0 B11R1.22 C#CC(N)C1=CC=C(C=C1)Br Z3378112680 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.22 C=C(CO)C1=CC=C(C=C1)C Z1896562587 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.22 C=CC(=O)C1=CC=C(C=C1)O Z1416178613 [0,0,0,0,0,0|1,0,3]=4 3 B11R1.22 CC(C#N)C1=CC=C(C=C1)Br Z1269233209 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.22 CC(C#N)C1=CC=C(C=C1)Cl Z1198147665 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.22 CC(C=O)C1=CC=C(C=C1)Br Z1269114153 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.22 CC(C=O)C1=CC=C(C=C1)Cl Z1198334992 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.22 CC(C=O)C1=CC=C(C=C1)F Z1255400140 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.22 CC(CN)C1=CC=C(C=C1)Br Z2906280360 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.22 CC(CN)C1=CC=C(C=C1)F Z415654954 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.22 CC(CO)C1=CC=C(C=C1)F Z1255440783 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr Z104481640 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.22 CC1=CC=C(C=C1)C(=O)CCl Z56886309 [0,0,0,0,0,0|2,0,2]=4 13 B11R1.22 CC1=CC=C(C=C1)C(=O)CN Z275368898 [0,0,0,0,0,0|1,0,2]=3 14 B11R1.22 CC1=CC=C(C=C1)C(=O)CO Z228585628 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.22 CC1=CC=C(C=C1)C(C)C#N Z415654732 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.22 CC1=CC=C(C=C1)C(C)C=O Z1198150045 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.22 CC1=CC=C(C=C1)C(N)CF Z2474474695 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [0,0,0,0,0,0|1,0,0]=1 21 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [0,0,0,0,0,0|1,0,0]=1 22 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br Z104485724 [0,0,0,0,0,0|2,0,2]=4 23 B11R1.22 CCC(=O)C1=CC=C(C=C1)Cl Z104477486 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.22 CCC(=O)C1=CC=C(C=C1)F Z104477898 [0,0,0,0,0,0|2,0,2]=4 25 B11R1.22 CCC(=O)C1=CC=C(C=C1)I Z285137052 [0,0,0,0,0,0|2,0,2]=4 26 B11R1.22 CCC(=O)C1=CC=C(C=C1)N Z1203578051 [0,0,0,0,0,0|2,0,2]=4 27 B11R1.22 CCC(=O)C1=CC=C(C=C1)O Z104499156 [0,0,0,0,0,0|1,0,2]=3 28 B11R1.22 CCC(C)C1=CC=C(C=C1)O Z104484172 [0,0,0,0,0,0|2,0,0]=2 29 B11R1.22 CCC(N)C1=CC=C(C=C1)Br Z90662172 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.22 CCC(N)C1=CC=C(C=C1)C Z90662186 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.22 CCC(N)C1=CC=C(C=C1)Cl Z221421644 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.22 CCC(O)C1=CC=C(C=C1)F Z228586174 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [0,0,0,0,0,0|1,0,0]=1 36 B11R1.22 CCC(O)C1=NC=C(C=C1)F Z1341678257 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.22 CCS(=O)C1=CC=C(C=C1)F Z1154828228 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.22 CC[C@@H](N)C1=CC=C(C=C1)F Z1626921240 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.22 CC[C@H](N)C1=CC=C(C=C1)F Z1625822291 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.22 CNC(=O)C1=CC=C(C=C1)O Z183855140 [0,0,0,0,0,0|2,0,2]=4 41 B11R1.22 CNC(C)C1=CC=C(C=C1)C Z239628686 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl Z159528172 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.22 CNC(C)C1=CC=C(C=C1)F Z166605480 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.22 CNC(C)C1=CC=C(C=C1)O Z316170374 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.22 COC(=O)C1=CC=C(C=C1)O Z19674820 [0,0,0,0,0,0|2,0,2]=4 46 B11R1.22 N#CC(N)C1=CC=C(C=C1)Cl Z1262246247 [0,0,0,0,0,0|2,0,2]=4 47 B11R1.22 N#CC(N)C1=CC=C(C=C1)F Z99599728 [0,0,0,0,0,0|2,0,2]=4 48 B11R1.22 N/C(=N\O)/C1=CC=C(C=C1)O Z156964722 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.22 NC(CF)C1=CC=C(C=C1)Cl Z1510155807 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.22 NC(CO)C1=CC=C(C=C1)Br Z2188171600 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.22 NC(CO)C1=CC=C(C=C1)F Z1268152327 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.22 NCC(=O)C1=CC=C(C=C1)Br Z1741980207 [0,0,0,0,0,0|1,0,2]=3 53 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl Z56928681 [0,0,0,0,0,0|1,0,2]=3 54 B11R1.22 NCC(=O)C1=CC=C(C=C1)F Z275365838 [0,0,0,0,0,0|1,0,2]=3 55 B11R1.22 NCC(=O)C1=CC=C(C=C1)O Z1198177329 [0,0,0,0,0,0|0,0,2]=2 56 B11R1.22 NCC(=O)C1=CN=C(C=C1)Cl Z2768165577 [0,0,0,0,0,0|2,0,2]=4 57 B11R1.22 NCC(O)C1=CC=C(C=C1)Cl Z295878600 [0,0,0,0,0,0|1,0,0]=1 58 B11R1.22 NNC(=O)C1=CC=C(C=C1)Br Z56899079 [0,0,0,0,0,0|2,0,2]=4 59 B11R1.22 NNC(=O)C1=CC=C(C=C1)F Z56862389 [0,0,0,0,0,0|2,0,2]=4 60 B11R1.22 NNC(=O)C1=CC=C(C=C1)N Z57199627 [0,0,0,0,0,0|2,0,2]=4 61 B11R1.22 NNC(=O)C1=CC=C(C=C1)O Z57036327 [0,0,0,0,0,0|1,0,2]=3 62 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br Z57708731 [0,0,0,0,0,0|2,0,2]=4 63 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Cl Z104484576 [0,0,0,0,0,0|2,0,2]=4 64 B11R1.22 O=C(CBr)C1=CC=C(C=C1)F Z104495742 [0,0,0,0,0,0|2,0,2]=4 65 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br Z56886257 [0,0,0,0,0,0|2,0,2]=4 66 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Cl Z104477840 [0,0,0,0,0,0|2,0,2]=4 67 B11R1.22 O=C(CCl)C1=CC=C(C=C1)F Z104478978 [0,0,0,0,0,0|2,0,2]=4 68 B11R1.22 O=C(CCl)C1=CC=C(C=C1)I Z57046985 [0,0,0,0,0,0|2,0,2]=4 69 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O Z104378296 [0,0,0,0,0,0|1,0,2]=3 70 B11R1.22 O=C(CO)C1=CC=C(C=C1)Cl Z906206720 [0,0,0,0,0,0|2,0,2]=4 71 B10R1.1 CC1=CC=C(C=C1)CC#N Z285131444 [1,0,0,0,0,0|1,0,2]=4 72 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [1,0,0,0,0,0|1,0,0]=2 74 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.1 CC1=NC=C(C=C1)CCN Z600584220 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.1 CCNC1=CC=C(C=C1)Br Z286365048 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.1 CCNC1=CC=C(C=C1)Cl Z2902298062 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.1 CCNC1=CC=C(C=C1)F Z89270849 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.1 CCNC1=CC=C(C=C1)N Z359511474 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.1 CCOC1=CC=C(C=C1)N Z57127438 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.1 CCOC1=CC=C(C=C1)S Z166646982 [1,0,0,0,0,0|2,1,0]=4 86 B10R1.1 CNCC1=CC=C(C=C1)Br Z56175269 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.1 CNCC1=CC=C(C=C1)Cl Z56956070 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.1 CNCC1=CC=C(C=C1)F Z56963340 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.1 CNCC1=CC=C(C=C1)I Z4242747560 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.1 CSCC1=CC=C(C=C1)Br Z19854469 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.1 N#CCC1=CC=C(C=C1)F Z89283961 [1,0,0,0,0,0|1,0,2]=4 95 B10R1.1 N#CCC1=CC=C(C=C1)N Z90122117 [1,0,0,0,0,0|1,0,2]=4 96 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [1,0,0,0,0,0|0,0,2]=3 97 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.1 NC1=CN=C(C=C1)CCO Z1898597735 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [1,0,0,0,0,0|1,0,0]=2 100 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [1,0,0,0,0,0|1,0,0]=2 101 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [1,0,0,0,0,0|1,0,0]=2 102 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [1,0,0,0,0,0|1,0,0]=2 103 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [1,0,0,0,0,0|0,0,0]=1 104 B10R1.1 NCCC1=CN=C(C=C1)Cl Z1198178633 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.1 NCCC1=CN=C(N=C1)O Z2725055726 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.1 NCCC1=NC=C(C=C1)F Z2238508662 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.1 NCCC1=NC=C(C=C1)O Z2350909287 [1,0,0,0,0,0|1,0,0]=2 108 B10R1.1 NCCC1=NC=C(C=N1)Br Z4752114140 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.1 NOCC1=CC=C(C=C1)Cl Z1198164677 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.1 O/N=C/C1=CC=C(C=C1)O Z49568314 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.1 O=CCC1=CC=C(C=C1)Br Z1079442512 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.1 O=CCC1=CC=C(C=C1)Cl Z993017718 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.1 O=CCC1=CC=C(C=C1)F Z993017752 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.1 O=CNC1=CC=C(C=C1)O Z87002541 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [1,0,0,0,0,0|1,0,0]=2 118 B10R1.13 CC(=O)C1=CC=C(C=C1)Br Z57127459 [1,0,0,0,0,0|1,0,2]=4 119 B10R1.13 CC(=O)C1=CC=C(C=C1)C Z57127458 [1,0,0,0,0,0|1,0,2]=4 120 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl Z57127462 [1,0,0,0,0,0|1,0,2]=4 121 B10R1.13 CC(=O)C1=CC=C(C=C1)F Z57127466 [1,0,0,0,0,0|1,0,2]=4 122 B10R1.13 CC(=O)C1=CC=C(C=C1)I Z57073725 [1,0,0,0,0,0|1,0,2]=4 123 B10R1.13 CC(=O)C1=CC=C(C=C1)N Z57127377 [1,0,0,0,0,0|1,0,2]=4 124 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [1,0,0,0,0,0|0,0,2]=3 125 B10R1.13 CC(C)C1=CC=C(C=C1)Br Z732229746 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.13 CC(C)C1=CC=C(C=C1)Cl Z1255372793 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.13 CC(C)C1=CC=C(C=C1)N Z104476320 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [1,0,0,0,0,0|1,0,0]=2 129 B10R1.13 CC(N)C1=CC=C(C=C1)Br Z56347162 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.13 CC(N)C1=CC=C(C=C1)Cl Z56347112 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.13 CC(N)C1=CC=C(C=C1)O