0 B11R1.40 C#CC(=O)CC1=CC=CC=C1 Z1266856334 [0,0,0,0,0,0|1,0,3]=4 1 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.40 CC(C#N)OC1=CC=CC=C1 Z54191740 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [0,0,0,0,0,0|1,0,2]=3 4 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.40 CCC(=O)CC1=CN=CC=C1 Z992407884 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.40 CCC(O)CC1=CC=NC=C1 Z992409862 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.40 CN(C#N)CC1=CC=CC=C1 Z1255506511 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.40 N/C(=N\O)/CC1=NC=CC=C1 Z285132826 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [0,0,0,0,0,0|1,0,0]=1 18 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [0,0,0,0,0,0|1,0,2]=3 20 B11R1.40 NCC(=O)NC1=CC=CC=C1 Z594413794 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [0,0,0,0,0,0|1,0,0]=1 24 B11R1.40 NNC(=O)CC1=CC=CC=C1 Z56867310 [0,0,0,0,0,0|2,0,2]=4 25 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [0,0,0,0,0,0|1,0,0]=1 26 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [0,0,0,0,0,0|1,0,0]=1 27 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [0,0,0,0,0,0|1,0,2]=3 28 B11R1.40 O=C(CCl)NC1=CC=CC=C1 Z56889119 [0,0,0,0,0,0|2,0,2]=4 29 B11R1.40 O=C(CO)NC1=CC=CC=C1 Z228585444 [0,0,0,0,0,0|1,0,2]=3 30 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.17 CCCNC1=CN=CC=C1 Z334882412 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.17 CCNCC1=CC=NC=C1 Z57327181 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.17 CCNCC1=NC=CC=C1 Z90513146 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.17 CCSCC1=NC=CC=C1 Z1607601848 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [1,0,0,0,0,0|1,0,1]=3 43 B10R1.17 N#CCNC1=CC=CC=C1 Z56347332 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.17 N#CCOC1=CC=CC=C1 Z53792061 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.17 N#CCSC1=CC=CC=C1 Z19751391 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.17 NC/C=C/C1=CC=CC=C1 Z2953771905 [1,0,0,0,0,0|1,0,2]=4 47 B10R1.17 NCC#CC1=CC=CC=C1 Z227964210 [1,0,0,0,0,0|1,0,2]=4 48 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.17 NCCCC1=CN=NC=C1 Z3270187722 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.17 NCCCC1=NC=CN=C1 Z1474025943 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.17 NCCNC1=CC=NC=C1 Z317257862 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 NCCNC1=NC=CC=C1 Z85923460 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.17 NCCOC1=CC=NC=C1 Z3243651499 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.17 NCCOC1=CN=CC=C1 Z429662874 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [1,0,0,0,0,0|0,0,2]=3 61 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [1,0,0,0,0,0|1,0,2]=4 62 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [1,0,0,0,0,0|1,0,2]=4 63 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [1,0,0,0,0,0|1,0,2]=4 64 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [1,0,0,0,0,0|1,0,2]=4 65 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [1,0,0,0,0,0|1,0,2]=4 66 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [1,0,0,0,0,0|0,0,2]=3 67 B10R1.17 OCC#CC1=NC=CC=C1 Z1143356057 [1,0,0,0,0,0|1,0,2]=4 68 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [1,0,0,0,0,0|0,0,0]=1 69 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.17 OCCCC1=NC=NC=C1 Z2044799287 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.17 OCCNC1=CC=NC=C1 Z359301874 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.17 OCCNC1=NC=CC=C1 Z31212159 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.17 OCCNC1=NC=CC=N1 Z31212160 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.17 OCCNC1=NC=CN=C1 Z31212301 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.17 OCCNC1=NN=CC=C1 Z991531008 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [1,0,0,0,0,0|1,0,0]=2 78 B10R1.17 OCCOC1=CN=CC=C1 Z1180078238 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [1,0,0,0,0,0|1,0,0]=2 80 B10R1.17 S=C=NCC1=CC=CC=C1 Z56869309 [1,0,0,0,0,0|1,1,1]=4 81 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [1,0,0,0,0,0|1,0,2]=4 82 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [1,0,0,0,0,0|1,0,2]=4 83 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.18 CC(C)CC1=NC=CC=C1 Z1201621742 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.18 CC(C)NC1=CN=CC=C1 Z334882282 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.18 CC(C)OC1=CC=NC=C1 Z1140308716 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.18 CC(N)CC1=CC=NC=C1 Z285143992 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [1,0,0,0,0,0|0,0,0]=1 91 B10R1.18 CC(O)CC1=CC=NC=C1 Z992409872 [1,0,0,0,0,0|1,0,0]=2 92 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [1,0,0,0,0,0|1,0,0]=2 93 B10R1.18 CN(C)CC1=CN=CC=C1 Z140563088 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.18 CN(C)CC1=NC=CC=C1 Z4614651190 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [1,0,0,0,0,0|1,0,2]=4 97 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [1,0,0,0,0,0|1,1,1]=4 98 B10R1.18 O=C(O)CC1=CC=NC=C1 Z271099418 [1,0,0,0,0,0|1,0,2]=4 99 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [1,0,0,0,0,0|1,0,2]=4 100 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [1,0,0,0,0,0|1,0,1]=3 101 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [1,0,0,0,0,0|1,0,2]=4 102 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [1,0,0,0,0,0|1,0,0]=2 103 B12R1.32 C#CCN(C)CC1=CC=CC=C1 Z103710848 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.32 CCCC(=O)CC1=CC=CC=C1 Z513733628 [0,1,0,0,0,0|1,0,2]=4 105 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.32 COCC(=O)CC1=CC=CC=C1 Z447897954 [0,1,0,0,0,0|0,0,2]=3 111 B12R1.32 COCC(=O)NC1=CC=CC=C1 Z31504642 [0,1,0,0,0,0|1,0,2]=4 112 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [0,1,0,0,0,0|1,0,0]=2 113 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [0,1,0,0,0,0|1,0,0]=2 114 B12R1.32 NCCS(=O)CC1=CC=CC=C1 Z802568488 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.34 CC(C1=CC=CC=C1)C(N)CO Z1262398547 [0,1,0,0,0,0|1,0,0]=2 116 B12R1.34 CC(CN)N(C)C1=CC=CC=C1 Z228572562 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.34 CC(CO)C(=O)C1=CC=CC=C1 Z1198183441 [0,1,0,0,0,0|1,0,1]=3 118 B12R1.34 CCC(N)C(C)C1=CC=CC=C1 Z1318372590 [0,1,0,0,0,0|2,0,0]=3 119 B12R1.34 CCC(N)C(O)C1=CC=CC=C1 Z1695783907 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.34 NC(CO)C(O)C1=CC=NC=C1 Z2696777507 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.34 NC(CO)C(O)C1=NC=CC=C1 Z2694807446 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [0,1,0,0,0,0|1,0,2]=4 123 B12R1.43 CC(C)C(C)NC1=CC=CC=C1 Z334878086 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [0,1,0,0,0,0|1,0,1]=3 125 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.43 CC(Cl)C(=O)CC1=CC=CC=C1 Z558478664 [0,1,0,0,0,0|1,0,2]=4 127 B12R1.43 CC(N)C(=O)CC1=CC=CC=C1 Z1262640515 [0,1,0,0,0,0|1,0,2]=4 128 B12R1.43 CC(N)C(C)OC1=CC=CC=C1 Z803066446 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.43 CC(N)C(O)CC1=CC=CC=C1 Z1483956878 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.43 CC(O)C(=O)NC1=CC=CC=C1 Z212044362 [0,1,0,0,0,0|1,0,2]=4 132 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [0,1,0,0,0,0|1,0,1]=3 135 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,1,0,0,0,0|1,0,2]=4 136 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,1,0,0,0,0|1,0,2]=4 137 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,1,0,0,0,0|1,0,2]=4 138 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,1,0,0,0,0|1,0,1]=3 139 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [0,1,0,0,0,0|2,0,1]=4 141 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [0,1,0,0,0,0|2,0,1]=4 142 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,1,0,0,0,0|1,0,1]=3 143 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,1,0,0,0,0|1,0,1]=3 144 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [0,1,0,0,0,0|0,0,3]=4 145 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,1,0,0,0,0|0,0,1]=2 146 B12R1.43 O=C(O)C(O)CC1=NC=CC=C1 Z3486862716 [0,1,0,0,0,0|1,0,1]=3 147 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,1,0,0,0,0|0,0,1]=2 148 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,1,0,0,0,0|0,0,1]=2 149 B12R1.49 CC(CN)OC1=CC=C(C=C1)Br Z844632490 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.49 CC(CN)OC1=CC=C(C=C1)Cl Z844632498 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.49 CC(CN)OC1=CC=C(C=C1)F Z274779140 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.49 CC(CN)SC1=CC=C(C=C1)Br Z1266854950 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.49 CC1=CC=C(C=C1)CC(=O)CCl Z316174762 [0,1,0,0,0,0|1,0,2]=4 154 B12R1.49 CC1=CC=C(C=C1)CC(=O)NO Z90728587 [0,1,0,0,0,0|1,0,2]=4 155 B12R1.49 CC1=CC=C(C=C1)CC(Br)C#N Z85923462 [0,1,0,0,0,0|2,0,1]=4 156 B12R1.49 CC1=CC=C(C=C1)CC(Cl)C=O Z982126370 [0,1,0,0,0,0|1,0,2]=4 157 B12R1.49 CC1=CC=C(C=C1)CC(N)CO Z1800620539 [0,1,0,0,0,0|1,0,0]=2 158 B12R1.49 CC1=CC=C(C=C1)NC(=O)CO Z228585410 [0,1,0,0,0,0|1,0,2]=4 159 B12R1.49 CC1=CC=C(C=C1)OC(C)CN Z844632044 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.49 CCC(=O)CC1=CC=C(C=C1)Br Z513733694 [0,1,0,0,0,0|1,0,2]=4 161 B12R1.49 CCC(=O)CC1=CC=C(C=C1)C Z513735300 [0,1,0,0,0,0|1,0,2]=4 162 B12R1.49 CCC(C)OC1=CC=C(C=C1)Br Z336342658 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.49 CCC(C)OC1=CC=C(C=C1)N Z274541874 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.49 CCC(N)CC1=CC=C(C=C1)Br Z2582143601 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.49 CCC(N)CC1=CC=C(C=C1)Cl Z2044769785 [0,1,0,0,0,0|2,0,0]=3 168 B12R1.49 CCC(N)CC1=CC=C(C=C1)F Z2492774579 [0,1,0,0,0,0|2,0,0]=3 169 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [0,1,0,0,0,0|2,0,0]=3 170 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [0,1,0,0,0,0|1,0,0]=2 171 B12R1.49 C[C@@H](CN)OC1=CC=C(C=C1)Cl Z1860991587 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.49 NC(CO)CC1=CC=C(C=C1)Cl Z3244488892 [0,1,0,0,0,0|1,0,0]=2 173 B12R1.49 NC(CO)CC1=CC=C(C=C1)F