,0,0]=4 575 B16R2.2238 O=C(OCc1ccccc1)C2CCCC2 Amb24393419 [0,1,1,0,0,0|2,0,0]=4 576 B16R2.2238 O=S(NCc1ccccc1)C2CCCC2 Amb24600935 [0,1,1,0,0,0|2,0,0]=4 577 B16R2.2238 OC(C1CCCC1)CCc2ccccc2 Amb17139972 [0,1,1,0,0,0|1,0,0]=3 578 B16R2.2238 S=C(CCc1ccccc1)N2CCCC2 Amb24102489 [0,1,1,0,0,0|2,0,0]=4 579 B16R2.2238 S=C(NCc1ccccc1)C2CCCC2 Amb22461917 [0,1,1,0,0,0|2,0,0]=4 580 B16R2.2832 CC1CC(CC1)CNCc2ccccc2 Amb24740516 [0,1,1,0,0,0|2,0,0]=4 581 B16R2.2832 CC1CC(CS1)NOCc2ccccc2 Amb24378784 [0,1,1,0,0,0|2,0,0]=4 582 B16R2.2832 ClC1CC(CC1)CNCc2ccccc2 Amb25136935 [0,1,1,0,0,0|2,0,0]=4 583 B16R2.2832 NC1CC(CC1)NOCc2ccccc2 Amb25767227 [0,1,1,0,0,0|1,0,0]=3 584 B16R2.2832 NC1CCN(C1)CCCc2ccccc2 Amb17471126 [0,1,1,0,0,0|2,0,0]=4 585 B16R2.2959 Brc1ccccc1CCCN2CCCC2 Amb22900147 [0,1,1,0,0,0|2,0,0]=4 586 B16R2.2959 Cc1ccccc1CCCC2CCCN2 Amb18566840 [0,1,1,0,0,0|2,0,0]=4 587 B16R2.2959 Cc1ccccc1CCNC2CCCC2 Amb17237854 [0,1,1,0,0,0|0,0,0]=2 588 B16R2.2959 Clc1ccccc1CCCC2CCCN2 Amb18571052 [0,1,1,0,0,0|2,0,0]=4 589 B16R2.2959 Clc1ccccc1CCNC2CCCC2 Amb17246418 [0,1,1,0,0,0|0,0,0]=2 590 B16R2.2959 Fc1ccccc1NCCC2CCCC2 Amb20091182 [0,1,1,0,0,0|2,0,0]=4 591 B16R2.2959 Nc1ccccc1CCCN2CCCC2 Amb17050683 [0,1,1,0,0,0|2,0,0]=4 592 B16R2.3250 CC1CCCC1NOCc2ccccc2 Amb24649445 [0,1,1,0,0,0|1,0,0]=3 593 B16R2.3250 CC1SCCC1NOCc2ccccc2 Amb25262020 [0,1,1,0,0,0|2,0,0]=4 594 B16R2.3250 ClC1CCCC1CNCc2ccccc2 Amb24391432 [0,1,1,0,0,0|2,0,0]=4 595 B16R2.3250 NC1CCCC1CNCc2ccccc2 Amb24657070 [0,1,1,0,0,0|2,0,0]=4 596 B16R2.3250 NC1CCCC1NCCc2ccccc2 Amb23559169 [0,1,1,0,0,0|0,0,0]=2 597 B16R2.3250 OC1CCCC1NOCc2ccccc2 Amb25088602 [0,1,1,0,0,0|1,0,0]=3 598 B16R2.3250 OC1COCC1NCCc2ccccc2 Amb19006714 [0,1,1,0,0,0|1,0,0]=3 599 B16R2.3250 OC1COCC1NOCc2ccccc2 Amb25275852 [0,1,1,0,0,0|2,0,0]=4 600 B16R2.3250 O[C@@H]1CCC[C@@H]1CNCc2ccccc2 Amb22800128 [0,1,1,0,0,0|2,0,0]=4 601 B16R2.5767 CC(c1ccccc1)CNC2CCCC2 Amb1851172 [0,1,1,0,0,0|0,0,0]=2 602 B16R2.5767 CC(c1ccccc1)CNC2CCCC2 Amb2119274 [0,1,1,0,0,0|0,0,0]=2 603 B16R2.5767 ClC(CCN1CCCC1)c2ccccc2 Amb24064159 [0,1,1,0,0,0|2,0,0]=4 604 B16R2.5767 NC(CNC1CCCC1)c2ccccc2 Amb18305288 [0,1,1,0,0,0|0,0,0]=2 605 B16R2.5767 O=C(c1ccccc1)CSC2CCCC2 Amb15250 [0,1,1,0,0,0|1,0,1]=4 606 B16R2.5767 OC(CCN1CCCC1)c2ccccc2 Amb21984415 [0,1,1,0,0,0|2,0,0]=4 607 B16R2.5767 OC(CNC1CCCC1)c2ccccc2 Amb19185337 [0,1,1,0,0,0|0,0,0]=2 608 B16R2.5767 OC(c1ccccc1)CCN2CCCC2 Amb17231412 [0,1,1,0,0,0|2,0,0]=4 609 B16R2.5767 OC(c1ccccc1)CNC2CCCC2 Amb21575 [0,1,1,0,0,0|0,0,0]=2 610 B16R2.5767 OC(c1ccccn1)CNC2CCCC2 Amb17140107 [0,1,1,0,0,0|1,0,0]=3 611 B16R2.5767 OC(c1cccnc1)CNC2CCCC2 Amb17140108 [0,1,1,0,0,0|1,0,0]=3 612 B16R2.5767 OC(c1ccncc1)CNC2CCCC2 Amb17140109 [0,1,1,0,0,0|1,0,0]=3 613 B16R2.14780 CC1(CNCc2ccccc2)CCCC1 Amb24635477 [0,1,1,0,0,0|2,0,0]=4 614 B16R2.14780 NC1(CCOc2ccccc2)CCCC1 Amb17074927 [0,1,1,0,0,0|2,0,0]=4 615 B16R2.14780 NC1(CNCc2ccccc2)CCCC1 Amb18305298 [0,1,1,0,0,0|2,0,0]=4 616 B16R2.14780 OC1(CNCc2ccccc2)CCCC1 Amb18314736 [0,1,1,0,0,0|2,0,0]=4 617 B16R3.1738 OC1C2CC=CC2C1c3ccccc3 Amb25748849 [0,1,0,0,1,0|0,0,2]=4 618 B16R3.2048 Clc1ccc(cc1)C2CC3CNCC32 Amb24440721 [0,1,0,0,1,0|1,0,0]=3 619 B16R3.2048 Fc1ccc(cc1)[C@H]2C[C@@H]3CNC[C@@H]32 Amb24563822 [0,1,0,0,1,0|1,0,0]=3 620 B16R3.2048 Fc1ccc(cc1)[C@H]2C[C@H]3CNC[C@H]32 Amb25201525 [0,1,0,0,1,0|1,0,0]=3 621 B16R3.2064 Clc1cc(ccc1)C2CC3CNCC32 Amb25737533 [0,1,0,0,1,0|1,0,0]=3 622 B16R3.2253 CC12CNCC1C(C2)c3ccccc3 Amb24374651 [0,1,0,0,1,0|1,0,0]=3 623 B16R3.2253 C[C@@]12CNC[C@@H]1[C@H](C2)c3ccccc3 Amb24739452 [0,1,0,0,1,0|1,0,0]=3 624 B16R3.2253 C[C@]12CNC[C@H]1[C@@H](C2)c3ccccc3 Amb25273928 [0,1,0,0,1,0|1,0,0]=3 625 B18R3.4253 CN1CC2C(CNC2CC1)c3ccccc3 Amb18770082 [0,1,0,0,0,1|0,0,0]=2 626 B18R3.5897 O=C1CCC[C@@H]2OC[C@H](c3ccccc3)N12 Amb23437921 [0,1,0,0,0,1|2,0,0]=4 627 B18R3.171 NC1CC2CCCN2CC1c3ccccc3 Amb18171965 [0,1,0,0,0,1|2,0,0]=4 628 B18R3.3140 Cc1ccccc1C2CNC[C@@H]3CCCN32 Amb18171970 [0,1,0,0,0,1|1,0,0]=3 629 B18R3.3140 Cc1ccccc1N2CCNC3CCCC23 Amb23559060 [0,1,0,0,0,1|1,0,0]=3 630 B18R3.3140 Clc1ccccc1C2CNCC3CCCN32 Amb18736379 [0,1,0,0,0,1|1,0,0]=3 631 B18R3.3140 Fc1ccccc1N2CCNC3CCCC23 Amb23559070 [0,1,0,0,0,1|1,0,0]=3 632 B18R3.3140 Oc1ccccc1C2CNC[C@@H]3CCCN32 Amb18768839 [0,1,0,0,0,1|1,0,0]=3 633 B18R3.8788 Cc1ccc(cc1)C2CNC[C@@H]3CCCN32 Amb18171973 [0,1,0,0,0,1|1,0,0]=3 634 B18R3.8788 Cc1ccc(cc1)N2CCNC3CCCC23 Amb23559062 [0,1,0,0,0,1|1,0,0]=3 635 B18R3.8788 Clc1ccc(cc1)C2CNC[C@@H]3CCCN32 Amb18736381 [0,1,0,0,0,1|1,0,0]=3 636 B18R3.8788 Fc1ccc(cc1)N2CCNC3CCCC23 Amb23559065 [0,1,0,0,0,1|1,0,0]=3 637 B18R3.8788 Oc1ccc(cc1)C2CNC[C@@H]3CCCN32 Amb18768836 [0,1,0,0,0,1|1,0,0]=3 638 B18R3.31674 Cc1cc(ccc1)C2CNC[C@@H]3CCCN32 Amb18171976 [0,1,0,0,0,1|1,0,0]=3 639 B18R3.31674 Cc1cc(ccc1)N2CCNC3CCCC23 Amb23559061 [0,1,0,0,0,1|1,0,0]=3 640 B18R3.31674 Clc1cc(ccc1)C2CNC[C@@H]3CCCN32 Amb18736380 [0,1,0,0,0,1|1,0,0]=3 641 B18R3.31674 Oc1cc(ccc1)C2CNC[C@@H]3CCCN32 Amb18768837 [0,1,0,0,0,1|1,0,0]=3 642 B18R3.79 COc1ccc(cc1)C2CNC3CCCC23 Amb20019735 [0,2,0,0,0,0|0,0,0]=2 643 B18R3.788130 C[C@]12CCC[C@H]1C(=O)O[C@@H]2c3ccccc3 Amb24079767 [0,2,0,0,0,0|2,0,0]=4 644 B18R3.1545 N#CC1CCC2OCC(c3ccccc3)N21 Amb23536216 [0,2,0,0,0,0|2,0,0]=4 645 B14R1.38 CCCCNCC(c1ccccc1)C Amb2119259 [0,0,2,0,0,0|0,0,0]=2 646 B14R1.38 CCCNCCC(C)c1ccccc1 Amb19073616 [0,0,2,0,0,0|2,0,0]=4 647 B14R1.38 CCCNCCC(C)c1ccccc1 Amb19890572 [0,0,2,0,0,0|2,0,0]=4 648 B14R1.38 NCCCCCC(c1ccccn1)N Amb10606958 [0,0,2,0,0,0|2,0,0]=4 649 B14R1.38 NCCCCCC(c1cccnc1)N Amb10606957 [0,0,2,0,0,0|2,0,0]=4 650 B14R1.38 NCCCCCC(c1ccncc1)N Amb10606956 [0,0,2,0,0,0|2,0,0]=4 651 B14R1.38 NCCCCSC(c1ccccc1)C Amb17500945 [0,0,2,0,0,0|1,0,0]=3 652 B14R1.38 OCCCCCN(c1ccccc1)C Amb17336713 [0,0,2,0,0,0|2,0,0]=4 653 B14R1.520 CC(CCN)NCCc1ccccc1 Amb20090493 [0,0,2,0,0,0|1,0,0]=3 654 B14R1.979 CCCC(C#Cc1ccccc1)NC Amb24339464 [0,0,2,0,0,0|0,0,2]=4 655 B14R1.979 CCCC(CC)NCc1ccccc1 Amb19078698 [0,0,2,0,0,0|2,0,0]=4 656 B14R1.979 CN[C@H](CNc1ccccc1)CCO Amb24079762 [0,0,2,0,0,0|2,0,0]=4 657 B14R1.123 CCCCCCCCc1c[n]ccc1 Amb22235254 [0,0,2,0,0,0|2,0,0]=4 658 B14R1.123 CCCCCCCCc1cccc[n]1 Amb22235250 [0,0,2,0,0,0|2,0,0]=4 659 B14R1.123 CCCCCCCCc1ccncc1 Amb10553162 [0,0,2,0,0,0|2,0,0]=4 660 B14R1.123 CCCCCNCCc1ccccc1 Amb2119505 [0,0,2,0,0,0|0,0,0]=2 661 B14R1.123 CCCCNCCCc1ccccc1 Amb10559435 [0,0,2,0,0,0|2,0,0]=4 662 B14R1.123 CCNCCNCCc1ccccc1 Amb20140447 [0,0,2,0,0,0|1,0,0]=3 663 B14R1.123 CCSCCNOCc1ccccc1 Amb25354069 [0,0,2,0,0,0|2,0,0]=4 664 B14R1.123 CNCCCCNCc1ccccc1 Amb19050856 [0,0,2,0,0,0|1,0,0]=3 665 B14R1.123 CNCCCCOCc1ccccc1 Amb19062004 [0,0,2,0,0,0|1,0,0]=3 666 B14R1.123 CNCCCNCCc1ccccc1 Amb2120498 [0,0,2,0,0,0|1,0,0]=3 667 B14R1.123 CNCCOCOCc1ccccc1 Amb24337542 [0,0,2,0,0,0|2,0,0]=4 668 B14R1.123 COCCCCNCc1ccccc1 Amb10610303 [0,0,2,0,0,0|2,0,0]=4 669 B14R1.123 CSCCCNOCc1ccccc1 Amb24675717 [0,0,2,0,0,0|2,0,0]=4 670 B14R1.123 ClCCCCCCCc1ccccc1 Amb10807878 [0,0,2,0,0,0|2,0,0]=4 671 B14R1.123 NCCCCNOCc1ccccc1 Amb24707828 [0,0,2,0,0,0|2,0,0]=4 672 B14R1.123 OCCCCCCCc1ccccc1 Amb10807513 [0,0,2,0,0,0|2,0,0]=4 673 B14R1.123 OCCCCNOCc1ccccc1 Amb25037681 [0,0,2,0,0,0|2,0,0]=4 674 B14R1.494 CCNC(COC)Cc1ccccc1 Amb19051272 [0,0,2,0,0,0|2,0,0]=4 675 B14R1.391 CCN(CC)C(CN)c1ccccc1 Amb22283944 [0,0,2,0,0,0|1,0,0]=3 676 B14R1.391 NCC(c1ccccc1)N(CC)CC Amb1091204 [0,0,2,0,0,0|1,0,0]=3 677 B14R1.391 NCC(c1ccncc1)N(CC)CC Amb17143135 [0,0,2,0,0,0|2,0,0]=4 678 B14R1.546 CCC(CC)NCCc1ccccc1 Amb22587067 [0,0,2,0,0,0|0,0,0]=2 679 B14R1.546 CCC(CC)NOCc1ccccc1 Amb25263226 [0,0,2,0,0,0|1,0,0]=3 680 B14R1.546 CCC(NCCc1ccccc1)CO Amb2119341 [0,0,2,0,0,0|1,0,0]=3 681 B16R3.1791 C1NC(=CC1c2ccccc2)C3CC3 Amb25815065 [0,0,1,1,0,0|0,0,2]=4 682 B16R3.2271 O[C@H]1C[C@@H]2C[C@H]1[C@H](C2)c3ccccc3 Amb24577381 [0,0,1,1,0,0|2,0,0]=4 683 B16R3.2271 O[C@H]1C[C@H]2C[C@@H]1[C@H](C2)c3ccccc3 Amb25176670 [0,0,1,1,0,0|2,0,0]=4 684 B16R3.2279 O[C@@H]1C[C@@H]2CC[C@]1(C2)c3ccccc3 Amb25176301 [0,0,1,1,0,0|2,0,0]=4 685 B16R3.2279 O[C@H]1C[C@H]2CC[C@@]1(C2)c3ccccc3 Amb25369303 [0,0,1,1,0,0|2,0,0]=4 686 B16R3.5988 C1C(NC2CCCN21)c3ccccc3 Amb25321911 [0,0,1,1,0,0|1,0,0]=3 687 B16R3.5988 C1C(N[C@@H]2CCCN21)c3ccccc3 Amb25686056 [0,0,1,1,0,0|1,0,0]=3 688 B16R3.10113 OCCC12CC(CC1)c3ccccc23 Amb24475078 [0,0,1,1,0,0|2,0,0]=4 689 B16R3.62912 C1NC2(CC1CCC2)c3ccccc3 Amb25779301 [0,0,1,1,0,0|2,0,0]=4 690 B16R3.62912 C1N[C@]2(C[C@@H]1CCC2)c3ccccc3 Amb24589239 [0,0,1,1,0,0|2,0,0]=4 691 B16R3.1787 C1CC1C2CCNC2c3ccccc3 Amb19071057 [0,0,1,1,0,0|2,0,0]=4 692 B16R3.2958 OCCC1C2CCC1c3ccccc32 Amb24457768 [0,0,1,1,0,0|2,0,0]=4 693 B16R3.2958 OCC[C@@H]1[C@@H]2CC[C@H]1c3ccccc32 Amb24431779 [0,0,1,1,0,0|2,0,0]=4 694 B16R3.3283 OC1CC2CC1CC2c3ccccc3 Amb24592530 [0,0,1,1,0,0|2,0,0]=4 695 B16R3.3283 O[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2c3ccccc3 Amb25206719 [0,0,1,1,0,0|2,0,0]=4 696 B16R3.3555 ClC1CC2CCC1C2c3ccccc3 Amb25103292 [0,0,1,1,0,0|2,0,0]=4 697 B16R3.3555 Cl[C@H]1C[C@H]2CC[C@H]1C2c3ccccc3 Amb25237592 [0,0,1,1,0,0|2,0,0]=4 698 B16R3.3555 OC1CC2CCC1C2c3ccccc3 Amb25296185 [0,0,1,1,0,0|2,0,0]=4 699 B16R3.3555 OC1C[C@@H]2CC[C@H]1[C@@H]2c3ccccc3 Amb24584063 [0,0,1,1,0,0|2,0,0]=4 700 B16R3.5908 CNC1[C@H]2CNC[C@H]2c3ccccc31 Amb22220853 [0,0,1,1,0,0|1,0,0]=3 701 B16R3.5980 C1CCC2(CCNC21)c3ccccc3 