Z1741968989 [1,0,0,0,0,0|1,0,0]=2 132 B10R1.13 CC(N)C1=CN=C(C=C1)O Z4423361180 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.13 CC(O)C1=CC=C(C=C1)Br Z335244904 [1,0,0,0,0,0|1,0,0]=2 134 B10R1.13 CC(O)C1=CC=C(C=C1)Cl Z104479788 [1,0,0,0,0,0|1,0,0]=2 135 B10R1.13 CC(O)C1=CC=C(C=C1)F Z56347219 [1,0,0,0,0,0|1,0,0]=2 136 B10R1.13 CC(O)C1=CC=C(C=C1)I Z228586282 [1,0,0,0,0,0|1,0,0]=2 137 B10R1.13 CC(O)C1=NC=C(C=C1)F Z1255406174 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.13 CC(O)C1=NC=C(C=N1)Br Z1932158895 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.13 CC1=CC=C(C=C1)B(O)O Z336079532 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.13 CC1=CC=C(C=C1)C(=N)N Z1405445841 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.13 CC1=CC=C(C=C1)C(=O)O Z57902424 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.13 CC1=CC=C(C=C1)C(=S)N Z56939152 [1,0,0,0,0,0|1,1,1]=4 143 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [1,0,0,0,0,0|1,0,0]=2 145 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [1,0,0,0,0,0|1,0,0]=2 146 B10R1.13 CN(C)C1=CC=C(C=C1)O Z137981254 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.13 CS(=O)C1=CC=C(C=C1)N Z609944508 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)Br Z850973968 [1,0,0,0,0,0|1,0,0]=2 149 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)I Z360055808 [1,0,0,0,0,0|1,0,0]=2 150 B10R1.13 C[C@H](N)C1=CC=C(C=C1)Br Z1869802525 [1,0,0,0,0,0|2,0,0]=3 151 B10R1.13 C[C@H](N)C1=CC=C(C=C1)I Z1696091699 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.13 C[C@H](N)C1=CC=C(C=C1)O Z3183546879 [1,0,0,0,0,0|1,0,0]=2 153 B10R1.13 C[C@H](N)C1=NC=C(C=C1)Cl Z1753033020 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.13 C[C@H](O)C1=CC=C(C=C1)Br Z850973970 [1,0,0,0,0,0|1,0,0]=2 155 B10R1.13 C[C@H](O)C1=CC=C(C=C1)I Z360055806 [1,0,0,0,0,0|1,0,0]=2 156 B10R1.13 N=C(N)C1=CC=C(C=C1)Br Z1263602346 [1,0,0,0,0,0|2,0,1]=4 157 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl Z56771179 [1,0,0,0,0,0|2,0,1]=4 158 B10R1.13 N=C(N)C1=CC=C(C=C1)F Z2289798423 [1,0,0,0,0,0|2,0,1]=4 159 B10R1.13 N=C(N)C1=CC=C(C=C1)I Z2574914411 [1,0,0,0,0,0|2,0,1]=4 160 B10R1.13 N=C(N)C1=CC=C(C=C1)O Z1262398570 [1,0,0,0,0,0|1,0,1]=3 161 B10R1.13 NC(=O)C1=CC=C(C=C1)Br Z33546526 [1,0,0,0,0,0|1,0,2]=4 162 B10R1.13 NC(=O)C1=CC=C(C=C1)F Z33546459 [1,0,0,0,0,0|1,0,2]=4 163 B10R1.13 NC(=O)C1=CC=C(C=C1)I Z33546486 [1,0,0,0,0,0|1,0,2]=4 164 B10R1.13 NC(=O)C1=CC=C(C=C1)N Z104474782 [1,0,0,0,0,0|1,0,2]=4 165 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [1,0,0,0,0,0|0,0,2]=3 166 B10R1.13 NC(=S)C1=CC=C(C=C1)Br Z56964597 [1,0,0,0,0,0|1,1,1]=4 167 B10R1.13 NC(=S)C1=CC=C(C=C1)Cl Z57070431 [1,0,0,0,0,0|1,1,1]=4 168 B10R1.13 NC(=S)C1=CC=C(C=C1)N Z234895465 [1,0,0,0,0,0|1,1,1]=4 169 B10R1.13 NC(=S)C1=CC=C(C=C1)O Z90124534 [1,0,0,0,0,0|0,1,1]=3 170 B10R1.13 NC1=CC=C(C=C1)B(O)O Z1741970842 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.13 NC1=CC=C(C=C1)C(=O)O Z57127446 [1,0,0,0,0,0|2,0,1]=4 172 B10R1.13 NC1=CC=C(C=C1)C(F)F Z2900188029 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.13 O=C(O)C1=CC=C(C=C1)Br Z57127530 [1,0,0,0,0,0|2,0,1]=4 174 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl Z104473324 [1,0,0,0,0,0|2,0,1]=4 175 B10R1.13 O=C(O)C1=CC=C(C=C1)F Z57367354 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.13 O=C(O)C1=CC=C(C=C1)I Z57636572 [1,0,0,0,0,0|2,0,1]=4 177 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [1,0,0,0,0,0|1,0,1]=3 178 B10R1.13 O=C(O)C1=CC=C(C=C1)S Z223639246 [1,0,0,0,0,0|1,1,1]=4 179 B10R1.13 O=C(O)C1=CN=C(C=C1)O Z104500708 [1,0,0,0,0,0|2,0,1]=4 180 B10R1.13 O=P(O)C1=CC=C(C=C1)Cl Z56798029 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O Z57127483 [1,0,0,0,0,0|2,0,1]=4 182 B10R1.13 OB(O)C1=CC=C(C=C1)Br Z1169350731 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.13 OB(O)C1=CC=C(C=C1)Cl Z295122658 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.13 OB(O)C1=CC=C(C=C1)F Z381540956 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.13 OB(O)C1=CC=C(C=C1)O Z336080006 [1,0,0,0,0,0|2,0,0]=3 186 B10R1.13 OC1=NC=C(C=C1)C(F)F Z1726130896 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [1,0,0,0,0,0|1,0,1]=3 188 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [1,0,0,0,0,0|1,0,1]=3 189 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,0,0,0,0,0|2,0,1]=4 190 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [1,0,0,0,0,0|2,0,0]=3 191 B10R1.15 CC(CN)C1=CC=NC=C1 Z415654978 [1,0,0,0,0,0|2,0,0]=3 192 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [1,0,0,0,0,0|1,0,2]=4 193 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.15 CCC(N)C1=CC=NC=C1 Z228583312 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [1,0,0,0,0,0|1,0,0]=2 196 B10R1.15 CCC(O)C1=CC=NC=C1 Z513749638 [1,0,0,0,0,0|2,0,0]=3 197 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [1,0,0,0,0,0|1,0,0]=2 199 B10R1.15 N#CC(Br)C1=CC=CC=C1 Z1198157485 [1,0,0,0,0,0|1,0,2]=4 200 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [1,0,0,0,0,0|2,0,0]=3 201 B10R1.15 NC(CO)C1=CN=CC=C1 Z2350903961 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [1,0,0,0,0,0|0,0,2]=3 203 B10R1.15 NCC(=O)C1=CC=NC=C1 Z2677521709 [1,0,0,0,0,0|1,0,2]=4 204 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [1,0,0,0,0,0|1,0,0]=2 205 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [1,0,0,0,0,0|0,0,0]=1 206 B10R1.15 NCC(O)C1=CN=CC=C1 Z336086578 [1,0,0,0,0,0|1,0,0]=2 207 B10R1.15 NCC(O)C1=NC=CC=C1 Z802671456 [1,0,0,0,0,0|1,0,0]=2 208 B10R1.15 NNC(=O)C1=CC=CC=C1 Z56926669 [1,0,0,0,0,0|1,0,2]=4 209 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [1,0,0,0,0,0|2,0,0]=3 211 B10R1.15 O=C(CCl)C1=CC=CC=C1 Z57834468 [1,0,0,0,0,0|1,0,2]=4 212 B10R1.15 O=C(CO)C1=CC=CC=C1 Z906206792 [1,0,0,0,0,0|1,0,2]=4 213 B10R1.15 OCC(O)C1=CC=NC=C1 Z2736474279 [1,0,0,0,0,0|2,0,0]=3 214 B10R1.15 OCC(O)C1=NC=CC=C1 Z4985119178 [1,0,0,0,0,0|2,0,0]=3 215 B12R1.5 C=C(CO)C1=CC=C(C=C1)OC Z1896425058 [0,1,0,0,0,0|2,0,1]=4 216 B12R1.5 CCC(C)C1=CC=C(C=C1)C=O Z385369904 [0,1,0,0,0,0|2,0,1]=4 217 B12R1.5 CCC(N)C1=CC=C(C=C1)OC Z85929849 [0,1,0,0,0,0|2,0,0]=3 218 B12R1.5 CCC(O)C1=CC=C(C=C1)OC Z228586320 [0,1,0,0,0,0|1,0,0]=2 219 B12R1.5 CCN(C)C1=CC=C(C=C1)CO Z409026316 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.5 CNC(C)C1=CC=C(C=C1)OC Z239628826 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.5 COC1=CC=C(C=C1)C(=O)CCl Z56945957 [0,1,0,0,0,0|1,0,2]=4 222 B12R1.5 COC1=CC=C(C=C1)C(=O)CO Z228585822 [0,1,0,0,0,0|1,0,2]=4 223 B12R1.5 COC1=CC=C(C=C1)C(=O)NN Z57199662 [0,1,0,0,0,0|1,0,2]=4 224 B12R1.5 COC1=CC=C(C=C1)C(C)C=O Z1255380175 [0,1,0,0,0,0|2,0,1]=4 225 B12R1.5 COC1=CC=C(C=C1)C(N)CO Z1263714101 [0,1,0,0,0,0|2,0,0]=3 226 B12R1.5 COC1=CC=C(C=C1)[C@H](C)C=O Z1511751525 [0,1,0,0,0,0|2,0,1]=4 227 B12R1.5 N#CC1=CC=C(C=C1)C(N)CF Z3270204937 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.5 NCC(N)C1=CC=C(C=C1)CO Z3475823886 [0,1,0,0,0,0|1,0,0]=2 229 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Br Z415697662 [0,1,0,0,0,0|2,0,0]=3 230 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Cl Z556092664 [0,1,0,0,0,0|2,0,0]=3 231 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)F Z725146590 [0,1,0,0,0,0|2,0,0]=3 232 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)O Z4309614316 [0,1,0,0,0,0|1,0,0]=2 233 B12R1.9 CC(C)(CN)C1=NC=C(C=C1)Br Z4521698970 [0,1,0,0,0,0|3,0,0]=4 234 B12R1.9 CC(C)(CO)C1=CC=C(C=C1)N Z4991552655 [0,1,0,0,0,0|3,0,0]=4 235 B12R1.9 CC(N)(CO)C1=CC=C(C=C1)Br Z2050688353 [0,1,0,0,0,0|3,0,0]=4 236 B12R1.9 CC(N)(CO)C1=CC=C(C=C1)O Z2111443595 [0,1,0,0,0,0|2,0,0]=3 237 B12R1.9 CC(O)(CN)C1=CC=C(C=C1)F Z1020684278 [0,1,0,0,0,0|1,0,0]=2 238 B12R1.9 CC(O)(CO)C1=CC=C(C=C1)Br Z1537124450 [0,1,0,0,0,0|2,0,0]=3 239 B12R1.9 CC1=CC=C(C=C1)C(C)(C)CN Z725146612 [0,1,0,0,0,0|2,0,0]=3 240 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)Br Z1270554970 [0,1,0,0,0,0|3,0,0]=4 241 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O Z104477686 [0,1,0,0,0,0|2,0,0]=3 242 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Cl Z449374102 [0,1,0,0,0,0|2,0,0]=3 243 B12R1.9 NC1=CC=C(C=C1)C(F)(F)CF Z3241835627 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.9 NCC(F)(F)C1=NC=C(C=C1)F Z4617969937 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.9 OCC(F)(F)C1=CC=C(C=C1)F Z1486032148 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.12 CC/C(=N/O)/C1=CC=C(C=C1)O Z49568596 [0,1,0,0,0,0|1,0,1]=3 247 B12R1.12 CCC(C#N)C1=CC=C(C=C1)Cl Z1198339343 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.12 CCC(CN)C1=CC=C(C=C1)Cl Z1198306661 [0,1,0,0,0,0|2,0,0]=3 249 B12R1.12 CNC(CF)C1=CC=C(C=C1)Br Z3179025555 [0,1,0,0,0,0|3,0,0]=4 250 B12R1.12 CNC(CN)C1=CC=C(C=C1)F Z941154056 [0,1,0,0,0,0|2,0,0]=3 251 B12R1.12 CNC(CO)C1=CC=C(C=C1)Cl Z2235386839 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.12 COC(C#N)C1=CC=C(C=C1)F Z1270207023 [0,1,0,0,0,0|1,0,2]=4 253 B12R1.12 COC(CN)C1=CC=C(C=C1)C Z4168346391 [0,1,0,0,0,0|1,0,0]=2 254 B12R1.12 COC(CN)C1=CC=C(C=C1)Cl Z838184210 [0,1,0,0,0,0|1,0,0]=2 255 B12R1.12 COC(CN)C1=CC=C(C=C1)F Z1278866649 [0,1,0,0,0,0|1,0,0]=2 256 B12R1.12 COC(CN)C1=CC=C(C=C1)O Z4639315632 [0,1,0,0,0,0|0,0,0]=1 257 