Z1849004242 [0,1,0,0,0,0|1,0,0]=2 174 B12R1.49 NC(CO)CC1=CC=C(C=C1)I Z1263636488 [0,1,0,0,0,0|1,0,0]=2 175 B12R1.49 NC1=CC=C(C=C1)CC(F)CO Z4580450313 [0,1,0,0,0,0|1,0,0]=2 176 B12R1.49 NCC(=O)CC1=CC=C(C=C1)F Z1889902528 [0,1,0,0,0,0|1,0,2]=4 177 B12R1.49 NCC(O)CC1=CC=C(C=C1)Br Z4990293859 [0,1,0,0,0,0|1,0,0]=2 178 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [0,1,0,0,0,0|1,0,0]=2 179 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [0,1,0,0,0,0|1,0,0]=2 180 B12R1.49 O=C(CC1=CC=C(C=C1)Br)NO Z59182179 [0,1,0,0,0,0|1,0,2]=4 181 B12R1.49 O=C(CC1=CC=C(C=C1)Cl)NO Z59182084 [0,1,0,0,0,0|1,0,2]=4 182 B12R1.49 O=C(CC1=CC=C(C=C1)F)NO Z59182031 [0,1,0,0,0,0|1,0,2]=4 183 B12R1.49 O=C(CC1=CC=C(C=C1)O)NO Z135512374 [0,1,0,0,0,0|1,0,2]=4 184 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Br Z408178414 [0,1,0,0,0,0|1,0,2]=4 185 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Cl Z316174770 [0,1,0,0,0,0|1,0,2]=4 186 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)F Z316174768 [0,1,0,0,0,0|1,0,2]=4 187 B12R1.49 O=C(CO)CC1=CC=C(C=C1)F Z906206828 [0,1,0,0,0,0|0,0,2]=3 188 B12R1.49 O=C(CO)NC1=CC=C(C=C1)Cl Z228585484 [0,1,0,0,0,0|1,0,2]=4 189 B12R1.50 C#CC(N)CC1=CC(=CC=C1)F Z3178895122 [0,1,0,0,0,0|2,0,1]=4 190 B12R1.50 CC(CN)OC1=CC(=CC=C1)Br Z844632504 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.50 CC(CN)OC1=CC(=CC=C1)Cl Z1263820268 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.50 CC(CN)OC1=CC(=CC=C1)F Z844631990 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.50 CC1=CC(=CC=C1)CC(=O)CCl Z276118998 [0,1,0,0,0,0|1,0,2]=4 194 B12R1.50 CC1=CC(=CC=C1)CC(N)CO Z1801307645 [0,1,0,0,0,0|1,0,0]=2 195 B12R1.50 CC1=CC(=CC=C1)NC(=O)CO Z431952658 [0,1,0,0,0,0|1,0,2]=4 196 B12R1.50 CC1=CC=CC(=C1)OC(C)CN Z844631960 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.50 CC1=NC(=CC=C1)CC(N)CO Z4870594850 [0,1,0,0,0,0|2,0,0]=3 198 B12R1.50 CCC(C)OC1=CC(=CC=C1)N Z331149114 [0,1,0,0,0,0|3,0,0]=4 199 B12R1.50 CCS(=O)CC1=CC(=CC=C1)Br Z1618064713 [0,1,0,0,0,0|2,0,1]=4 200 B12R1.50 CNC(C)CC1=CC(=CC=C1)C Z2311236342 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.50 C[C@@H](CO)NC1=CC(=CN=C1)Br Z1583378378 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.50 NC(CO)CC1=CC(=CC=C1)F Z1198222234 [0,1,0,0,0,0|1,0,0]=2 203 B12R1.50 NC1=CC(=CC=C1)NC(=O)CO Z385458324 [0,1,0,0,0,0|1,0,2]=4 204 B12R1.50 NCC(=O)CC1=CC(=CC=C1)Br Z1981870420 [0,1,0,0,0,0|1,0,2]=4 205 B12R1.50 NCC(O)CC1=CC(=CC=C1)Br Z4981222469 [0,1,0,0,0,0|1,0,0]=2 206 B12R1.50 O=C(CC1=CC(=CC=C1)F)NO Z59182830 [0,1,0,0,0,0|1,0,2]=4 207 B12R1.50 O=C(CC1=CC(=CC=C1)O)NO Z816010210 [0,1,0,0,0,0|1,0,2]=4 208 B12R1.50 O=C(CCl)CC1=CC(=CC=C1)Br Z408178442 [0,1,0,0,0,0|1,0,2]=4 209 B12R1.50 O=C(CCl)CC1=CC(=CC=C1)Cl Z316174772 [0,1,0,0,0,0|1,0,2]=4 210 B12R1.50 O=C(CCl)CC1=CC=CC(=C1)F Z316174766 [0,1,0,0,0,0|1,0,2]=4 211 B12R1.118 CCC(C#N)OC1=CC=CC=C1 Z851010186 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.118 CCC(CC1=CC=CC=C1)NC Z513799420 [0,1,0,0,0,0|2,0,0]=3 213 B12R1.118 CCC(CN)OC1=CC=CC=C1 Z851004988 [0,1,0,0,0,0|3,0,0]=4 214 B12R1.118 CCC(CO)NC1=CC=CC=C1 Z734137648 [0,1,0,0,0,0|2,0,0]=3 215 B12R1.118 CCN(CC1=CC=CC=C1)N=O Z1198158367 [0,1,0,0,0,0|2,0,1]=4 216 B12R1.118 COC(C=O)CC1=CC=CC=C1 Z1511872212 [0,1,0,0,0,0|0,0,2]=3 217 B12R1.118 COC(CO)CC1=CC=CC=C1 Z1896500221 [0,1,0,0,0,0|0,0,0]=1 218 B12R1.118 N#CC(CO)CC1=CC=CC=C1 Z1098915220 [0,1,0,0,0,0|1,0,0]=2 219 B12R1.118 NCC(CO)CC1=CC=CC=C1 Z234896807 [0,1,0,0,0,0|1,0,0]=2 220 B12R1.118 NCC(CO)CC1=CN=CC=C1 Z1860991485 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.118 NCC(CO)CC1=NC=CC=C1 Z285228948 [0,1,0,0,0,0|2,0,0]=3 222 B12R1.118 OCC(CO)CC1=CC=CC=C1 Z1255372888 [0,1,0,0,0,0|0,0,0]=1 223 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 Z1259281880 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.194 CC(C)(C=O)CC1=CC=CC=C1 Z1188488760 [0,1,0,0,0,0|1,0,2]=4 225 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 Z1269638453 [0,1,0,0,0,0|2,0,0]=3 226 B12R1.194 NCC(F)(F)OC1=CC=CC=C1 Z4201275590 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.371 CC(CN)OC1=C(C=CC=C1)Br Z844632454 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.371 CC(CN)OC1=C(C=CC=C1)Cl Z1263602349 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.371 CC(CN)OC1=C(C=CC=C1)F Z844631932 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.371 CC(CO)NC1=C(C=CC=N1)I Z1340720992 [0,1,0,0,0,0|3,0,0]=4 231 B12R1.371 CC1=C(C=CC=C1)CC(N)CO Z1198274419 [0,1,0,0,0,0|1,0,0]=2 232 B12R1.371 CC1=C(C=CC=C1)NC(=O)CO Z228585408 [0,1,0,0,0,0|1,0,2]=4 233 B12R1.371 CC1=C(C=CC=C1)OC(C)CN Z844631964 [0,1,0,0,0,0|3,0,0]=4 234 B12R1.371 CCC(=O)CC1=C(C=CC=C1)Br Z513735296 [0,1,0,0,0,0|1,0,2]=4 235 B12R1.371 CCC(N)CC1=C(C=CC=C1)Br Z1416200896 [0,1,0,0,0,0|2,0,0]=3 236 B12R1.371 CCC(O)CN1N=CC=CC1=O Z1021424294 [0,1,0,0,0,0|3,0,0]=4 237 B12R1.371 CNC(C)CC1=C(C=CC=C1)C Z1875110273 [0,1,0,0,0,0|3,0,0]=4 238 B12R1.371 N/C(=N\O)/CC1=C(C=CC=C1)Cl Z451350216 [0,1,0,0,0,0|2,0,1]=4 239 B12R1.371 O=C(CC1=C(C=CC=C1)Cl)NO Z59182782 [0,1,0,0,0,0|1,0,2]=4 240 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)Br Z408178456 [0,1,0,0,0,0|1,0,2]=4 241 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)Cl Z408178450 [0,1,0,0,0,0|1,0,2]=4 242 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)F Z316174764 [0,1,0,0,0,0|1,0,2]=4 243 B12R1.371 O=C1C=CC=NN1CC(O)CO Z1551644945 [0,1,0,0,0,0|2,0,0]=3 244 B12R1.371 O=CC(Cl)CC1=C(C=CC=C1)Cl Z982126354 [0,1,0,0,0,0|1,0,2]=4 245 B12R2.11 N[C@@H]1C[C@H]1SC2=CC=CC=C2 Z4598403773 [0,0,0,1,0,0|3,0,0]=4 246 B12R2.18 CC1C2=C(C=CC=C2)CC1N Z1203580431 [0,0,0,1,0,0|2,0,0]=3 247 B12R2.18 CC1C2=C(C=CC=C2)CC1O Z1349231024 [0,0,0,1,0,0|1,0,0]=2 248 B12R2.18 CC1CC2=C(C1=O)C=CC=C2 Z854042930 [0,0,0,1,0,0|1,0,2]=4 249 B12R2.18 CC1CC2=C(C1N)C=CC=C2 Z1182328130 [0,0,0,1,0,0|2,0,0]=3 250 B12R2.18 CC1OC2=C(C1N)C=CC=C2 Z2160887371 [0,0,0,1,0,0|3,0,0]=4 251 B12R2.18 C[C@@H]1CC2=C([C@H]1N)C=CC=C2 Z4993149521 [0,0,0,1,0,0|2,0,0]=3 252 B12R2.18 C[C@H]1C2=C(C=CC=C2)C[C@H]1N Z2514551594 [0,0,0,1,0,0|2,0,0]=3 253 B12R2.18 NC1CC2=C(C1=O)C=CC=C2 Z1551475987 [0,0,0,1,0,0|1,0,2]=4 254 B12R2.18 NC1CC2=C(C1O)C=CC=C2 Z1431905060 [0,0,0,1,0,0|1,0,0]=2 255 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O Z784894996 [0,0,0,1,0,0|1,0,0]=2 256 B12R2.18 N[C@@H]1CC2=C([C@H]1O)C=CC=C2 Z2307327484 [0,0,0,1,0,0|1,0,0]=2 257 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z4663003875 [0,0,0,1,0,0|1,0,0]=2 258 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1N Z4749736623 [0,0,0,1,0,0|2,0,0]=3 259 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O Z803127638 [0,0,0,1,0,0|1,0,0]=2 260 B12R2.18 O=C1C2=C(C=CC=C2)CC1Cl Z854067258 [0,0,0,1,0,0|1,0,2]=4 261 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 Z335244966 [0,0,0,1,0,0|1,0,2]=4 262 B12R2.18 OC1C2=C(C=CC=C2)CC1Br Z104485720 [0,0,0,1,0,0|1,0,0]=2 263 B12R2.18 OC1C2=C(C=CC=C2)CC1F Z1509011291 [0,0,0,1,0,0|1,0,0]=2 264 B12R2.23 CC1CNC1C2=CC=CC=C2 Z1268458216 [0,0,0,1,0,0|2,0,0]=3 265 B12R2.23 NC1CCC1C2=CC=CC=C2 Z1203589614 [0,0,0,1,0,0|2,0,0]=3 266 B12R2.23 N[C@@H]1CC[C@@H]1C2=CC=CC=C2 Z2489138864 [0,0,0,1,0,0|2,0,0]=3 267 B12R2.24 CC1CC2=C(C=CC=C2)CN1 Z979717380 [0,0,0,1,0,0|3,0,0]=4 268 B12R2.24 CC1CCC2=C(C1)N=CC=C2 Z2050228155 [0,0,0,1,0,0|3,0,0]=4 269 B12R2.24 CC1CNC2=C(C1)C=CC=C2 Z1118526687 [0,0,0,1,0,0|2,0,0]=3 270 B12R2.24 CC1CNC2=C(N1)C=CC=C2 Z1203731025 [0,0,0,1,0,0|3,0,0]=4 271 B12R2.24 CC1CNC2=C(O1)C=CC=C2 Z1165160777 [0,0,0,1,0,0|3,0,0]=4 272 B12R2.24 CC1CNC2=C(S1)C=CC=C2 Z1198343217 [0,0,0,1,0,0|3,0,0]=4 273 B12R2.24 CC1COC2=C(N1)C=CC=C2 Z1201621516 [0,0,0,1,0,0|2,0,0]=3 274 B12R2.24 CC1CSC2=C(N1)C=CC=C2 Z1262564902 [0,0,0,1,0,0|2,1,0]=4 275 B12R2.24 C[C@@H]1CC2=C(C=CC=C2)CN1 Z1203733478 [0,0,0,1,0,0|3,0,0]=4 276 B12R2.24 NC1CCC2=C(C1)C=CC=C2 Z992716772 [0,0,0,1,0,0|2,0,0]=3 277 B12R2.24 NC1CCC2=C(C1)C=CC=N2 Z1270312108 [0,0,0,1,0,0|3,0,0]=4 278 B12R2.24 NC1COC2=C(C1)C=CC=C2 Z415636540 [0,0,0,1,0,0|1,0,0]=2 279 B12R2.24 NC1COC2=C(C1)C=CC=N2 Z4410234846 [0,0,0,1,0,0|2,0,0]=3 280 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 Z104495562 [0,0,0,1,0,0|1,0,2]=4 281 B12R2.24 O=C1COC2=C(N1)C=CC=C2 Z56989567 [0,0,0,1,0,0|1,0,2]=4 282 B12R2.24 OC1CCC2=C(C1)C=CC=C2 Z445987178 [0,0,0,1,0,0|1,0,0]=2 283 B12R2.24 OC1CN=C2C=CC=CN2C1 Z1346385602 [0,0,0,1,0,0|2,0,0]=3 284 B12R2.24 OC1CNC2=C(C1)C=CC=C2 Z1198341064 [0,0,0,1,0,0|1,0,0]=2 285 B12R2.27 CNC1CC1C2=CC=CC=C2 Z1443588579 [0,0,0,1,0,0|3,0,0]=4 286 B12R2.27 CN[C@@H]1C[C@H]1C2=CC=CC=C2 Z3024312938 [0,0,0,1,0,0|3,0,0]=4 287 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 Z1198147613 [0,0,0,1,0,0|2,0,1]=4 288 B12R2.27 NCC1CC1C2=CC=CC=C2 Z1276751392 [0,0,0,1,0,0|2,0,0]=3 289 B12R2.27 O=C[C@@H]1C[C@H]1C2=CC=CC=C2 Z2298064271 [0,0,0,1,0,0|1,0,2]=4 290 B12R2.27 OCC1OC1C2=CC=CC=C2 Z1509054538 [0,0,0,1,0,0|0,0,0]=1 291 B12R2.32 ClCC1CC2=C(O1)C=CC=C2 Z397587656 [0,0,0,1,0,0|1,0,0]=2 292 B12R2.32 N#CC1CC2=C(C1)C=CC=C2 Z449368682 [0,0,0,1,0,0|2,0,1]=4 293 B12R2.32 NCC1=NC2=C(O1)C=CC=C2 Z2106602610 [0,0,0,1,0,0|2,0,1]=4 294 B12R2.32 NCC1CC2=C(C1)C=CC=C2 Z1269638468 [0,0,0,1,0,0|2,0,0]=3 295 B12R2.32 NCC1CC2=C(O1)C=CC=C2 Z291234246 [0,0,0,1,0,0|1,0,0]=2 296 B12R2.32 O=CC1CC2=C(C1)C=CC=C2 Z1255436588 [0,0,0,1,0,0|1,0,2]=4 297 B12R2.32 OCC1=CC2=C(O1)C=CC=C2 Z164677912 [0,0,0,1,0,0|0,0,2]=3 298 B12R2.32 OCC1=CC2=C(O1)C=CN=C2 Z1255452234 [0,0,0,1,0,0|1,0,2]=4 299 B12R2.32 OCC1=CC2=C(S1)C=CC=C2 Z816841922 [0,0,0,1,0,0|0,1,2]=4 300 B12R2.32 OCC1=NC2=C(N1)C=CC=C2 Z56791635 [0,0,0,1,0,0|2,0,1]=4 301 B12R2.32 OCC1=NC2=C(O1)C=CC=C2 Z431953250 [0,0,0,1,0,0|1,0,1]=3 302 B12R2.32 OCC1=NC2=C(S1)C=CC=C2 Z56899191 [0,0,0,1,0,0|1,1,1]=4 303 B12R2.32 OCC1CC2=C(C1)C=CC=C2 Z1198176601 [0,0,0,1,0,0|1,0,0]=2 304 B12R2.32 OCC1CC2=C(O1)C=CC=C2 Z397587206 [0,0,0,1,0,0|0,0,0]=1 305 B12R2.37 CC1C(C1C2=CC=CC=C2)N Z3596843396 [0,0,0,1,0,0|2,0,0]=3 306 B12R2.94 NC1(CC1)CC2=CC=CC=C2 Z1723549343 [0,0,0,1,0,0|2,0,0]=3 307 B12R2.2058 C1=CC=C(C=C1)CC2CCN2 Z1324054892 [0,0,0,1,0,0|2,0,0]=3 308 B12R2.2058 C1=CC=C(C=C1)CC2CNC2 Z234895271 [0,0,0,1,0,0|2,0,0]=3 309 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [0,0,0,0,1,0|2,0,1]=4 310 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [0,0,0,0,1,0|1,0,1]=3 311 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [0,0,0,0,1,0|1,0,2]=4 312 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [0,0,0,0,1,0|2,0,0]=3 313 B10R1.15 CC(CN)C1=CC=NC=C1 Z415654978 [0,0,0,0,1,0|3,0,0]=4 314 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [0,0,0,0,1,0|1,0,2]=4 315 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [0,0,0,0,1,0|2,0,0]=3 316 B10R1.15 CCC(N)C1=CC=NC=C1 Z228583312 [0,0,0,0,1,0|3,0,0]=4 317 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [0,0,0,0,1,0|1,0,0]=2 318 B10R1.15 CCC(O)C1=CC=NC=C1 Z513749638 [0,0,0,0,1,0|2,0,0]=3 319 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [0,0,0,0,1,0|3,0,0]=4 320 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [0,0,0,0,1,0|2,0,0]=3 321 B10R1.15 N#CC(Br)C1=CC=CC=C1 Z1198157485 [0,0,0,0,1,0|2,0,1]=4 322 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 Z56827052 [0,0,0,0,1,0|2,0,1]=4 323 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [0,0,0,0,1,0|1,0,0]=2 324 B10R1.15 NC(CO)C1=CN=CC=C1 Z2350903961 [0,0,0,0,1,0|2,0,0]=3 325 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [0,0,0,0,1,0|1,0,2]=4 326 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [0,0,0,0,1,0|2,0,0]=3 327 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [0,0,0,0,1,0|1,0,0]=2 328 B10R1.15 NCC(O)C1=CN=CC=C1 Z336086578 [0,0,0,0,1,0|2,0,0]=3 329 B10R1.15 NCC(O)C1=NC=CC=C1 Z802671456 [0,0,0,0,1,0|2,0,0]=3 330 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [0,0,0,0,1,0|1,0,0]=2 331 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [0,0,0,0,1,0|1,0,0]=2 332 B10R1.15 O=C(CCl)C1=CC=CC=C1 Z57834468 [0,0,0,0,1,0|1,0,2]=4 333 B10R1.15 O=C(CO)C1=CC=CC=C1 Z906206792 [0,0,0,0,1,0|0,0,2]=3 334 B10R1.15 O=C(NO)C1=CC=CC=C1 Z56912029 [0,0,0,0,1,0|1,0,2]=4 335 B10R1.15 OCC(O)C1=CC=NC=C1 Z2736474279 [0,0,0,0,1,0|1,0,0]=2 336 B10R1.15 OCC(O)C1=NC=CC=C1 Z4985119178 [0,0,0,0,1,0|1,0,0]=2 337 B10R1.27 CC(CN)CC1=CC=CS1 Z992308868 [0,0,0,0,1,0|3,0,0]=4 338 B10R1.27 NC(CO)CC1=CN=CS1 Z2731749295 [0,0,0,0,1,0|3,0,0]=4 339 B10R1.27 NC(CO)CC1=NC=CS1 Z3004013658 [0,0,0,0,1,0|3,0,0]=4 340 B10R1.27 N[C@H](CO)CC1=CNC=N1 Z2697164739 [0,0,0,0,1,0|3,0,0]=4 341 B10R1.27 OCC(O)CN1C=CC=C1 Z1255436209 [0,0,0,0,1,0|1,0,0]=2 342 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [0,0,0,0,0,1|1,0,2]=4 343 B12R1.27 CC(CO)COC1=CC=CC=C1 Z1255385347 [0,0,0,0,0,1|1,0,0]=2 344 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [0,0,0,0,0,1|1,0,0]=2 345 B12R1.27 CC(COC1=CC=CC=C1)NN Z2286637842 [0,0,0,0,0,1|3,0,0]=4 346 B12R1.27 CCC(C)NCC1=CC=CC=C1 Z57981002 [0,0,0,0,0,1|2,0,0]=3 347 B12R1.27 CCC(N)CCC1=CC=CC=C1 Z406453862 [0,0,0,0,0,1|2,0,0]=3 348 B12R1.27 CCC(N)CNC1=CC=CC=C1 Z756919558 [0,0,0,0,0,1|2,0,0]=3 349 B12R1.27 CCC(N)CSC1=CC=CC=C1 Z1238715197 [0,0,0,0,0,1|2,0,0]=3 350 B12R1.27 CCC(O)CCC1=CN=CC=C1 Z1233227787 [0,0,0,0,0,1|2,0,0]=3 351 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [0,0,0,0,0,1|1,0,0]=2 352 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [0,0,0,0,0,1|1,0,0]=2 353 B12R1.27 N/C(=N\O)/CCC1=CC=CC=C1 Z285132818 [0,0,0,0,0,1|2,0,1]=4 354 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 Z104341168 [0,0,0,0,0,1|2,0,1]=4 355 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [0,0,0,0,0,1|1,0,2]=4 356 B12R1.27 NCC(=O)NCC1=CC=CC=C1 Z398557160 [0,0,0,0,0,1|1,0,2]=4 357 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [0,0,0,0,0,1|1,0,2]=4 358 B12R1.27 NCC(O)COC1=CC=CC=C1 Z271072310 [0,0,0,0,0,1|1,0,0]=2 359 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [0,0,0,0,0,1|1,0,2]=4 360 B12R1.27 O=C(CCl)COC1=CC=CC=C1 Z1255416714 [0,0,0,0,0,1|1,0,2]=4 361 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 Z56896328 [0,0,0,0,0,1|1,0,2]=4 362 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [0,0,0,0,0,1|0,0,2]=3 363 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Z1201626370 [0,0,0,0,0,1|0,0,0]=1 364 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [2,0,0,0,0,0|0,0,0]=2 365 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [2,0,0,0,0,0|1,0,0]=3 366 B9R1.8 CCCC1=NN=CC=C1 Z1486025396 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [2,0,0,0,0,0|1,0,0]=3 368 B9R1.8 CCNC1=CC=NC=C1 Z359297730 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.8 CCSC1=CC=NC=C1 Z1376454759 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.8 CNCC1=CC=NC=C1 Z57390007 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [2,0,0,0,0,0|0,0,2]=4 380 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [2,0,0,0,0,0|0,0,0]=2 381 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [2,0,0,0,0,0|1,0,0]=3 382 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [2,0,0,0,0,0|1,0,0]=3 383 B9R1.8 OCCC1=NC=CN=C1 Z234895105 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.8 OCCC1=NC=NC=C1 Z1250886882 [2,0,0,0,0,0|2,0,0]=4 385 B11R1.1 BrCCOC1=CC=C(C=C1)Br Z56887702 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [1,1,0,0,0,0|1,0,0]=3 387 B11R1.1 CC1=CC=C(C=C1)OCCBr Z56886357 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.1 CC1=CC=C(C=C1)OCCN Z54747869 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.1 CC1=CC=C(C=C1)SCCCl Z90122598 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.1 CC1=CC=C(C=C1)SCCO Z149178580 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.1 CCCOC1=CC=C(C=C1)N Z239604724 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.1 CCNCC1=CC=C(C=C1)F Z3244655509 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.1 CCOCC1=CC=C(C=C1)Br Z823854370 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.1 CCOCC1=CC=C(C=C1)N Z240084570 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.1 CCSCC1=CC=C(C=C1)N Z332378208 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.1 CNCCC1=CC=C(C=C1)Br Z385447024 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.1 CNCCC1=CC=C(C=C1)C Z5115849578 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.1 CNCCC1=CC=C(C=C1)F Z138454998 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.1 COCCC1=CC=C(C=C1)Br Z299596190 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.1 COCCC1=CC=C(C=C1)Cl Z1470894103 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.1 CSCCC1=CC=C(C=C1)N Z732207426 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.1 ClC1=CC=C(C=C1)OCCBr Z56926557 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.1 ClCCSC1=CC=C(C=C1)Cl Z55993025 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.1 FCCOC1=CC=C(C=C1)Br Z1269166672 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.1 N#CCCC1=CC=C(C=C1)N Z4750298565 [1,1,0,0,0,0|1,0,1]=4 410 B11R1.1 NC1=CC=C(C=C1)OCCF Z1262631146 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [1,1,0,0,0,0|1,0,0]=3 412 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [1,1,0,0,0,0|1,0,0]=3 413 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [1,1,0,0,0,0|1,0,0]=3 414 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [1,1,0,0,0,0|1,0,0]=3 415 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [1,1,0,0,0,0|1,0,0]=3 416 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [1,1,0,0,0,0|1,0,0]=3 417 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.1 NCCOC1=CC=C(C=C1)Br Z1262237188 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.1 NCCOC1=CC=C(C=C1)Cl Z85957193 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.1 NCCOC1=CC=C(C=C1)F Z87000937 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.1 NCCOC1=CC=C(C=C1)I Z381428104 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.1 NCCSC1=CC=C(C=C1)Br Z262221984 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.1 NCCSC1=CC=C(C=C1)Cl Z54751093 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.1 NCCSC1=CC=C(C=C1)F Z1267773811 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [1,1,0,0,0,0|0,0,2]=4 426 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [1,1,0,0,0,0|0,0,2]=4 427 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [1,1,0,0,0,0|0,0,2]=4 428 B11R1.1 OC/C=C/C1=CC=C(C=C1)O Z2235811101 [1,1,0,0,0,0|0,0,2]=4 429 B11R1.1 OCC#CC1=CC=C(C=C1)Cl Z540350074 [1,1,0,0,0,0|0,0,2]=4 430 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [1,1,0,0,0,0|0,0,0]=2 431 B11R1.1 OCCNC1=CC=C(C=C1)Br Z335275406 [1,1,0,0,0,0|1,0,0]=3 432 B11R1.1 OCCNC1=NC=C(C=C1)I Z1269164771 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.1 OCCOC1=CC=C(C=C1)Br Z335092354 [1,1,0,0,0,0|1,0,0]=3 434 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [1,1,0,0,0,0|1,0,0]=3 435 B11R1.1 OCCOC1=NC=C(C=C1)Br Z808609020 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.1 OCCSC1=CC=C(C=C1)Br Z149190682 [1,1,0,0,0,0|1,0,0]=3 437 B11R1.1 OCCSC1=CC=C(C=C1)Cl Z149162370 [1,1,0,0,0,0|1,0,0]=3 438 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [1,1,0,0,0,0|1,0,1]=4 439 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [1,1,0,0,0,0|1,0,1]=4 440 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [1,1,0,0,0,0|0,0,2]=4 441 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [1,1,0,0,0,0|1,0,1]=4 442 B11R1.16 CCCC(N)C1=NC=CC=C1 Z513795928 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [1,1,0,0,0,0|1,0,0]=3 444 B11R1.16 CN(CCN)C1=CC=CC=C1 Z154669318 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.16 CN(CCO)C1=CC=CC=C1 Z138702688 [1,1,0,0,0,0|1,0,0]=3 446 B11R1.16 CN(CCO)C1=NC=CC=C1 Z54633859 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [1,1,0,0,0,0|1,0,1]=4 451 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [1,1,0,0,0,0|0,0,0]=2 452 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [1,1,0,0,0,0|1,0,0]=3 453 B11R1.16 NCCS(=O)C1=CC=CC=C1 Z1266854955 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.16 O=C(CCCl)C1=CC=CC=C1 Z1065610596 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.16 O=C(NCO)C1=CC=CC=C1 Z56799838 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.16 O=S(CCCl)C1=CC=CC=C1 Z421771494 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [1,1,0,0,0,0|1,0,0]=3 