Amb18649680 [0,0,1,1,0,0|2,0,0]=4 702 B16R3.5980 C1CC[N+]2(CCCC21)c3ccccc3 Amb22347561 [0,0,1,1,0,0|2,0,0]=4 703 B16R3.5980 C1NCC2(NOCC21)c3ccccc3 Amb25257500 [0,0,1,1,0,0|2,0,0]=4 704 B16R3.13490 CN1C[C@@H]2CNC[C@H]2c3ccccc13 Amb22184935 [0,0,1,1,0,0|1,0,0]=3 705 B16R3.27662 OC1CC2CCCC21c3ccccc3 Amb25204579 [0,0,1,1,0,0|2,0,0]=4 706 B16R3.2754 OC1C2CCCC2Cc3ccccc31 Amb25381489 [0,0,1,1,0,0|2,0,0]=4 707 B16R3.2754 OC1[C@@H]2CCC[C@H]2Cc3ccccc31 Amb24581727 [0,0,1,1,0,0|2,0,0]=4 708 B16R3.2754 O[C@H]1[C@@H]2CCC[C@@H]2Cc3ccccc31 Amb25261917 [0,0,1,1,0,0|2,0,0]=4 709 B16R3.5567 CN[C@@]12CCC[C@@H]1Cc3ccccc23 Amb24756611 [0,0,1,1,0,0|0,0,0]=2 710 B16R3.5567 CSC12CCCC1Nc3ccccc23 Amb25770504 [0,0,1,1,0,0|2,0,0]=4 711 B16R3.5972 C(c1ccccc1)N2CCCC23CC3 Amb24473079 [0,0,1,1,0,0|2,0,0]=4 712 B16R3.6015 C1NC2CCC1C2Oc3cccc[n]3 Amb22173355 [0,0,1,1,0,0|2,0,0]=4 713 B16R3.6018 C1C(Nc2ccccc2)C3CC1CC3 Amb19046676 [0,0,1,1,0,0|2,0,0]=4 714 B16R3.6018 C1C(Nc2ccccc2)[C@@H]3C[C@H]1CC3 Amb24570063 [0,0,1,1,0,0|2,0,0]=4 715 B16R3.6018 C1C2CCC1C(Cc3ccccc3)N2 Amb18821343 [0,0,1,1,0,0|2,0,0]=4 716 B16R3.6152 C1NC2CCCN2Cc3ccccc31 Amb25856918 [0,0,1,1,0,0|1,0,0]=3 717 B16R3.62908 C1NCC2(Cc3ccccc3)CCC21 Amb24742663 [0,0,1,1,0,0|2,0,0]=4 718 B16R3.8 C1NC(C2CCCC2)c3ccccc31 Amb25768816 [0,0,1,1,0,0|2,0,0]=4 719 B16R3.1739 ClC1C(C2CC1CC2)c3ccccc3 Amb25309614 [0,0,1,1,0,0|1,0,0]=3 720 B16R3.1739 NC1C(C2CC1CC2)c3ccccc3 Amb22731668 [0,0,1,1,0,0|0,0,0]=2 721 B16R3.1739 NC1C2CC(C=C2)C1c3ccccc3 Amb22446451 [0,0,1,1,0,0|0,0,2]=4 722 B16R3.1739 NC1C2CC(C=C2)C1c3ccccc3 Amb24119072 [0,0,1,1,0,0|0,0,2]=4 723 B16R3.1739 OC1C(C2CC1CC2)c3ccccc3 Amb24430075 [0,0,1,1,0,0|1,0,0]=3 724 B16R3.1739 O[C@@H]1[C@@H]([C@@H]2C[C@@H]1CC2)c3ccccc3 Amb25309503 [0,0,1,1,0,0|1,0,0]=3 725 B16R3.1739 O[C@@H]1[C@H]([C@@H]2C[C@H]1CC2)c3ccccc3 Amb25280136 [0,0,1,1,0,0|1,0,0]=3 726 B16R3.1739 O[C@H]1[C@@H]([C@@H]2C[C@@H]1CC2)c3ccccc3 Amb25296407 [0,0,1,1,0,0|1,0,0]=3 727 B16R3.1739 O[C@H]1[C@H]([C@@H]2C[C@@H]1CC2)c3ccccc3 Amb25176654 [0,0,1,1,0,0|1,0,0]=3 728 B16R3.1739 O[C@H]1[C@H]([C@@H]2C[C@H]1CC2)c3ccccc3 Amb24698668 [0,0,1,1,0,0|1,0,0]=3 729 B16R3.5992 C1CCC(N1)C2(CC2)c3ccccc3 Amb19046678 [0,0,1,1,0,0|2,0,0]=4 730 B16R3.5992 C1NCCC1C2(CC2)c3ccccc3 Amb25736355 [0,0,1,1,0,0|2,0,0]=4 731 B16R3.2169 OC1CCCC12OC2c3ccccc3 Amb25763925 [0,0,1,1,0,0|2,0,0]=4 732 B16R3.2753 NC1C2CCC1c3ccccc3C2O Amb24391594 [0,0,1,1,0,0|1,0,0]=3 733 B16R3.5224 OC1C2CCC1CC2c3ccccc3 Amb25802089 [0,0,1,1,0,0|1,0,0]=3 734 B16R3.1783 C1[C@@H]([C@@H]2CNCC[C@@H]21)c3ccccc3 Amb25301775 [0,0,1,1,0,0|2,0,0]=4 735 B16R3.5983 C1NC2(CCCCC21)c3ccccc3 Amb20668951 [0,0,1,1,0,0|2,0,0]=4 736 B16R3.1777 C1C(CC2CNCC2)c3ccccc31 Amb25769263 [0,0,1,1,0,0|2,0,0]=4 737 B16R3.1777 C1C(CN2CCCC2)c3ccccc31 Amb25696964 [0,0,1,1,0,0|2,0,0]=4 738 B16R3.1777 C1C(NC2CCCC2)c3ccccc31 Amb25051048 [0,0,1,1,0,0|0,0,0]=2 739 B16R3.1777 C1C(NC2COCC2)c3ccccc31 Amb24686098 [0,0,1,1,0,0|1,0,0]=3 740 B16R3.1782 C1C(C2CCCN2)C1c3ccccc3 Amb25285977 [0,0,1,1,0,0|2,0,0]=4 741 B16R3.1782 C1NCCC1C2CC2c3ccccc3 Amb25124780 [0,0,1,1,0,0|2,0,0]=4 742 B16R3.1785 C(NC1C2CCCC21)c3ccccc3 Amb24543934 [0,0,1,1,0,0|2,0,0]=4 743 B16R3.1785 C1NCC2C1C2CCc3ccccc3 Amb24739477 [0,0,1,1,0,0|2,0,0]=4 744 B16R3.1811 C1NCCC12CCCc3ccccc23 Amb19071040 [0,0,1,1,0,0|2,0,0]=4 745 B16R3.1811 C1NCCC12CCCc3ccccc23 Amb22490954 [0,0,1,1,0,0|2,0,0]=4 746 B16R3.19279 OC1C2CCC1(CC2)c3ccccc3 Amb25813645 [0,0,1,1,0,0|2,0,0]=4 747 B16R4.3629 C1C2C3CCC3C1c4ccccc42 Amb25690234 [0,0,0,1,1,0|1,0,0]=3 748 B16R4.3629 C1[C@@H]2[C@H]3CC[C@H]3[C@H]1c4ccccc42 Amb25293154 [0,0,0,1,1,0|1,0,0]=3 749 B14R2.35 CNCC1CCC1c2ccccc2 Amb25366827 [0,0,1,0,1,0|2,0,0]=4 750 B14R2.41 CCNC1CC(C1)c2cc[n]cc2 Amb24489505 [0,0,1,0,1,0|2,0,0]=4 751 B14R2.41 CCNC1CC(C1)c2cccc[n]2 Amb24489508 [0,0,1,0,1,0|2,0,0]=4 752 B14R2.41 NCCN1CC(C1)c2ccccc2 Amb25729394 [0,0,1,0,1,0|2,0,0]=4 753 B14R2.41 OCCN1CC(C1)c2ccccc2 Amb25337240 [0,0,1,0,1,0|2,0,0]=4 754 B14R2.78 CCC1CCC1Nc2ccccc2 Amb25686792 [0,0,1,0,1,0|2,0,0]=4 755 B14R2.78 CNC1CCN1Cc2ccccc2 Amb24743315 [0,0,1,0,1,0|1,0,0]=3 756 B14R2.78 CN[C@H]1CCN1Cc2ccccc2 Amb24496673 [0,0,1,0,1,0|1,0,0]=3 757 B14R2.83 CNC1CCCC1Cc2c[s]cc2 Amb18977603 [0,0,1,0,1,0|1,0,0]=3 758 B14R2.83 CNC1CCCC1Cc2ccc[s]2 Amb18977605 [0,0,1,0,1,0|1,0,0]=3 759 B14R2.83 CNC1CCCC1Cc2ccco2 Amb19001341 [0,0,1,0,1,0|1,0,0]=3 760 B14R2.83 CNC1CCCC1Sc2ccc[s]2 Amb24674705 [0,0,1,0,1,0|2,0,0]=4 761 B14R2.83 CNC1CSCC1Cc2c[s]cc2 Amb24380251 [0,0,1,0,1,0|2,0,0]=4 762 B14R2.83 CNC1CSCC1Cc2ccco2 Amb25293496 [0,0,1,0,1,0|2,0,0]=4 763 B14R2.1259 NCC(C1CCCC1)c2cc[nH]c2 Amb18065811 [0,0,1,0,1,0|1,0,0]=3 764 