B12R1.12 NCC(CO)C1=CC=C(C=C1)Cl Z2130644164 [0,1,0,0,0,0|1,0,0]=2 258 B12R1.12 NCC(CO)C1=CC=C(C=C1)F Z1269131038 [0,1,0,0,0,0|1,0,0]=2 259 B12R1.12 OCC(CO)C1=CC=C(C=C1)Cl Z1198166557 [0,1,0,0,0,0|2,0,0]=3 260 B12R1.12 OCC(CO)C1=CC=C(C=C1)O Z1513899322 [0,1,0,0,0,0|1,0,0]=2 261 B12R1.16 CCCC(N)C1=CC=C(C=C1)Cl Z1416203204 [0,1,0,0,0,0|3,0,0]=4 262 B12R1.16 CCNC(=O)C1=CC=C(C=C1)O Z183861716 [0,1,0,0,0,0|1,0,2]=4 263 B12R1.16 CCNC(C)C1=CC=C(C=C1)F Z451452334 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O Z53833636 [0,1,0,0,0,0|1,0,2]=4 265 B12R1.16 CNCC(O)C1=CC=C(C=C1)F Z1263820285 [0,1,0,0,0,0|1,0,0]=2 266 B12R1.16 COCC(N)C1=CC=C(C=C1)F Z1297772361 [0,1,0,0,0,0|3,0,0]=4 267 B12R1.16 NC(CCO)C1=CC=C(C=C1)Br Z979743656 [0,1,0,0,0,0|3,0,0]=4 268 B12R1.16 NC(CCO)C1=CC=C(C=C1)F Z979743658 [0,1,0,0,0,0|3,0,0]=4 269 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)O Z1198150713 [0,1,0,0,0,0|1,0,2]=4 270 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)Br Z3211605350 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)Cl Z221528970 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)F Z99598998 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.20 CC(C)C(O)C1=CC=C(C=C1)Cl Z513748660 [0,1,0,0,0,0|2,0,0]=3 274 B12R1.20 CC(C)C(O)C1=NC=C(C=C1)Br Z1649738214 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.20 CC(N)C(=O)C1=CC=C(C=C1)Cl Z3023980683 [0,1,0,0,0,0|1,0,2]=4 276 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)Br Z336086694 [0,1,0,0,0,0|1,0,0]=2 277 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)F Z336086696 [0,1,0,0,0,0|1,0,0]=2 278 B12R1.20 CN(C(=O)N)C1=CC=C(C=C1)O Z285211056 [0,1,0,0,0,0|2,0,1]=4 279 B12R1.20 NC(=O)C(Br)C1=CC=C(C=C1)F Z198750878 [0,1,0,0,0,0|2,0,1]=4 280 B12R1.20 NC(=O)C(Cl)C1=CC=C(C=C1)Br Z56791849 [0,1,0,0,0,0|2,0,1]=4 281 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)Br Z57069227 [0,1,0,0,0,0|2,0,1]=4 282 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)Cl Z1255523404 [0,1,0,0,0,0|2,0,1]=4 283 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)F Z220512688 [0,1,0,0,0,0|2,0,1]=4 284 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O Z1198149764 [0,1,0,0,0,0|2,0,1]=4 285 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O Z1255364887 [0,1,0,0,0,0|2,0,1]=4 286 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Br Z788000726 [0,1,0,0,0,0|2,0,1]=4 287 B12R1.367 CC(CN)C1=CC(=C(C=C1)Cl)Cl Z4937190097 [0,1,0,0,0,0|2,0,0]=3 288 B12R1.367 CC(CN)C1=CC(=C(C=C1)F)Cl Z4937045907 [0,1,0,0,0,0|2,0,0]=3 289 B12R1.367 CC(CN)C1=CC(=C(C=C1)F)F Z415655058 [0,1,0,0,0,0|2,0,0]=3 290 B12R1.367 CC1=C(C=C(C=C1)C(=O)CN)Br Z3689015562 [0,1,0,0,0,0|1,0,2]=4 291 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)F Z1255468561 [0,1,0,0,0,0|1,0,2]=4 292 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)N Z2177031047 [0,1,0,0,0,0|1,0,2]=4 293 B12R1.367 CCC(C)C1=CC(=C(C=C1)O)N Z57441610 [0,1,0,0,0,0|2,0,0]=3 294 B12R1.367 CCC(N)C1=CC(=C(C=C1)Br)F Z5368653956 [0,1,0,0,0,0|3,0,0]=4 295 B12R1.367 CCC(O)C1=CC(=C(C=C1)Cl)Cl Z235447502 [0,1,0,0,0,0|2,0,0]=3 296 B12R1.367 CC[C@@H](O)C1=CC(=C(C=C1)Cl)Cl Z1483951050 [0,1,0,0,0,0|2,0,0]=3 297 B12R1.367 CC[C@H](O)C1=CC(=C(C=C1)C)F Z1255444475 [0,1,0,0,0,0|2,0,0]=3 298 B12R1.367 NC(CO)C1=CC(=C(C=C1)Br)F Z2205958451 [0,1,0,0,0,0|3,0,0]=4 299 B12R1.367 NC(CO)C1=CC(=C(C=C1)F)Cl Z3398351125 [0,1,0,0,0,0|3,0,0]=4 300 B12R1.367 NCC(=O)C1=CC(=C(C=C1)Br)F Z2719320982 [0,1,0,0,0,0|1,0,2]=4 301 B12R1.367 NCC(=O)C1=CC(=C(C=C1)Cl)Cl Z1269180328 [0,1,0,0,0,0|1,0,2]=4 302 B12R1.367 NCC(O)C1=CC(=C(C=C1)F)F Z330910382 [0,1,0,0,0,0|1,0,0]=2 303 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)O Z56912624 [0,1,0,0,0,0|1,0,2]=4 304 B12R1.367 OCC(O)C1=CC(=C(C=C1)Cl)F Z1537124099 [0,1,0,0,0,0|2,0,0]=3 305 B12R1.1703 CC(CN)C1=C(C=C(C=C1)F)F Z415655056 [0,1,0,0,0,0|2,0,0]=3 306 B12R1.1703 CCC(N)C1=C(C=C(C=C1)F)F Z335236622 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.1703 CCC(O)C1=C(C=C(C=C1)Cl)F Z1082848670 [0,1,0,0,0,0|2,0,0]=3 308 B12R1.1703 CCC(O)C1=C(C=C(C=C1)F)F Z756131106 [0,1,0,0,0,0|2,0,0]=3 309 B12R1.1703 NC(CO)C1=C(C=C(C=C1)F)F Z2582144029 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.1703 NCC(=O)C1=C(C=C(C=C1)Cl)F Z2687203864 [0,1,0,0,0,0|1,0,2]=4 311 B12R1.1703 NCC(=O)C1=C(C=C(C=C1)F)Cl Z2694742562 [0,1,0,0,0,0|1,0,2]=4 312 B12R1.1703 NCC(O)C1=C(C=C(C=C1)Cl)Cl Z336086576 [0,1,0,0,0,0|1,0,0]=2 313 B12R1.1703 NCC(O)C1=C(C=C(C=C1)F)F Z330910386 [0,1,0,0,0,0|1,0,0]=2 314 B12R1.1703 O=C(CCl)C1=C(C=C(C=C1)O)O Z56886635 [0,1,0,0,0,0|1,0,2]=4 315 B12R2.79 CC1=CC=C(C=C1)[C@@H]2C[C@H]2N Z2380468351 [0,0,0,1,0,0|2,0,0]=3 316 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)Cl Z3074487523 [0,0,0,1,0,0|2,0,0]=3 317 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)F Z2527567177 [0,0,0,1,0,0|2,0,0]=3 318 B12R2.79 NC1CC1C2=CC=C(C=C2)F Z1266823169 [0,0,0,1,0,0|2,0,0]=3 319 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(C=C2)Br Z2298098036 [0,0,0,1,0,0|2,0,0]=3 320 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl Z2298098012 [0,0,0,1,0,0|2,0,0]=3 321 B12R2.290 CC1(CC1)C2=CC=C(C=C2)N Z3033960685 [0,0,0,1,0,0|3,0,0]=4 322 B12R2.290 CC1(CO1)C2=CC=C(C=C2)F Z1020684130 [0,0,0,1,0,0|3,0,0]=4 323 B12R2.290 CC1=CC=C(C=C1)C2(CO2)C Z1020684066 [0,0,0,1,0,0|3,0,0]=4 324 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Br Z600428582 [0,0,0,1,0,0|3,0,0]=4 325 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Cl Z381654482 [0,0,0,1,0,0|3,0,0]=4 326 B12R2.290 NC1(CC1)C2=CC=C(C=C2)F Z381654558 [0,0,0,1,0,0|3,0,0]=4 327 B12R2.290 NC1(CC1)C2=CC=C(C=C2)I Z2751942844 [0,0,0,1,0,0|3,0,0]=4 328 B12R2.290 NC1(CC1)C2=CN=C(C=C2)O Z4521497699 [0,0,0,1,0,0|3,0,0]=4 329 B12R2.612 CC1=CC2=C(C=C1)C(CC2)N Z802665938 [0,0,0,1,0,0|3,0,0]=4 330 B12R2.612 CC1=CNC2=C1C=CC(=C2)O Z1203731448 [0,0,0,1,0,0|1,0,2]=4 331 B12R2.612 CN1CCC2=C1C=CC(=C2)O Z2238129691 [0,0,0,1,0,0|3,0,0]=4 332 B12R2.612 NC1=CC2=C(C=C1)C(CC2)N Z2526714445 [0,0,0,1,0,0|3,0,0]=4 333 B12R2.612 NC1CCC2=C1C=CC(=C2)Br Z802671682 [0,0,0,1,0,0|3,0,0]=4 334 B12R2.612 NC1CCC2=C1C=CC(=C2)Cl Z802665886 [0,0,0,1,0,0|3,0,0]=4 335 B12R2.612 NC1CCC2=C1C=CC(=C2)F Z802671620 [0,0,0,1,0,0|3,0,0]=4 336 B12R2.612 NC1COC2=C1C=CC(=C2)Br Z1269171640 [0,0,0,1,0,0|3,0,0]=4 337 B12R2.612 NC1COC2=C1C=CC(=C2)Cl Z3244818242 [0,0,0,1,0,0|3,0,0]=4 338 B12R2.612 NC1COC2=C1C=CC(=C2)F Z3014279399 [0,0,0,1,0,0|3,0,0]=4 339 B12R2.612 O=C1CCC2=C1C=CC(=C2)O Z1255457932 [0,0,0,1,0,0|1,0,2]=4 340 B12R2.612 O=C1COC2=C1C=CC(=C2)O Z111875098 [0,0,0,1,0,0|1,0,2]=4 341 B12R2.612 OC1=NNC2=C1C=CC(=C2)F Z1198174696 [0,0,0,1,0,0|2,0,1]=4 342 B12R2.612 OC1CCC2=C1C=CC(=C2)Br Z756050350 [0,0,0,1,0,0|2,0,0]=3 343 B12R2.612 OC1CCC2=C1C=CC(=C2)F Z1198318486 [0,0,0,1,0,0|2,0,0]=3 344 B12R2.612 OC1CCC2=C1N=CC(=C2)Br Z1269195934 [0,0,0,1,0,0|3,0,0]=4 345 B12R2.612 OC1COC2=C1C=CC(=C2)Br Z1362940613 [0,0,0,1,0,0|2,0,0]=3 346 B12R2.612 OC1COC2=C1C=CC(=C2)Cl Z1362956560 [0,0,0,1,0,0|2,0,0]=3 347 B12R2.612 OC1CSC2=C1C=CC(=C2)Br Z1862026249 [0,0,0,1,0,0|2,0,0]=3 348 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Br Z1269146008 [0,0,0,1,0,0|2,0,0]=3 349 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Cl Z959151848 [0,0,0,1,0,0|2,0,0]=3 350 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)F Z959151860 [0,0,0,1,0,0|2,0,0]=3 351 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)Cl Z959151850 [0,0,0,1,0,0|2,0,0]=3 352 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)F Z959151856 [0,0,0,1,0,0|2,0,0]=3 353 B12R2.2302 ClC1=CC=C(C=C1)C2CCN2 Z1267773691 [0,0,0,1,0,0|3,0,0]=4 354 B12R2.2302 ClC1=CC=C(C=C1)C2CNC2 Z3244745362 [0,0,0,1,0,0|2,0,0]=3 355 B12R2.2302 ClC1=CN=C(C=C1)C2CNC2 Z3069013257 [0,0,0,1,0,0|3,0,0]=4 356 B12R2.2302 NC1=CC=C(C=C1)C2CCC2 Z1203579606 [0,0,0,1,0,0|3,0,0]=4 357 B12R2.2302 OC1=CC=C(C=C1)C2CCC2 Z1486032779 [0,0,0,1,0,0|2,0,0]=3 358 B10R1.14 CC1=CC=C(O1)C(O)CN Z363991860 [0,0,0,0,1,0|2,0,0]=3 359 B10R1.14 CN1C=C(C=N1)C(O)CN Z336086446 [0,0,0,0,1,0|3,0,0]=4 360 B10R1.14 NCC(O)C1=CC=C(S1)Cl Z838891514 [0,0,0,0,1,0|2,0,0]=3 361 B12R1.49 CC(CN)OC1=CC=C(C=C1)Br Z844632490 [0,0,0,0,0,1|2,0,0]=3 362 B12R1.49 CC(CN)OC1=CC=C(C=C1)Cl Z844632498 [0,0,0,0,0,1|2,0,0]=3 363 B12R1.49 CC(CN)OC1=CC=C(C=C1)F Z274779140 [0,0,0,0,0,1|2,0,0]=3 364 B12R1.49 CC(CN)SC1=CC=C(C=C1)Br Z1266854950 [0,0,0,0,0,1|2,0,0]=3 365 B12R1.49 CC1=CC=C(C=C1)CC(N)CO Z1800620539 [0,0,0,0,0,1|3,0,0]=4 366 B12R1.49 CC1=CC=C(C=C1)OC(C)CN Z844632044 [0,0,0,0,0,1|2,0,0]=3 367 B12R1.49 CCC(=O)NC1=CC=C(C=C1)O Z223656304 [0,0,0,0,0,1|1,0,2]=4 368 B12R1.49 CCC(C)OC1=CC=C(C=C1)Br Z336342658 [0,0,0,0,0,1|3,0,0]=4 369 B12R1.49 CCC(C)OC1=CC=C(C=C1)N Z274541874 [0,0,0,0,0,1|3,0,0]=4 370 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [0,0,0,0,0,1|2,0,0]=3 371 B12R1.49 CCC(N)CC1=CC=C(C=C1)Br Z2582143601 [0,0,0,0,0,1|3,0,0]=4 372 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [0,0,0,0,0,1|3,0,0]=4 373 B12R1.49 CCC(N)CC1=CC=C(C=C1)Cl Z2044769785 [0,0,0,0,0,1|3,0,0]=4 374 B12R1.49 CCC(N)CC1=CC=C(C=C1)F Z2492774579 [0,0,0,0,0,1|3,0,0]=4 375 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [0,0,0,0,0,1|2,0,0]=3 376 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [0,0,0,0,0,1|2,0,0]=3 