458 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [1,1,0,0,0,0|1,0,0]=3 459 B11R1.17 CC1=C(C=CC=C1)CCCN Z424782962 [1,1,0,0,0,0|1,0,0]=3 460 B11R1.17 CC1=C(C=CC=C1)CCCO Z979436644 [1,1,0,0,0,0|0,0,0]=2 461 B11R1.17 CC1=C(C=CC=C1)OCCN Z223656356 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.17 CC1=C(N=CC=C1)CCCN Z1198262715 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.17 CCCNC1=C(C=CC=C1)F Z334942896 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.17 CCCNC1=C(C=CC=C1)N Z94601320 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.17 CCCOC1=C(C=CC=C1)Br Z54722000 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.17 CCCOC1=C(C=CC=C1)N Z56968930 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.17 CCCOC1=C(C=CC=C1)O Z55993120 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.17 CCNCC1=C(C=CC=C1)Br Z1982494002 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.17 CCNCC1=C(C=CC=C1)C Z90513218 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.17 CCNCC1=C(C=CC=C1)Cl Z90513164 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.17 CCNCC1=C(C=CC=C1)F Z286282968 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.17 CCNCC1=C(C=CC=C1)N Z2351947311 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.17 CCOCC1=C(C=CC=C1)N Z285163822 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.17 CNCCC1=C(C=CC=C1)C Z2234185664 [1,1,0,0,0,0|2,0,0]=4 475 B11R1.17 CNCCC1=C(C=CC=C1)Cl Z4935566656 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.17 CNCCC1=C(C=CC=C1)F Z163192604 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.17 CNCCC1=C(C=CC=C1)O Z1665033474 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.17 COCCC1=C(C=CC=C1)N Z992259832 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.17 ClC1=C(C=CC=C1)OCCBr Z56886267 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.17 N#CCCC1=C(C=CC=C1)Br Z815260584 [1,1,0,0,0,0|1,0,1]=4 481 B11R1.17 NC1=C(C=CC=C1)CCCO Z1198265858 [1,1,0,0,0,0|0,0,0]=2 482 B11R1.17 NC1=C(C=CC=C1)NCCO Z55928991 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.17 NC1=C(C=CC=C1)OCCO Z3445703033 [1,1,0,0,0,0|1,0,0]=3 484 B11R1.17 NCCCC1=C(C=CC=C1)Cl Z1695729033 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.17 NCCCC1=C(C=CC=C1)F Z424783030 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.17 NCCCN1C=CC=CC1=O Z271005712 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.17 NCCNC1=C(C=CC=C1)N Z991530054 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.17 NCCOC1=C(C=CC=C1)Br Z803145324 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.17 NCCOC1=C(C=CC=C1)Cl Z54747867 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.17 NCCOC1=C(C=CC=C1)F Z1272739857 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.17 NCCOC1=C(C=CC=C1)O Z3217405430 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.17 NCCSC1=C(C=CC=C1)F Z57971449 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.17 NNCCC1=C(C=CC=C1)F Z285144176 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.17 O=C1C=CC=CN1CCCO Z425794816 [1,1,0,0,0,0|1,0,0]=3 495 B11R1.17 O=C1C=CC=NN1CCCO Z1021424282 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.17 O=C1C=CN=CN1CCCO Z1154747265 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.17 O=CCCC1=C(C=CC=C1)F Z993017602 [1,1,0,0,0,0|0,0,2]=4 498 B11R1.17 OCCCC1=C(C=CC=C1)Br Z992949552 [1,1,0,0,0,0|0,0,0]=2 499 B11R1.17 OCCOC1=C(C=CC=C1)Br Z149303034 [1,1,0,0,0,0|1,0,0]=3 500 B11R1.17 OCCOC1=C(C=CC=C1)F Z425795714 [1,1,0,0,0,0|1,0,0]=3 501 B11R1.17 OCCOC1=C(C=CC=C1)O Z56755902 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.17 OCCSC1=C(C=CC=C1)Br Z149386602 [1,1,0,0,0,0|1,0,0]=3 503 B11R1.17 OCCSC1=C(C=CC=C1)Cl Z149174540 [1,1,0,0,0,0|1,0,0]=3 504 B11R1.17 OCCSC1=C(C=CC=N1)F Z997724398 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.24 BrCCOC1=CC(=CC=C1)Br Z56886268 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.24 C=CCCC1=CC=CC(=C1)Br Z1269162615 [1,1,0,0,0,0|1,0,1]=4 507 B11R1.24 CC1=CC(=CC=C1)CCCN Z4993130622 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.24 CC1=CC(=CC=C1)CCCO Z979436642 [1,1,0,0,0,0|0,0,0]=2 509 B11R1.24 CC1=CC(=CC=C1)OCCBr Z56886266 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.24 CC1=CC(=CC=C1)OCCN Z85926240 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.24 CC1=CC(=CN=C1)CCCO Z1216820424 [1,1,0,0,0,0|1,0,0]=3 512 B11R1.24 CC1=CC(=NC=C1)NCCO Z1250080924 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.24 CC1=NC(=CC=C1)CCCO Z104479712 [1,1,0,0,0,0|1,0,0]=3 514 B11R1.24 CCCOC1=CC(=CC=C1)Br Z54848718 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.24 CCCOC1=CC(=CC=C1)N Z239604770 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.24 CCCOC1=CC(=CC=C1)O Z381415572 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.24 CCNCC1=CC(=CC=C1)Br Z1138763375 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.24 CCNCC1=CC(=CC=C1)C Z90513252 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.24 CCNCC1=CC(=CC=C1)Cl Z90513201 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.24 CCNCC1=CC(=CC=C1)F Z85935746 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.24 CCOCC1=CC(=CC=C1)N Z285163820 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.24 CCSCC1=CC(=CC=C1)N Z332378038 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.24 CNCCC1=CC(=CC=C1)Br Z2168282744 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.24 CNCCC1=CC(=CC=C1)O Z4924737523 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.24 COCCC1=CC(=CC=C1)O Z1513911027 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.24 NC1=CC(=CC=C1)CCCO Z1198265859 [1,1,0,0,0,0|0,0,0]=2 527 B11R1.24 NC1=CC(=CC=C1)OCCF Z1262657442 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.24 NCCCC1=CC(=CC=C1)Br Z1266823414 [1,1,0,0,0,0|1,0,0]=3 529 B11R1.24 NCCCC1=CC(=CC=C1)Cl Z1262246154 [1,1,0,0,0,0|1,0,0]=3 530 B11R1.24 NCCCC1=CC(=CC=C1)F Z424782946 [1,1,0,0,0,0|1,0,0]=3 531 B11R1.24 NCCCC1=CC(=CC=C1)O Z1895582955 [1,1,0,0,0,0|1,0,0]=3 532 B11R1.24 NCCCC1=CC(=CN=C1)F Z4446765955 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.24 NCCOC1=CC(=CC=C1)Br Z744843646 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.24 NCCOC1=CC(=CC=C1)Cl Z425484860 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.24 NCCOC1=CC(=CC=C1)F Z381785786 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.24 O=CCCC1=CC=CC(=C1)Cl Z993017744 [1,1,0,0,0,0|0,0,2]=4 537 B11R1.24 O=CCCC1=CC=CC(=C1)F Z993017622 [1,1,0,0,0,0|0,0,2]=4 538 B11R1.24 OCCNC1=CC(=CC=C1)F Z335274246 [1,1,0,0,0,0|1,0,0]=3 539 B11R1.24 OCCOC1=CC(=CC=C1)Br Z335092356 [1,1,0,0,0,0|1,0,0]=3 540 B11R1.24 OCCOC1=CC(=CC=C1)Cl Z149166432 [1,1,0,0,0,0|1,0,0]=3 541 B11R1.24 OCCOC1=CC(=CN=C1)Br Z1206893175 [1,1,0,0,0,0|2,0,0]=4 542 B11R1.28 BrCCCOC1=CC=CC=C1 Z90122132 [1,1,0,0,0,0|1,0,0]=3 543 B11R1.28 C#CCCOC1=CC=CC=C1 Z1143222703 [1,1,0,0,0,0|1,0,1]=4 544 B11R1.28 C#CCNCC1=CC=CC=C1 Z2082999436 [1,1,0,0,0,0|1,0,1]=4 545 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [1,1,0,0,0,0|1,0,1]=4 546 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [1,1,0,0,0,0|1,0,0]=3 547 B11R1.28 CCCCNC1=CC=NC=C1 Z359299136 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [1,1,0,0,0,0|1,0,0]=3 549 B11R1.28 CCCNCC1=CC=NC=C1 Z3247723488 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.28 CCCNCC1=CN=CC=C1 Z3247723489 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.28 CCCNCC1=NC=CC=C1 Z4401052052 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [1,1,0,0,0,0|1,0,0]=3 553 B11R1.28 CCNCCC1=NC=CC=C1 Z138534138 [1,1,0,0,0,0|2,0,0]=4 554 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [1,1,0,0,0,0|1,0,0]=3 555 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [1,1,0,0,0,0|1,0,0]=3 556 B11R1.28 CNCCOC1=CC=CC=C1 Z56945505 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.28 COCCNC1=CC=CC=C1 Z266463556 [1,1,0,0,0,0|1,0,0]=3 558 B11R1.28 COCCNC1=CC=NC=C1 Z359297138 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [1,1,0,0,0,0|1,0,0]=3 560 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [1,1,0,0,0,0|1,0,0]=3 561 B11R1.28 N#CCCNC1=CC=CC=C1 Z56915949 [1,1,0,0,0,0|1,0,1]=4 562 B11R1.28 N#CCCOC1=CC=CC=C1 Z54337114 [1,1,0,0,0,0|1,0,1]=4 563 B11R1.28 N#CCNCC1=CC=CC=C1 Z266079624 [1,1,0,0,0,0|1,0,1]=4 564 B11R1.28 N#CCOCC1=CC=CC=C1 Z295205356 [1,1,0,0,0,0|1,0,1]=4 565 B11R1.28 N#CCSCC1=CC=CC=C1 Z54337756 [1,1,0,0,0,0|1,0,1]=4 566 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [1,1,0,0,0,0|1,0,0]=3 567 B11R1.28 NCCCCC1=CC=NC=C1 Z3234944907 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [1,1,0,0,0,0|1,0,0]=3 569 B11R1.28 NCCCNC1=CC=NC=C1 Z317257864 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.28 NCCCNC1=NC=CC=C1 Z234895141 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [1,1,0,0,0,0|1,0,0]=3 572 B11R1.28 NCCCOC1=CC=NC=C1 Z976694292 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [1,1,0,0,0,0|1,0,0]=3 574 B11R1.28 NCCCSC1=NC=CC=C1 Z2028214397 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.28 NCCNCC1=NC=CC=C1 Z600492946 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [1,1,0,0,0,0|1,0,0]=3 577 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [1,1,0,0,0,0|0,0,1]=3 578 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [1,1,0,0,0,0|0,0,2]=4 579 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [1,1,0,0,0,0|0,0,2]=4 580 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [1,1,0,0,0,0|0,0,0]=2 581 B11R1.28 OCCCNC1=CC=NC=C1 Z359301948 [1,1,0,0,0,0|1,0,0]=3 582 B11R1.28 OCCCNC1=NC=CC=C1 Z31220937 [1,1,0,0,0,0|1,0,0]=3 583 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [1,1,0,0,0,0|0,0,0]=2 584 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [1,1,0,0,0,0|1,0,0]=3 585 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [1,1,0,0,0,0|0,0,0]=2 586 B11R1.28 S=C=NCCC1=CC=CC=C1 Z56924472 [1,1,0,0,0,0|0,1,1]=4 587 B11R1.91 CC(C)CNC1=CC=CC=C1 Z2092369729 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [1,1,0,0,0,0|1,0,0]=3 589 B11R1.91 CC(N)COC1=CC=CC=C1 Z600397650 