0 B16R2.685 N#CC(Cc1ccco1)c2ccccc2 Amb6360699 [0,0,0,0,0,0|1,0,3]=4 1 B16R2.685 N#C\C(=C\c1cccs1)c2ccccc2 Amb2613470 [0,0,0,0,0,0|1,1,1]=3 2 B16R2.685 NCC(Cc1ccco1)c2ccccc2 Amb5733595 [0,0,0,0,0,0|1,0,3]=4 3 B16R2.685 O=CC(Cc1ccco1)c2ccccc2 Amb5749229 [0,0,0,0,0,0|0,0,2]=2 4 B16R2.685 O=CC(Cc1cccs1)c2ccccc2 Amb5749230 [0,0,0,0,0,0|0,1,2]=3 5 B16R2.685 O=C\C(=C\c1ccco1)c2ccccc2 Amb10807969 [0,0,0,0,0,0|0,0,0]=0 6 B16R2.685 O=C\C(=C\c1cccs1)c2ccccc2 Amb17340245 [0,0,0,0,0,0|0,1,0]=1 7 B16R2.685 OCC(Cc1ccco1)c2ccccc2 Amb5748450 [0,0,0,0,0,0|0,0,4]=4 8 B15R2.1259 NC(Cc1ccco1)c2ccccc2 Amb5736315 [1,0,0,0,0,0|1,0,2]=4 9 B15R2.1259 O=C(Cc1ccco1)c2ccncn2 Amb27667578 [1,0,0,0,0,0|2,0,1]=4 10 B15R2.1259 O=C(Cc1ccco1)c2ccnnc2 Amb27489203 [1,0,0,0,0,0|2,0,1]=4 11 B15R2.1259 O=C(Cc1ccco1)c2cnccn2 Amb27411747 [1,0,0,0,0,0|2,0,1]=4 12 B15R2.1259 O=C(Cc1ccns1)c2ccccc2 Amb35650094 [1,0,0,0,0,0|1,1,1]=4 13 B15R2.1259 O=C(Cc1nccs1)c2ccccc2 Amb27603054 [1,0,0,0,0,0|1,1,1]=4 14 B15R2.1259 O=C(Cn1cccn1)c2ccccc2 Amb2408353 [1,0,0,0,0,0|2,0,1]=4 15 B15R2.1259 O=C(NC1C=CCO1)c2ccccc2 Amb27236856 [1,0,0,0,0,0|1,0,2]=4 16 B15R2.1259 O=C(Nc1ccco1)c2ccccc2 Amb27182461 [1,0,0,0,0,0|1,0,0]=2 17 B15R2.1259 O=C(Nc1ccno1)c2ccccc2 Amb27201675 [1,0,0,0,0,0|2,0,0]=3 18 B15R2.1259 O=C(Nc1ccoc1)c2ccccc2 Amb27166058 [1,0,0,0,0,0|3,0,0]=4 19 B15R2.1259 O=C(Nc1ccon1)c2ccccc2 Amb2178596 [1,0,0,0,0,0|3,0,0]=4 20 B15R2.1259 O=C(Nc1nccs1)c2ccccc2 Amb6388843 [1,0,0,0,0,0|2,1,0]=4 21 B15R2.1259 O=C(Oc1ccco1)c2ccccc2 Amb19650959 [1,0,0,0,0,0|1,0,0]=2 22 B15R2.1259 O=C(\C=C1/CCCO1)c2ccccc2 Amb2698448 [1,0,0,0,0,0|0,0,3]=4 23 B15R2.1259 O=C(\C=C1\CCCO1)c2ccccc2 Amb25823730 [1,0,0,0,0,0|0,0,3]=4 24 B15R2.1259 O[C@H](Cc1ccco1)c2ccccc2 Amb27835176 [1,0,0,0,0,0|0,0,3]=4 25 B15R2.1259 [O-]\[N+](=C\c1ccco1)c2ccccc2 Amb1307076 [1,0,0,0,0,0|1,0,1]=3 26 B15R2.1259 [O-]\[N+](=C\c1cccs1)c2ccccc2 Amb2608891 [1,0,0,0,0,0|1,1,1]=4 27 B17R2.164 Cc1ccc(C(C=O)Cc2ccco2)cc1 Amb5749403 [0,1,0,0,0,0|0,0,2]=3 28 B17R2.164 Cc1ccc(C(C=O)Cc2cccs2)cc1 Amb5749404 [0,1,0,0,0,0|0,1,2]=4 29 B17R2.164 O=CC(Cc1ccco1)c2ccc(Cl)cc2 Amb5749480 [0,1,0,0,0,0|0,0,2]=3 30 B17R2.164 O=CC(Cc1ccco1)c2ccc(F)cc2 Amb5749316 [0,1,0,0,0,0|0,0,2]=3 31 B17R2.164 O=CC(Cc1cccs1)c2ccc(Cl)cc2 Amb5749481 [0,1,0,0,0,0|0,1,2]=4 32 B17R2.164 O=CC(Cc1cccs1)c2ccc(F)cc2 Amb5749317 [0,1,0,0,0,0|0,1,2]=4 33 B17R2.2192 O=C=NC(Cc1ccco1)c2ccccc2 Amb17140758 [0,1,0,0,0,0|0,0,3]=4 34 B17R2.2293 CCC(C(=O)c1ccco1)c2ccccc2 Amb2387004 [0,1,0,0,0,0|1,0,2]=4 35 B17R2.6046 Cc1cccc(C(C=O)Cc2ccco2)c1 