377 B12R1.49 C[C@@H](CN)OC1=CC=C(C=C1)Cl Z1860991587 [0,0,0,0,0,1|2,0,0]=3 378 B12R1.49 NC(CO)CC1=CC=C(C=C1)Cl Z3244488892 [0,0,0,0,0,1|3,0,0]=4 379 B12R1.49 NC(CO)CC1=CC=C(C=C1)F Z1849004242 [0,0,0,0,0,1|3,0,0]=4 380 B12R1.49 NC(CO)CC1=CC=C(C=C1)I Z1263636488 [0,0,0,0,0,1|3,0,0]=4 381 B12R1.49 NC1=CC=C(C=C1)CC(F)CO Z4580450313 [0,0,0,0,0,1|3,0,0]=4 382 B12R1.49 NCC(=O)CC1=CC=C(C=C1)F Z1889902528 [0,0,0,0,0,1|1,0,2]=4 383 B12R1.49 NCC(=O)NC1=CC=C(C=C1)Br Z594272012 [0,0,0,0,0,1|1,0,2]=4 384 B12R1.49 NCC(=O)NC1=CC=C(C=C1)Cl Z803145238 [0,0,0,0,0,1|1,0,2]=4 385 B12R1.49 NCC(=O)NC1=CC=C(C=C1)N Z2895972079 [0,0,0,0,0,1|1,0,2]=4 386 B12R1.49 NCC(=O)NC1=CC=C(C=C1)O Z1262237164 [0,0,0,0,0,1|0,0,2]=3 387 B12R1.49 NCC(O)CC1=CC=C(C=C1)Br Z4990293859 [0,0,0,0,0,1|1,0,0]=2 388 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [0,0,0,0,0,1|2,0,0]=3 389 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [0,0,0,0,0,1|2,0,0]=3 390 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O Z166646964 [0,0,0,0,0,1|1,0,2]=4 391 B9R1.1 CC1=CC=C(C=C1)NN Z56911942 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.1 CC1=CN=C(C=C1)CO Z1198270889 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.1 CC1=NC=C(C=C1)CN Z444349734 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.1 CC1=NC=C(C=C1)CO Z397587474 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.1 CCC1=CC=C(C=C1)I Z381540768 [2,0,0,0,0,0|1,0,0]=3 396 B9R1.1 CCC1=CC=C(C=C1)N Z104477836 [2,0,0,0,0,0|1,0,0]=3 397 B9R1.1 CCC1=CC=C(C=C1)O Z104479728 [2,0,0,0,0,0|0,0,0]=2 398 B9R1.1 CCC1=CN=C(C=C1)N Z1198224278 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.1 CNC1=CC=C(C=C1)I Z744582716 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.1 CNC1=CC=C(C=C1)O Z940713298 [2,0,0,0,0,0|1,0,0]=3 401 B9R1.1 COC1=CC=C(C=C1)C Z53834227 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.1 COC1=CC=C(C=C1)F Z53834743 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.1 COC1=CC=C(C=C1)N Z56938150 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.1 COC1=CC=C(C=C1)O Z104474598 [2,0,0,0,0,0|1,0,0]=3 405 B9R1.1 COC1=NC=C(C=C1)O Z1201623942 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.1 CSC1=CC=C(C=C1)N Z104511114 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.1 FC1=CC=C(C=C1)CBr Z89269613 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.1 N#CC1=CC=C(C=C1)O Z104473840 [2,0,0,0,0,0|0,0,2]=4 409 B9R1.1 NC1=NC=C(C=C1)CO Z960446254 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.1 NCC1=CC=C(C=C1)F Z54748266 [2,0,0,0,0,0|1,0,0]=3 411 B9R1.1 NCC1=CC=C(C=C1)O Z235348101 [2,0,0,0,0,0|0,0,0]=2 412 B9R1.1 NCC1=CN=C(C=C1)Cl Z247612574 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.1 NCC1=CN=C(C=C1)F Z1198311144 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.1 NCC1=CN=C(C=C1)O Z1269638445 [2,0,0,0,0,0|1,0,0]=3 415 B9R1.1 NCC1=NC=C(C=C1)Br Z3241254216 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.1 NCC1=NC=C(C=C1)Cl Z636367336 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.1 NCC1=NC=C(C=C1)F Z1198277779 [2,0,0,0,0,0|2,0,0]=4 418 B9R1.1 NCC1=NC=C(C=C1)N Z3244746175 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.1 NCC1=NC=C(C=C1)O Z3324887230 [2,0,0,0,0,0|1,0,0]=3 420 B9R1.1 NNC1=CC=C(C=C1)Cl Z56776889 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.1 O=CC1=CC=C(C=C1)O Z57127520 [2,0,0,0,0,0|0,0,2]=4 422 B9R1.1 OCC1=CC=C(C=C1)Br Z335244742 [2,0,0,0,0,0|1,0,0]=3 423 B9R1.1 OCC1=CC=C(C=C1)Cl Z104478032 [2,0,0,0,0,0|1,0,0]=3 424 B9R1.1 OCC1=CC=C(C=C1)F Z104477460 [2,0,0,0,0,0|1,0,0]=3 425 B9R1.1 OCC1=CC=C(C=C1)I Z385370342 [2,0,0,0,0,0|1,0,0]=3 426 B9R1.1 OCC1=NC=C(C=C1)Br Z1065600752 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.1 OCC1=NC=C(C=C1)Cl Z1198272591 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.1 OCC1=NC=C(C=C1)O Z1217915045 [2,0,0,0,0,0|1,0,0]=3 429 B9R1.1 SCC1=CC=C(C=C1)Cl Z55948216 [2,0,0,0,0,0|1,1,0]=4 430 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [2,0,0,0,0,0|1,0,0]=3 431 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [2,0,0,0,0,0|1,0,0]=3 434 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [2,0,0,0,0,0|1,0,0]=3 435 B9R1.8 NCCC1=CN=NC=C1 Z3070743015 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [2,0,0,0,0,0|1,0,0]=3 437 B9R1.8 NCCC1=NC=CN=C1 Z1925930460 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.8 NCCC1=NC=NC=C1 Z2935002210 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [2,0,0,0,0,0|1,0,0]=3 440 B9R1.8 NNCC1=CN=CC=C1 Z370706826 [2,0,0,0,0,0|2,0,0]=4 441 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [2,0,0,0,0,0|1,0,0]=3 442 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [2,0,0,0,0,0|1,0,1]=4 443 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [2,0,0,0,0,0|1,0,0]=3 444 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.6 CC(=O)C1=CC=CC=C1 Z57127548 [2,0,0,0,0,0|0,0,2]=4 447 B9R1.6 CC(C)C1=NC=CC=C1 Z1198148831 [2,0,0,0,0,0|2,0,0]=4 448 B9R1.6 CC(N)C1=CC=CC=C1 Z57102377 [2,0,0,0,0,0|1,0,0]=3 449 B9R1.6 CC(N)C1=CN=CC=C1 Z85921957 [2,0,0,0,0,0|2,0,0]=4 450 B9R1.6 CC(N)C1=NC=CC=C1 Z56347059 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [2,0,0,0,0,0|0,0,0]=2 452 B9R1.6 CC(O)C1=CC=NC=C1 Z335245082 [2,0,0,0,0,0|1,0,0]=3 453 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [2,0,0,0,0,0|1,0,0]=3 454 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [2,0,0,0,0,0|1,0,0]=3 455 B9R1.6 CC(O)C1=NC=CN=C1 Z513751834 [2,0,0,0,0,0|2,0,0]=4 456 B9R1.6 CN(N)C1=CC=CC=C1 Z57985384 [2,0,0,0,0,0|2,0,0]=4 457 B9R1.6 C[C@@H](N)C1=CC=CC=C1 Z1079183182 [2,0,0,0,0,0|1,0,0]=3 458 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Z1197994836 [2,0,0,0,0,0|2,0,0]=4 459 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [2,0,0,0,0,0|0,0,0]=2 460 B9R1.6 C[C@H](N)C1=CC=CC=C1 Z1079131570 [2,0,0,0,0,0|1,0,0]=3 461 B9R1.6 C[C@H](N)C1=CC=NC=C1 Z1492781304 [2,0,0,0,0,0|2,0,0]=4 462 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [2,0,0,0,0,0|0,0,0]=2 463 B9R1.6 N=C(N)C1=CC=CC=C1 Z166624376 [2,0,0,0,0,0|1,0,1]=4 464 B9R1.6 NC(=S)C1=CC=CC=C1 Z57070430 [2,0,0,0,0,0|0,1,1]=4 465 B9R1.6 O=C(O)C1=CC=CC=C1 Z57127480 [2,0,0,0,0,0|1,0,1]=4 466 B9R1.6 OB(O)C1=CC=CC=C1 Z111782400 [2,0,0,0,0,0|2,0,0]=4 467 B11R1.1 BrCCOC1=CC=C(C=C1)Br Z56887702 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.1 C=CCOC1=CC=C(C=C1)O Z381414818 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.1 CC1=CC=C(C=C1)OCCBr Z56886357 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.1 CC1=CC=C(C=C1)OCCN Z54747869 [1,1,0,0,0,0|1,0,0]=3 472 B11R1.1 CC1=CC=C(C=C1)SCCCl Z90122598 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.1 CC1=CC=C(C=C1)SCCO Z149178580 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.1 CC1=CN=C(C=C1)NCCN Z1695797833 [1,1,0,0,0,0|2,0,0]=4 475 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.1 CCCOC1=CC=C(C=C1)N Z239604724 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.1 CCNCC1=CC=C(C=C1)F Z3244655509 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.1 CCOCC1=CC=C(C=C1)Br Z823854370 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.1 CCOCC1=CC=C(C=C1)N Z240084570 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.1 CCSCC1=CC=C(C=C1)N Z332378208 [1,1,0,0,0,0|2,0,0]=4 482 B11R1.1 CNCCC1=CC=C(C=C1)Br Z385447024 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.1 CNCCC1=CC=C(C=C1)C Z5115849578 [1,1,0,0,0,0|1,0,0]=3 484 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.1 CNCCC1=CC=C(C=C1)F Z138454998 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.1 COCCC1=CC=C(C=C1)Br Z299596190 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.1 COCCC1=CC=C(C=C1)Cl Z1470894103 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [1,1,0,0,0,0|1,0,0]=3 489 B11R1.1 CSCCC1=CC=C(C=C1)N Z732207426 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.1 ClC1=CC=C(C=C1)OCCBr Z56926557 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.1 ClCCSC1=CC=C(C=C1)Cl Z55993025 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.1 FCCOC1=CC=C(C=C1)Br Z1269166672 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.1 N#CCCC1=CC=C(C=C1)N Z4750298565 [1,1,0,0,0,0|1,0,1]=4 494 B11R1.1 NC/C=C/C1=CC=C(C=C1)Br Z2235681463 [1,1,0,0,0,0|1,0,1]=4 495 B11R1.1 NC1=CC=C(C=C1)OCCF Z1262631146 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.1 NCC#CC1=CC=C(C=C1)I Z4775597113 [1,1,0,0,0,0|1,0,1]=4 498 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [1,1,0,0,0,0|1,0,0]=3 500 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [1,1,0,0,0,0|1,0,0]=3 501 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [1,1,0,0,0,0|0,0,0]=2 503 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [1,1,0,0,0,0|0,0,0]=2 504 B11R1.1 NCCOC1=CC=C(C=C1)Br Z1262237188 [1,1,0,0,0,0|1,0,0]=3 505 B11R1.1 NCCOC1=CC=C(C=C1)Cl Z85957193 [1,1,0,0,0,0|1,0,0]=3 506 B11R1.1 NCCOC1=CC=C(C=C1)F Z87000937 [1,1,0,0,0,0|1,0,0]=3 507 B11R1.1 NCCOC1=CC=C(C=C1)I Z381428104 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.1 NCCOC1=NC=C(C=C1)Cl Z1421528823 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.1 NCCSC1=CC=C(C=C1)Br Z262221984 [1,1,0,0,0,0|1,0,0]=3 510 B11R1.1 NCCSC1=CC=C(C=C1)Cl Z54751093 [1,1,0,0,0,0|1,0,0]=3 511 