B14R2.1259 NCC(c1c[nH]cc1)N2CCCC2 Amb18065895 [0,0,1,0,1,0|2,0,0]=4 765 B14R2.1259 NCC(c1ccc[nH]1)N2CCCC2 Amb17142979 [0,0,1,0,1,0|2,0,0]=4 766 B14R2.1259 NCC(c1ccco1)C2CCCC2 Amb17087394 [0,0,1,0,1,0|1,0,0]=3 767 B14R2.1259 NCC(c1ccco1)N2CCCC2 Amb1102648 [0,0,1,0,1,0|2,0,0]=4 768 B14R2.1259 NCC(c1cccs1)C2CCCC2 Amb17087375 [0,0,1,0,1,0|1,0,0]=3 769 B14R2.1259 NCC(c1cscc1)N2CCCC2 Amb1131425 [0,0,1,0,1,0|2,0,0]=4 770 B14R2.1259 NNC(C1CCCC1)c2cc[s]c2 Amb25797148 [0,0,1,0,1,0|2,0,0]=4 771 B14R2.1259 NNC(C1CCCC1)c2ccc[s]2 Amb25819874 [0,0,1,0,1,0|2,0,0]=4 772 B14R2.1259 NNC(C1CCCC1)c2ccco2 Amb24678267 [0,0,1,0,1,0|2,0,0]=4 773 B14R2.2850 BrCC(C1CCC1)c2ccccc2 Amb25772200 [0,0,1,0,1,0|1,0,0]=3 774 B14R2.2850 CCC(c1ccccc1)N2CCC2 Amb24502838 [0,0,1,0,1,0|2,0,0]=4 775 B14R2.2850 CCN(C1CCC1)c2ccccc2 Amb25220488 [0,0,1,0,1,0|2,0,0]=4 776 B14R2.2850 ClCC(C1CCC1)c2ccccc2 Amb25224246 [0,0,1,0,1,0|1,0,0]=3 777 B14R2.2850 NCC(C1CCC1)c2c[n]ccc2 Amb25135124 [0,0,1,0,1,0|1,0,0]=3 778 B14R2.2850 NCC(C1CCC1)c2cc[n]cc2 Amb25801993 [0,0,1,0,1,0|1,0,0]=3 779 B14R2.2850 NCC(C1CCC1)c2cccc[n]2 Amb24659876 [0,0,1,0,1,0|1,0,0]=3 780 B14R2.2850 NCC(c1ccccc1)C2CCC2 Amb17087352 [0,0,1,0,1,0|0,0,0]=2 781 B14R2.2850 NCC(c1ccccc1)N2CCC2 Amb25293420 [0,0,1,0,1,0|1,0,0]=3 782 B14R2.2850 NNC(C1CCC1)c2cc[n]cc2 Amb25180285 [0,0,1,0,1,0|2,0,0]=4 783 B14R2.2850 NNC(C1CCC1)c2ccc[n]c2 Amb25157434 [0,0,1,0,1,0|2,0,0]=4 784 B14R2.2850 NNC(C1CCC1)c2ccccc2 Amb25777634 [0,0,1,0,1,0|1,0,0]=3 785 B14R2.2850 O=CC(C1CCC1)c2ccccc2 Amb25839748 [0,0,1,0,1,0|1,0,1]=4 786 B14R2.2850 OCC(C1CNC1)c2ccccc2 Amb25239037 [0,0,1,0,1,0|2,0,0]=4 787 B14R2.335 CN([C@H]1CC[C@H]1O)c2ccccc2 Amb24629202 [0,0,1,0,1,0|2,0,0]=4 788 B14R2.1253 C1CC(SCCN1)c2ccccc2 Amb22642283 [0,0,1,0,1,0|2,0,0]=4 789 B14R2.1253 C1CCCCCN1c2cc[n]cc2 Amb25153063 [0,0,1,0,1,0|2,0,0]=4 790 B14R2.1253 C1CCCN(CC1)c2ccccn2 Amb10819509 [0,0,1,0,1,0|2,0,0]=4 791 B14R2.1253 C1CCN(CCO1)c2ccccc2 Amb22750165 [0,0,1,0,1,0|2,0,0]=4 792 B14R2.1253 C1CCNC(CC1)c2ccccc2 Amb10609226 [0,0,1,0,1,0|0,0,0]=2 793 B14R2.1253 C1CCNC(CC1)c2ccccc2 Amb2234659 [0,0,1,0,1,0|0,0,0]=2 794 B14R2.1253 C1CCNC(CC1)c2ccccn2 Amb2234657 [0,0,1,0,1,0|1,0,0]=3 795 B14R2.1253 C1CCNC(CC1)c2ccncc2 Amb2234754 [0,0,1,0,1,0|1,0,0]=3 796 B14R2.1253 C1COCCC(N1)c2ccccc2 Amb22750167 [0,0,1,0,1,0|1,0,0]=3 797 B14R2.1253 C1NCCCCC1c2c[n]cc[n]2 Amb24563162 [0,0,1,0,1,0|2,0,0]=4 798 B14R2.1253 C1NCCCCC1c2cc[n]cc2 Amb25331889 [0,0,1,0,1,0|1,0,0]=3 799 B14R2.1253 C1NCCCCC1c2ccccc2 Amb21937009 [0,0,1,0,1,0|0,0,0]=2 800 B14R2.1253 C1NCCCOC1c2ccccc2 Amb20668525 [0,0,1,0,1,0|1,0,0]=3 801 B14R2.1253 C1NCCOCC1c2ccccc2 Amb18065703 [0,0,1,0,1,0|1,0,0]=3 802 B14R2.1253 C1NCCSCC1c2ccccc2 Amb25198560 [0,0,1,0,1,0|1,0,0]=3 803 B14R2.1253 C1SCCCNC1c2ccccc2 Amb25341704 [0,0,1,0,1,0|1,0,0]=3 804 B14R2.1253 N1CCCN(CC1)c2ccccc2 Amb10602474 [0,0,1,0,1,0|2,0,0]=4 805 B14R2.1253 N1CCCN(CC1)c2ccccc2 Amb13949071 [0,0,1,0,1,0|2,0,0]=4 806 B14R2.101 C(CN1CCCC1)c2ccccc2 Amb24064864 [0,0,1,0,1,0|1,0,0]=3 807 B14R2.101 C(Cc1ccccc1)C2SCCS2 Amb24472341 [0,0,1,0,1,0|2,0,0]=4 808 B14R2.101 C(NC1CCC=C1)c2ccccc2 Amb24441666 [0,0,1,0,1,0|0,0,2]=4 809 B14R2.101 C(NC1CCCC1)c2[n]ccc[n]2 Amb18995212 [0,0,1,0,1,0|2,0,0]=4 810 B14R2.101 C(NC1CCCC1)c2c[n][n]cc2 Amb25156423 [0,0,1,0,1,0|2,0,0]=4 811 B14R2.101 C(NC1CCCC1)c2c[n]c[n]c2 Amb18996445 [0,0,1,0,1,0|2,0,0]=4 812 B14R2.101 C(NC1CCCC1)c2c[n]cc[n]2 Amb18970754 [0,0,1,0,1,0|2,0,0]=4 813 B14R2.101 C(NC1CCCC1)c2c[n]ccc2 Amb21955473 [0,0,1,0,1,0|1,0,0]=3 814 B14R2.101 C(NC1CCCC1)c2cc[n]c[n]2 Amb18300828 [0,0,1,0,1,0|2,0,0]=4 815 B14R2.101 C(NC1COCC1)c2ccccc2 Amb22490250 [0,0,1,0,1,0|1,0,0]=3 816 B14R2.101 C(N[C@@H]1COCC1)c2ccccc2 Amb24553100 [0,0,1,0,1,0|1,0,0]=3 817 B14R2.101 C(N[C@H]1CCC=C1)c2ccccc2 Amb25775023 [0,0,1,0,1,0|0,0,2]=4 818 B14R2.101 C(N[C@H]1COCC1)c2ccccc2 Amb24741285 [0,0,1,0,1,0|1,0,0]=3 819 B14R2.101 C(Nc1c[n]ccc1)C2CCCC2 Amb22586407 [0,0,1,0,1,0|2,0,0]=4 820 B14R2.101 C(Nc1cc[n]cc1)C2CCCC2 Amb22586409 [0,0,1,0,1,0|2,0,0]=4 821 B14R2.101 C(Nc1cccc[n]1)C2CCCC2 Amb22586405 [0,0,1,0,1,0|2,0,0]=4 822 B14R2.101 C(Nc1ccccc1)C2CCCS2 Amb25704748 [0,0,1,0,1,0|2,0,0]=4 823 B14R2.101 C(Nc1ccccc1)[C@H]2CCCO2 Amb25682682 [0,0,1,0,1,0|2,0,0]=4 824 B14R2.101 C(OC1CCCC1)c2ccccc2 Amb21856199 [0,0,1,0,1,0|1,0,0]=3 825 B14R2.101 C(OC1CCCN1)c2ccccc2 Amb24710172 [0,0,1,0,1,0|2,0,0]=4 826 B14R2.101 C(OC1CCCO1)c2ccccc2 Amb22752558 [0,0,1,0,1,0|2,0,0]=4 827 B14R2.101 C(O[C@@H]1CCNC1)c2ccccc2 Amb17942800 [0,0,1,0,1,0|2,0,0]=4 828 B14R2.101 C(Oc1cc[n]cc1)C2CCCC2 Amb25137554 [0,0,1,0,1,0|2,0,0]=4 829 B14R2.101 C(Oc1ccccc1)C2CCCC2 Amb25323219 [0,0,1,0,1,0|1,0,0]=3 830 B14R2.101 C(Oc1ccccc1)C2CCCO2 Amb24065193 [0,0,1,0,1,0|2,0,0]=4 831 B14R2.101 C(Oc1ccccc1)[C@@H]2CCCN2 Amb22225505 [0,0,1,0,1,0|2,0,0]=4 832 B14R2.101 C(Oc1ccccc1)[C@H]2CCCN2 Amb24077505 [0,0,1,0,1,0|2,0,0]=4 833 B14R2.101 C(SC1CCCC1)c2cccc[n]2 Amb25051904 [0,0,1,0,1,0|2,0,0]=4 834 B14R2.101 C(SC1CCCO1)c2ccccc2 Amb24387395 [0,0,1,0,1,0|2,0,0]=4 835 B14R2.101 C(Sc1ccccc1)C2CCCN2 Amb18985019 [0,0,1,0,1,0|2,0,0]=4 836 B14R2.101 C(Sc1ccccc1)C2CCCO2 Amb17740935 [0,0,1,0,1,0|2,0,0]=4 837 B14R2.101 C(Sc1ccccc1)[C@@H]2CCCN2 Amb24740799 [0,0,1,0,1,0|2,0,0]=4 838 B14R2.101 C1CCC(C1)CNc2ccccc2 Amb17233131 [0,0,1,0,1,0|1,0,0]=3 839 B14R2.101 C1CCC(C1)CNc2ccccn2 Amb2382988 [0,0,1,0,1,0|2,0,0]=4 840 B14R2.101 C1CCC(C1)CNc2cccnc2 Amb2382998 [0,0,1,0,1,0|2,0,0]=4 841 B14R2.101 C1CCC(C1)CNc2ccncc2 Amb2383011 [0,0,1,0,1,0|2,0,0]=4 842 B14R2.101 C1CCC(C1)NCc2ccccc2 Amb1681062 [0,0,1,0,1,0|0,0,0]=2 843 B14R2.101 C1CCC(CCc2cccc[n]2)O1 Amb24080825 [0,0,1,0,1,0|2,0,0]=4 844 B14R2.101 C1CCN(C1)CCc2ccccc2 Amb10555331 [0,0,1,0,1,0|1,0,0]=3 845 B14R2.101 C1CCN(C1)CSc2ccccc2 Amb10553265 [0,0,1,0,1,0|2,0,0]=4 846 B14R2.101 C1CC[C@H](CCc2ccccc2)N1 Amb25105019 [0,0,1,0,1,0|1,0,0]=3 847 B14R2.101 C1CNC(C1)CCc2ccccc2 Amb10609225 [0,0,1,0,1,0|1,0,0]=3 848 B14R2.101 C1CNC(C1)CCc2cccnc2 Amb17400580 [0,0,1,0,1,0|2,0,0]=4 849 B14R2.101 C1CNC(C1)CNc2ccccc2 Amb17226586 [0,0,1,0,1,0|2,0,0]=4 850 B14R2.101 C1CNC(C1)CNc2ccccc2 Amb2236197 [0,0,1,0,1,0|2,0,0]=4 851 B14R2.101 C1CN[C@@H](C1)COc2ccccc2 Amb17051823 [0,0,1,0,1,0|2,0,0]=4 852 B14R2.101 C1CSC(CCc2ccccc2)N1 Amb18317778 [0,0,1,0,1,0|2,0,0]=4 853 B14R2.101 C1NCCC1CCc2cc[n]cc2 Amb25764128 [0,0,1,0,1,0|2,0,0]=4 854 B14R2.101 C1NCCC1CNc2ccccc2 Amb19001673 [0,0,1,0,1,0|2,0,0]=4 855 B14R2.101 C1NCCC1COc2ccccc2 Amb18296501 [0,0,1,0,1,0|2,0,0]=4 856 B14R2.101 C1NCCC1COc2ccccc2 Amb21955125 [0,0,1,0,1,0|2,0,0]=4 857 B14R2.101 C1NCCC1CSc2ccccc2 Amb18989013 [0,0,1,0,1,0|2,0,0]=4 858 B14R2.101 C1NCCC1NCc2c[n]ccc2 Amb22272076 [0,0,1,0,1,0|2,0,0]=4 859 B14R2.101 C1NCCC1NCc2c[n]ccc2 Amb24720153 [0,0,1,0,1,0|2,0,0]=4 860 B14R2.101 C1NCCC1NCc2cc[n]cc2 Amb22272077 [0,0,1,0,1,0|2,0,0]=4 861 B14R2.101 C1NCCC1NCc2cccc[n]2 Amb22272075 [0,0,1,0,1,0|2,0,0]=4 862 B14R2.101 C1NCCC1NCc2ccccc2 Amb22011484 [0,0,1,0,1,0|1,0,0]=3 863 B14R2.101 C1NCCC1OCc2ccccc2 Amb21955016 [0,0,1,0,1,0|2,0,0]=4 864 B14R2.101 C1NCCC1SCc2ccccc2 Amb18988567 [0,0,1,0,1,0|2,0,0]=4 865 B14R2.101 C1NCC[C@@H]1NCc2c[n]ccc2 Amb22271889 [0,0,1,0,1,0|2,0,0]=4 866 B14R2.101 C1NCC[C@@H]1NCc2c[n]ccc2 Amb24610102 [0,0,1,0,1,0|2,0,0]=4 867 B14R2.101 C1NCC[C@@H]1NCc2cc[n]cc2 Amb22272019 [0,0,1,0,1,0|2,0,0]=4 868 B14R2.101 C1NCC[C@@H]1NCc2cc[n]cc2 Amb25200030 [0,0,1,0,1,0|2,0,0]=4 869 B14R2.101 C1NCC[C@@H]1NCc2cccc[n]2 Amb22272018 [0,0,1,0,1,0|2,0,0]=4 870 B14R2.101 C1NCC[C@@H]1NCc2cccc[n]2 Amb24542893 [0,0,1,0,1,0|2,0,0]=4 871 B14R2.101 C1NCC[C@@H]1NCc2ccccc2 Amb24658526 [0,0,1,0,1,0|1,0,0]=3 872 B14R2.101 C1NCC[C@H]1NCc2c[n]ccc2 Amb22271775 [0,0,1,0,1,0|2,0,0]=4 873 B14R2.101 C1NCC[C@H]1NCc2cc[n]cc2 Amb22271866 [0,0,1,0,1,0|2,0,0]=4 874 B14R2.101 C1NCC[C@H]1NCc2cccc[n]2 Amb22271953 [0,0,1,0,1,0|2,0,0]=4 875 B14R2.101 C1NCC[C@H]1NCc2ccccc2 Amb25352414 [0,0,1,0,1,0|1,0,0]=3 876 B14R2.101 C1NC[C@@H](C1)OCc2ccccc2 Amb10844687 [0,0,1,0,1,0|2,0,0]=4 877 B14R2.101 C1OCCC1COc2ccccc2 Amb24605530 [0,0,1,0,1,0|2,0,0]=4 878 B14R2.101 c1ccc(cc1)CCC2=NCCC2 Amb17619263 [0,0,1,0,1,0|1,0,1]=4 879 B14R2.101 c1ccc(cc1)CNC2=NCCC2 Amb1419064 [0,0,1,0,1,0|1,0,1]=4 880 B14R2.322 C(Cc1c[nH]cc1)NC2CCCC2 Amb18224628 [0,0,1,0,1,0|1,0,0]=3 881 B14R2.322 C1CCC(C1)NCCc2nccs2 Amb17315497 [0,0,1,0,1,0|2,0,0]=4 882 B14R2.322 C1SCCC1NCCc2c[s]cc2 Amb19017088 [0,0,1,0,1,0|2,0,0]=4 883 B14R2.3019 C1CCC1CCNc2ccccc2 Amb24712237 [0,0,1,0,1,0|2,0,0]=4 884 B14R2.3019 C1CCC1CCOc2ccccc2 Amb23510297 [0,0,1,0,1,0|2,0,0]=4 885 B14R2.15 CCC1C(=O)NC1c2ccccc2 Amb2388317 [0,0,1,0,1,0|1,0,1]=4 886 B14R2.15 CCC1C(CC1N)c2cc[n]cc2 Amb25046070 [0,0,1,0,1,0|2,0,0]=4 887 B14R2.15 CCC1C(CC1N)c2cccc[n]2 Amb25035324 [0,0,1,0,1,0|2,0,0]=4 888 B14R2.15 CCC1C(CC1O)c2cc[n]cc2 Amb24489175 [0,0,1,0,1,0|2,0,0]=4 889 B14R2.15 CCC1C(CC1O)c2cccc[n]2 Amb24489176 [0,0,1,0,1,0|2,0,0]=4 890 B14R2.1134 CC1C(CC1c2c[n]ccc2)NC Amb24714990 [0,0,1,0,1,0|2,0,0]=4 891 B14R3.34 C1C(C2CNCC21)c3c[s]cc3 Amb24552381 [0,0,0,0,2,0|2,0,0]=4 892 B14R3.34 C1C(C2CNCC21)c3ccc[s]3 Amb24400624 [0,0,0,0,2,0|2,0,0]=4 893 B14R3.42 C1NC2CC(C21)c3ccccc3 Amb25253164 [0,0,0,0,2,0|1,0,0]=3 894 B14R3.2933 C1CN2N(C1)C2c3ccccc3 Amb1045219 [0,0,0,0,2,0|2,0,0]=4 895 B14R3.2933 C1NCC2C(C21)c3cc[n]cc3 Amb25831627 [0,0,0,0,2,0|2,0,0]=4 