Amb5749374 [0,1,0,0,0,0|0,0,2]=3 36 B17R2.6046 Cc1cccc(C(C=O)Cc2cccs2)c1 Amb5749375 [0,1,0,0,0,0|0,1,2]=4 37 B17R2.6046 O=CC(Cc1ccco1)c2cccc(Cl)c2 Amb5749456 [0,1,0,0,0,0|0,0,2]=3 38 B17R2.6046 O=CC(Cc1ccco1)c2cccc(F)c2 Amb5749287 [0,1,0,0,0,0|0,0,2]=3 39 B17R2.6046 O=CC(Cc1cccs1)c2cccc(Cl)c2 Amb5749457 [0,1,0,0,0,0|0,1,2]=4 40 B17R2.6046 O=CC(Cc1cccs1)c2cccc(F)c2 Amb5749288 [0,1,0,0,0,0|0,1,2]=4 41 B17R2.21294 O=C(O)C(Cc1ccco1)c2ccccc2 Amb5734007 [0,1,0,0,0,0|0,0,2]=3 42 B17R2.21294 O=C(O)C(Cc1ccco1)c2ccccn2 Amb17242499 [0,1,0,0,0,0|1,0,2]=4 43 B17R2.21294 O=C(O)C(Cc1cccs1)c2ccccc2 Amb1030869 [0,1,0,0,0,0|0,1,2]=4 44 B17R2.21294 O=C(O)\C(=C/c1ccco1)c2ccccc2 Amb31268237 [0,1,0,0,0,0|0,0,0]=1 45 B17R2.21294 O=C(O)\C(=C\c1ccco1)c2ccccc2 Amb3462610 [0,1,0,0,0,0|0,0,0]=1 46 B17R2.21294 O=C(O)\C(=C\c1ccco1)c2ccccn2 Amb17241888 [0,1,0,0,0,0|1,0,0]=2 47 B17R2.21294 O=C(O)\C(=C\c1cccs1)c2ccccc2 Amb3428052 [0,1,0,0,0,0|0,1,0]=2 48 B17R2.21294 O=C(O)\C(=C\c1cccs1)c2ccccn2 Amb17249428 [0,1,0,0,0,0|1,1,0]=3 49 B17R2.48520 Cc1ccccc1C(C=O)Cc2ccco2 Amb5749345 [0,1,0,0,0,0|0,0,2]=3 50 B17R2.48520 Cc1ccccc1C(C=O)Cc2cccs2 Amb5749346 [0,1,0,0,0,0|0,1,2]=4 51 B17R2.48520 O=CC(Cc1ccco1)c2ccccc2Cl Amb5749432 [0,1,0,0,0,0|0,0,2]=3 52 B17R2.48520 O=CC(Cc1ccco1)c2ccccc2F Amb5749258 [0,1,0,0,0,0|0,0,2]=3 53 B17R2.48520 O=CC(Cc1cccs1)c2ccccc2Cl Amb5749433 [0,1,0,0,0,0|0,1,2]=4 54 B17R2.48520 O=CC(Cc1cccs1)c2ccccc2F Amb5749259 [0,1,0,0,0,0|0,1,2]=4 55 B17R2.452056 CC(C=O)(Cc1ccco1)c2ccccc2 Amb5748859 [0,1,0,0,0,0|0,0,2]=3 56 B17R2.452056 CC(C=O)(Cc1cccs1)c2ccccc2 Amb5748860 [0,1,0,0,0,0|0,1,2]=4 57 B17R3.1941 c1ccc(-c2ccc3ccoc3c2)cc1 Amb26304408 [0,0,0,1,0,0|1,0,0]=2 58 B17R3.1941 c1ccc(-c2ccc3ocnc3c2)cc1 Amb3992089 [0,0,0,1,0,0|3,0,0]=4 59 B17R3.1941 c1ccc(-c2ccc3scnc3c2)cc1 Amb21963171 [0,0,0,1,0,0|3,0,0]=4 60 B17R3.1941 c1ccc(-c2ccn3ccnc3c2)cc1 Amb22736793 [0,0,0,1,0,0|3,0,0]=4 61 B15R2.131 NCC(c1ccccc1)c2ccco2 Amb17079191 [0,0,0,0,1,0|1,0,2]=4 62 B15R2.131 OCC(c1ccccc1)c2ccco2 Amb28401041 [0,0,0,0,1,0|0,0,3]=4 63 B15R2.131 O\N=C(/c1ccccc1)c2ccco2 Amb4012114 [0,0,0,0,1,0|1,0,1]=3 64 B15R2.1330 O=CC(Cc1ccco1)c2cccs2 Amb5749200 [0,0,0,0,1,0|1,0,2]=4 65 B17R2.162 N#C\C(=C\c1ccccc1)c2ccccc2 Amb2721080 [0,0,0,0,0,1|2,0,1]=4 66 B17R2.162 N#C\C(=C\c1cccnc1)c2ccccc2 Amb2613475 [0,0,0,0,0,1|2,0,1]=4 67 B17R2.162 O=CC(Cc1ccccc1)c2ccccc2 Amb5749234 [0,0,0,0,0,1|1,0,2]=4 68 B17R2.162 O=CC(Cc1ccccn1)c2ccccc2 Amb5749231 [0,0,0,0,0,1|1,0,2]=4 69 B17R2.162 O=CC(Cc1cccnc1)c2ccccc2 Amb5749232 [0,0,0,0,0,1|1,0,2]=4 70 B17R2.162 O=CC(Cc1ccncc1)c2ccccc2 Amb5749233 [0,0,0,0,0,1|1,0,2]=4 71 B17R2.162 O=CN(Cc1ccccc1)c2ccccc2 Amb27611605 [0,0,0,0,0,1|2,0,1]=4 72 B17R2.162 O=C\C(=C\c1ccccc1)c2ccccc2 Amb9826098 [0,0,0,0,0,1|1,0,0]=2 73 B17R2.162 O=C\C(=C\c1ccccn1)c2ccccc2 Amb17339287 [0,0,0,0,0,1|1,0,0]=2 74 B17R2.162 O=C\C(=C\c1cccnc1)c2ccccc2 Amb17339288 [0,0,0,0,0,1|1,0,0]=2 75 B17R2.162 O=C\C(=C\c1ccncc1)c2ccccc2 Amb17339289 [0,0,0,0,0,1|1,0,0]=2 76 B14R2.101 C(=C\[n+]1ccccc1)/c2cccs2 Amb22442730 [2,0,0,0,0,0|1,1,0]=4 77 B14R2.101 C(=C\c1ccco1)/c2ccccc2 Amb26498528 [2,0,0,0,0,0|0,0,0]=2 78 B14R2.101 C(=C\c1cccs1)/c2ccccc2 Amb1060407 [2,0,0,0,0,0|0,1,0]=3 79 B14R2.101 C(=C\c1cccs1)/c2ccccn2 Amb1061335 [2,0,0,0,0,0|1,1,0]=4 80 B14R2.101 C(=C\c1cccs1)/c2ccncc2 Amb24660957 [2,0,0,0,0,0|1,1,0]=4 81 B14R2.101 C(=C\c1ccsc1)/c2ccccc2 Amb2642856 [2,0,0,0,0,0|2,0,0]=4 82 B14R2.101 C(=N\c1ccccc1)/c2cccs2 Amb2425844 [2,0,0,0,0,0|1,1,0]=4 83 B14R2.101 c1ccc(CNc2ccco2)cc1 Amb25380740 [2,0,0,0,0,0|1,0,1]=4 84 B14R2.101 c1ccc(NCc2ccco2)cc1 Amb1669289 [2,0,0,0,0,0|1,0,1]=4 85 B14R2.101 c1ccc(OCc2ccco2)cc1 Amb1352023 [2,0,0,0,0,0|1,0,1]=4 86 B16R2.125 Cc1ccc(C(=O)Cc2cccs2)cc1 Amb28041266 [1,1,0,0,0,0|0,1,1]=4 87 B16R2.125 Cc1ccc(\[N+]([O-])=C\c2ccco2)cc1 Amb24073012 [1,1,0,0,0,0|1,0,1]=4 88 B16R2.125 O=C(Cc1ccco1)c2ccc(Br)cn2 Amb27603874 [1,1,0,0,0,0|1,0,1]=4 89 B16R2.125 O=C(Cc1ccco1)c2ccc(Cl)nc2 Amb28240725 [1,1,0,0,0,0|1,0,1]=4 90 B16R2.125 O=C(Cc1ccco1)c2ccc(F)cc2 Amb27407470 [1,1,0,0,0,0|0,0,1]=3 91 B16R2.125 O=C(Cc1ccco1)c2ccc(F)cn2 Amb27667388 [1,1,0,0,0,0|1,0,1]=4 92 B16R2.125 O=C(Cc1cccs1)c2ccc(Br)cc2 Amb27610961 [1,1,0,0,0,0|0,1,1]=4 93 B16R2.243 O=C(Cc1ccco1)c2cccc(Br)c2 Amb27586874 [1,1,0,0,0,0|0,0,1]=3 94 B16R2.243 O=C(Cc1ccco1)c2cccc(I)c2 Amb27641032 [1,1,0,0,0,0|0,0,1]=3 95 B16R2.243 O=C(Cc1cccs1)c2cccc(Cl)c2 Amb27465200 [1,1,0,0,0,0|0,1,1]=4 96 B16R2.2829 Cc1cc(NC(=O)c2ccccc2)on1 Amb7370372 [1,1,0,0,0,0|2,0,0]=4 97 B16R2.2829 O=C(Cc1ccc(Br)o1)c2ccccc2 Amb27410011 [1,1,0,0,0,0|0,0,1]=3 98 B16R2.2965 Cc1ccccc1C(=O)Cc2ccco2 Amb28191488 [1,1,0,0,0,0|0,0,1]=3 99 B16R2.2965 Cc1ccccc1C(=O)Cc2cccs2 Amb27600519 [1,1,0,0,0,0|0,1,1]=4 100 B16R2.2965 Cc1cccnc1C(=O)Cc2ccco2 Amb27611070 [1,1,0,0,0,0|1,0,1]=4 101 B16R2.2965 Nc1ccccc1C(=O)Cc2cccs2 Amb1080883 [1,1,0,0,0,0|0,1,1]=4 102 B16R2.2965 O=C(Cc1ccco1)c2ccncc2Cl Amb27477243 [1,1,0,0,0,0|1,0,1]=4 103 B16R2.2965 O=C(Cc1ccco1)c2ccncc2F Amb27749920 [1,1,0,0,0,0|1,0,1]=4 104 B16R2.2965 O=C(Cc1ccco1)c2ncccc2Cl Amb27479011 [1,1,0,0,0,0|1,0,1]=4 105 B16R2.2965 O=C(Cc1ccco1)c2ncccc2F Amb28202411 [1,1,0,0,0,0|1,0,1]=4 106 B16R2.2965 O=C(Cc1cccs1)c2ccccc2I Amb27663093 [1,1,0,0,0,0|0,1,1]=4 107 B16R2.6780 O=C(C(=O)c1cccs1)c2ccccc2 Amb4448009 [1,1,0,0,0,0|0,1,0]=3 108 B16R2.6780 O=C(c1ccco1)C(Cl)c2ccccc2 Amb27807824 [1,1,0,0,0,0|1,0,1]=4 109 B16R2.6780 O=C(c1ccco1)C(O)c2ccccc2 Amb10562222 [1,1,0,0,0,0|0,0,2]=4 110 B16R2.189 O\N=C(/c1ccc(Cl)cc1)c2ccco2 Amb1089511 [0,1,0,0,1,0|1,0,1]=4 111 B16R2.519 O=C(O)C(c1ccccc1)c2ccco2 Amb17079295 [0,1,0,0,1,0|0,0,1]=3 112 B16R2.519 O=C(O)C(c1ccccc1)c2cccs2 Amb17079282 [0,1,0,0,1,0|0,1,1]=4 113 B16R2.12863 O=C(O)\C(=C/c1cccs1)c2cccs2 Amb31311503 [0,1,0,0,1,0|1,1,0]=4 114 B16R2.12863 O=C(O)\C(=C\c1ccco1)c2cccs2 Amb5734309 [0,1,0,0,1,0|1,0,0]=3 115 B16R2.12863 O=C(O)\C(=C\c1cccs1)c2cccs2 Amb4500394 [0,1,0,0,1,0|1,1,0]=4 116 B18R2.2315 O=CC(C(=O)c1ccccc1)c2ccccc2 Amb17596146 [0,1,0,0,0,1|1,0,1]=4 117 B18R2.4111 NC(=O)\C(=C/c1ccccc1)c2ccccc2 Amb3447032 [0,1,0,0,0,1|1,0,0]=3 118 B18R2.4111 NC(=O)\C(=C\c1ccccc1)c2ccccc2 Amb2720891 [0,1,0,0,0,1|1,0,0]=3 119 B18R2.4111 O=C(Cl)\C(=C\c1ccccc1)c2ccccc2 Amb32454655 [0,1,0,0,0,1|1,0,0]=3 120 B18R2.4111 O=C(O)\C(=C/c1ccccc1)c2ccccc2 Amb1208859 [0,1,0,0,0,1|1,0,0]=3 121 B18R2.4111 O=C(O)\C(=C\c1ccccc1)c2ccccc2 Amb1933695 [0,1,0,0,0,1|1,0,0]=3 122 B18R2.4111 O=C(O)\C(=C\c1ccccc1)c2ccccn2 Amb17246901 [0,1,0,0,0,1|2,0,0]=4 123 B18R2.4111 O=C(O)\C(=C\c1ccccn1)c2ccccc2 Amb5734329 [0,1,0,0,0,1|1,0,0]=3 124 B18R2.4111 O=C(O)\C(=C\c1cccnc1)c2ccccc2 Amb5734330 [0,1,0,0,0,1|1,0,0]=3 125 B18R2.4111 O=C(O)\C(=C\c1cccnc1)c2ccccn2 Amb17247280 [0,1,0,0,0,1|2,0,0]=4 126 B18R2.4111 O=C(O)\C(=C\c1ccncc1)c2ccccc2 Amb5734331 [0,1,0,0,0,1|1,0,0]=3 127 B18R2.4111 O=[N+]([O-])\C(=C/c1ccccc1)c2ccccc2 Amb6572843 [0,1,0,0,0,1|2,0,0]=4 128 B18R2.7801 Cc1ccc(\C=C(\C=O)c2ccccc2)cc1 Amb17342416 [0,1,0,0,0,1|1,0,0]=3 129 B18R2.7801 O=C\C(=C\c1ccc(Cl)cc1)c2ccccc2 Amb17349262 [0,1,0,0,0,1|1,0,0]=3 130 B18R2.7801 O=C\C(=C\c1ccc(F)cc1)c2ccccc2 Amb17343561 [0,1,0,0,0,1|1,0,0]=3 131 B18R2.7801 O=C\C(=C\c1ccc(O)cc1)c2ccccc2 Amb17343017 [0,1,0,0,0,1|1,0,0]=3 132 B18R2.7815 Cc1cccc(\C=C(\C=O)c2ccccc2)c1 Amb17342415 [0,1,0,0,0,1|1,0,0]=3 133 B18R2.7815 O=C\C(=C\c1cccc(Cl)c1)c2ccccc2 Amb17349261 [0,1,0,0,0,1|1,0,0]=3 134 B18R2.7815 O=C\C(=C\c1cccc(O)c1)c2ccccc2 Amb17343018 [0,1,0,0,0,1|1,0,0]=3 135 B18R2.7830 Cc1ccccc1\C=C(\C=O)c2ccccc2 Amb17342414 [0,1,0,0,0,1|1,0,0]=3 136 B18R2.7830 O=C\C(=C\c1ccccc1Cl)c2ccccc2 Amb17349260 [0,1,0,0,0,1|1,0,0]=3 137 B18R2.7830 