B11R1.1 NCCSC1=CC=C(C=C1)F Z1267773811 [1,1,0,0,0,0|1,0,0]=3 512 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.1 OC/C=C/C1=CC=C(C=C1)O Z2235811101 [1,1,0,0,0,0|1,0,1]=4 516 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.1 OCCNC1=CC=C(C=C1)Br Z335275406 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.1 OCCOC1=CC=C(C=C1)Br Z335092354 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [1,1,0,0,0,0|1,0,0]=3 520 B11R1.1 OCCSC1=CC=C(C=C1)Br Z149190682 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.1 OCCSC1=CC=C(C=C1)Cl Z149162370 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.20 CC(C)CC1=CC=C(C=C1)N Z1463350056 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [1,1,0,0,0,0|0,0,0]=2 524 B11R1.20 CC1=CC=C(C=C1)CC(=N)N Z3244909870 [1,1,0,0,0,0|1,0,1]=4 525 B11R1.20 N=C(N)CC1=CC=C(C=C1)Br Z1518844582 [1,1,0,0,0,0|1,0,1]=4 526 B11R1.20 N=C(N)CC1=CC=C(C=C1)F Z415636754 [1,1,0,0,0,0|1,0,1]=4 527 B11R1.20 NC(=O)CC1=CC=C(C=C1)Br Z33546958 [1,1,0,0,0,0|1,0,1]=4 528 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl Z33546677 [1,1,0,0,0,0|1,0,1]=4 529 B11R1.20 NC(=O)CC1=CC=C(C=C1)F Z33546755 [1,1,0,0,0,0|1,0,1]=4 530 B11R1.20 NC(=O)CC1=CC=C(C=C1)N Z234895133 [1,1,0,0,0,0|1,0,1]=4 531 B11R1.20 NC(=S)CC1=CC=C(C=C1)F Z285131734 [1,1,0,0,0,0|1,0,1]=4 532 B11R1.81 CC1=C(C=CC(=C1)F)CCN Z959351734 [1,1,0,0,0,0|1,0,0]=3 533 B11R1.81 CC1=CC(=C(C=C1)CCN)Br Z4658970056 [1,1,0,0,0,0|1,0,0]=3 534 B11R1.81 CC1=CC(=C(C=C1)CCN)C Z285143724 [1,1,0,0,0,0|1,0,0]=3 535 B11R1.81 CC1=CC(=C(C=C1)CCN)Cl Z5010254329 [1,1,0,0,0,0|1,0,0]=3 536 B11R1.81 COCC1=C(C=C(C=C1)O)F Z1551937213 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.81 NC1=CC(=C(C=C1)CCO)F Z1255436579 [1,1,0,0,0,0|2,0,0]=4 538 B11R1.81 NCCC1=C(C=C(C=C1)Br)Cl Z4668045321 [1,1,0,0,0,0|1,0,0]=3 539 B11R1.81 NCCC1=C(C=C(C=C1)Br)F Z405046450 [1,1,0,0,0,0|1,0,0]=3 540 B11R1.81 NCCC1=C(C=C(C=C1)Cl)Br Z2941505410 [1,1,0,0,0,0|1,0,0]=3 541 B11R1.81 NCCC1=C(C=C(C=C1)F)Cl Z1267881686 [1,1,0,0,0,0|1,0,0]=3 542 B11R1.81 NCCC1=C(C=C(C=C1)F)F Z285143768 [1,1,0,0,0,0|1,0,0]=3 543 B11R1.81 NCCC1=C(C=C(C=C1)O)O Z1166113553 [1,1,0,0,0,0|0,0,0]=2 544 B11R1.81 NCCC1=C(C=C(C=N1)F)F Z3024735908 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.81 NNCC1=C(C=C(C=C1)Cl)Cl Z367452298 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.81 NOCC1=C(C=C(C=C1)F)Br Z1318533831 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.81 OCCC1=C(C=C(C=C1)F)F Z1020790240 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.81 OCCC1=C(C=C(C=C1)O)O Z1513827466 [1,1,0,0,0,0|1,0,0]=3 549 B11R1.83 C#CC1=CC=C(C=C1)CCN Z4634952920 [1,1,0,0,0,0|1,0,0]=3 550 B11R1.83 CCC1=CC=C(C=C1)CCN Z285143808 [1,1,0,0,0,0|1,0,0]=3 551 B11R1.83 CCC1=CC=C(C=C1)CCO Z992949606 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.83 CCCC1=CC=C(C=C1)C=O Z147641436 [1,1,0,0,0,0|1,0,1]=4 553 B11R1.83 CCNC1=CC=C(C=C1)OC Z286371004 [1,1,0,0,0,0|2,0,0]=4 554 B11R1.83 CNCC1=CC=C(C=C1)CO Z5435726703 [1,1,0,0,0,0|2,0,0]=4 555 B11R1.83 CNCC1=CC=C(C=C1)OC Z56928625 [1,1,0,0,0,0|2,0,0]=4 556 B11R1.83 COC1=CC=C(C=C1)CC#N Z104476452 [1,1,0,0,0,0|0,0,2]=4 557 B11R1.83 COC1=CC=C(C=C1)CC=O Z993017620 [1,1,0,0,0,0|1,0,1]=4 558 B11R1.83 COC1=CC=C(C=C1)CCN Z104476454 [1,1,0,0,0,0|0,0,0]=2 559 B11R1.83 COCC1=CC=C(C=C1)CO Z1255394253 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.83 N#CC1=CC=C(C=C1)CCN Z1741971794 [1,1,0,0,0,0|1,0,0]=3 561 B11R1.83 N#CC1=CC=C(C=C1)CCO Z964982550 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.83 NCCC1=CC=C(C=C1)CO Z3243654196 [1,1,0,0,0,0|0,0,0]=2 563 B11R1.83 O=CC1=CC=C(C=C1)CCF Z1813165432 [1,1,0,0,0,0|1,0,1]=4 564 B11R1.192 CC1=C(C=C(C=C1)CCN)C Z2526366647 [1,1,0,0,0,0|1,0,0]=3 565 B11R1.192 CC1=C(C=C(C=C1)CCN)Cl Z4330614334 [1,1,0,0,0,0|1,0,0]=3 566 B11R1.192 CC1=C(C=CC(=C1)CC#N)O Z1255368240 [1,1,0,0,0,0|0,0,2]=4 567 B11R1.192 CC1=C(C=CC(=C1)CCN)Br Z1269233616 [1,1,0,0,0,0|1,0,0]=3 568 B11R1.192 CC1=C(C=CC(=C1)CCN)Cl Z1198178622 [1,1,0,0,0,0|1,0,0]=3 569 B11R1.192 CC1=C(C=CC(=C1)CCN)F Z1682072426 [1,1,0,0,0,0|1,0,0]=3 570 B11R1.192 NCCC1=CC(=C(C=C1)Br)Cl Z5222342336 [1,1,0,0,0,0|1,0,0]=3 571 B11R1.192 NCCC1=CC(=C(C=C1)Cl)Cl Z285143770 [1,1,0,0,0,0|1,0,0]=3 572 B11R1.192 NCCC1=CC(=C(C=C1)Cl)F Z2681241887 [1,1,0,0,0,0|1,0,0]=3 573 B11R1.192 NCCC1=CC(=C(C=C1)F)Br Z752370708 [1,1,0,0,0,0|1,0,0]=3 574 B11R1.192 NCCC1=CC(=C(C=C1)F)Cl Z4607148848 [1,1,0,0,0,0|1,0,0]=3 575 B11R1.192 NCCC1=CC(=C(C=C1)F)F Z1695670002 [1,1,0,0,0,0|1,0,0]=3 576 B11R1.192 NCCC1=CC(=C(C=C1)O)O Z104474032 [1,1,0,0,0,0|0,0,0]=2 577 B11R1.192 OCCC1=CC(=C(C=C1)Br)F Z1450935429 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.192 OCCC1=CC(=C(C=C1)F)F Z1020788674 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.192 OCCC1=CC(=C(C=C1)O)Cl Z1250886915 [1,1,0,0,0,0|1,0,0]=3 580 B11R1.3 CC(C)C1=CC=C(C=C1)C#N Z56964596 [1,1,0,0,0,0|2,0,0]=4 581 B11R1.3 CC(C)C1=CC=C(C=C1)C=O Z104476006 [1,1,0,0,0,0|1,0,1]=4 582 B11R1.3 CC(C)C1=CC=C(C=C1)CN Z54845985 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.3 CC(C)C1=CC=C(C=C1)CO Z56347221 [1,1,0,0,0,0|1,0,0]=3 584 B11R1.3 CC(N)C1=CC=C(C=C1)C#N Z381061562 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.3 CC(N)C1=CC=C(C=C1)CN Z2063791526 [1,1,0,0,0,0|2,0,0]=4 586 B11R1.3 CC(O)C1=CC=C(C=C1)C#N Z335245074 [1,1,0,0,0,0|1,0,0]=3 587 B11R1.3 CCC1=CC=C(C=C1)C(C)N Z56347251 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.3 CCC1=CC=C(C=C1)[C@H](C)N Z1536943321 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.3 CN(C)C1=CC=C(C=C1)CO Z228585234 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.3 CNC1=CC=C(C=C1)C(C)C Z1431904364 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.3 COC1=CC=C(C=C1)B(O)O Z336079536 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.3 COC1=CC=C(C=C1)C(=N)N Z228583094 [1,1,0,0,0,0|1,0,1]=4 593 B11R1.3 COC1=CC=C(C=C1)C(=O)C Z53832960 [1,1,0,0,0,0|0,0,2]=4 594 B11R1.3 COC1=CC=C(C=C1)C(=O)N Z33546492 [1,1,0,0,0,0|0,0,2]=4 595 B11R1.3 COC1=CC=C(C=C1)C(=O)O Z56931884 [1,1,0,0,0,0|1,0,1]=4 596 B11R1.3 COC1=CC=C(C=C1)C(=S)N Z56964598 [1,1,0,0,0,0|0,1,1]=4 597 B11R1.3 COC1=CC=C(C=C1)C(C)O Z335245134 [1,1,0,0,0,0|0,0,0]=2 598 B11R1.3 COC1=CC=C(C=C1)N(C)C Z57243982 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O Z360055358 [1,1,0,0,0,0|0,0,0]=2 600 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O Z360055354 [1,1,0,0,0,0|0,0,0]=2 601 B11R1.3 COC1=NC=C(C=C1)C(C)N Z3083124760 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.3 CSC1=CC=C(C=C1)C(C)N Z425449608 [1,1,0,0,0,0|1,1,0]=4 603 B11R1.3 NC(=O)C1=CC=C(C=C1)CO Z33545420 [1,1,0,0,0,0|0,0,2]=4 604 B11R1.3 O=C(O)C1=CC=C(C=C1)CO Z56917404 [1,1,0,0,0,0|1,0,1]=4 605 B11R1.3 OCC1=CC=C(C=C1)B(O)O Z1203162320 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br Z299596150 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.19 CC(C)(C)C1=CC=C(C=C1)N Z104473848 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O Z57127886 [1,1,0,0,0,0|1,0,0]=3 609 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Br Z406678874 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Cl Z449374202 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.19 CC(C)(N)C1=CC=C(C=C1)F Z449374056 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.19 CC(C)(N)C1=CC=C(C=C1)I Z5225137620 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.19 CC(C)(O)C1=CC=C(C=C1)Br Z449374220 [1,1,0,0,0,0|1,0,0]=3 614 B11R1.19 CC(C)(O)C1=CC=C(C=C1)O Z1198750150 [1,1,0,0,0,0|0,0,0]=2 615 B11R1.19 CC1=NC=C(C=C1)C(C)(C)O Z1095367298 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)O Z147646800 [1,1,0,0,0,0|1,0,1]=4 617 B11R1.19 NS(=O)(=O)C1=CC=C(C=C1)O Z360053740 [1,1,0,0,0,0|1,0,1]=4 618 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)O Z2583059497 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.19 OC1=CC=C(C=C1)C(F)(F)F Z56347220 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Br Z1037557930 [1,1,0,0,0,0|0,0,2]=4 621 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)C Z57221419 [1,1,0,0,0,0|0,0,2]=4 622 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Cl Z57905816 [1,1,0,0,0,0|0,0,2]=4 623 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)F Z385458772 [1,1,0,0,0,0|0,0,2]=4 624 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)N Z1664347745 [1,1,0,0,0,0|0,0,2]=4 625 B11R1.21 CC(Br)C1=CC(=C(C=C1)Cl)Cl Z381392948 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.21 CC(Br)C1=CC(=C(C=C1)F)Cl Z381393046 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.21 CC(C)C1=CC(=C(C=C1)F)N Z4722235861 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.21 CC(C)C1=CC(=C(C=C1)N)Cl Z1262643307 [1,1,0,0,0,0|2,0,0]=4 629 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N Z1198154332 [1,1,0,0,0,0|2,0,0]=4 630 B11R1.21 CC(C)C1=CC(=C(C=C1)O)N Z57441596 [1,1,0,0,0,0|1,0,0]=3 631 B11R1.21 CC(N)C1=CC(=C(C=C1)Br)F Z3213740225 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.21 CC(N)C1=CC(=C(C=C1)Br)O Z1551939587 [1,1,0,0,0,0|2,0,0]=4 633 B11R1.21 CC(N)C1=CC(=C(C=C1)Cl)Cl Z56347253 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.21 CC(N)C1=CC(=C(C=C1)Cl)F Z1198724032 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.21 