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [1,1,0,0,0,0|1,0,0]=3 591 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [1,1,0,0,0,0|1,0,0]=3 593 B11R1.91 FC(F)SCC1=CC=CC=C1 Z55626056 [1,1,0,0,0,0|2,0,0]=4 594 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [1,1,0,0,0,0|1,0,1]=4 595 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [1,1,0,0,0,0|0,0,2]=4 596 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [1,1,0,0,0,0|0,1,1]=4 597 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [1,1,0,0,0,0|0,0,1]=3 598 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [1,1,0,0,0,0|1,0,1]=4 599 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [1,1,0,0,0,0|1,0,1]=4 600 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [1,1,0,0,0,0|1,0,1]=4 601 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [1,1,0,0,0,0|1,0,1]=4 602 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [1,1,0,0,0,0|1,0,1]=4 603 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [1,1,0,0,0,0|1,0,1]=4 604 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [1,1,0,0,0,0|1,0,1]=4 605 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [1,1,0,0,0,0|1,0,0]=3 606 B11R1.20 CC(=O)CC1=CC=C(C=C1)F Z329711590 [1,1,0,0,0,0|0,0,2]=4 607 B11R1.20 CC(C)CC1=CC=C(C=C1)N Z1463350056 [1,1,0,0,0,0|1,0,0]=3 608 B11R1.20 CC(C)CC1=NC=C(C=C1)Br Z1269179231 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.20 CC(C)NC1=CC=C(C=C1)Cl Z993967140 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.20 CC(C)NC1=CC=C(C=C1)F Z266481896 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.20 CC(C)OC1=CC=C(C=C1)Br Z53834735 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.20 CC(C)OC1=CC=C(C=C1)I Z54181200 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [1,1,0,0,0,0|1,0,0]=3 614 B11R1.20 CC1=CC=C(C=C1)CC(=O)O Z104507548 [1,1,0,0,0,0|0,0,2]=4 615 B11R1.20 CC1=CC=C(C=C1)NC(C)C Z992717194 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.20 CC1=CC=C(C=C1)OC(C)C Z53834229 [1,1,0,0,0,0|2,0,0]=4 617 B11R1.20 CN(C)CC1=CC=C(C=C1)N Z228584348 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.20 NC1=CC=C(C=C1)CC(=O)O Z104481066 [1,1,0,0,0,0|0,0,2]=4 619 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br Z90121253 [1,1,0,0,0,0|0,0,2]=4 620 B11R1.20 O=C(O)CC1=CC=C(C=C1)Cl Z104477676 [1,1,0,0,0,0|0,0,2]=4 621 B11R1.20 O=C(O)CC1=CC=C(C=C1)F Z104477312 [1,1,0,0,0,0|0,0,2]=4 622 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [1,1,0,0,0,0|0,0,2]=4 623 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [1,1,0,0,0,0|0,0,2]=4 624 B11R1.36 CC(C)C(N)C1=CC=NC=C1 Z513796098 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.36 CC(C)C(N)C1=NC=CC=C1 Z513795924 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.36 CC(C)C(O)C1=NC=CC=C1 Z513749462 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 Z199509008 [1,1,0,0,0,0|1,0,1]=4 628 B11R1.36 CC(N)C(C)C1=CC=CC=C1 Z1203578901 [1,1,0,0,0,0|1,0,0]=3 629 B11R1.36 CC(N)C(O)C1=CC=NC=C1 Z1263602353 [1,1,0,0,0,0|2,0,0]=4 630 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [1,1,0,0,0,0|0,0,0]=2 631 B11R1.36 CN(O)C(=O)C1=CC=CC=C1 Z1416187404 [1,1,0,0,0,0|1,0,1]=4 632 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 Z147647142 [1,1,0,0,0,0|0,0,2]=4 633 B11R1.36 NC(C1=CC=CC=C1)C(F)F Z2211231766 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 Z278101784 [1,1,0,0,0,0|0,0,2]=4 635 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 Z957336528 [1,1,0,0,0,0|0,0,2]=4 636 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 Z104495824 [1,1,0,0,0,0|0,0,2]=4 637 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 Z1203161992 [1,1,0,0,0,0|0,0,2]=4 638 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [1,1,0,0,0,0|0,0,2]=4 639 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 Z808230894 [1,1,0,0,0,0|0,0,2]=4 640 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [1,1,0,0,0,0|0,0,2]=4 641 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [1,1,0,0,0,0|0,0,2]=4 642 B11R1.86 CC(=O)CC1=C(C=CC=C1)C Z329711570 [1,1,0,0,0,0|0,0,2]=4 643 B11R1.86 CC(=O)CC1=C(C=CC=C1)Cl Z329711556 [1,1,0,0,0,0|0,0,2]=4 644 B11R1.86 CC(=O)CC1=C(C=CC=C1)I Z1335657335 [1,1,0,0,0,0|0,0,2]=4 645 B11R1.86 CC(=O)CC1=C(C=CC=C1)O Z1198152110 [1,1,0,0,0,0|0,0,2]=4 646 B11R1.86 CC(C)CC1=C(C=CC=C1)N Z1171158156 [1,1,0,0,0,0|1,0,0]=3 647 B11R1.86 CC(C)NC1=C(C=CC=C1)Br Z334939134 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.86 CC(C)NC1=C(C=CC=C1)I Z362774390 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.86 CC(C)OC1=C(C=CC=C1)Br Z54690481 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.86 CC(C)OC1=C(C=CC=C1)Cl Z53833775 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.86 CC(C)OC1=C(C=CC=C1)N Z239604736 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.86 CC(C)SC1=C(C=CC=C1)N Z316174692 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.86 CC(N)CC1=C(C=CC=C1)Br Z1416200939 [1,1,0,0,0,0|1,0,0]=3 654 B11R1.86 CC(N)CC1=C(C=CC=C1)Cl Z415728108 [1,1,0,0,0,0|1,0,0]=3 655 B11R1.86 CC1=C(C=CC=C1)CC(=O)O Z104503424 [1,1,0,0,0,0|0,0,2]=4 656 B11R1.86 CC1=C(C=CC=C1)CC(C)N Z594038086 [1,1,0,0,0,0|1,0,0]=3 657 B11R1.86 CC1=C(C=CC=C1)NC(C)C Z267168760 [1,1,0,0,0,0|2,0,0]=4 658 B11R1.86 CC1=C(C=CN=C1)CC(C)N Z4926043046 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.86 CN(C)CC1=C(C=CC=C1)Cl Z54750062 [1,1,0,0,0,0|2,0,0]=4 660 B11R1.86 CN(C)CC1=C(C=CC=C1)N Z285162890 [1,1,0,0,0,0|2,0,0]=4 661 B11R1.86 CS(=O)CC1=C(C=CC=C1)N Z802580910 [1,1,0,0,0,0|1,0,1]=4 662 B11R1.86 O=C(O)CC1=C(C=CC=C1)Br Z285184626 [1,1,0,0,0,0|0,0,2]=4 663 B11R1.86 O=C(O)CC1=C(C=CC=C1)Cl Z56911957 [1,1,0,0,0,0|0,0,2]=4 664 B11R1.86 O=C(O)CC1=C(C=CC=C1)F Z104495526 [1,1,0,0,0,0|0,0,2]=4 665 B11R1.86 O=C(O)CC1=C(C=CC=C1)I Z1269196288 [1,1,0,0,0,0|0,0,2]=4 666 B11R1.86 O=C(O)CC1=C(C=CC=C1)O Z608061328 [1,1,0,0,0,0|0,0,2]=4 667 B11R1.86 OB(O)CC1=C(C=CC=C1)Cl Z1147227737 [1,1,0,0,0,0|1,0,0]=3 668 B11R1.157 CC(=O)CC1=CC(=CC=C1)Br Z513735382 [1,1,0,0,0,0|0,0,2]=4 669 B11R1.157 CC(=O)CC1=CC(=CC=C1)Cl Z513733552 [1,1,0,0,0,0|0,0,2]=4 670 B11R1.157 CC(=O)CC1=CC(=CC=C1)F Z329711550 [1,1,0,0,0,0|0,0,2]=4 671 B11R1.157 CC(C)CC1=CC(=CC=C1)I Z1618143122 [1,1,0,0,0,0|1,0,0]=3 672 B11R1.157 CC(C)CC1=CC(=NC=C1)N Z1197889925 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.157 CC(C)NC1=CC(=CC=C1)Br Z266469772 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.157 CC(C)NC1=CC(=CC=C1)F Z266497380 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.157 CC(C)NC1=CC(=CC=C1)O Z335562192 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.157 CC(C)OC1=CC(=CC=C1)Br Z53833977 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.157 CC(C)OC1=CC(=CC=C1)N Z239604760 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.157 CC(C)OC1=CC(=CC=C1)O Z381415570 [1,1,0,0,0,0|2,0,0]=4 679 B11R1.157 CC(N)CC1=CC(=CC=C1)Br Z1259341031 [1,1,0,0,0,0|1,0,0]=3 680 B11R1.157 CC(N)CC1=CC(=CC=C1)Cl Z425389644 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.157 CC(N)CC1=CC(=CC=C1)O Z285144026 [1,1,0,0,0,0|1,0,0]=3 682 B11R1.157 CC(O)CC1=CC(=CC=C1)F Z513751286 [1,1,0,0,0,0|0,0,0]=2 683 B11R1.157 CN(C)CC1=CC(=CC=C1)N Z285162888 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.157 CS(=O)CC1=CC(=CC=C1)N Z802580778 [1,1,0,0,0,0|1,0,1]=4 685 B11R1.157 NC1=CC(=CC=C1)CC(=O)O Z992267406 [1,1,0,0,0,0|0,0,2]=4 686 B11R1.157 NC1=CC(=CC=C1)CC(F)F Z4075414750 [1,1,0,0,0,0|2,0,0]=4 687 B11R1.157 O=C(O)CC1=CC(=CC=C1)Br Z285131530 [1,1,0,0,0,0|0,0,2]=4 688 B11R1.157 O=C(O)CC1=CC(=CC=C1)Cl Z285184608 [1,1,0,0,0,0|0,0,2]=4 689 B11R1.157 O=C(O)CC1=CC(=CC=C1)F Z104486030 [1,1,0,0,0,0|0,0,2]=4 690 B11R1.157 O=C(O)CC1=CC(=CC=C1)I Z1269113140 [1,1,0,0,0,0|0,0,2]=4 691 B11R1.157 O=C(O)CC1=CC(=CC=C1)O Z816000338 [1,1,0,0,0,0|0,0,2]=4 692 B11R1.509 O=P(O)(O)CC1=CN=CC=C1 Z1255418137 [1,1,0,0,0,0|2,0,0]=4 693 B11R1.7 CC(C)(CN)C1=CC=CC=C1 Z291234238 [0,1,0,0,1,0|2,0,0]=4 694 B11R1.7 CC(C)(CO)C1=CC=CC=C1 Z397587218 [0,1,0,0,1,0|1,0,0]=3 695 B11R1.7 CC(C)(CO)C1=NC=CC=C1 Z1216821531 [0,1,0,0,1,0|2,0,0]=4 696 B11R1.7 CC(F)(CN)C1=CC=CC=C1 Z2768234774 [0,1,0,0,1,0|2,0,0]=4 697 B11R1.7 CC(N)(CO)C1=CC=CC=C1 Z734150992 [0,1,0,0,1,0|1,0,0]=3 698 B11R1.7 CC(O)(CN)C1=CC=CC=C1 Z979721628 [0,1,0,0,1,0|1,0,0]=3 699 B11R1.7 CCC(C)(N)C1=CC=CC=C1 Z449373366 [0,1,0,0,1,0|2,0,0]=4 700 B11R1.7 CCC(C)(O)C1=CC=CC=C1 Z449373348 [0,1,0,0,1,0|1,0,0]=3 701 B11R1.7 NCC(F)(F)C1=CC=CC=C1 Z2168499583 [0,1,0,0,1,0|2,0,0]=4 702 B11R1.12 CCC(C=O)C1=CC=CC=C1 Z1079132778 [0,1,0,0,1,0|1,0,1]=4 703 B11R1.12 CCC(CN)C1=CC=CC=C1 Z85956799 [0,1,0,0,1,0|2,0,0]=4 704 B11R1.12 CCC(CO)C1=CC=CC=C1 Z397587442 [0,1,0,0,1,0|1,0,0]=3 705 B11R1.12 CNC(CO)C1=CC=CC=C1 Z734147276 [0,1,0,0,1,0|1,0,0]=3 706 B11R1.12 COC(CN)C1=CC=CC=C1 Z285139084 [0,1,0,0,1,0|1,0,0]=3 707 B11R1.12 NCC(CO)C1=CC=CC=C1 Z1198168251 [0,1,0,0,1,0|1,0,0]=3 708 B11R1.12 OCC(CO)C1=CC=CC=C1 Z1255395467 [0,1,0,0,1,0|0,0,0]=2 709 B11R1.22 C=C(CO)C1=CC=C(C=C1)C Z1896562587 [0,1,0,0,1,0|1,0,1]=4 710 B11R1.22 CC(CN)C1=CC=C(C=C1)Br Z2906280360 [0,1,0,0,1,0|2,0,0]=4 711 B11R1.22 CC(CN)C1=CC=C(C=C1)F Z415654954 [0,1,0,0,1,0|2,0,0]=4 712 B11R1.22 CC(CO)C1=CC=C(C=C1)F Z1255440783 [0,1,0,0,1,0|1,0,0]=3 713 B11R1.22 CC1=CC=C(C=C1)C(=O)CO Z228585628 [0,1,0,0,1,0|0,0,2]=4 714 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [0,1,0,0,1,0|2,0,0]=4 715 B11R1.22 CC1=CC=C(C=C1)C(N)CF Z2474474695 [0,1,0,0,1,0|2,0,0]=4 716 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [0,1,0,0,1,0|1,0,0]=3 717 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [0,1,0,0,1,0|1,0,0]=3 718 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [0,1,0,0,1,0|1,0,0]=3 719 B11R1.22 CCC(C)C1=CC=C(C=C1)O Z104484172 [0,1,0,0,1,0|2,0,0]=4 720 B11R1.22 CCC(N)C1=CC=C(C=C1)Br Z90662172 [0,1,0,0,1,0|2,0,0]=4 721 B11R1.22 CCC(N)C1=CC=C(C=C1)C Z90662186 [0,1,0,0,1,0|2,0,0]=4 722 B11R1.22 CCC(N)C1=CC=C(C=C1)Cl Z221421644 [0,1,0,0,1,0|2,0,0]=4 723 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [0,1,0,0,1,0|1,0,0]=3 724 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [0,1,0,0,1,0|1,0,0]=3 725 B11R1.22 CCC(O)C1=CC=C(C=C1)F