O=C\C(=C\c1ccccc1F)c2ccccc2 Amb17343560 [0,1,0,0,0,1|1,0,0]=3 138 B18R2.12689 O=C(O)C(SCc1ccco1)c2ccccc2 Amb9203022 [0,1,0,0,0,1|0,0,2]=4 139 B18R2.92911 Cc1ccc(C(Cc2ccco2)C(=O)O)cc1 Amb5734153 [0,2,0,0,0,0|0,0,2]=4 140 B18R2.92911 Cc1ccc(\C(=C/c2ccco2)C(=O)O)cc1 Amb5734479 [0,2,0,0,0,0|0,0,0]=2 141 B18R2.92911 Cc1ccc(\C(=C/c2cccs2)C(=O)O)cc1 Amb5734480 [0,2,0,0,0,0|0,1,0]=3 142 B18R2.92911 Nc1ccc(C(Cc2ccco2)C(=O)O)cc1 Amb17104609 [0,2,0,0,0,0|0,0,2]=4 143 B18R2.92911 O=C(O)C(Cc1ccco1)c2ccc(Cl)cc2 Amb5734215 [0,2,0,0,0,0|0,0,2]=4 144 B18R2.92911 O=C(O)C(Cc1ccco1)c2ccc(F)cc2 Amb5734077 [0,2,0,0,0,0|0,0,2]=4 145 B18R2.92911 O=C(O)\C(=C\c1ccco1)c2ccc(Cl)cc2 Amb5734544 [0,2,0,0,0,0|0,0,0]=2 146 B18R2.92911 O=C(O)\C(=C\c1ccco1)c2ccc(F)cc2 Amb5734397 [0,2,0,0,0,0|0,0,0]=2 147 B18R2.92911 O=C(O)\C(=C\c1cccs1)c2ccc(Cl)cc2 Amb5734545 [0,2,0,0,0,0|0,1,0]=3 148 B18R2.92911 O=C(O)\C(=C\c1cccs1)c2ccc(F)cc2 Amb5734398 [0,2,0,0,0,0|0,1,0]=3 149 B18R2.126849 CC(C=O)(Cc1ccco1)c2ccc(Cl)cc2 Amb5749086 [0,2,0,0,0,0|0,0,2]=4 150 B18R2.126849 CC(C=O)(Cc1ccco1)c2ccc(F)cc2 Amb5748938 [0,2,0,0,0,0|0,0,2]=4 151 B18R2.126849 Cc1ccc(C(C)(C=O)Cc2ccco2)cc1 Amb5749021 [0,2,0,0,0,0|0,0,2]=4 152 B18R2.21284 COC(=O)\C(=C\c1ccco1)c2ccccc2 Amb936654 [0,2,0,0,0,0|0,0,0]=2 153 B18R2.21284 COC(=O)\C(=C\c1cccs1)c2ccccc2 Amb3428074 [0,2,0,0,0,0|0,1,0]=3 154 B18R2.21284 NCC(=O)N(Cc1ccco1)c2ccccc2 Amb17142622 [0,2,0,0,0,0|1,0,1]=4 155 B18R2.21284 O=C(CCl)N(Cc1ccco1)c2ccccc2 Amb2366808 [0,2,0,0,0,0|1,0,1]=4 156 B18R2.31166 CC(=O)N(Cc1ccco1)c2cccc(N)c2 Amb17142623 [0,2,0,0,0,0|1,0,1]=4 157 B18R2.31166 Cc1cccc(C(Cc2ccco2)C(=O)O)c1 Amb5734127 [0,2,0,0,0,0|0,0,2]=4 158 B18R2.31166 Cc1cccc(\C(=C/c2ccco2)C(=O)O)c1 Amb5734450 [0,2,0,0,0,0|0,0,0]=2 159 B18R2.31166 Cc1cccc(\C(=C/c2cccs2)C(=O)O)c1 Amb5734451 [0,2,0,0,0,0|0,1,0]=3 160 B18R2.31166 O=C(O)C(Cc1ccco1)c2cccc(Cl)c2 Amb5734197 [0,2,0,0,0,0|0,0,2]=4 161 B18R2.31166 O=C(O)C(Cc1ccco1)c2cccc(F)c2 Amb5734053 [0,2,0,0,0,0|0,0,2]=4 162 B18R2.31166 O=C(O)\C(=C\c1ccco1)c2cccc(Cl)c2 Amb5734526 [0,2,0,0,0,0|0,0,0]=2 163 B18R2.31166 O=C(O)\C(=C\c1ccco1)c2cccc(F)c2 Amb5734372 [0,2,0,0,0,0|0,0,0]=2 164 B18R2.31166 O=C(O)\C(=C\c1cccs1)c2cccc(Cl)c2 Amb5734527 [0,2,0,0,0,0|0,1,0]=3 165 B18R2.31166 O=C(O)\C(=C\c1cccs1)c2cccc(F)c2 Amb5734373 [0,2,0,0,0,0|0,1,0]=3 166 B18R2.912385 CC(C=O)(Cc1ccco1)c2cccc(Cl)c2 Amb5749068 [0,2,0,0,0,0|0,0,2]=4 167 B18R2.912385 CC(C=O)(Cc1ccco1)c2cccc(F)c2 Amb5748913 [0,2,0,0,0,0|0,0,2]=4 168 B18R2.912385 Cc1cccc(C(C)(C=O)Cc2ccco2)c1 Amb5748992 [0,2,0,0,0,0|0,0,2]=4 169 B18R2.32739 Cc1ccccc1C(Cc2ccco2)C(=O)O Amb5734101 [0,2,0,0,0,0|0,0,2]=4 170 B18R2.32739 Cc1ccccc1\C(=C/c2ccco2)C(=O)O Amb5734421 [0,2,0,0,0,0|0,0,0]=2 171 B18R2.32739 Cc1ccccc1\C(=C/c2cccs2)C(=O)O Amb5734422 [0,2,0,0,0,0|0,1,0]=3 172 B18R2.32739 O=C(O)C(Cc1ccco1)c2ccccc2Cl Amb5734179 [0,2,0,0,0,0|0,0,2]=4 173 B18R2.32739 O=C(O)C(Cc1ccco1)c2ccccc2F Amb5734029 [0,2,0,0,0,0|0,0,2]=4 174 B18R2.32739 O=C(O)\C(=C\c1ccco1)c2ccccc2Cl Amb5734508 [0,2,0,0,0,0|0,0,0]=2 175 B18R2.32739 O=C(O)\C(=C\c1ccco1)c2ccccc2F Amb5734347 [0,2,0,0,0,0|0,0,0]=2 176 B18R2.32739 O=C(O)\C(=C\c1cccs1)c2ccccc2Cl Amb5734509 [0,2,0,0,0,0|0,1,0]=3 177 B18R2.32739 O=C(O)\C(=C\c1cccs1)c2ccccc2F Amb5734348 [0,2,0,0,0,0|0,1,0]=3 178 B18R2.559978 CC(Cc1ccco1)(C(=O)O)c2ccccc2 Amb5747480 [0,2,0,0,0,0|0,0,2]=4 179 B18R2.2244735 CC(C=O)(Cc1ccco1)c2ccccc2Cl Amb5749050 [0,2,0,0,0,0|0,0,2]=4 180 B18R2.2244735 CC(C=O)(Cc1ccco1)c2ccccc2F Amb5748888 [0,2,0,0,0,0|0,0,2]=4 181 B18R2.2244735 Cc1ccccc1C(C)(C=O)Cc2ccco2 Amb5748963 [0,2,0,0,0,0|0,0,2]=4 182 B16R2.7 O\N=C\c1ccc(-c2ccccc2)cc1 Amb4035877 [0,0,1,1,0,0|2,0,0]=4 183 B16R2.24 Cc1c(C=O)cccc1-c2ccccc2 Amb22640990 [0,0,1,1,0,0|1,0,1]=4 184 B16R2.24 Cc1c(CO)cccc1-c2ccccc2 Amb3939192 [0,0,1,1,0,0|1,0,1]=4 185 B16R2.24 O=Cc1cccc(-c2ccccc2)c1Cl Amb33470194 [0,0,1,1,0,0|1,0,1]=4 186 B16R2.24 O=Cc1cccc(-c2ccccc2)c1F Amb28188758 [0,0,1,1,0,0|1,0,1]=4 187 B16R2.24 O=Cc1cccc(-c2ccccc2)c1O Amb18652800 [0,0,1,1,0,0|0,0,2]=4 188 B16R2.187 O=CC(c1ccccc1)c2ccccc2 Amb1207374 [0,0,1,1,0,0|1,0,1]=4 189 B16R2.187 O=CN(c1ccccc1)c2ccccc2 Amb1933754 [0,0,1,1,0,0|2,0,0]=4 190 B16R2.187 O=N\C(=C1\C=CC=CN1)c2ccccc2 Amb33513307 [0,0,1,1,0,0|2,0,0]=4 191 B16R2.2279 O=Cc1ccc(-c2ccccc2)cc1O Amb18652802 [0,0,1,1,0,0|2,0,0]=4 192 B16R3.5988 c1ccc(-c2cc3ccsc3s2)cc1 Amb4054382 [1,0,0,1,0,0|1,1,0]=4 193 B16R3.13490 O=C1Nc2sccc2-c3ccccc31 Amb19134089 [1,0,0,1,0,0|1,1,0]=4 194 B16R3.8 c1ccc2c(-c3cnco3)coc2c1 Amb35652471 [0,0,0,1,1,0|1,0,1]=4 195 B16R3.8 c1ccc2c(-c3cnco3)csc2c1 Amb35647915 [0,0,0,1,1,0|1,1,0]=4 196 B18R3.111 Brc1c(-c2ccccc2)cc3ccccn13 Amb22001852 [0,0,0,1,0,1|2,0,0]=4 197 B18R3.111 O=C1C(c2ccccc2)=NC3=CNC=CN13 Amb22463407 [0,0,0,1,0,1|2,0,0]=4 198 B18R3.2007 O=C1C(c2ccccc2)=C1c3ccccc3 Amb1929108 [0,0,0,1,0,1|1,0,0]=3 199 B18R3.2007 O=c1c(-c2ccccc2)c1-c3ccccc3 Amb17776578 [0,0,0,1,0,1|1,0,0]=3 200 B18R3.2123 c1ccc(-c2ccc3ccccc3c2)cc1 Amb20671365 [0,0,0,1,0,1|2,0,0]=4 201 B18R3.2123 c1ccc(-c2ccc3ccncc3c2)cc1 Amb17971155 [0,0,0,1,0,1|2,0,0]=4 202 B18R3.159486 