CC(N)C1=CC(=C(C=C1)F)Cl Z335437988 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.21 CC(N)C1=CC(=C(C=C1)O)O Z4958589100 [1,1,0,0,0,0|1,0,0]=3 637 B11R1.21 CC(O)C1=CC(=C(C=C1)Br)F Z1436188584 [1,1,0,0,0,0|1,0,0]=3 638 B11R1.21 CC(O)C1=CC(=C(C=C1)Cl)Cl Z335245002 [1,1,0,0,0,0|1,0,0]=3 639 B11R1.21 CC(O)C1=CC(=C(C=C1)F)Cl Z335438560 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.21 CC(O)C1=CC(=C(C=C1)F)F Z228586306 [1,1,0,0,0,0|1,0,0]=3 641 B11R1.21 CC1=C(C=C(C=C1)C(C)C)O Z104496566 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.21 CC1=C(C=C(C=C1)C(C)N)C Z285186052 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.21 CC1=C(C=C(C=C1)C(C)N)F Z363990474 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.21 CC1=C(C=C(C=C1)[C@@H](C)O)C Z360055396 [1,1,0,0,0,0|1,0,0]=3 645 B11R1.21 CC1=C(C=C(C=C1)[C@H](C)O)C Z360055400 [1,1,0,0,0,0|1,0,0]=3 646 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O Z995149794 [1,1,0,0,0,0|1,0,1]=4 647 B11R1.21 CC1=C(C=CC(=C1)C(C)N)F Z1359429587 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.21 CC1=C(C=CC(=C1)N(C)C)O Z4988450441 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.21 C[C@@H](N)C1=CC(=C(C=C1)F)Br Z1696091701 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.21 C[C@@H](N)C1=CC(=C(C=C1)F)Cl Z1127664214 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)Cl)Cl Z360055342 [1,1,0,0,0,0|1,0,0]=3 652 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)F)Cl Z1127664454 [1,1,0,0,0,0|1,0,0]=3 653 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)F)F Z360055916 [1,1,0,0,0,0|1,0,0]=3 654 B11R1.21 C[C@H](N)C1=CC(=C(C=C1)Cl)Cl Z1962166972 [1,1,0,0,0,0|2,0,0]=4 655 B11R1.21 C[C@H](N)C1=CC(=C(C=C1)F)Br Z360056272 [1,1,0,0,0,0|2,0,0]=4 656 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)Cl)Cl Z360055344 [1,1,0,0,0,0|1,0,0]=3 657 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)Br Z360056260 [1,1,0,0,0,0|1,0,0]=3 658 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)Cl Z1127664340 [1,1,0,0,0,0|1,0,0]=3 659 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)F Z360055912 [1,1,0,0,0,0|1,0,0]=3 660 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)Cl Z68591301 [1,1,0,0,0,0|0,0,2]=4 661 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)F Z1255448698 [1,1,0,0,0,0|0,0,2]=4 662 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)O Z1198152898 [1,1,0,0,0,0|0,0,2]=4 663 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)Br Z57985393 [1,1,0,0,0,0|1,0,1]=4 664 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)Cl Z104503564 [1,1,0,0,0,0|1,0,1]=4 665 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)F Z57073754 [1,1,0,0,0,0|1,0,1]=4 666 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)O Z104501142 [1,1,0,0,0,0|1,0,1]=4 667 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)C Z1255386683 [1,1,0,0,0,0|0,0,2]=4 668 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl Z1222422341 [1,1,0,0,0,0|0,0,2]=4 669 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F Z1123826135 [1,1,0,0,0,0|0,0,2]=4 670 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)O Z57101026 [1,1,0,0,0,0|0,0,2]=4 671 B11R1.166 CC(C)C1=C(C=C(C=C1)Br)F Z1486025406 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.166 CC(C)C1=C(C=C(C=C1)F)N Z4697442277 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.166 CC(C)C1=C(C=C(C=C1)N)F Z1262668944 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.166 CC(C)C1=C(C=C(C=C1)N)N Z1198148869 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.166 CC(N)C1=C(C=C(C=C1)Br)F Z1269138850 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.166 CC(N)C1=C(C=C(C=C1)Cl)Cl Z55928863 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.166 CC(N)C1=C(C=C(C=C1)Cl)F Z4502817384 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.166 CC(N)C1=C(C=C(C=C1)F)Cl Z446021018 [1,1,0,0,0,0|2,0,0]=4 679 B11R1.166 CC(N)C1=C(C=C(C=C1)F)F Z56347428 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.166 CC(O)C1=C(C=C(C=C1)Br)F Z1171210737 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.166 CC(O)C1=C(C=C(C=C1)Cl)Cl Z335245158 [1,1,0,0,0,0|1,0,0]=3 682 B11R1.166 CC(O)C1=C(C=C(C=C1)F)F Z228586308 [1,1,0,0,0,0|1,0,0]=3 683 B11R1.166 CC1=C(C=CC(=C1)Br)C(C)C Z1861997013 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)N Z1255467737 [1,1,0,0,0,0|0,0,2]=4 685 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O Z1255361025 [1,1,0,0,0,0|1,0,1]=4 686 B11R1.166 CC1=C(C=CC(=C1)O)C(C)C Z104476618 [1,1,0,0,0,0|1,0,0]=3 687 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O Z57127464 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.166 CC1=CC(=C(C=C1)[C@@H](C)O)C Z360055782 [1,1,0,0,0,0|1,0,0]=3 689 B11R1.166 CC1=CC(=C(C=C1)[C@H](C)N)C Z1217910494 [1,1,0,0,0,0|2,0,0]=4 690 B11R1.166 CC1=CC(=C(C=C1)[C@H](C)O)C Z360055778 [1,1,0,0,0,0|1,0,0]=3 691 B11R1.166 C[C@@H](N)C1=C(C=C(C=C1)Cl)Cl Z1889710318 [1,1,0,0,0,0|2,0,0]=4 692 B11R1.166 C[C@@H](N)C1=C(C=C(C=C1)F)Cl Z360056252 [1,1,0,0,0,0|2,0,0]=4 693 B11R1.166 C[C@@H](N)C1=C(C=C(C=C1)F)F Z1366975561 [1,1,0,0,0,0|2,0,0]=4 694 B11R1.166 C[C@@H](O)C1=C(C=C(C=C1)F)Cl Z360056250 [1,1,0,0,0,0|1,0,0]=3 695 B11R1.166 C[C@@H](O)C1=C(C=C(C=C1)F)F Z360055930 [1,1,0,0,0,0|1,0,0]=3 696 B11R1.166 C[C@H](N)C1=C(C=C(C=C1)F)F Z1366975537 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.166 C[C@H](O)C1=C(C=C(C=C1)F)Cl Z360056244 [1,1,0,0,0,0|1,0,0]=3 698 B11R1.166 C[C@H](O)C1=C(C=C(C=C1)F)F Z360055924 [1,1,0,0,0,0|1,0,0]=3 699 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)F Z1201620915 [1,1,0,0,0,0|1,0,1]=4 700 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)O Z104502292 [1,1,0,0,0,0|1,0,1]=4 701 B11R1.7 CC(C)(CN)C1=CC=CC=C1 Z291234238 [1,1,0,0,0,0|1,0,0]=3 702 B11R1.7 CC(C)(CN)C1=CN=CC=C1 Z1255424681 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.7 CC(C)(CO)C1=CC=CC=C1 Z397587218 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.7 CC(F)(CN)C1=CC=CC=C1 Z2768234774 [1,1,0,0,0,0|1,0,0]=3 705 B11R1.7 CC(N)(CO)C1=CC=CC=C1 Z734150992 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.7 CC(O)(CN)C1=CC=CC=C1 Z979721628 [1,1,0,0,0,0|0,0,0]=2 707 B11R1.7 CCC(C)(N)C1=CC=CC=C1 Z449373366 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.7 CCC(C)(O)C1=CC=CC=C1 Z449373348 [1,1,0,0,0,0|1,0,0]=3 709 B11R1.7 NCC(F)(F)C1=CC=CC=C1 Z2168499583 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.7 NCC(F)(F)C1=NC=CC=C1 Z1198184449 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.12 CCC(C=O)C1=CC=CC=C1 Z1079132778 [1,1,0,0,0,0|1,0,1]=4 712 B11R1.12 CCC(CN)C1=CC=CC=C1 Z85956799 [1,1,0,0,0,0|1,0,0]=3 713 B11R1.12 CCC(CO)C1=CC=CC=C1 Z397587442 [1,1,0,0,0,0|1,0,0]=3 714 B11R1.12 CNC(CO)C1=CC=CC=C1 Z734147276 [1,1,0,0,0,0|2,0,0]=4 715 B11R1.12 COC(CN)C1=CC=CC=C1 Z285139084 [1,1,0,0,0,0|0,0,0]=2 716 B11R1.12 NCC(CO)C1=CC=CC=C1 Z1198168251 [1,1,0,0,0,0|0,0,0]=2 717 B11R1.12 OCC(CO)C1=CC=CC=C1 Z1255395467 [1,1,0,0,0,0|1,0,0]=3 718 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [1,1,0,0,0,0|1,0,0]=3 719 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [1,1,0,0,0,0|1,0,1]=4 720 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [1,1,0,0,0,0|2,0,0]=4 721 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [1,1,0,0,0,0|1,0,0]=3 722 B11R1.16 CN(CCN)C1=CC=CC=C1 Z154669318 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [1,1,0,0,0,0|1,0,0]=3 724 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [1,1,0,0,0,0|1,0,1]=4 727 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [1,1,0,0,0,0|2,0,0]=4 728 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [1,1,0,0,0,0|0,0,0]=2 729 B11R1.16 NCCS(=O)C1=CC=CC=C1 Z1266854955 [1,1,0,0,0,0|1,0,1]=4 730 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [1,1,0,0,0,0|1,0,0]=3 731 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [1,1,0,0,0,0|1,0,0]=3 732 B11R1.23 CC(CN)C1=CC(=CC=C1)Br Z5094147873 [1,1,0,0,0,0|1,0,0]=3 733 B11R1.23 CC(CN)C1=CC(=CC=C1)F Z415654914 [1,1,0,0,0,0|1,0,0]=3 734 B11R1.23 CC(CN)C1=CC=CC(=O)N1 Z4656721256 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.23 CC(CO)C1=CC(=CC=C1)Br Z1269177166 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.23 CC(CO)C1=CC(=CC=C1)Cl Z1222424631 [1,1,0,0,0,0|2,0,0]=4 737 B11R1.23 CC1=CC(=CC=C1)C(=O)CN Z3026469451 [1,1,0,0,0,0|0,0,2]=4 738 B11R1.23 CC1=CC(=CC=C1)C(O)CN Z336086464 [1,1,0,0,0,0|0,0,0]=2 739 B11R1.23 CCC(N)C1=CC(=CC=C1)Cl Z239627026 [1,1,0,0,0,0|2,0,0]=4 740 B11R1.23 CCC(N)C1=CC(=CC=C1)O Z4164634595 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.23 CCC(O)C1=CC(=CC=C1)Br Z228586280 [1,1,0,0,0,0|1,0,0]=3 742 B11R1.23 CCC(O)C1=CC(=CC=C1)Cl Z335245132 [1,1,0,0,0,0|1,0,0]=3 743 B11R1.23 CCC(O)C1=CC(=CC=C1)N Z1262626036 [1,1,0,0,0,0|1,0,0]=3 744 B11R1.23 NC(CF)C1=CC(=CC=C1)Br Z3210128314 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.23 NC(CF)C1=CC(=CC=C1)Cl Z3445798142 [1,1,0,0,0,0|2,0,0]=4 746 B11R1.23 NC(CF)C1=CC(=CC=C1)F Z3681214901 [1,1,0,0,0,0|2,0,0]=4 747 B11R1.23 NC(CO)C1=CC(=CC=C1)Br Z1438483917 [1,1,0,0,0,0|2,0,0]=4 748 B11R1.23 NC(CO)C1=CC(=CC=C1)Cl Z1695784092 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.23 NC(CO)C1=CC(=CC=C1)F Z1268152384 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.23 