Z228586174 [0,1,0,0,1,0|1,0,0]=3 726 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [0,1,0,0,1,0|1,0,0]=3 727 B11R1.22 CCC(O)C1=NC=C(C=C1)F Z1341678257 [0,1,0,0,1,0|2,0,0]=4 728 B11R1.22 CC[C@@H](N)C1=CC=C(C=C1)F Z1626921240 [0,1,0,0,1,0|2,0,0]=4 729 B11R1.22 CC[C@H](N)C1=CC=C(C=C1)F Z1625822291 [0,1,0,0,1,0|2,0,0]=4 730 B11R1.22 NC(CF)C1=CC=C(C=C1)Cl Z1510155807 [0,1,0,0,1,0|2,0,0]=4 731 B11R1.22 NC(CO)C1=CC=C(C=C1)Br Z2188171600 [0,1,0,0,1,0|1,0,0]=3 732 B11R1.22 NC(CO)C1=CC=C(C=C1)F Z1268152327 [0,1,0,0,1,0|1,0,0]=3 733 B11R1.22 NCC(O)C1=CC=C(C=C1)Cl Z295878600 [0,1,0,0,1,0|1,0,0]=3 734 B11R1.22 O=C(CO)C1=CC=C(C=C1)Cl Z906206720 [0,1,0,0,1,0|0,0,2]=4 735 B11R1.23 CC(CN)C1=CC(=CC=C1)Br Z5094147873 [0,1,0,0,1,0|2,0,0]=4 736 B11R1.23 CC(CN)C1=CC(=CC=C1)F Z415654914 [0,1,0,0,1,0|2,0,0]=4 737 B11R1.23 CC(CO)C1=CC(=CC=C1)Br Z1269177166 [0,1,0,0,1,0|1,0,0]=3 738 B11R1.23 CC(CO)C1=CC(=CC=C1)Cl Z1222424631 [0,1,0,0,1,0|1,0,0]=3 739 B11R1.23 CC1=CC(=CC=C1)C(O)CN Z336086464 [0,1,0,0,1,0|1,0,0]=3 740 B11R1.23 CCC(N)C1=CC(=CC=C1)Cl Z239627026 [0,1,0,0,1,0|2,0,0]=4 741 B11R1.23 CCC(N)C1=CC(=CC=C1)O Z4164634595 [0,1,0,0,1,0|2,0,0]=4 742 B11R1.23 CCC(O)C1=CC(=CC=C1)Br Z228586280 [0,1,0,0,1,0|1,0,0]=3 743 B11R1.23 CCC(O)C1=CC(=CC=C1)Cl Z335245132 [0,1,0,0,1,0|1,0,0]=3 744 B11R1.23 CCC(O)C1=CC(=CC=C1)N Z1262626036 [0,1,0,0,1,0|1,0,0]=3 745 B11R1.23 NC(CF)C1=CC(=CC=C1)Br Z3210128314 [0,1,0,0,1,0|2,0,0]=4 746 B11R1.23 NC(CF)C1=CC(=CC=C1)Cl Z3445798142 [0,1,0,0,1,0|2,0,0]=4 747 B11R1.23 NC(CF)C1=CC(=CC=C1)F Z3681214901 [0,1,0,0,1,0|2,0,0]=4 748 B11R1.23 NC(CO)C1=CC(=CC=C1)Br Z1438483917 [0,1,0,0,1,0|1,0,0]=3 749 B11R1.23 NC(CO)C1=CC(=CC=C1)Cl Z1695784092 [0,1,0,0,1,0|1,0,0]=3 750 B11R1.23 NC(CO)C1=CC(=CC=C1)F Z1268152384 [0,1,0,0,1,0|1,0,0]=3 751 B11R1.23 NC(CO)C1=CC(=CC=C1)I Z3605387233 [0,1,0,0,1,0|1,0,0]=3 752 B11R1.23 NC(CO)C1=CC(=CC=C1)O Z3247611804 [0,1,0,0,1,0|1,0,0]=3 753 B11R1.23 NC1=CC(=CC=C1)C(O)CO Z970072128 [0,1,0,0,1,0|0,0,0]=2 754 B11R1.23 NCC(O)C1=CC(=CC=C1)Cl Z330910384 [0,1,0,0,1,0|1,0,0]=3 755 B11R1.23 NCC(O)C1=CC(=CC=C1)O Z3041501762 [0,1,0,0,1,0|1,0,0]=3 756 B11R1.222 CC1=C(C=CC=C1)C(N)CF Z3092528504 [0,1,0,0,1,0|2,0,0]=4 757 B11R1.222 CC1=C(C=CC=C1)C(N)CO Z385458414 [0,1,0,0,1,0|1,0,0]=3 758 B11R1.222 CC1=C(C=CC=C1)C(O)CN Z336086534 [0,1,0,0,1,0|1,0,0]=3 759 B11R1.222 CCC(N)C1=C(C=CC=C1)Br Z851790482 [0,1,0,0,1,0|2,0,0]=4 760 B11R1.222 CCC(N)C1=C(C=CC=C1)O Z1266854970 [0,1,0,0,1,0|2,0,0]=4 761 B11R1.222 NC(CF)C1=C(C=CC=C1)Br Z4444282330 [0,1,0,0,1,0|2,0,0]=4 762 B11R1.222 NC(CO)C1=C(C=CC=C1)F Z1268152413 [0,1,0,0,1,0|1,0,0]=3 763 B11R1.222 NC(CO)C1=C(C=CC=C1)I Z2941400807 [0,1,0,0,1,0|1,0,0]=3 764 B11R1.222 NCC(O)C1=C(C=CC=C1)Cl Z1255523275 [0,1,0,0,1,0|1,0,0]=3 765 B11R1.222 O=C(CO)C1=C(C=CC=C1)Cl Z906206760 [0,1,0,0,1,0|0,0,2]=4 766 B11R1.84 N#CC(CO)CC1=CC=CO1 Z239082540 [0,1,0,0,1,0|2,0,0]=4 767 B11R1.84 N#CC(CO)CC1=CC=CS1 Z1098915231 [0,1,0,0,1,0|2,0,0]=4 768 B11R1.84 NCC(CO)CC1=CC=CO1 Z277959632 [0,1,0,0,1,0|2,0,0]=4 769 B11R1.84 NCC(CO)CC1=CSC=C1 Z239685146 [0,1,0,0,1,0|2,0,0]=4 770 B13R1.14 NCC(O)COC1=CC=C(C=C1)F Z271072308 [0,1,0,0,0,1|1,0,0]=3 771 B13R1.14 NCC(O)COC1=CC=C(C=C1)I Z381428032 [0,1,0,0,0,1|1,0,0]=3 772 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)Cl Z199532110 [0,1,0,0,0,1|0,0,2]=4 773 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)F Z431953222 [0,1,0,0,0,1|0,0,2]=4 774 B13R1.14 OCC(O)COC1=CC=C(C=C1)Cl Z995094004 [0,1,0,0,0,1|0,0,0]=2 775 B13R1.14 OCC(O)CSC1=NC=C(C=C1)Cl Z1206315772 [0,1,0,0,0,1|1,0,0]=3 776 B13R1.14 OCC(O)CSC1=NC=C(C=N1)Br Z1340655372 [0,1,0,0,0,1|2,0,0]=4 777 B13R1.15 CC(CO)NCC1=CC(=CC=C1)Br Z425727416 [0,1,0,0,0,1|1,0,0]=3 778 B13R1.15 CC(CO)SCC1=CC(=NC=C1)Cl Z1273056275 [0,1,0,0,0,1|2,0,0]=4 779 B13R1.15 CC1=CC(=CC=C1)OCC(O)CN Z271072304 [0,1,0,0,0,1|1,0,0]=3 780 B13R1.15 NCC(O)COC1=CC(=CC=C1)F Z271072324 [0,1,0,0,0,1|1,0,0]=3 781 B13R1.15 OCC(O)CNC1=CC(=CN=C1)Br Z1663221872 [0,1,0,0,0,1|1,0,0]=3 782 B13R1.15 OCC(O)CSC1=CC(=CC=C1)Br Z1346696335 [0,1,0,0,0,1|0,0,0]=2 783 B13R1.15 OCC(O)CSC1=CC(=CC=C1)Cl Z1346696059 [0,1,0,0,0,1|0,0,0]=2 784 B13R1.42 CC(CCO)NCC1=CC=CC=C1 Z1241678662 [0,1,0,0,0,1|1,0,0]=3 785 B13R1.42 CC(CCO)OCC1=CC=CC=C1 Z1806465434 [0,1,0,0,0,1|1,0,0]=3 786 B13R1.42 CCCC(N)CCC1=CC=CC=C1 Z406453106 [0,1,0,0,0,1|2,0,0]=4 787 B13R1.42 COCC(=O)NCC1=CC=CC=C1 Z31478538 [0,1,0,0,0,1|0,0,2]=4 788 B13R1.42 NCCC(O)CCC1=CC=CC=C1 Z1255452410 [0,1,0,0,0,1|1,0,0]=3 789 B13R1.254 CC(C)(CO)COC1=CC=CC=C1 Z1255499310 [0,1,0,0,0,1|1,0,0]=3 790 B13R1.254 CC(C)(CO)NCC1=CC=CC=C1 Z57328799 [0,1,0,0,0,1|1,0,0]=3 791 B13R1.254 CC(N)(CO)COC1=CC=CC=C1 Z1250155590 [0,1,0,0,0,1|1,0,0]=3 792 B13R1.351 CC(C)C(O)CCC1=CC=CC=C1 Z513750674 [0,1,0,0,0,1|1,0,0]=3 793 B13R1.351 CC(C)C(O)CSC1=CC=CC=C1 Z1258791042 [0,1,0,0,0,1|1,0,0]=3 794 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O Z425469932 [0,1,0,0,0,1|1,0,1]=4 795 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O Z431541708 [0,1,0,0,0,1|1,0,1]=4 796 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O Z426041612 [0,1,0,0,0,1|1,0,1]=4 797 B13R1.351 CC(O)C(=O)NCC1=CC=CC=C1 Z798740028 [0,1,0,0,0,1|0,0,2]=4 798 B13R1.351 CC(O)C(C)OCC1=CC=CC=C1 Z854223056 [0,1,0,0,0,1|1,0,0]=3 799 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O Z316258798 [0,1,0,0,0,1|1,0,1]=4 800 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Z18753939 [0,1,0,0,0,1|1,0,1]=4 801 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O Z1255498772 [0,1,0,0,0,1|1,0,1]=4 802 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [0,1,0,0,0,1|1,0,1]=4 803 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [0,1,0,0,0,1|1,0,1]=4 804 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [0,1,0,0,0,1|1,0,1]=4 805 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 Z1259340035 [0,1,0,0,0,1|0,0,1]=3 806 B13R1.528 CC(CO)NCC1=C(C=CC=C1)Cl Z425448346 [0,1,0,0,0,1|1,0,0]=3 807 B13R1.528 CCC(N)COC1=C(C=CC=C1)F Z1268152369 [0,1,0,0,0,1|2,0,0]=4 808 B13R1.528 NCC(O)COC1=C(C=CC=C1)Br Z295439386 [0,1,0,0,0,1|1,0,0]=3 809 B13R1.528 O=C(CO)NCC1=C(C=CC=C1)Cl Z431953010 [0,1,0,0,0,1|0,0,2]=4 810 B13R1.528 OCC(O)CSC1=C(C=CC=N1)Br Z1340655220 [0,1,0,0,0,1|1,0,0]=3 811 B13R1.528 OC[C@H](O)CNC1=C(C=NC=N1)Cl Z2977558089 [0,1,0,0,0,1|2,0,0]=4 812 B13R1.19 O=S(CCO)CC1=CC=C(C=C1)I Z1614747420 [0,2,0,0,0,0|1,0,1]=4 813 B13R1.44 C#CCNC(C)CC1=CC=CC=C1 Z1633398357 [0,2,0,0,0,0|2,0,0]=4 814 B13R1.44 CCCCC(O)CC1=NC=CC=C1 Z992975716 [0,2,0,0,0,0|2,0,0]=4 815 B13R1.44 CN(CCCO)CC1=CC=CC=C1 Z168889210 [0,2,0,0,0,0|2,0,0]=4 816 B13R1.44 NC(CCCO)CC1=CC=CC=C1 Z1198157366 [0,2,0,0,0,0|1,0,0]=3 817 B13R1.79 CCNC(CC)CC1=CC=CC=C1 Z513799512 [0,2,0,0,0,0|2,0,0]=4 818 B13R1.79 CNC(COC)CC1=CC=CC=C1 Z1836338813 [0,2,0,0,0,0|1,0,0]=3 819 B13R1.348 CC(C)CC(N)CC1=CC=CC=C1 Z3214214500 [0,2,0,0,0,0|2,0,0]=4 820 B13R1.348 CN(C)CC(N)CC1=CC=CC=C1 Z335289212 [0,2,0,0,0,0|2,0,0]=4 821 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 Z1259040954 [0,2,0,0,0,0|2,0,0]=4 822 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [0,2,0,0,0,0|1,0,0]=3 823 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [0,2,0,0,0,0|0,0,0]=2 824 B13R1.1327 CC(O)(CCN)CC1=CC=CC=C1 Z1269757759 [0,2,0,0,0,0|1,0,0]=3 825 B13R1.21 CCC(C)C(N)C1=CC=C(C=C1)Cl Z291232760 [0,2,0,0,0,0|2,0,0]=4 826 B13R1.21 NC(CO)C(O)C1=CC=C(C=C1)Cl Z2670838766 [0,2,0,0,0,0|1,0,0]=3 827 B13R1.152 CC(C(=O)O)C(N)C1=CC=CC=C1 Z1272096620 [0,2,0,0,0,0|1,0,1]=4 828 B13R1.152 CC(C)C(O)C(N)C1=CC=CC=C1 Z385458472 [0,2,0,0,0,0|1,0,0]=3 829 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O Z802846100 [0,2,0,0,0,0|1,0,1]=4 830 B13R1.152 CC(C1=CC=CC=C1)C(O)C(=O)O Z802846688 [0,2,0,0,0,0|0,0,1]=3 831 B13R1.152 CC(N)C(N)C(O)C1=CC=CC=C1 Z2724405896 [0,2,0,0,0,0|2,0,0]=4 832 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 Z1649893051 [0,2,0,0,0,0|1,0,1]=4 833 B13R1.263 NCC(F)(F)C(O)C1=CC=CC=C1 Z5524788105 [0,2,0,0,0,0|2,0,0]=4 834 B13R1.696 CCC(N)C(O)C1=C(C=CC=C1)F Z1297758289 [0,2,0,0,0,0|2,0,0]=4 835 B13R1.708 CCC(N)C(C)(C)C1=CC=CC=C1 Z1082245218 [0,2,0,0,0,0|2,0,0]=4 836 B13R1.708 CCC(O)C(C)(C)C1=CC=CC=C1 Z1082244996 [0,2,0,0,0,0|1,0,0]=3 837 B13R1.708 NCC(O)C(F)(F)C1=CC=CC=C1 Z4443065812 [0,2,0,0,0,0|1,0,0]=3 838 B13R1.133 CC(C)C(N)CC1=CC=C(C=C1)Cl Z513796444 [0,2,0,0,0,0|2,0,0]=4 839 B13R1.133 CC(C)C(N)CC1=CC=C(C=C1)F Z513796714 [0,2,0,0,0,0|2,0,0]=4 840 B13R1.133 CC(C)C(O)CC1=CC=C(C=C1)F Z513750262 [0,2,0,0,0,0|1,0,0]=3 841 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O Z513659390 [0,2,0,0,0,0|1,0,1]=4 842 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [0,2,0,0,0,0|1,0,1]=4 843 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O Z513658938 [0,2,0,0,0,0|1,0,1]=4 844 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O Z1262515083 [0,2,0,0,0,0|1,0,1]=4 845 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O Z513658700 [0,2,0,0,0,0|1,0,1]=4 846 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [0,2,0,0,0,0|1,0,1]=4 847 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [0,2,0,0,0,0|1,0,1]=4 848 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [0,2,0,0,0,0|1,0,1]=4 849 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [0,2,0,0,0,0|1,0,1]=4 850 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O Z995228058 [0,2,0,0,0,0|1,0,1]=4 851 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O Z1269142887 [0,2,0,0,0,0|1,0,1]=4 852 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [0,2,0,0,0,0|1,0,1]=4 853 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [0,2,0,0,0,0|1,0,1]=4 854 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O Z995228438 [0,2,0,0,0,0|1,0,1]=4 855 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O Z1269112635 [0,2,0,0,0,0|1,0,1]=4 856 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [0,2,0,0,0,0|1,0,1]=4 857 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F Z57388220 [0,2,0,0,0,0|1,0,1]=4 858 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F Z1255373692 [0,2,0,0,0,0|0,0,1]=3 859 B13R1.148 CC(CC1=CC(=CC=C1)Cl)C(=O)O Z513660282 [0,2,0,0,0,0|1,0,1]=4 860 B13R1.148 