C=Cc1cc2ccccc2c3ccccc13 Amb17621274 [0,0,0,1,0,1|2,0,0]=4 203 B18R3.159486 O=Cc1cc2ccccc2c3ccccc13 Amb3940285 [0,0,0,1,0,1|1,0,0]=3 204 B18R3.159486 O=Cc1cc2cccnc2c3ncccc13 Amb22002479 [0,0,0,1,0,1|2,0,0]=4 205 B18R3.159486 O=Cc1nc2ccccc2c3ccccc13 Amb23591046 [0,0,0,1,0,1|2,0,0]=4 206 B18R3.112 O=C1\C(=C/c2cccs2)Sc3ccccc31 Amb1022558 [0,0,0,1,0,1|0,1,0]=3 207 B18R3.28972 O=Cc1nc(-c2ccco2)n3ccccc13 Amb4228491 [0,0,0,1,0,1|1,0,0]=3 208 B18R3.28972 O=Cc1nc(-c2cccs2)n3ccccc13 Amb2501099 [0,0,0,1,0,1|1,1,0]=4 209 B18R3.2972 Brc1ccc(-c2ccc3ncoc3c2)cc1 Amb31115736 [0,1,0,1,0,0|2,0,0]=4 210 B18R3.2972 Nc1ccc(-c2ccc3ncoc3c2)cc1 Amb31133196 [0,1,0,1,0,0|2,0,0]=4 211 B18R3.1943 O=C(c1ccco1)c2coc3ccccc23 Amb31135181 [0,1,0,1,0,0|0,0,1]=3 212 B18R3.1943 O=C(c1cccs1)c2coc3ccccc23 Amb31137157 [0,1,0,1,0,0|0,1,1]=4 213 B18R3.28939 O=Cc1c(-c2ccco2)cc3ccccn13 Amb3789092 [0,1,0,1,0,0|1,0,0]=3 214 B18R3.28939 O=Cc1c(-c2cccs2)cc3ccccn13 Amb3789793 [0,1,0,1,0,0|1,1,0]=4 215 B18R3.28939 O=Cc1c(-c2cccs2)cn3ccccc13 Amb5739823 [0,1,0,1,0,0|1,1,0]=4 216 B18R3.28939 O=Nc1c(-c2ccco2)nc3ccccn13 Amb18632324 [0,1,0,1,0,0|2,0,0]=4 217 B18R3.151 O=C1Nc2ccc(-c3ccccc3)cc2O1 Amb18035984 [0,1,0,1,0,0|2,0,0]=4 218 B18R3.4180 Nc1noc2cc(-c3ccccc3)ccc12 Amb21964420 [0,1,0,1,0,0|2,0,0]=4 219 B18R3.3026 Brc1cccc(-c2ccc3ncoc3c2)c1 Amb31115737 [0,1,0,1,0,0|2,0,0]=4 220 B18R3.3026 Nc1cccc(-c2ccc3ncoc3c2)c1 Amb31133197 [0,1,0,1,0,0|2,0,0]=4 221 B18R3.6371 O=C1Nc2ccccc2C1Cc3ccco3 Amb13782375 [0,1,0,1,0,0|0,0,2]=4 222 B18R3.6371 O=C1Nc2ccccc2N1Cc3ccco3 Amb18035988 [0,1,0,1,0,0|1,0,1]=4 223 B18R3.6371 O=C1Nc2ccccc2\C1=C\c3cccs3 Amb2369353 [0,1,0,1,0,0|0,1,0]=3 224 B14R2.114 ClC(c1ccccc1)c2ccco2 Amb19041935 [1,0,0,0,1,0|1,0,1]=4 225 B14R2.114 NC(c1ccccc1)c2ccco2 Amb1660782 [1,0,0,0,1,0|1,0,1]=4 226 B14R2.114 NC(c1ccccc1)c2ccco2 Amb8503262 [1,0,0,0,1,0|1,0,1]=4 227 B14R2.114 O=C(c1ccccc1)c2ccco2 Amb1657713 [1,0,0,0,1,0|0,0,0]=2 228 B14R2.114 O=C(c1ccccc1)c2cccs2 Amb1014215 [1,0,0,0,1,0|0,1,0]=3 229 B14R2.114 O=C(c1ccccc1)c2ccns2 Amb27879947 [1,0,0,0,1,0|1,1,0]=4 230 B14R2.114 O=C(c1ccccc1)c2ccon2 Amb23412311 [1,0,0,0,1,0|2,0,0]=4 231 B14R2.114 O=C(c1ccccc1)c2ccsc2 Amb6301296 [1,0,0,0,1,0|2,0,0]=4 232 B14R2.114 O=C(c1ccccc1)c2ccsn2 Amb28364892 [1,0,0,0,1,0|2,0,0]=4 233 B14R2.114 O=C(c1ccccc1)c2cncs2 Amb25731676 [1,0,0,0,1,0|1,1,0]=4 234 B14R2.114 O=C(c1ccccc1)c2cocn2 Amb33330650 [1,0,0,0,1,0|2,0,0]=4 235 B14R2.114 O=C(c1ccccc1)c2cscn2 Amb19040513 [1,0,0,0,1,0|2,0,0]=4 236 B14R2.114 O=C(c1ccccc1)c2nccs2 Amb19886372 [1,0,0,0,1,0|1,1,0]=4 237 B14R2.114 O=C(c1ccccn1)c2ccco2 Amb8629078 [1,0,0,0,1,0|1,0,0]=3 238 B14R2.114 O=C(c1ccccn1)c2cccs2 Amb6301287 [1,0,0,0,1,0|1,1,0]=4 239 B14R2.114 O=C(c1ccncc1)c2ccco2 Amb18803325 [1,0,0,0,1,0|1,0,0]=3 240 B14R2.114 O=C(c1ccncn1)c2ccco2 Amb27272793 [1,0,0,0,1,0|2,0,0]=4 241 B14R2.114 O=C(c1ccnnc1)c2ccco2 Amb27663157 [1,0,0,0,1,0|2,0,0]=4 242 B14R2.114 O=C(c1cncnc1)c2ccco2 Amb18803896 [1,0,0,0,1,0|2,0,0]=4 243 B14R2.114 OC(c1ccccc1)c2ccco2 Amb9748271 [1,0,0,0,1,0|0,0,2]=4 244 B14R2.114 SC(c1ccccc1)c2ccco2 Amb7784710 [1,0,0,0,1,0|0,1,1]=4 245 B14R2.793 O=C(Cc1ccco1)c2cccs2 Amb27440826 [1,0,0,0,1,0|1,0,1]=4 246 B14R2.793 O=C(Nc1ccco1)c2ccco2 Amb27614299 [1,0,0,0,1,0|2,0,0]=4 247 B16R2.88 O=C(Cc1ccccc1)c2ccccc2 Amb1205838 [1,0,0,0,0,1|1,0,1]=4 248 B16R2.88 O=C(Cc1ccccn1)c2ccccc2 Amb33529218 [1,0,0,0,0,1|1,0,1]=4 249 B16R2.88 O=C(Cc1ccncc1)c2ccccc2 Amb33530368 [1,0,0,0,0,1|1,0,1]=4 250 B16R2.88 O=C(Cc1cnccn1)c2ccccc2 Amb2691341 [1,0,0,0,0,1|1,0,1]=4 251 B16R2.88 O=C(Cc1ncccn1)c2ccccc2 Amb22496154 [1,0,0,0,0,1|1,0,1]=4 252 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 Amb6346347 [1,0,0,0,0,1|2,0,0]=4 253 B16R2.88 O=C(Nc1ccccn1)c2ccccc2 Amb491228 [1,0,0,0,0,1|2,0,0]=4 254 B16R2.88 O=C(Nc1ccccn1)c2ccccc2 Amb7966466 [1,0,0,0,0,1|2,0,0]=4 255 B16R2.88 O=C(Nc1cccnc1)c2ccccc2 Amb3368143 [1,0,0,0,0,1|2,0,0]=4 256 B16R2.88 O=C(Nc1ccncc1)c2ccccc2 Amb2674634 [1,0,0,0,0,1|2,0,0]=4 257 B16R2.88 O=C(Oc1ccccc1)c2ccccc2 Amb2389283 [1,0,0,0,0,1|2,0,0]=4 258 B16R2.88 O=C(Oc1ccccn1)c2ccccc2 Amb2609898 [1,0,0,0,0,1|2,0,0]=4 259 B16R2.88 O=C(Oc1cccnc1)c2ccccc2 Amb2609761 [1,0,0,0,0,1|2,0,0]=4 260 B16R2.524 O=C(Cc1cccs1)Nc2ccccc2 Amb6351390 [1,0,0,0,0,1|0,1,1]=4 261 B16R2.5767 O=C(CSc1cccs1)c2ccccc2 Amb4330063 [1,0,0,0,0,1|0,1,1]=4 262 B16R2.5767 O=C(CSc1ncco1)c2ccccc2 Amb28906231 [1,0,0,0,0,1|1,0,1]=4 263 B16R2.5767 O=C(NCc1ccco1)c2ccccc2 Amb6318102 [1,0,0,0,0,1|0,0,1]=3 264 B16R2.5767 O=C(OCc1ccco1)c2ccccc2 Amb2716287 [1,0,0,0,0,1|0,0,1]=3 265 B16R2.5767 O=C(\C=C\c1ccco1)c2ccccc2 Amb1033026 [1,0,0,0,0,1|0,0,0]=2 266 B16R2.5767 O=C(\C=C\c1cccs1)c2ccccc2 Amb1223216 [1,0,0,0,0,1|0,1,0]=3 267 B16R2.5767 O=C(\C=C\c1ccsc1)c2ccccc2 Amb13777170 [1,0,0,0,0,1|2,0,0]=4 268 B16R2.101 O=CC(Cc1ccccc1)c2cccs2 Amb5749205 [0,0,0,0,1,1|0,1,1]=4 269 B18R2.199 O=C\C(=C\c1ccccc1)Cc2ccccc2 Amb17596065 [0,0,0,0,0,2|1,0,0]=3 270 B18R2.3606 O=C\C(=C/Nc1ccccc1)c2ccccc2 Amb17777668 [0,0,0,0,0,2|1,0,0]=3 271 B18R2.3606 O=C\C(=C/Oc1ccccc1)c2ccccc2 Amb17843321 [0,0,0,0,0,2|1,0,0]=3