NC(CO)C1=CC(=CC=C1)I Z3605387233 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.23 NC(CO)C1=CC(=CC=C1)O Z3247611804 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.23 NC1=CC(=CC=C1)C(O)CO Z970072128 [1,1,0,0,0,0|1,0,0]=3 753 B11R1.23 NCC(=O)C1=CC(=CC=C1)Br Z275368900 [1,1,0,0,0,0|0,0,2]=4 754 B11R1.23 NCC(=O)C1=CC(=CC=C1)Cl Z1741966377 [1,1,0,0,0,0|0,0,2]=4 755 B11R1.23 NCC(=O)C1=CC(=CC=C1)F Z3025863838 [1,1,0,0,0,0|0,0,2]=4 756 B11R1.23 NCC(O)C1=CC(=CC=C1)Cl Z330910384 [1,1,0,0,0,0|0,0,0]=2 757 B11R1.23 NCC(O)C1=CC(=CC=C1)O Z3041501762 [1,1,0,0,0,0|0,0,0]=2 758 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [1,1,0,0,0,0|1,0,1]=4 759 B11R1.36 CC(C)C(O)C1=NC=CC=C1 Z513749462 [1,1,0,0,0,0|2,0,0]=4 760 B11R1.36 CC(N)C(C)C1=CC=CC=C1 Z1203578901 [1,1,0,0,0,0|1,0,0]=3 761 B11R1.36 CC(N)C(O)C1=CC=NC=C1 Z1263602353 [1,1,0,0,0,0|1,0,0]=3 762 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [1,1,0,0,0,0|2,0,0]=4 763 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 Z57069256 [1,1,0,0,0,0|1,0,1]=4 764 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 Z57204607 [1,1,0,0,0,0|1,0,1]=4 765 B11R1.36 NC(C1=CC=CC=C1)C(F)F Z2211231766 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [1,1,0,0,0,0|1,0,1]=4 767 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [1,1,0,0,0,0|1,0,1]=4 768 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [1,1,0,0,0,0|1,0,1]=4 769 B11R1.222 CC1=C(C=CC=C1)C(=O)CN Z1741966378 [1,1,0,0,0,0|0,0,2]=4 770 B11R1.222 CC1=C(C=CC=C1)C(N)CF Z3092528504 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.222 CC1=C(C=CC=C1)C(N)CO Z385458414 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.222 CC1=C(C=CC=C1)C(O)CN Z336086534 [1,1,0,0,0,0|0,0,0]=2 773 B11R1.222 CCC(N)C1=C(C=CC=C1)Br Z851790482 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.222 CCC(N)C1=C(C=CC=C1)O Z1266854970 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.222 NC(CF)C1=C(C=CC=C1)Br Z4444282330 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.222 NC(CO)C1=C(C=CC=C1)F Z1268152413 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.222 NC(CO)C1=C(C=CC=C1)I Z2941400807 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.222 NCC(=O)C1=C(C=CC=C1)Br Z1262691661 [1,1,0,0,0,0|0,0,2]=4 779 B11R1.222 NCC(=O)C1=C(C=CC=C1)Cl Z1695906936 [1,1,0,0,0,0|0,0,2]=4 780 B11R1.222 NCC(=O)C1=C(C=CC=C1)F Z1741977084 [1,1,0,0,0,0|0,0,2]=4 781 B11R1.222 NCC(O)C1=C(C=CC=C1)Cl Z1255523275 [1,1,0,0,0,0|0,0,0]=2 782 B11R1.6 CC1=CC=C(O1)C(C)(O)CN Z1251333047 [0,1,0,0,1,0|2,0,0]=4 783 B13R1.5 COC1=CC=C(C=C1)CC(C)CN Z992310982 [0,1,0,0,0,1|1,0,0]=3 784 B13R1.5 COC1=CC=C(C=C1)NC(=O)CN Z46280202 [0,1,0,0,0,1|0,0,2]=4 785 B13R1.5 COC1=CC=C(C=C1)OC(C)CN Z844632002 [0,1,0,0,0,1|1,0,0]=3 786 B13R1.19 CNCC(=O)NC1=CC=C(C=C1)O Z1162448845 [0,1,0,0,0,1|0,0,2]=4 787 B13R1.133 CC(C)C(O)CC1=CC=C(C=C1)F Z513750262 [0,1,0,0,0,1|2,0,0]=4 788 B13R1.133 CC(OC1=CC=C(C=C1)O)C(=O)N Z381414584 [0,1,0,0,0,1|1,0,1]=4 789 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [0,1,0,0,0,1|1,0,1]=4 790 B13R1.145 NCC(CO)CC1=CC=C(C=C1)Br Z1860991556 [0,1,0,0,0,1|1,0,0]=3 791 B13R1.145 NCC(CO)CC1=CC=C(C=C1)Cl Z1324055647 [0,1,0,0,0,1|1,0,0]=3 792 B13R1.145 NCC(CO)CC1=CC=C(C=C1)F Z285055048 [0,1,0,0,0,1|1,0,0]=3 793 B13R1.249 CC(C)(CN)SC1=CC=C(C=C1)Br Z1262327704 [0,1,0,0,0,1|2,0,0]=4 794 B13R1.249 NCC(F)(F)OC1=CC=C(C=C1)Br Z4173258004 [0,1,0,0,0,1|2,0,0]=4 795 B13R1.2679 CC1=CC(=C(C=C1)CC(O)CN)C Z1255405058 [0,1,0,0,0,1|1,0,0]=3 796 B13R1.2679 NCC(O)CC1=C(C=C(C=C1)F)F Z1694636386 [0,1,0,0,0,1|1,0,0]=3 797 B13R1.36 COC1=CC=C(C=C1)C(N)C(C)C Z99599002 [0,2,0,0,0,0|2,0,0]=4 798 B13R1.36 COC1=CC=C(C=C1)C(N)C(C)O Z3037763603 [0,2,0,0,0,0|2,0,0]=4 799 B13R1.36 COC1=CC=C(C=C1)C(N)C(F)F Z3377874365 [0,2,0,0,0,0|2,0,0]=4 800 B13R1.36 COC1=CC=C(C=C1)C(O)C(C)N Z1526453885 [0,2,0,0,0,0|0,0,0]=2 801 B13R1.39 CCC(C=O)C1=CC=C(C=C1)OC Z1255400148 [0,2,0,0,0,0|1,0,1]=4 802 B13R1.39 CNC(CO)C1=CC=C(C=C1)OC Z734147394 [0,2,0,0,0,0|2,0,0]=4 803 B13R1.39 COC1=CC=C(C=C1)C(CN)OC Z4261448724 [0,2,0,0,0,0|0,0,0]=2 804 B13R1.187 CCC(C)(C)C1=CC=C(C=C1)CO Z1251414985 [0,2,0,0,0,0|2,0,0]=4 805 B13R1.187 CCC1=CC=C(C=C1)C(C)(C)CN Z1255437096 [0,2,0,0,0,0|2,0,0]=4 806 B13R1.187 COC1=CC=C(C=C1)C(C)(C)CN Z1262246198 [0,2,0,0,0,0|1,0,0]=3 807 B13R1.187 COC1=CC=C(C=C1)C(C)(O)CN Z3244870706 [0,2,0,0,0,0|0,0,0]=2 808 B13R1.452 CCCC(N)C1=CC=C(C=C1)OC Z1509094932 [0,2,0,0,0,0|2,0,0]=4 809 B13R1.452 COC1=CC=C(C=C1)C(C)CCN Z851015012 [0,2,0,0,0,0|1,0,0]=3 810 B13R1.537 CC(CN)C1=CC=C(C=C1)[N+](=O)[O-] Z478193320 [0,2,0,0,0,0|1,0,1]=4 811 B13R1.537 CCC(C)C1=CC=C(C=C1)B(O)O Z381541044 [0,2,0,0,0,0|2,0,0]=4 812 B13R1.537 CCC(C)C1=CC=C(C=C1)C(=O)O Z285150268 [0,2,0,0,0,0|2,0,0]=4 813 B13R1.537 NCC(O)C1=CC=C(C=C1)[N+](=O)[O-] Z235472504 [0,2,0,0,0,0|0,0,1]=3 814 B13R1.537 O=C(O)C1=CC=C(C=C1)C(O)CF Z3003535596 [0,2,0,0,0,0|1,0,0]=3 815 B13R1.29 CNCC(C)(C)C1=CC=C(C=C1)C Z992942426 [0,2,0,0,0,0|2,0,0]=4 816 B13R1.272 CC(C)(CN)C1=CC(=C(C=C1)Cl)Cl Z725146602 [0,2,0,0,0,0|2,0,0]=4 817 B13R1.272 CCC(C)(C)C1=CC(=C(C=C1)O)Cl Z1198147677 [0,2,0,0,0,0|2,0,0]=4 818 B13R1.272 NCC(F)(F)C1=CC(=C(C=C1)Cl)Cl Z3786926754 [0,2,0,0,0,0|2,0,0]=4 819 B13R1.710 CC1=CC=C(C=C1)C(C)(CN)CO Z5050028531 [0,2,0,0,0,0|1,0,0]=3 820 B13R1.710 CCC(C)(CC)C1=CC=C(C=C1)O Z1255368329 [0,2,0,0,0,0|2,0,0]=4 821 B13R1.710 CCC(O)(CN)C1=CC=C(C=C1)Br Z1020684308 [0,2,0,0,0,0|1,0,0]=3 822 B13R1.4183 CC(C)(CN)C1=C(C=C(C=C1)Br)Cl Z1813168755 [0,2,0,0,0,0|2,0,0]=4 823 B13R1.4183 CC(C)(CN)C1=C(C=C(C=C1)F)Br Z5384940106 [0,2,0,0,0,0|2,0,0]=4 824 B13R1.4183 CC(C)(CN)C1=C(C=C(C=C1)F)Cl Z1080447132 [0,2,0,0,0,0|2,0,0]=4 825 B13R1.4183 CC(O)(CN)C1=C(C=C(C=C1)F)F Z1267881673 [0,2,0,0,0,0|1,0,0]=3 826 B13R1.4183 CC1=CC(=C(C=C1)C(C)(C)CN)C Z1255459793 [0,2,0,0,0,0|2,0,0]=4 827 B13R1.4183 CC1=CC(=C(C=C1)C(F)(F)CN)C Z3295001604 [0,2,0,0,0,0|2,0,0]=4 828 B13R1.331 COC(CO)C1=CC(=C(C=C1)O)O Z1278927336 [0,2,0,0,0,0|1,0,0]=3 829 B13R1.706 CC(C)C(CN)C1=CC=C(C=C1)Cl Z1198338118 [0,2,0,0,0,0|2,0,0]=4 830 B13R1.706 CC1=CC=C(C=C1)C(CN)N(C)C Z228574228 [0,2,0,0,0,0|2,0,0]=4 831 B13R1.706 CCC(C(=O)O)C1=CC=C(C=C1)Cl Z982129852 [0,2,0,0,0,0|2,0,0]=4 832 B13R1.706 CCC(C(=O)O)C1=CC=C(C=C1)F Z792377316 [0,2,0,0,0,0|2,0,0]=4 833 B13R1.706 COC(C(=O)O)C1=CC=C(C=C1)O Z1262556696 [0,2,0,0,0,0|1,0,1]=4 834 B13R1.706 COC(C1=CC=C(C=C1)F)C(C)N Z1592042577 [0,2,0,0,0,0|1,0,0]=3 835 B13R1.706 NCC(C(=O)O)C1=CC=C(C=C1)Cl Z3244719959 [0,2,0,0,0,0|1,0,0]=3 836 B13R1.706 NCC(C(=O)O)C1=CC=C(C=C1)F Z3244719948 [0,2,0,0,0,0|1,0,0]=3 837 B13R1.706 O=C(O)C(CO)C1=CC=C(C=C1)Cl Z1508925263 [0,2,0,0,0,0|2,0,0]=4 838 B13R1.17 CCNCC(O)C1=CC=C(C=C1)C Z1020680862 [0,2,0,0,0,0|1,0,0]=3 839 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)O Z285197958 [0,2,0,0,0,0|0,0,2]=4 840 B13R1.17 OCCCC(O)C1=CC=C(C=C1)F Z1251359270 [0,2,0,0,0,0|2,0,0]=4 841 B13R1.132 CC(N)CC(O)C1=CC=C(C=C1)F Z1424669539 [0,2,0,0,0,0|1,0,0]=3 842 B13R1.132 CN(C)CC(N)C1=CC=C(C=C1)Cl Z1198218742 [0,2,0,0,0,0|2,0,0]=4 843 B13R1.132 NC(=O)C[C@@H](N)C1=CC=C(C=C1)Cl Z1346385388 [0,2,0,0,0,0|2,0,0]=4 844 B13R1.132 NC(=O)C[C@@H](N)C1=CC=C(C=C1)F Z1696091886 [0,2,0,0,0,0|2,0,0]=4 845 B13R1.132 NC(=O)C[C@H](N)C1=CC=C(C=C1)Cl Z756926884 [0,2,0,0,0,0|2,0,0]=4 846 B13R1.132 NC(=O)C[C@H](N)C1=CC=C(C=C1)F Z1696290104 [0,2,0,0,0,0|2,0,0]=4 847 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)Cl Z982132070 [0,2,0,0,0,0|2,0,0]=4 848 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)F Z982132094 [0,2,0,0,0,0|2,0,0]=4 849 B13R1.466 CNCC(O)C1=CC(=C(C=C1)O)C Z1262591397 [0,2,0,0,0,0|0,0,0]=2 850 B13R1.466 CNC[C@@H](O)C1=CC(=C(C=C1)O)O Z1198154207 [0,2,0,0,0,0|0,0,0]=2 851 B13R1.466 CNC[C@H](O)C1=CC(=C(C=C1)O)O Z1255449978 [0,2,0,0,0,0|0,0,0]=2 852 B13R1.466 NCCC(O)C1=CC(=C(C=C1)Cl)Cl Z1258890570 [0,2,0,0,0,0|1,0,0]=3 853 B13R1.163 CC(N)C(O)C1=C(C=C(C=C1)Cl)Cl Z1695797889 [0,2,0,0,0,0|1,0,0]=3 854 B13R1.510 CC(N)C(O)C1=CC(=C(C=C1)F)F Z1342208384 [0,2,0,0,0,0|1,0,0]=3 855 B13R1.510 CC1=C(C=CC(=C1)C(O)C(C)N)F Z4133752082 [0,2,0,0,0,0|1,0,0]=3 856 B13R1.525 CC1=CC=C(C=C1)C(O)C(F)(F)F Z188898086 [0,2,0,0,0,0|2,0,0]=4 857 B13R1.525 NC1=CC=C(C=C1)C(O)C(F)(F)F Z1262623728 [0,2,0,0,0,0|2,0,0]=4 858 B13R1.525 OC(C1=CC=C(C=C1)Br)C(F)(F)F Z756121412 [0,2,0,0,0,0|2,0,0]=4 859 B13R1.49 CCC(C)C1=CC(=C(C=C1)O)C=O Z1198159909 [0,2,0,0,0,0|2,0,0]=4 860 B13R1.49 COC1=C(C=CC(=C1)C(=O)CN)O Z4654934301 [0,2,0,0,0,0|0,0,2]=4 861 B13R1.49 COC1=C(C=CC(=C1)C(O)CN)O Z2574937385 [0,2,0,0,0,0|0,0,0]=2 862 B13R1.2678 NCC(N)C1=CC(=C(C(=C1)F)F)F Z1820079345 [0,2,0,0,0,0|2,0,0]=4 863 B11R2.34 BrC1=CC=C(C=C1)C2CO2 Z278165164 [1,0,0,1,0,0|2,0,0]=4 864 B11R2.34 BrC1=CC=C(C=C1)[C@@H]2CO2 Z1198177141 [1,0,0,1,0,0|2,0,0]=4 865 B11R2.34 BrC1=CC=C(C=C1)[C@H]2CO2 Z1198177142 [1,0,0,1,0,0|2,0,0]=4 866 B11R2.34 CC1=CC=C(C=C1)C2CO2 Z278165170 [1,0,0,1,0,0|2,0,0]=4 867 B11R2.34 ClC1=CC=C(C=C1)C2CO2 Z274971352 [1,0,0,1,0,0|2,0,0]=4 868 B11R2.34 ClC1=CC=C(C=C1)[C@@H]2CO2 Z1255450845 [1,0,0,1,0,0|2,0,0]=4 869 B11R2.34 ClC1=CC=C(C=C1)[C@H]2CO2 Z1198173162 [1,0,0,1,0,0|2,0,0]=4 870 B11R2.34 FC1=CC=C(C=C1)C2CO2 Z238878272 [1,0,0,1,0,0|2,0,0]=4 871 B11R2.34 FC1=CC=C(C=C1)[C@@H]2CO2 Z1255365381 [1,0,0,1,0,0|2,0,0]=4 872 