CC(CC1=CC(=CC=C1)F)C(=O)O Z513660066 [0,2,0,0,0,0|1,0,1]=4 861 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O Z2470414651 [0,2,0,0,0,0|1,0,1]=4 862 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O Z1770192944 [0,2,0,0,0,0|1,0,1]=4 863 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O Z1374884687 [0,2,0,0,0,0|1,0,1]=4 864 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O Z317025828 [0,2,0,0,0,0|1,0,1]=4 865 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O Z995228186 [0,2,0,0,0,0|1,0,1]=4 866 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O Z995228562 [0,2,0,0,0,0|1,0,1]=4 867 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Cl Z1269030667 [0,2,0,0,0,0|0,0,1]=3 868 B13R1.202 CC(C)C(O)CC1=C(C=CC=C1)Br Z513750644 [0,2,0,0,0,0|1,0,0]=3 869 B13R1.202 CC(CC1=C(C=CC=C1)Cl)C(=O)O Z513661398 [0,2,0,0,0,0|1,0,1]=4 870 B13R1.202 CC(CC1=C(C=CC=C1)F)C(=O)O Z513661176 [0,2,0,0,0,0|1,0,1]=4 871 B13R1.202 CC1=C(C=CC=C1)CC(C)C(=O)O Z513660952 [0,2,0,0,0,0|1,0,1]=4 872 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O Z2217033050 [0,2,0,0,0,0|1,0,1]=4 873 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O Z1065645436 [0,2,0,0,0,0|1,0,1]=4 874 B13R1.202 O=C(O)C(O)CC1=C(C=CC=C1)Cl Z1269030424 [0,2,0,0,0,0|0,0,1]=3 875 B13R1.353 CC(C)(C)C(N)CC1=CC=CC=C1 Z1268152326 [0,2,0,0,0,0|2,0,0]=4 876 B13R1.353 CC(C)(C)C(O)CC1=CC=CC=C1 Z513751754 [0,2,0,0,0,0|1,0,0]=3 877 B13R1.353 CC(CC1=CC=CC=C1)C(F)(F)F Z1416168820 [0,2,0,0,0,0|2,0,0]=4 878 B13R1.353 O=S(=O)([O-])C(O)CC1=CC=CC=C1 Z1836638623 [0,2,0,0,0,0|1,0,1]=4 879 B13R1.353 OC(CC1=CC=NC=C1)C(Cl)(Cl)Cl Z56764761 [0,2,0,0,0,0|2,0,0]=4 880 B13R1.418 CC(C)C(CN)CC1=CC=CC=C1 Z1809367550 [0,2,0,0,0,0|2,0,0]=4 881 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)O Z513624620 [0,2,0,0,0,0|1,0,0]=3 882 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)O Z274534828 [0,2,0,0,0,0|2,0,0]=4 883 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O Z104484470 [0,2,0,0,0,0|2,0,0]=4 884 B13R1.418 CCC(SC1=CC=CC=C1)C(=O)O Z149157470 [0,2,0,0,0,0|2,0,0]=4 885 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O Z446011606 [0,2,0,0,0,0|1,0,1]=4 886 B13R1.418 COC(CC1=CC=CC=C1)C(=O)N Z2233706113 [0,2,0,0,0,0|0,0,2]=4 887 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O Z1258977185 [0,2,0,0,0,0|0,0,1]=3 888 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O Z1258578382 [0,2,0,0,0,0|1,0,0]=3 889 B13R1.418 NCC(CC1=CC=NC=C1)C(=O)O Z2382197013 [0,2,0,0,0,0|2,0,0]=4 890 B13R1.418 NCC(CC1=CN=CC=C1)C(=O)O Z1601464443 [0,2,0,0,0,0|2,0,0]=4 891 B13R1.418 NCC(CC1=NC=CC=C1)C(=O)O Z1259273372 [0,2,0,0,0,0|2,0,0]=4 892 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O Z995179618 [0,2,0,0,0,0|1,0,1]=4 893 B13R1.1073 CC(C)C(C)(N)CC1=CC=CC=C1 Z2690366626 [0,2,0,0,0,0|2,0,0]=4 894 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O Z2680629352 [0,2,0,0,0,0|1,0,1]=4 895 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(F)F Z3013304115 [0,2,0,0,0,0|2,0,0]=4 896 B13R1.1073 CC(O)(CC1=CC=CC=C1)C(=O)O Z1079110682 [0,2,0,0,0,0|0,0,1]=3 897 B13R1.1073 C[C@@](O)(CC1=CC=CC=C1)C(=O)O Z1198165765 [0,2,0,0,0,0|0,0,1]=3 898 B13R1.1073 C[C@](O)(CC1=CC=CC=C1)C(=O)O Z1198165764 [0,2,0,0,0,0|0,0,1]=3 899 B13R1.5 COC1=CC=C(C=C1)CC(C)CN Z992310982 [0,2,0,0,0,0|2,0,0]=4 900 B13R1.145 CCC(CC1=CC=C(C=C1)C)NC Z513804920 [0,2,0,0,0,0|2,0,0]=4 901 B13R1.145 N#CC(CO)CC1=CC=C(C=C1)F Z851820868 [0,2,0,0,0,0|1,0,0]=3 902 B13R1.145 NCC(CO)CC1=CC=C(C=C1)Br Z1860991556 [0,2,0,0,0,0|1,0,0]=3 903 B13R1.145 NCC(CO)CC1=CC=C(C=C1)Cl Z1324055647 [0,2,0,0,0,0|1,0,0]=3 904 B13R1.145 NCC(CO)CC1=CC=C(C=C1)F Z285055048 [0,2,0,0,0,0|1,0,0]=3 905 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)Br Z2732858926 [0,2,0,0,0,0|1,0,0]=3 906 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)Cl Z2738738577 [0,2,0,0,0,0|1,0,0]=3 907 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)F Z2732860433 [0,2,0,0,0,0|1,0,0]=3 908 B13R1.249 CC1=CC=C(C=C1)CC(C)(N)CO Z5060721709 [0,2,0,0,0,0|1,0,0]=3 909 B13R1.249 OCC(F)(F)OC1=CC=C(C=C1)Br Z3177888887 [0,2,0,0,0,0|2,0,0]=4 910 B13R1.2679 CC1=CC(=C(C=C1)CC(O)CN)C Z1255405058 [0,2,0,0,0,0|1,0,0]=3 911 B13R1.2679 CCC(N)CC1=C(C=C(C=C1)Cl)Cl Z431980076 [0,2,0,0,0,0|2,0,0]=4 912 B13R1.2679 NCC(O)CC1=C(C=C(C=C1)F)F Z1694636386 [0,2,0,0,0,0|1,0,0]=3 913 B13R1.2879 CC1=C(C=C(C=C1)CC(N)CO)C Z2255081939 [0,2,0,0,0,0|1,0,0]=3 914 B13R1.146 CC1=CC(=CC=C1)CC(CN)CO Z285055118 [0,2,0,0,0,0|1,0,0]=3 915 B13R1.146 CCC(CN)CC1=CC(=CC=C1)Br Z992310008 [0,2,0,0,0,0|2,0,0]=4 916 B13R1.146 COC(CC1=CC(=CC=C1)Cl)OC Z1171220883 [0,2,0,0,0,0|2,0,0]=4 917 B13R1.146 N#CC(CO)CC1=CC(=CC=C1)Br Z1098915256 [0,2,0,0,0,0|1,0,0]=3 918 B13R1.146 NCC(CO)CC1=CC(=CC=C1)F Z285055090 [0,2,0,0,0,0|1,0,0]=3 919 B13R1.250 CC(C)(CN)CC1=CC(=CC=C1)Br Z2235409208 [0,2,0,0,0,0|2,0,0]=4 920 B13R1.250 CC(C)(CN)CC1=CC(=CC=C1)Cl Z995183126 [0,2,0,0,0,0|2,0,0]=4 921 B13R1.335 CC1=C(C=CC=C1)CC(CN)CO Z285055100 [0,2,0,0,0,0|1,0,0]=3 922 B13R1.335 COC(CC1=C(C=CC=C1)F)OC Z1147245842 [0,2,0,0,0,0|2,0,0]=4 923 B13R1.335 N#CC(CO)CC1=C(C=CC=C1)Br Z1098915236 [0,2,0,0,0,0|1,0,0]=3 924 B13R1.335 NCC(CO)CC1=C(C=CC=C1)Br Z1860991590 [0,2,0,0,0,0|1,0,0]=3 925 B13R1.335 NCC(CO)CC1=C(C=CC=C1)Cl Z1098916495 [0,2,0,0,0,0|1,0,0]=3 926 B13R1.335 NCC(CO)CC1=C(C=CC=C1)F Z285055188 [0,2,0,0,0,0|1,0,0]=3 927 B13R1.3080 CC(CN)(CO)CC1=CC=CC=C1 Z1198237093 [0,2,0,0,0,0|1,0,0]=3 928 B13R1.275 CC(N)(CO)CC1=C(C=CC=C1)Br Z4498797630 [0,2,0,0,0,0|1,0,0]=3 929 B13R1.275 CC(N)(CO)CC1=C(C=CC=C1)F Z2725040168 [0,2,0,0,0,0|1,0,0]=3 930 B11R2.1 CC1CNC2=C1C=CC=C2 Z415739264 [1,0,0,1,0,0|2,0,0]=4 931 B11R2.1 CC1NCC2=C1C=CC=C2 Z1203731964 [1,0,0,1,0,0|2,0,0]=4 932 B11R2.1 NC1CCC2=C1C=CC=C2 Z168884748 [1,0,0,1,0,0|1,0,0]=3 933 B11R2.1 NC1CSC2=C1C=CC=C2 Z431544668 [1,0,0,1,0,0|2,0,0]=4 934 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 Z1741972748 [1,0,0,1,0,0|1,0,0]=3 935 B11R2.1 O=C1CCC2=C1C=CC=C2 Z104495974 [1,0,0,1,0,0|0,0,2]=4 936 B11R2.1 OB1OCC2=C1C=CC=C2 Z1255356609 [1,0,0,1,0,0|2,0,0]=4 937 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [1,0,0,1,0,0|1,0,0]=3 938 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [1,0,0,1,0,0|1,0,0]=3 939 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [1,0,0,1,0,0|1,0,0]=3 940 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [1,0,0,1,0,0|1,0,0]=3 941 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [1,0,0,1,0,0|1,0,0]=3 942 B11R2.20 C1=CC2=C(C=C1)CCC=C2 Z237493310 [1,0,0,1,0,0|1,0,1]=4 943 B11R2.20 C1=CC2=C(C=C1)CNCC2 Z57834231 [1,0,0,1,0,0|2,0,0]=4 944 B11R2.20 C1=CC2=C(C=C1)COCC2 Z756090080 [1,0,0,1,0,0|2,0,0]=4 945 B11R2.20 C1=CC2=C(C=C1)OCCC2 Z728136016 [1,0,0,1,0,0|0,0,0]=2 946 B11R2.20 C1=CC2=C(C=C1)OCCN2 Z228584850 [1,0,0,1,0,0|1,0,0]=3 947 B11R2.20 C1=CC2=C(C=C1)SCCN2 Z56943460 [1,0,0,1,0,0|1,1,0]=4 948 B11R2.20 C1=CC2=C(C=N1)CCCC2 Z104492180 [1,0,0,1,0,0|2,0,0]=4 949 B11R2.20 C1=CC2=C(C=N1)NCCC2 Z3243651200 [1,0,0,1,0,0|2,0,0]=4 950 B11R2.20 C1=CC2=C(C=N1)NCCO2 Z2217033032 [1,0,0,1,0,0|2,0,0]=4 951 B11R2.20 C1=CC2=C(CCCC2)N=C1 Z1201617100 [1,0,0,1,0,0|2,0,0]=4 952 B11R2.20 C1=CC2=C(CCCN2)N=C1 Z212053854 [1,0,0,1,0,0|2,0,0]=4 953 B11R2.20 C1=CC2=C(N=C1)NCCC2 Z1198176448 [1,0,0,1,0,0|2,0,0]=4 954 B11R2.20 C1=CC2=C(N=C1)OCCN2 Z1201624799 [1,0,0,1,0,0|2,0,0]=4 955 B11R2.238 C1=CC=C(C=C1)CC2CO2 Z1020680006 [1,0,0,1,0,0|0,0,0]=2 956 B11R2.238 C1=CC=C(C=C1)C[C@@H]2CO2 Z1617991494 [1,0,0,1,0,0|0,0,0]=2 957 B11R2.238 C1=CC=C(C=C1)C[C@H]2CO2 Z2216712384 [1,0,0,1,0,0|0,0,0]=2 958 B11R2.238 C1=CC=C(C=C1)NC2CC2 Z1203731288 [1,0,0,1,0,0|2,0,0]=4 959 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [1,0,0,1,0,0|1,0,0]=3 960 B11R2.988 NCC1CC2=C1C=CC=C2 Z234895091 [1,0,0,1,0,0|1,0,0]=3 961 B11R2.10 CC1=CC2=C(O1)C=CC=C2 Z1255386706 [1,0,0,1,0,0|0,0,2]=4 962 B11R2.10 CC1CC2=C(N1)C=CC=C2 Z104472410 [1,0,0,1,0,0|1,0,0]=3 963 B11R2.10 CC1CC2=C(N1)C=CN=C2 Z1203822742 [1,0,0,1,0,0|2,0,0]=4 964 B11R2.10 CC1CC2=C(O1)C=CC=C2 Z104378304 [1,0,0,1,0,0|0,0,0]=2 965 B11R2.10 NC1CC2=C(C1)C=CC=C2 Z1741971562 [1,0,0,1,0,0|1,0,0]=3 966 B11R2.10 NC1CC2=C(C1)C=NC=C2 Z2238944796 [1,0,0,1,0,0|2,0,0]=4 967 B11R2.10 NC1CC2=C(C1)N=CC=C2 Z3069017080 [1,0,0,1,0,0|2,0,0]=4 968 B11R2.10 O=C1CC2=C(C1)C=CC=C2 Z104486120 [1,0,0,1,0,0|0,0,2]=4 969 B11R2.40 CC1(CO1)C2=CC=CC=C2 Z813010616 [0,0,0,1,1,0|1,0,0]=3 970 B11R2.40 NC1(CC1)C2=CC=CC=C2 Z1262398449 [0,0,0,1,1,0|2,0,0]=4 971 B13R2.10 FC1CNC(C1)C2=CC=CC=C2 Z2732815726 [0,0,0,1,0,1|2,0,0]=4 972 B13R2.10 NC1CCC(C1)C2=CC=CC=C2 Z1947438117 [0,0,0,1,0,1|2,0,0]=4 973 B13R2.10 NC1CCN(C1)C2=CC=CC=C2 Z415647888 [0,0,0,1,0,1|2,0,0]=4 974 B13R2.10 NC1COC(C1)C2=CC=CC=C2 Z4657508784 [0,0,0,1,0,1|1,0,0]=3 975 B13R2.10 OC1CCN(C1)C2=CC=CC=C2 Z1198184574 [0,0,0,1,0,1|1,0,0]=3 976 B13R2.10 OC1CNC(C1)C2=CC=CC=C2 Z2298064173 [0,0,0,1,0,1|1,0,0]=3 977 B13R2.32 CC1CCC2=C(C1N)C=CC=C2 Z1539988085 [0,0,0,1,0,1|2,0,0]=4 978 B13R2.32 CC1COC2=C(C1O)C=CC=C2 Z1255453699 [0,0,0,1,0,1|1,0,0]=3 979 B13R2.32 NC1C2=C(C=CC=C2)CCC1F Z2791719028 [0,0,0,1,0,1|2,0,0]=4 980 B13R2.32 NC1C2=C(C=CC=C2)OCC1F Z2830459792 [0,0,0,1,0,1|2,0,0]=4 981 B13R2.32 NC1COC2=C(C1O)C=CC=C2 Z2146515656 [0,0,0,1,0,1|1,0,0]=3 982 B13R2.32 N[C@@H]1COC2=C([C@H]1O)C=CC=C2 Z4354027077 [0,0,0,1,0,1|1,0,0]=3 983 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@@H]1O Z3070471251 [0,0,0,1,0,1|1,0,0]=3 984 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@H]1O Z2901813806 [0,0,0,1,0,1|1,0,0]=3 985 B13R2.32 N[C@H]1C2=C(C=CC=C2)OC[C@H]1O Z3212210130 [0,0,0,1,0,1|1,0,0]=3 986 B13R2.32 O=C1C2=C(C=CC=C2)OCC1O Z1513597915 [0,0,0,1,0,1|0,0,2]=4 987 B13R2.33 CC1CCC2=C(C=CC=C2)NC1 Z5621098910 [0,0,0,1,0,1|2,0,0]=4 988 B13R2.33 CC1CNC2=C(C=CC=C2)NC1 Z558512608 [0,0,0,1,0,1|2,0,0]=4 989 B13R2.33 CC1CNC2=C(C=CC=C2)SC1 Z1521305259 [0,0,0,1,0,1|1,1,0]=4 990 B13R2.33 CC1CSC2=C(C=CC=C2)CN1 Z1262585551 [0,0,0,1,0,1|1,1,0]=4 991 B13R2.50 NC[C@@H]1C[C@H]1CC2=CC=CC=C2 Z3013803470 [0,0,0,1,0,1|2,0,0]=4 992 B13R2.52 OCC1CN(C1)C2=NC=CC=C2 Z1269752693 [0,0,0,1,0,1|2,0,0]=4 993 B13R2.57 CCC1CC2=C(C=CC=C2)CN1 Z979717460 [0,0,0,1,0,1|2,0,0]=4 994 B13R2.57 