896 B14R3.2933 C1NCC2C(C21)c3cccc[n]3 Amb25097061 [0,0,0,0,2,0|2,0,0]=4 897 B14R3.2933 C1NCC2C(C21)c3ccccc3 Amb25725066 [0,0,0,0,2,0|1,0,0]=3 898 B14R3.2933 C1NCC2C1N2c3ccccc3 Amb24061708 [0,0,0,0,2,0|2,0,0]=4 899 B16R2.7 CCC[C@@H]1CC[C@H](CC1)c2ccccc2 Amb22231678 [0,0,1,0,0,1|1,0,0]=3 900 B16R2.7 CCOC1CCC(CC1)c2ccccc2 Amb24068553 [0,0,1,0,0,1|2,0,0]=4 901 B16R2.7 CCO[C@@H]1CC[C@@H](CC1)c2ccccc2 Amb24068795 [0,0,1,0,0,1|2,0,0]=4 902 B16R2.94 CCO[C@@H]1C[C@H](CC=C1)c2ccccc2 Amb24068903 [0,0,1,0,0,1|2,0,0]=4 903 B16R2.94 CCO[C@H]1C[C@H](CC=C1)c2ccccc2 Amb24068904 [0,0,1,0,0,1|2,0,0]=4 904 B16R2.98 CCCN1CCNCC1c2c[n]ccc2 Amb25400581 [0,0,1,0,0,1|2,0,0]=4 905 B16R2.98 CCCN1CCNCC1c2ccccc2 Amb17579065 [0,0,1,0,0,1|1,0,0]=3 906 B16R2.98 CNCC1CCCOC1c2ccccc2 Amb13951819 [0,0,1,0,0,1|2,0,0]=4 907 B16R2.23 BrCC1CCCC(Cc2ccccc2)O1 Amb24441740 [0,0,1,0,0,1|2,0,0]=4 908 B16R2.23 CNC1CN(Cc2c[n]ccc2)CCC1 Amb22293825 [0,0,1,0,0,1|2,0,0]=4 909 B16R2.23 CNC1CN(Cc2cc[n]cc2)CCC1 Amb22293828 [0,0,1,0,0,1|2,0,0]=4 910 B16R2.23 CNC1CN(Cc2cccc[n]2)CCC1 Amb22293824 [0,0,1,0,0,1|2,0,0]=4 911 B16R2.23 CNC1CN(Cc2ccccc2)CCC1 Amb25388938 [0,0,1,0,0,1|1,0,0]=3 912 B16R2.23 CNC1CN(Cc2ccccc2)CCO1 Amb24374010 [0,0,1,0,0,1|2,0,0]=4 913 B16R2.23 CN[C@@H]1CN(Cc2ccccc2)CCC1 Amb22224764 [0,0,1,0,0,1|1,0,0]=3 914 B16R2.23 CN[C@H]1CN(Cc2ccccc2)CCC1 Amb22224735 [0,0,1,0,0,1|1,0,0]=3 915 B16R2.23 CN[C@H]1CN(Cc2ccccc2)CCO1 Amb24388596 [0,0,1,0,0,1|2,0,0]=4 916 B16R2.23 ICC1CCCC(Cc2ccccc2)O1 Amb24721945 [0,0,1,0,0,1|2,0,0]=4 917 B16R2.23 NNC1CN(Cc2ccccc2)CCC1 Amb19373037 [0,0,1,0,0,1|2,0,0]=4 918 B16R2.23 ONC1CN(Cc2ccccc2)CCC1 Amb25074257 [0,0,1,0,0,1|2,0,0]=4 919 B16R2.169 C#C[C@@H]1CCC[C@@H]1NCc2ccccc2 Amb24519322 [0,0,1,0,0,1|1,0,1]=4 920 B16R2.169 C#C[C@H]1CCC[C@H]1NCc2ccccc2 Amb25275596 [0,0,1,0,0,1|1,0,1]=4 921 B16R2.169 COC1CNCC1OCc2ccccc2 Amb25084626 [0,0,1,0,0,1|2,0,0]=4 922 B16R2.169 CSC1CCCC1NCc2ccccc2 Amb24726012 [0,0,1,0,0,1|1,0,0]=3 923 B16R2.169 N#CC1CCCC1NCc2ccccc2 Amb19000614 [0,0,1,0,0,1|2,0,0]=4 924 B16R2.169 OC[C@@H]1CCC[C@@H]1NCc2ccccc2 Amb25114892 [0,0,1,0,0,1|2,0,0]=4 925 B16R2.172 CCC1CCCCN1Cc2ccccc2 Amb21131626 [0,0,1,0,0,1|2,0,0]=4 926 B16R2.172 CCC1CNCCN1Cc2ccccc2 Amb10068432 [0,0,1,0,0,1|2,0,0]=4 927 B16R2.172 CNC1COCCN1Cc2ccccc2 Amb24698390 [0,0,1,0,0,1|1,0,0]=3 928 B16R2.172 NC[C@@H]1CCCN[C@H]1Cc2ccccc2 Amb18176660 [0,0,1,0,0,1|2,0,0]=4 929 B16R2.101 BrCC(Nc1cc[n]cc1)C2CCCC2 Amb25298651 [0,0,1,0,0,1|2,0,0]=4 930 B16R2.101 BrCC(Nc1cccc[n]1)C2CCCC2 Amb25360164 [0,0,1,0,0,1|2,0,0]=4 931 B16R2.101 NCC(N1CCCC1)Cc2ccccc2 Amb1129117 [0,0,1,0,0,1|1,0,0]=3 932 B16R2.101 NCC(N1CCCC1)Cc2cccnc2 Amb17238605 [0,0,1,0,0,1|2,0,0]=4 933 B16R2.101 NCC(Nc1[n]ccc[n]1)C2CCCC2 Amb24774201 [0,0,1,0,0,1|2,0,0]=4 934 B16R2.101 NCC(Nc1c[n]cc[n]1)C2CCCC2 Amb24774204 [0,0,1,0,0,1|2,0,0]=4 935 B16R2.101 NCC(Nc1cccc[n]1)C2CCCC2 Amb24774196 [0,0,1,0,0,1|1,0,0]=3 936 B16R2.187 BrCC(c1ccccc1)C2CCCCC2 Amb17272603 [0,0,1,0,0,1|1,0,0]=3 937 B16R2.187 CCC(c1ccccc1)N2CCCCC2 Amb10564324 [0,0,1,0,0,1|2,0,0]=4 938 B16R2.187 CCC(c1ccccc1)N2CCCCC2 Amb24063853 [0,0,1,0,0,1|2,0,0]=4 939 B16R2.187 CCC(c1ccccc1)N2CCNCC2 Amb17061040 [0,0,1,0,0,1|2,0,0]=4 940 B16R2.187 CCC(c1ccccc1)N2CCOCC2 Amb10559446 [0,0,1,0,0,1|2,0,0]=4 941 B16R2.187 CCC(c1ccccc1)N2CCSCC2 Amb11202772 [0,0,1,0,0,1|2,0,0]=4 942 B16R2.187 COC(C1CNCCC1)c2ccccc2 Amb23536649 [0,0,1,0,0,1|2,0,0]=4 943 B16R2.187 ClCC(c1ccccc1)C2CCCCC2 Amb17245936 [0,0,1,0,0,1|1,0,0]=3 944 B16R2.187 ClCC(c1ccccc1)N2CCCCC2 Amb17246409 [0,0,1,0,0,1|2,0,0]=4 945 B16R2.187 N#CC(C1CCCCN1)c2ccccc2 Amb19148145 [0,0,1,0,0,1|0,0,2]=4 946 B16R2.187 N#CC(C1CCCCN1)c2ccccc2 Amb22056057 [0,0,1,0,0,1|0,0,2]=4 947 B16R2.187 N#CC(C1CCCCN1)c2ccccc2 Amb22436472 [0,0,1,0,0,1|0,0,2]=4 948 B16R2.187 N#CC(C1CCNCC1)c2ccccc2 Amb22481860 [0,0,1,0,0,1|0,0,2]=4 949 B16R2.187 N#CC(c1ccccc1)C2CCCCC2 Amb2444421 [0,0,1,0,0,1|0,0,2]=4 950 B16R2.187 N#CC(c1ccccc1)C2CCNCC2 Amb16227170 [0,0,1,0,0,1|0,0,2]=4 951 B16R2.187 NCC(c1ccccc1)C2CCCCC2 Amb1080857 [0,0,1,0,0,1|0,0,0]=2 952 B16R2.187 NCC(c1ccccc1)N2CCCCC2 Amb13948989 [0,0,1,0,0,1|1,0,0]=3 953 B16R2.187 NCC(c1ccccc1)N2CCNCC2 Amb17238607 [0,0,1,0,0,1|1,0,0]=3 954 B16R2.187 NCC(c1ccccc1)N2CCOCC2 Amb10576301 [0,0,1,0,0,1|1,0,0]=3 955 B16R2.187 NCC(c1ccccc1)N2CCOCC2 Amb1080928 [0,0,1,0,0,1|1,0,0]=3 956 B16R2.187 NCC(c1ccccn1)N2CCOCC2 Amb1102765 [0,0,1,0,0,1|2,0,0]=4 957 B16R2.187 NCC(c1cccnc1)N2CCCCC2 Amb1128109 [0,0,1,0,0,1|2,0,0]=4 958 B16R2.187 NCC(c1cccnc1)N2CCNCC2 Amb17239065 [0,0,1,0,0,1|2,0,0]=4 959 B16R2.187 NCC(c1cccnc1)N2CCOCC2 Amb1398863 [0,0,1,0,0,1|2,0,0]=4 960 B16R2.187 NCC(c1ccncc1)N2CCCCC2 