B11R2.34 FC1=CC=C(C=C1)[C@H]2CO2 Z1255356921 [1,0,0,1,0,0|2,0,0]=4 873 B11R2.36 BrC1=CC2=C(C=C1)CCC2 Z359513410 [1,0,0,1,0,0|2,0,0]=4 874 B11R2.36 BrC1=CC2=C(C=C1)CCN2 Z1267773746 [1,0,0,1,0,0|1,0,0]=3 875 B11R2.36 BrC1=CC2=C(C=C1)CCO2 Z1198181832 [1,0,0,1,0,0|2,0,0]=4 876 B11R2.36 CC1=CC2=C(C=C1)CCN2 Z1269638555 [1,0,0,1,0,0|1,0,0]=3 877 B11R2.36 CC1=NC=C2CCNC2=C1 Z2651710943 [1,0,0,1,0,0|2,0,0]=4 878 B11R2.36 ClC1=CC2=C(C=C1)CCC2 Z1198234594 [1,0,0,1,0,0|2,0,0]=4 879 B11R2.36 ClC1=CC2=C(C=C1)CCN2 Z926915320 [1,0,0,1,0,0|1,0,0]=3 880 B11R2.36 FC1=CC2=C(C=C1)CCN2 Z440803576 [1,0,0,1,0,0|1,0,0]=3 881 B11R2.36 FC1=CC2=C(CCN2)N=C1 Z5452930143 [1,0,0,1,0,0|2,0,0]=4 882 B11R2.36 IC1=CC2=C(C=C1)CCC2 Z381540774 [1,0,0,1,0,0|2,0,0]=4 883 B11R2.36 NC1=CC2=C(C=C1)CCO2 Z1203579091 [1,0,0,1,0,0|2,0,0]=4 884 B11R2.36 NC1=CC2=C(C=C1)CCS2 Z1198181342 [1,0,0,1,0,0|2,0,0]=4 885 B11R2.36 OC1=CC2=C(C=C1)C=NN2 Z1198147845 [1,0,0,1,0,0|1,0,1]=4 886 B11R2.36 OC1=CC2=C(C=C1)CCN2 Z3241260546 [1,0,0,1,0,0|0,0,0]=2 887 B11R2.36 OC1=CC2=C(C=C1)CNC2 Z2489383861 [1,0,0,1,0,0|2,0,0]=4 888 B11R2.36 OC1=CC2=C(C=C1)OCC2 Z1198182902 [1,0,0,1,0,0|2,0,0]=4 889 B11R2.36 OC1=CC2=C(C=C1)OCO2 Z104473678 [1,0,0,1,0,0|2,0,0]=4 890 B11R2.36 OC1=CC2=C(C=CN2)C=C1 Z1203162244 [1,0,0,1,0,0|0,0,2]=4 891 B11R2.36 OC1=CC2=C(CCC2)N=C1 Z1255498919 [1,0,0,1,0,0|2,0,0]=4 892 B11R2.36 OC1=NC2=C(C=C1)CCN2 Z5351512817 [1,0,0,1,0,0|1,0,0]=3 893 B11R2.1 CC1CNC2=C1C=CC=C2 Z415739264 [1,0,0,1,0,0|1,0,0]=3 894 B11R2.1 CC1CNC2=C1C=CN=C2 Z3400245703 [1,0,0,1,0,0|2,0,0]=4 895 B11R2.1 CC1CNC2=C1N=CC=C2 Z3464420345 [1,0,0,1,0,0|2,0,0]=4 896 B11R2.1 NC1CCC2=C1C=CC=C2 Z168884748 [1,0,0,1,0,0|2,0,0]=4 897 B11R2.1 NC1CSC2=C1C=CC=C2 Z431544668 [1,0,0,1,0,0|2,0,0]=4 898 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 Z1741972748 [1,0,0,1,0,0|2,0,0]=4 899 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [1,0,0,1,0,0|1,0,0]=3 900 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [1,0,0,1,0,0|1,0,0]=3 901 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [1,0,0,1,0,0|1,0,0]=3 902 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [1,0,0,1,0,0|1,0,0]=3 903 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [1,0,0,1,0,0|1,0,0]=3 904 B11R2.40 CC1(CO1)C2=CC=CC=C2 Z813010616 [1,0,0,1,0,0|2,0,0]=4 905 B11R2.40 NC1(CC1)C2=CC=CC=C2 Z1262398449 [1,0,0,1,0,0|2,0,0]=4 906 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [1,0,0,1,0,0|2,0,0]=4 907 B11R2.988 NCC1CC2=C1C=CC=C2 Z234895091 [1,0,0,1,0,0|1,0,0]=3 908 B13R2.42 NC[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2286737527 [0,0,0,1,0,1|2,0,0]=4 909 B13R2.43 NCC1=NC2=C(N1)C=CC(=C2)O Z5004215696 [0,0,0,1,0,1|1,0,1]=4 910 B13R2.43 NCC1=NC2=C(O1)C=C(C=C2)Br Z2217033071 [0,0,0,1,0,1|1,0,1]=4 911 B13R2.43 NCC1CC2=C(O1)C=CC(=C2)Br Z1269117858 [0,0,0,1,0,1|2,0,0]=4 912 B13R2.1069 ClC1=CC=C(C=C1)CC2CNC2 Z1333043513 [0,0,0,1,0,1|2,0,0]=4 913 B13R2.1069 FC1=CC=C(C=C1)CC2CNC2 Z1274177347 [0,0,0,1,0,1|2,0,0]=4 914 B13R2.1069 FC1=CC=C(C=C1)OC2CNC2 Z2941369391 [0,0,0,1,0,1|2,0,0]=4 915 B13R2.1069 OC1=CC=C(C=C1)CC2CCC2 Z1513872159 [0,0,0,1,0,1|2,0,0]=4 916 B13R2.1069 OC1=CC=C(C=C1)OC2CCC2 Z2515400422 [0,0,0,1,0,1|2,0,0]=4 917 B13R2.3028 CC1=CC2=C(C=C1)CC(C2N)C Z1625822273 [0,0,0,1,0,1|2,0,0]=4 918 B13R2.3028 CC1CC2=C(C1N)C=C(C=C2)F Z1398462002 [0,0,0,1,0,1|2,0,0]=4 919 B13R2.3683 CC1=CC2=C(C=C1)OC(CN2)C Z1198339746 [0,0,0,1,0,1|2,0,0]=4 920 B13R2.3683 CC1CNC2=C(O1)C=CC(=C2)Br Z1269154407 [0,0,0,1,0,1|2,0,0]=4 921 B13R2.3683 CC1CNC2=C(O1)C=CC(=C2)Cl Z1198339753 [0,0,0,1,0,1|2,0,0]=4 922 B13R2.3683 O=C1CNC2=C(N1)C=CC(=C2)O Z1255398014 [0,0,0,1,0,1|0,0,2]=4 923 B13R2.3683 OC1CCC2=C(C1)C=CC(=C2)Br Z449374978 [0,0,0,1,0,1|2,0,0]=4 924 B13R2.16 COC1=CC=C(C=C1)C2OC2C Z278165290 [0,1,0,1,0,0|1,0,0]=3 925 B13R2.16 COC1=CC=C(C=C1)[C@@H]2C[C@H]2N Z2298098001 [0,1,0,1,0,0|1,0,0]=3 926 B13R2.16 COC1=CC=C(C=C1)[C@@H]2O[C@H]2C Z2527564242 [0,1,0,1,0,0|1,0,0]=3 927 B13R2.186 COC1=CC=C(C=C1)C2(CC2)N Z1815149203 [0,1,0,1,0,0|2,0,0]=4 928 B13R2.102 NC1=CC=C(C=C1)C2(CC2)CO Z3715220021 [0,1,0,1,0,0|2,0,0]=4 929 B13R2.102 NCC1(CC1)C2=CC=C(C=C2)Cl Z361883830 [0,1,0,1,0,0|2,0,0]=4 930 B13R2.102 NCC1(CC1)C2=CC=C(C=C2)F Z361884280 [0,1,0,1,0,0|2,0,0]=4 931 B13R2.2986 CC1(CNC1)C2=CC=C(C=C2)F Z4180010867 [0,1,0,1,0,0|2,0,0]=4 932 B13R2.2986 FC1(CNC1)C2=CC=C(C=C2)Br Z2934452043 [0,1,0,1,0,0|2,0,0]=4 933 B13R2.2986 OC1(CCC1)C2=CC=C(C=C2)F Z1302423014 [0,1,0,1,0,0|2,0,0]=4 934 B13R2.2986 OC1(CNC1)C2=CC=C(C=C2)Br Z2582758894 [0,1,0,1,0,0|1,0,0]=3 935 B13R2.2986 OC1(CNC1)C2=CC=C(C=C2)Cl Z4473823969 [0,1,0,1,0,0|1,0,0]=3 936 B13R2.2987 CC1(CC1N)C2=CC=C(C=C2)F Z1695926070 [0,1,0,1,0,0|2,0,0]=4 937 B13R2.3108 CC1(CNC2=C1C=CC(=C2)Cl)C Z1416188766 [0,1,0,1,0,0|2,0,0]=4 938 B13R2.12 BrC1=CC=C(C=C1)C2CCNC2 Z3235035411 [0,1,0,1,0,0|2,0,0]=4 939 B13R2.12 BrC1=CC=C(C=C1)C2OCCO2 Z1269186914 [0,1,0,1,0,0|2,0,0]=4 940 B13R2.12 CC1=CC=C(C=C1)C2CCNC2 Z940902790 [0,1,0,1,0,0|2,0,0]=4 941 B13R2.12 ClC1=CC=C(C=C1)C2CCNC2 Z1266933891 [0,1,0,1,0,0|2,0,0]=4 942 B13R2.12 FC1=CC=C(C=C1)C2CCNC2 Z940902798 [0,1,0,1,0,0|2,0,0]=4 943 B13R2.12 NC1=CC=C(C=C1)C2CCOC2 Z1486013480 [0,1,0,1,0,0|2,0,0]=4 944 B13R2.12 OC1=CC=C(C=C1)C2CCCN2 Z803145548 [0,1,0,1,0,0|2,0,0]=4 945 B13R2.12 OC1=CC=C(C=C1)C2CCNC2 Z2692095167 [0,1,0,1,0,0|1,0,0]=3 946 B13R2.12 OC1=CC=C(C=C1)C2CCOC2 Z1486018525 [0,1,0,1,0,0|1,0,0]=3 947 B13R2.12 OC1=CC=C(C=C1)C2SCCS2 Z57992434 [0,1,0,1,0,0|1,1,0]=4 948 B13R2.662 NCC1OCC2=C1C=CC(=C2)Cl Z4791662405 [0,1,0,1,0,0|1,0,0]=3 949 B13R2.147 NC1CC(C1)C2=CC=C(C=C2)Br Z1696091784 [0,1,0,1,0,0|2,0,0]=4 950 B13R2.147 NC1CC(C1)C2=CC=C(C=C2)F Z1266854912 [0,1,0,1,0,0|2,0,0]=4 951 B13R2.147 N[C@H]1C[C@@H](C1)C2=CC=C(C=C2)Cl Z1947189743 [0,1,0,1,0,0|2,0,0]=4 952 B13R2.520 OC(C1=CC=C(C=C1)Br)C2CC2 Z756121470 [0,1,0,1,0,0|2,0,0]=4 953 B13R2.5179 CC1CNCC2=C1C=CC(=C2)Br Z3013893906 [0,1,0,1,0,0|2,0,0]=4 954 B13R2.5179 NC1CCCC2=C1C=CC(=C2)O Z2867491070 [0,1,0,1,0,0|2,0,0]=4 955 B13R2.5179 OC1CCCC2=C1C=CC(=C2)F Z1255366926 [0,1,0,1,0,0|2,0,0]=4 956 B13R2.2988 OC1=CC=C(C=C1)C2CC2(F)F Z1513871465 [0,1,0,1,0,0|2,0,0]=4 957 B13R2.5190 CC1CC2=C(C1C)C=CC(=C2)O Z1513871470 [0,1,0,1,0,0|2,0,0]=4 958 B13R2.5190 O=C1NC2=C(C1O)C=CC(=C2)Br Z235448248 [0,1,0,1,0,0|1,0,1]=4 959 B13R2.5190 O=C1NC2=C(C1O)C=CC(=C2)F Z335245186 [0,1,0,1,0,0|1,0,1]=4 960 B13R2.522 CC1=C(C=C(C=C1)C2CC2N)C Z234897043 [0,1,0,1,0,0|2,0,0]=4 961 B13R2.522 N[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)Cl Z2298098026 [0,1,0,1,0,0|2,0,0]=4 962 B13R2.522 N[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)F Z2298098037 [0,1,0,1,0,0|2,0,0]=4 963 B13R2.522 N[C@@H]1C[C@H]1C2=CC(=C(C=C2)F)F Z2298098006 [0,1,0,1,0,0|2,0,0]=4 964 B13R2.5399 CC1=CC(=C(C=C1)[C@@H]2C[C@H]2N)Br Z4670281105 [0,1,0,1,0,0|2,0,0]=4 965 B13R2.5399 N[C@@H]1C[C@H]1C2=C(C=C(C=C2)Cl)Cl Z2298098028 [0,1,0,1,0,0|2,0,0]=4 966 B13R2.5399 N[C@@H]1C[C@H]1C2=C(C=C(C=C2)F)F Z2298098010 [0,1,0,1,0,0|2,0,0]=4 967 B13R2.11642 OC1CCC2=C1C(=CC(=C2)Cl)Cl Z815114676 [0,1,0,1,0,0|2,0,0]=4 968 B9R1.7 CC1=CC=C(S1)CCN Z3038322398 [1,0,0,0,1,0|2,0,0]=4 969 B9R1.7 NCCC1=CC=C(O1)Br Z1442016604 [1,0,0,0,1,0|2,0,0]=4 970 B9R1.7 NCCC1=CC=C(S1)Cl Z432066930 [1,0,0,0,1,0|2,0,0]=4 971 B9R1.7 NCCC1=CC=C(S1)I Z1262398458 [1,0,0,0,1,0|2,0,0]=4 972 B9R1.7 NCCC1=CSC(=C1)Br Z4125344523 [1,0,0,0,1,0|2,0,0]=4 973 B9R1.35 CC(O)C1=CC=C(S1)Cl Z228586148 [1,0,0,0,1,0|2,0,0]=4 974 B9R1.11 CC(CN)C1=CC=CS1 Z803101386 [1,0,0,0,1,0|2,0,0]=4 975 B9R1.11 NCC(O)C1=CN=CS1 Z2310732372 [1,0,0,0,1,0|2,0,0]=4 976 B9R1.11 NCC(O)C1=CNC=N1 Z2310707384 [1,0,0,0,1,0|2,0,0]=4 977 B9R1.11 NCC(O)C1=COC=C1 Z1198261509 [1,0,0,0,1,0|1,0,0]=3 978 B9R1.11 NCC(O)C1=CSC=C1 Z330910460 [1,0,0,0,1,0|1,0,0]=3 979 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [1,0,0,0,0,1|2,0,0]=4 980 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [1,0,0,0,0,1|1,0,0]=3 981 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [1,0,0,0,0,1|1,0,0]=3 982 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [1,0,0,0,0,1|1,0,0]=3 983 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [1,0,0,0,0,1|2,0,0]=4 984 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,0,0,0,0,1|1,0,0]=3 985 B11R1.40 CCC(O)CC1=CC=NC=C1 Z992409862 [1,0,0,0,0,1|2,0,0]=4 986 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,0,0,0,0,1|1,0,0]=3 987 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,0,0,0,0,1|1,0,0]=3 988 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,0,0,0,0,1|2,0,0]=4 989 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [1,0,0,0,0,1|0,0,2]=4 990 B11R1.40 NCC(=O)NC1=CC=CC=C1 Z594413794 [1,0,0,0,0,1|0,0,2]=4 991 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [1,0,0,0,0,1|1,0,0]=3 992 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [1,0,0,0,0,1|1,0,0]=3 993 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,0,0,0,0,1|0,0,0]=2 994 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,0,0,0,0,1|2,0,0]=4 995 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,0,0,0,0,1|2,0,0]=4 996 B13R1.14 NCC(O)COC1=CC=C(C=C1)F Z271072308 [0,0,0,0,0,2|1,0,0]=3 997 B13R1.14 NCC(O)COC1=CC=C(C=C1)I Z381428032 [0,0,0,0,0,2|1,0,0]=3 998 B13R1.14 OCC(O)COC1=CC=C(C=C1)Cl Z995094004 [0,0,0,0,0,2|2,0,0]=4