Amb17143335 [0,0,1,0,0,1|2,0,0]=4 961 B16R2.187 NCC(c1ccncc1)N2CCOCC2 Amb10608546 [0,0,1,0,0,1|2,0,0]=4 962 B16R2.187 OCC(c1ccccc1)N2CCCCC2 Amb17238471 [0,0,1,0,0,1|2,0,0]=4 963 B16R2.187 OCC(c1ccccc1)N2CCNCC2 Amb17239012 [0,0,1,0,0,1|2,0,0]=4 964 B16R2.187 OCC(c1ccccc1)N2CCOCC2 Amb23442753 [0,0,1,0,0,1|2,0,0]=4 965 B16R2.685 CCN(c1ccccc1)CC2CCCC2 Amb17237847 [0,0,1,0,0,1|2,0,0]=4 966 B16R2.685 N#CC(c1ccccc1)NC2CCCC2 Amb17043550 [0,0,1,0,0,1|0,0,2]=4 967 B16R2.685 NCC(NN1CCCC1)c2ccccc2 Amb18065029 [0,0,1,0,0,1|1,0,0]=3 968 B16R2.685 OCC(CN1CCCC1)c2ccccc2 Amb19888433 [0,0,1,0,0,1|2,0,0]=4 969 B16R2.236 CC(c1ccc[n]c1)N2CC(N)CCC2 Amb24770755 [0,0,1,0,0,1|2,0,0]=4 970 B16R2.236 CC(c1cccc[n]1)N2CC(N)CCC2 Amb22272618 [0,0,1,0,0,1|2,0,0]=4 971 B16R2.236 CC(c1ccccc1)N2CC(N)CCC2 Amb24770751 [0,0,1,0,0,1|1,0,0]=3 972 B16R2.236 CC(c1ccccc1)N2C[C@H](N)CCC2 Amb24773329 [0,0,1,0,0,1|1,0,0]=3 973 B16R2.236 CC1CC(CCC1)C(Cl)c2ccccc2 Amb25359643 [0,0,1,0,0,1|2,0,0]=4 974 B16R2.236 CC1CN(CCC1)C(C)c2ccccc2 Amb20750737 [0,0,1,0,0,1|2,0,0]=4 975 B16R2.236 NC1CC(CCC1)C(=O)c2ccccc2 Amb24550402 [0,0,1,0,0,1|1,0,1]=4 976 B16R2.3005 CC1CCCC1C(Br)Cc2ccccc2 Amb25206007 [0,0,1,0,0,1|2,0,0]=4 977 B16R2.3005 CN(C1CCCC1N)Cc2ccccc2 Amb17490051 [0,0,1,0,0,1|1,0,0]=3 978 B16R2.3005 CN(Cc1ccccc1)C2CCCC2O Amb25750906 [0,0,1,0,0,1|2,0,0]=4 979 B16R2.3005 CN(Cc1ccccc1)[C@@H]2CCC[C@H]2O Amb25244869 [0,0,1,0,0,1|2,0,0]=4 980 B16R2.3005 CN(Cc1ccccc1)[C@H]2CCC[C@@H]2N Amb24560974 [0,0,1,0,0,1|1,0,0]=3 981 B16R2.3005 NC1CCCC1C(=O)Cc2ccccc2 Amb24578691 [0,0,1,0,0,1|1,0,1]=4 982 B16R2.3014 CC(CC1CCCC1=O)c2ccccc2 Amb24608527 [0,0,1,0,0,1|1,0,1]=4 983 B16R2.3014 CC(CC1CCCC1Br)c2ccccc2 Amb24578201 [0,0,1,0,0,1|1,0,0]=3 984 B16R2.3014 CC(CC1CCCC1Cl)c2ccccc2 Amb25347289 [0,0,1,0,0,1|1,0,0]=3 985 B16R2.3014 CC(NC1CCCC1N)c2ccccc2 Amb23559230 [0,0,1,0,0,1|0,0,0]=2 986 B16R2.3014 CC(OC1CCCC1I)c2ccccc2 Amb25757842 [0,0,1,0,0,1|1,0,0]=3 987 B16R2.3014 CC(OC1COCC1Br)c2ccccc2 Amb25193840 [0,0,1,0,0,1|2,0,0]=4 988 B16R2.3014 O[C@@H]1CCC[C@H]1N[C@@H](c2ccccc2)C Amb10808534 [0,0,1,0,0,1|1,0,0]=3 989 B16R2.3896 CC(C1CNCCC1=O)c2ccccc2 Amb18785332 [0,0,1,0,0,1|1,0,1]=4 990 B16R2.3896 CC(C1NCCCC1O)c2ccccc2 Amb18782239 [0,0,1,0,0,1|1,0,0]=3 991 B16R2.3896 CC1CNCCN1C(c2ccccc2)C Amb17238260 [0,0,1,0,0,1|2,0,0]=4 992 B16R2.3896 NC1CCCCC1C(=O)c2ccccc2 Amb24728087 [0,0,1,0,0,1|1,0,1]=4 993 B16R2.2256 C(C#CC1CCNCC1)c2ccccc2 Amb23539059 [0,0,1,0,0,1|1,0,1]=4 994 B16R2.2256 C(CC1CCCCN1)Oc2ccccc2 Amb21955090 [0,0,1,0,0,1|2,0,0]=4 995 B16R2.2256 C(CCN1CCCCC1)c2ccccc2 Amb22461427 [0,0,1,0,0,1|2,0,0]=4 996 B16R2.2256 C(CCN1CCNCC1)c2ccccc2 Amb21953796 [0,0,1,0,0,1|2,0,0]=4 997 B16R2.2256 C(CCc1ccccc1)C2CCNCC2 Amb22754372 [0,0,1,0,0,1|1,0,0]=3 998 B16R2.2256 C(CNC=1NCCCN1)c2ccccc2 Amb25389588 [0,0,1,0,0,1|1,0,1]=4 999 B16R2.2256 C(Cc1cc[n]cc1)NC2CCCCC2 Amb19018580 [0,0,1,0,0,1|1,0,0]=3 1000 B16R2.2256 C(Cc1ccccc1)OC2CCCCC2 Amb22231386 [0,0,1,0,0,1|1,0,0]=3 1001 B16R2.2256 C(Cc1ccncc1)SC2CCCCC2 Amb17782413 [0,0,1,0,0,1|2,0,0]=4 1002 B16R2.2256 C(NCc1ccccc1)C2CCCCN2 Amb19009747 [0,0,1,0,0,1|2,0,0]=4 1003 B16R2.2256 C(NCc1ccccc1)C2COCCC2 Amb19008397 [0,0,1,0,0,1|2,0,0]=4 1004 B16R2.2256 C(NCc1ccccc1)[C@@H]2CCCCN2 Amb25118409 [0,0,1,0,0,1|2,0,0]=4 1005 B16R2.2256 C(NCc1ccccc1)[C@@H]2CNCCC2 Amb25047501 [0,0,1,0,0,1|2,0,0]=4 1006 B16R2.2256 C(OCc1ccccc1)C2CCNCC2 Amb21954838 [0,0,1,0,0,1|2,0,0]=4 1007 B16R2.2256 C(ONC1CCCC=C1)c2ccccc2 Amb25184534 [0,0,1,0,0,1|1,0,1]=4 1008 B16R2.2256 C(ONC1CCOCC1)c2ccccc2 Amb24726813 [0,0,1,0,0,1|1,0,0]=3 1009 B16R2.2256 C(ONC=1CCCCN1)c2ccccc2 Amb25085297 [0,0,1,0,0,1|1,0,1]=4 1010 B16R2.2256 C(SCc1ccccc1)C2CCCCN2 Amb22395623 [0,0,1,0,0,1|2,0,0]=4 1011 B16R2.2256 C(SCc1ccccc1)C2CCNCC2 Amb22395588 [0,0,1,0,0,1|2,0,0]=4 1012 B16R2.2256 C1CC(CCN1)NCCc2ccccc2 Amb19008317 [0,0,1,0,0,1|0,0,0]=2 1013 B16R2.2256 C1CC(CCOc2ccccc2)CCN1 Amb21955116 [0,0,1,0,0,1|2,0,0]=4 1014 B16R2.2256 C1CC(CCSc2ccccc2)CCN1 Amb22395689 [0,0,1,0,0,1|2,0,0]=4 1015 B16R2.2256 C1CCC(CC1)CNCc2ccccc2 Amb1832421 [0,0,1,0,0,1|2,0,0]=4 1016 B16R2.2256 C1CCC(CC1)NCCc2ccccc2 Amb2118405 [0,0,1,0,0,1|0,0,0]=2 1017 B16R2.2256 C1CCC(CN1)CNCc2ccccc2 Amb17238239 [0,0,1,0,0,1|2,0,0]=4 1018 B16R2.2256 C1CCC(CN1)COCc2ccccc2 Amb17061784 [0,0,1,0,0,1|2,0,0]=4 1019 B16R2.2256 C1CCC(NC1)CCCc2ccccc2 Amb2235003 [0,0,1,0,0,1|1,0,0]=3 1020 B16R2.2256 C1CCC(NC1)CCSc2ccccc2 Amb2574969 [0,0,1,0,0,1|2,0,0]=4 1021 B16R2.2256 C1CCC(NC1)COCc2ccccc2 Amb13886430 [0,0,1,0,0,1|2,0,0]=4 1022 B16R2.2256 C1CCC(NC1)COCc2ccccc2 Amb17061768 [0,0,1,0,0,1|2,0,0]=4 1023 B16R2.2256 C1CCCC(CCCc2ccccc2)N1 Amb17659199 [0,0,1,0,0,1|1,0,0]=3 1024 B16R2.2256 C1NCCCC1CCCc2ccccc2 Amb21959215 [0,0,1,0,0,1|1,0,0]=3 1025 B16R2.2256 C1NCCCC1CCOc2ccccc2 Amb19021002 [0,0,1,0,0,1|2,0,0]=4 1026 B16R2.2256 C1NCCCC1CCOc2ccccc2 Amb21955101 [0,0,1,0,0,1|2,0,0]=4 1027 B16R2.2256 C1NCCCC1COCc2ccccc2 Amb21954470 [0,0,1,0,0,1|2,0,0]=4 1028 B16R2.2256 C1NCCCC1CSCc2ccccc2 Amb22395604 [0,0,1,0,0,1|2,0,0]=4 1029 B16R2.2256 C1NCCCC1NCCc2cccc[n]2 Amb24771602 [0,0,1,0,0,1|1,0,0]=3 1030 B16R2.2256 C1NCCCC1NCCc2ccccc2 Amb24771603 [0,0,1,0,0,1|0,0,0]=2 1031 B16R2.2256 C1NCCCC1NOCc2ccccc2 Amb25315250 [0,0,1,0,0,1|1,0,0]=3 1032 B16R2.2256 N1CCC(CC1)CNCc2ccccc2 Amb1926957 [0,0,1,0,0,1|2,0,0]=4 1033 B16R2.2256 N1CCC(CC1)CNCc2ccccc2 Amb2114374 [0,0,1,0,0,1|2,0,0]=4 1034 B16R2.2256 N1CCC(CC1)OCCc2ccccc2 Amb13951333 [0,0,1,0,0,1|1,0,0]=3 1035 B16R2.2256 N1CCN(CC1)CCCc2ccccc2 Amb1110026 [0,0,1,0,0,1|2,0,0]=4 1036 B16R2.2256 O1CCN(CC1)CCCc2ccccc2 Amb11033428 [0,0,1,0,0,1|2,0,0]=4 1037 B16R2.2256 O1CCN(CC1)CCCc2ccccc2 Amb17600234 [0,0,1,0,0,1|2,0,0]=4 1038 B16R2.2256 c1ccc(cc1)CCCN2CC[NH2+]CC2 Amb16229335 [0,0,1,0,0,1|2,0,0]=4 1039 B16R2.2256 c1ccc(cc1)CCNC2=NCCCS2 Amb1103981 [0,0,1,0,0,1|1,0,1]=4 1040 B16R2.2257 C(CN1CCCC1)COc2ccccc2 Amb15703519 [0,0,1,0,0,1|2,0,0]=4 1041 B16R2.2257 C(NC1CSCC1)CNc2cccnc2 Amb17640139 [0,0,1,0,0,1|2,0,0]=4 1042 B16R2.2257 C(NCCC1CCCC1)c2ccccc2 Amb20091170 [0,0,1,0,0,1|1,0,0]=3 1043 B16R2.2257 C(NCCC1COCC1)c2ccccc2 Amb25033647 [0,0,1,0,0,1|2,0,0]=4 1044 B16R2.2257 C(NCCN1CCCC1)c2ccccc2 Amb19373466 [0,0,1,0,0,1|2,0,0]=4 1045 B16R2.2257 C(NOCc1ccccc1)C2CCCO2 Amb24552284 [0,0,1,0,0,1|2,0,0]=4 1046 B16R2.2257 C(NOCc1ccccc1)C2CSCC2 Amb25041933 [0,0,1,0,0,1|2,0,0]=4 1047 B16R2.2257 C(OC1CNCC1)OCc2ccccc2 Amb25260444 [0,0,1,0,0,1|2,0,0]=4 1048 B16R2.2257 C(OCC[C@H]1CCCO1)c2ccccc2 Amb25349752 [0,0,1,0,0,1|2,0,0]=4 1049 B16R2.2257 C(OCCc1ccccc1)C2CCCN2 Amb22499198 [0,0,1,0,0,1|2,0,0]=4 1050 B16R2.2257 C(ONCC1CCCN1)c2ccccc2 Amb24349438 [0,0,1,0,0,1|2,0,0]=4 1051 B16R2.2257 C1CCC(C1)NCC#Cc2ccccc2 Amb1923324 [0,0,1,0,0,1|0,0,1]=3 1052 B16R2.2257 C1CCC(C1)NCCOc2ccccc2 Amb15742120 [0,0,1,0,0,1|0,0,0]=2 1053 B16R2.2257 C1COC(C1)CNCCc2ccccc2 Amb2119360 [0,0,1,0,0,1|1,0,0]=3 1054 B16R2.2257 C1NCCC1CCCOc2ccccc2 Amb21959198 [0,0,1,0,0,1|2,0,0]=4 1055 B16R2.2257 C1NCCC1CCNCc2ccccc2 Amb24345182 [0,0,1,0,0,1|2,0,0]=4 1056 B16R2.2257 C1NCCC1CCOCc2ccccc2 Amb21959208 [0,0,1,0,0,1|2,0,0]=4 1057 B16R2.2257 C1NCCC1OCCCc2ccccc2 Amb20622676 [0,0,1,0,0,1|2,0,0]=4 1058 B16R2.2257 C1NCCC1OCCCc2ccccc2 Amb22059088 [0,0,1,0,0,1|2,0,0]=4 1059 B16R2.2257 C1NCCC1OCCOc2ccccc2 Amb21957509 [0,0,1,0,0,1|2,0,0]=4 1060 B16R2.2257 C1SCCC1NCCOc2ccccc2 Amb24771551 [0,0,1,0,0,1|1,0,0]=3 1061 B16R2.2321 CCC1CC(CCC1Br)c2ccccc2 Amb24718675 [0,0,1,0,0,1|2,0,0]=4 1062 B16R2.2321 CCC1CC(CCC1Cl)c2ccccc2 Amb25171044 [0,0,1,0,0,1|2,0,0]=4 1063 B16R2.24 CCC1CNCC(c2ccccc2)N1C Amb18783740 [0,0,1,0,0,1|1,0,0]=3 1064 B16R3.5924 C1NCC(c2ccc[s]2)N3CCCC31 Amb25060330 [0,0,0,0,1,1|2,0,0]=4 1065 B16R3.5924 C1NCC(c2ccc[s]2)N3CCC[C@@H]31 Amb18776493 [0,0,0,0,1,1|2,0,0]=4 1066 B16R3.5924 C1NCC(c2ccc[s]2)N3CCC[C@H]31 Amb25081534 [0,0,0,0,1,1|2,0,0]=4 1067 B16R3.5924 C1NCC(c2ccco2)N3CCC[C@@H]31 Amb18817033 [0,0,0,0,1,1|2,0,0]=4 1068 B18R3.2098 C(c1ccccc1)N2CCC3CCCNC23 Amb24380726 [0,0,0,0,0,2|2,0,0]=4 1069 B18R3.2098 C(c1ccccc1)N2CCC3CCNCC23 Amb25204609 [0,0,0,0,0,2|2,0,0]=4 1070 B18R3.2098 C(c1ccccc1)N2CC[C@@H]3CCNC[C@@H]23 Amb18770079 [0,0,0,0,0,2|2,0,0]=4 1071 B18R3.2098 C1NCC[C@@H]2[C@@H]1CCN2Cc3ccccc3 Amb18770080 [0,0,0,0,0,2|2,0,0]=4 1072 B18R3.2108 C1CCCN2CCNC(C21)c3ccccc3 Amb18770085 [0,0,0,0,0,2|2,0,0]=4 1073 B18R3.2108 C1CN(C2CCCCC2N1)c3ccccc3 Amb23559008 [0,0,0,0,0,2|1,0,0]=3 1074 B18R3.2108 C1NCC(c2c[n]ccc2)N3CCCCC31 Amb18769570 [0,0,0,0,0,2|2,0,0]=4 1075 B18R3.2108 C1NCC(c2cc[n]cc2)N3CCOCC31 Amb18168172 [0,0,0,0,0,2|2,0,0]=4 1076 B18R3.2108 C1NCC(c2cccc[n]2)N3CCCCC31 Amb18769573 [0,0,0,0,0,2|2,0,0]=4 1077 B18R3.2108 C1NCC(c2cccc[n]2)N3CCOCC31 Amb18767594 [0,0,0,0,0,2|2,0,0]=4 1078 B18R3.2108 C1NCC(c2ccccc2)N3CCCCC31 Amb18171975 [0,0,0,0,0,2|1,0,0]=3 1079 B18R3.2108 C1NCC(c2ccccc2)N3CCOCC31 Amb18768834 [0,0,0,0,0,2|1,0,0]=3 1080 B18R3.2108 C1NCC[C@@H]2C1OCCN2c3ccccc3 Amb22874840 [0,0,0,0,0,2|2,0,0]=4 1081 B18R3.2115 C(c1ccccc1)N2CCNC3CCCC23 Amb23559055 [0,0,0,0,0,2|1,0,0]=3 1082 B18R3.2115 C1NCC(Cc2ccccc2)N3CCC[C@@H]31 Amb18171978 [0,0,0,0,0,2|1,0,0]=3 1083 B18R3.12803 C1CCN2CCCNC(C21)c3ccccc3 Amb18770086 [0,0,0,0,0,2|2,0,0]=4 1084 B18R3.12803 C1NCCN2CCCC2C1c3c[n]ccc3 Amb18170402 [0,0,0,0,0,2|2,0,0]=4 1085 B18R3.12803 C1NCCN2CCCC2C1c3ccccc3 Amb18770091 [0,0,0,0,0,2|1,0,0]=3