CCC1CCC2=C(N1)C=CC=C2 Z1198725492 [0,0,0,1,0,1|2,0,0]=4 995 B13R2.57 CCC1CNC2=C(O1)C=CC=C2 Z1198339744 [0,0,0,1,0,1|1,0,0]=3 996 B13R2.57 ClCC1COC2=C(O1)C=CC=C2 Z56950531 [0,0,0,1,0,1|1,0,0]=3 997 B13R2.57 N#CC1COC2=C(O1)C=CC=C2 Z1079179050 [0,0,0,1,0,1|1,0,1]=4 998 B13R2.57 N#CC1CSC2=C(O1)C=CC=C2 Z1837102868 [0,0,0,1,0,1|1,0,1]=4 999 B13R2.57 NCC1CC2=C(C=CC=C2)CN1 Z2752198127 [0,0,0,1,0,1|2,0,0]=4 1000 B13R2.57 NCC1CCC2=C(N1)C=CC=C2 Z1263714153 [0,0,0,1,0,1|2,0,0]=4 1001 B13R2.57 NCC1COC2=C(C1)C=CC=C2 Z96093367 [0,0,0,1,0,1|2,0,0]=4 1002 B13R2.57 NCC1COC2=C(O1)C=CC=C2 Z316170312 [0,0,0,1,0,1|1,0,0]=3 1003 B13R2.57 NCC1CSC2=C(O1)C=CC=C2 Z2379088782 [0,0,0,1,0,1|1,0,0]=3 1004 B13R2.57 OCC1CNC2=C(C1)C=CC=C2 Z359510194 [0,0,0,1,0,1|1,0,0]=3 1005 B13R2.57 OCC1COC2=C(O1)C=CC=C2 Z56943727 [0,0,0,1,0,1|0,0,0]=2 1006 B13R2.57 OCC1COC2=C(O1)N=CC=C2 Z2216303135 [0,0,0,1,0,1|1,0,0]=3 1007 B13R2.57 OCC1CSC2=C(O1)C=CC=C2 Z916847050 [0,0,0,1,0,1|0,0,0]=2 1008 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 Z1198160868 [0,0,0,1,0,1|1,0,0]=3 1009 B13R2.98 C[C@]1(C[C@H]1C2=CC=CC=C2)CN Z2216303059 [0,0,0,1,0,1|2,0,0]=4 1010 B13R2.98 C[C@]1(C[C@H]1C2=CC=CC=C2)CO Z2467454648 [0,0,0,1,0,1|1,0,0]=3 1011 B13R2.373 CC1C(CC1C2=CC=CC=C2)N Z1430540182 [0,0,0,1,0,1|2,0,0]=4 1012 B13R2.2383 C1=CC=C(C=C1)CCC2CNC2 Z2831439423 [0,0,0,1,0,1|2,0,0]=4 1013 B13R2.2383 C1=CC=C(C=C1)CNC2CCC2 Z3013892395 [0,0,0,1,0,1|2,0,0]=4 1014 B13R2.2383 C1=CC=C(C=C1)NCC2CCC2 Z685843986 [0,0,0,1,0,1|2,0,0]=4 1015 B13R2.2531 CC1(COC2=C1C=CC=C2)CN Z5185116445 [0,0,0,1,0,1|2,0,0]=4 1016 B13R2.2531 NC1(CCC2=C1C=CC=C2)CO Z734150984 [0,0,0,1,0,1|1,0,0]=3 1017 B13R2.2531 NCC1(CCC2=C1C=CC=C2)O Z419084888 [0,0,0,1,0,1|1,0,0]=3 1018 B13R2.3203 CC1(CO1)C#CC2=CC=CC=C2 Z4766043711 [0,0,0,1,0,1|1,0,1]=4 1019 B13R2.15 CC1NCCC1C2=CC=CC=C2 Z979418782 [0,1,0,1,0,0|2,0,0]=4 1020 B13R2.15 F[C@@H]1CNC[C@@H]1C2=CC=CC=C2 Z3222118152 [0,1,0,1,0,0|2,0,0]=4 1021 B13R2.15 NC1CCCC1C2=CC=CC=C2 Z993058900 [0,1,0,1,0,0|2,0,0]=4 1022 B13R2.15 N[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z2690083974 [0,1,0,1,0,0|1,0,0]=3 1023 B13R2.15 N[C@@H]1CCO[C@H]1C2=CN=CC=C2 Z2327884249 [0,1,0,1,0,0|2,0,0]=4 1024 B13R2.15 OC1CCCC1C2=CN=CC=C2 Z992949374 [0,1,0,1,0,0|2,0,0]=4 1025 B13R2.15 O[C@@H]1CCC[C@H]1C2=CC=CC=C2 Z2306832376 [0,1,0,1,0,0|1,0,0]=3 1026 B13R2.15 O[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z4203073787 [0,1,0,1,0,0|1,0,0]=3 1027 B13R2.25 O=CC[C@@H]1C[C@H]1C2=CC=CC=C2 Z2582231304 [0,1,0,1,0,0|1,0,1]=4 1028 B13R2.26 NCCC1CC2=C(C1)C=CC=C2 Z851015128 [0,1,0,1,0,0|2,0,0]=4 1029 B13R2.26 OCCN1CC2=C(C1)C=CC=C2 Z1267773680 [0,1,0,1,0,0|2,0,0]=4 1030 B13R2.31 N[C@H]1C[C@@H](C1)CC2=CC=CC=C2 Z5336692620 [0,1,0,1,0,0|2,0,0]=4 1031 B13R2.31 O=C1CC(N1)CC2=CC=CC=C2 Z1198168168 [0,1,0,1,0,0|1,0,1]=4 1032 B13R2.31 OC1CC(C1)CC2=CC=CC=C2 Z1551917814 [0,1,0,1,0,0|1,0,0]=3 1033 B13R2.31 O[C@H]1C[C@H](C1)SC2=CC=CC=C2 Z2690875271 [0,1,0,1,0,0|2,0,0]=4 1034 B13R2.64 C1=CC=C(C=C1)CC2CCCN2 Z237735126 [0,1,0,1,0,0|2,0,0]=4 1035 B13R2.64 C1=CC=C(C=C1)CC2CCNC2 Z979422194 [0,1,0,1,0,0|2,0,0]=4 1036 B13R2.135 CN[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z4716420151 [0,1,0,1,0,0|1,0,0]=3 1037 B13R2.197 C[C@@H]1C[C@@]1(N)CC2=CC=CC=C2 Z3487486148 [0,1,0,1,0,0|2,0,0]=4 1038 B13R2.221 NC1(CCC1)CC2=CC=CC=C2 Z1428160831 [0,1,0,1,0,0|2,0,0]=4 1039 B13R2.328 CN1CC(CC2=C1C=CC=C2)N Z2310670953 [0,1,0,1,0,0|2,0,0]=4 1040 B13R2.444 NC(CC1=CC=CC=C1)C2CC2 Z1695784318 [0,1,0,1,0,0|2,0,0]=4 1041 B13R2.45 CC1=C(OC2=C1C=CC=C2)CO Z1202142721 [0,1,0,1,0,0|0,0,2]=4 1042 B13R2.45 CN[C@@H]1CC2=C([C@@H]1O)C=CC=C2 Z4657916171 [0,1,0,1,0,0|1,0,0]=3 1043 B13R2.45 CO[C@@H]1CC2=C([C@H]1N)C=CC=C2 Z4661669768 [0,1,0,1,0,0|1,0,0]=3 1044 B13R2.45 C[C@H]1C2=C(C=CC=C2)O[C@H]1CN Z2755724050 [0,1,0,1,0,0|1,0,0]=3 1045 B13R2.56 NCC1CCC1C2=CC=CC=C2 Z4003034803 [0,1,0,1,0,0|2,0,0]=4 1046 B13R2.56 O=CC1CCC1C2=CC=CC=C2 Z1509045454 [0,1,0,1,0,0|1,0,1]=4 1047 B13R2.56 OC[C@@H]1NC[C@H]1C2=CC=CC=C2 Z3691037314 [0,1,0,1,0,0|1,0,0]=3 1048 B13R2.382 CC1CC1C(N)C2=CC=CC=C2 Z1695797918 [0,1,0,1,0,0|2,0,0]=4 1049 B13R2.413 CC1(CCC1N)C2=CC=CC=C2 Z1813195198 [0,1,0,1,0,0|2,0,0]=4 1050 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 Z3244520377 [0,1,0,1,0,0|2,0,0]=4 1051 B13R2.8138 CC(C1=CC=CC=C1)C2(CC2)N Z3576390632 [0,1,0,1,0,0|2,0,0]=4 1052 B13R2.359 CC1(C2=C(C=CC=C2)CC1N)C Z5181794095 [0,1,0,1,0,0|2,0,0]=4 1053 B13R2.369 OC1OC2=C(C=CC=C2)OC1O Z56761861 [0,1,0,1,0,0|1,0,0]=3 1054 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 Z1198162290 [0,1,0,1,0,0|1,0,1]=4 1055 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2235584851 [0,1,0,1,0,0|1,0,1]=4 1056 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 Z1235967724 [0,1,0,1,0,0|1,0,1]=4 1057 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 Z1262510970 [0,1,0,1,0,0|1,0,1]=4 1058 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 Z57931417 [0,1,0,1,0,0|0,0,2]=4 1059 B13R2.435 C[C@@H](O)C1=CC2=C(O1)C=CC=C2 Z959151760 [0,1,0,1,0,0|0,0,2]=4 1060 B13R2.435 NC(=O)C1CC2=C(O1)C=CC=C2 Z116821856 [0,1,0,1,0,0|0,0,2]=4 1061 B13R2.435 O=C(O)C1CC2=C(C1)C=CC=C2 Z607808530 [0,1,0,1,0,0|1,0,1]=4 1062 B13R2.435 O=C(O)C1CC2=C(N1)C=CC=C2 Z343211224 [0,1,0,1,0,0|1,0,1]=4 1063 B13R2.435 O=C(O)C1CC2=C(O1)C=CC=C2 Z104377952 [0,1,0,1,0,0|0,0,1]=3 1064 B13R2.435 O=C(O)C1CC2=C(S1)C=CC=C2 Z221583708 [0,1,0,1,0,0|0,1,1]=4 1065 B13R2.435 O=C(O)[C@@H]1CC2=C(N1)C=CC=C2 Z335079490 [0,1,0,1,0,0|1,0,1]=4 1066 B13R2.42 NC[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2286737527 [0,1,0,1,0,0|2,0,0]=4 1067 B13R2.43 NC1=CC2=C(C=C1)OC(=C2)CO Z1262684953 [0,1,0,1,0,0|0,0,2]=4 1068 B13R2.43 NCC1CC2=C(O1)C=CC(=C2)Br Z1269117858 [0,1,0,1,0,0|1,0,0]=3 1069 B13R2.43 OCC1=NC2=C(O1)C=C(C=C2)F Z1416203144 [0,1,0,1,0,0|1,0,1]=4 1070 B13R2.43 OCC1CC2=C(O1)C=CC(=C2)Br Z1269186761 [0,1,0,1,0,0|0,0,0]=2 1071 B13R2.43 OCC1CC2=C(O1)C=CC(=C2)F Z1198725007 [0,1,0,1,0,0|0,0,0]=2 1072 B13R2.148 NC1(CC1)CC2=CC=C(C=C2)Cl Z3244909154 [0,1,0,1,0,0|2,0,0]=4 1073 B13R2.148 NC1(CC1)CC2=CC=C(C=C2)F Z2235812186 [0,1,0,1,0,0|2,0,0]=4 1074 B13R2.1069 ClC1=CC=C(C=C1)CC2CNC2 Z1333043513 [0,1,0,1,0,0|2,0,0]=4 1075 B13R2.1069 FC1=CC=C(C=C1)CC2CNC2 Z1274177347 [0,1,0,1,0,0|2,0,0]=4 1076 B13R2.1069 OC1=CC=C(C=C1)CC2CCC2 Z1513872159 [0,1,0,1,0,0|2,0,0]=4 1077 B13R2.3028 CC1=CC2=C(C=C1)CC(C2N)C Z1625822273 [0,1,0,1,0,0|2,0,0]=4 1078 B13R2.3028 CC1CC2=C(C1N)C=C(C=C2)F Z1398462002 [0,1,0,1,0,0|2,0,0]=4 1079 B13R2.3683 OC1CCC2=C(C1)C=CC(=C2)Br Z449374978 [0,1,0,1,0,0|1,0,0]=3 1080 B13R2.152 CC1(CO1)CC2=CC(=CC=C2)F Z1763013423 [0,1,0,1,0,0|1,0,0]=3 1081 B13R2.155 CC1CNC2=C(C1)C=C(C=C2)F Z5085288248 [0,1,0,1,0,0|2,0,0]=4 1082 B13R2.155 NC1COC2=C(C1)C=C(C=C2)Br Z3225516948 [0,1,0,1,0,0|1,0,0]=3 1083 B13R2.155 NC1COC2=C(C1)C=C(C=C2)F Z2146513958 [0,1,0,1,0,0|1,0,0]=3 1084 B13R2.155 O=C1COC2=C(C1)C=C(C=C2)Br Z1269182618 [0,1,0,1,0,0|0,0,2]=4 1085 B13R2.155 OC1=CC2=C(C=C1)CCC(C2)O Z1513811314 [0,1,0,1,0,0|1,0,0]=3 1086 B13R2.155 OC1CNC2=C(C1)C=C(C=C2)Br Z2733593416 [0,1,0,1,0,0|1,0,0]=3 1087 B13R2.155 OC1CNC2=C(C1)C=C(C=C2)F Z1813139692 [0,1,0,1,0,0|1,0,0]=3 1088 B13R2.3021 FC1=CC(=CC=C1)CC2CNC2 Z1695669957 [0,1,0,1,0,0|2,0,0]=4 1089 B13R2.5179 CC1=C2OCC(CC2=CC=C1)N Z2168541825 [0,1,0,1,0,0|1,0,0]=3 1090 B13R2.5179 CC1CNC2=C(C1)C=CC=C2F Z2739831837 [0,1,0,1,0,0|2,0,0]=4 1091 B13R2.5179 OC1=CC=CC2=C1NCC(C2)O Z2737445967 [0,1,0,1,0,0|1,0,0]=3 1092 B13R2.5190 CC1CC2=C(C1C)C=CC(=C2)O Z1513871470 [0,1,0,1,0,0|2,0,0]=4 1093 B13R2.5190 CC1CC2=C(C1N)C=CC(=C2)Br Z5129562645 [0,1,0,1,0,0|2,0,0]=4 1094 B13R2.101 NCC1(CC1)CC2=CC=CC=C2 Z1262627881 [0,1,0,1,0,0|2,0,0]=4 1095 B13R2.103 CC1(CC2=C(C1)C=CC=C2)CO Z1896371614 [0,1,0,1,0,0|1,0,0]=3 1096 B13R2.103 NC1(CC2=C(C1)C=CC=C2)CO Z734151298 [0,1,0,1,0,0|1,0,0]=3 1097 B13R2.103 NCC1(CC2=C(C1)C=CC=C2)O Z449368636 [0,1,0,1,0,0|1,0,0]=3 1098 B13R2.222 CC1(CCC2=C(C1)C=CC=C2)N Z489303314 [0,1,0,1,0,0|2,0,0]=4 1099 B13R2.222 CC1(CCC2=C(C1)C=CC=C2)O Z489303234 [0,1,0,1,0,0|1,0,0]=3 1100 B13R2.222 CC1(CNC2=C(C1)C=CC=C2)C Z3817108766 [0,1,0,1,0,0|2,0,0]=4 1101 B13R2.243 CC1(CC2=C(C1N)C=CC=C2)C Z4167757602 [0,1,0,1,0,0|2,0,0]=4 1102 B13R2.162 CC1=C2CC(COC2=CC=C1)N Z2587655446 [0,1,0,1,0,0|1,0,0]=3 1103 B13R2.162 NC1COC2=C(C1)C(=CC=C2)Br Z2731860545 [0,1,0,1,0,0|1,0,0]=3 1104 B13R2.162 OC1CCC2=C(C1)C(=CC=C2)Br Z1862026178 [0,1,0,1,0,0|1,0,0]=3 1105 B13R2.215 NC1CCC1C2=C(C=CC=C2)Cl Z1695906760 [0,1,0,1,0,0|2,0,0]=4 1106 B13R2.217 NC1(CC1)CC2=C(C=CC=C2)Br Z2197092667 [0,1,0,1,0,0|2,0,0]=4 1107 B13R2.4825 C[C@@H]1CC2=C(C=CC=C2[C@@H]1N)Cl Z3172815917 [0,1,0,1,0,0|2,0,0]=4 1108 B13R2.5225 ClC1=C(C=CC=C1)CC2CNC2 Z1272948979 [0,1,0,1,0,0|2,0,0]=4 1109 B13R2.5225 FC1=C(C=CC=C1)CC2CNC2 Z1270502317 [0,1,0,1,0,0|2,0,0]=4 1110 B13R3.3800 N[C@@H]1[C@@H]2[C@H]1C3=C(C2)C=CC=C3 Z2888819437 [0,0,0,2,0,0|2,0,0]=4 1111 B13R3.28 C1=CC2=C(C=C1)[C@@H]3O[C@@H]3CC2 Z3177279256 [0,0,0,2,0,0|1,0,0]=3 1112 B9R1.12 NCCCN1C=CC=C1 Z600497510 [1,0,0,0,1,0|2,0,0]=4 1113 B9R1.12 OCCCC1=CNC=N1 Z1142681983 [1,0,0,0,1,0|2,0,0]=4 1114 B9R1.12 OCCCC1=CNN=C1 Z826006476 [1,0,0,0,1,0|2,0,0]=4 1115 B9R1.12 OCCCC1=COC=C1 Z1198265634 [1,0,0,0,1,0|1,0,0]=3 1116 B9R1.12 OCCCC1=CSC=C1 Z993012564 [1,0,0,0,1,0|1,0,0]=3 1117 B9R1.12 OCCCC1=CSC=N1 Z1270133079 [1,0,0,0,1,0|2,0,0]=4 1118 B9R1.12 OCCCC1=NC=CN1 Z2771661063 [1,0,0,0,1,0|2,0,0]=4 1119 B9R1.12 OCCCN1C=CC=N1 Z425794826 [1,0,0,0,1,0|2,0,0]=4 1120 B9R1.12 OCCCN1C=CN=C1 Z425794726 [1,0,0,0,1,0|2,0,0]=4 1121 B9R1.6 CC(=O)C1=CC=CC=C1 Z57127548 [1,0,0,0,1,0|0,0,2]=4 1122 B9R1.6 CC(C)C1=NC=CC=C1 Z1198148831 [1,0,0,0,1,0|2,0,0]=4 1123 B9R1.6 CC(N)C1=CC=CC=C1 Z57102377 [1,0,0,0,1,0|1,0,0]=3 1124 B9R1.6 CC(N)C1=CN=CC=C1 Z85921957 [1,0,0,0,1,0|2,0,0]=4 1125 B9R1.6 CC(N)C1=NC=CC=C1 Z56347059 [1,0,0,0,1,0|2,0,0]=4 1126 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [1,0,0,0,1,0|0,0,0]=2 1127 B9R1.6 CC(O)C1=CC=NC=C1 Z335245082 [1,0,0,0,1,0|1,0,0]=3 1128 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [1,0,0,0,1,0|1,0,0]=3 1129 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [1,0,0,0,1,0|1,0,0]=3 1130 B9R1.6 CC(O)C1=NC=CN=C1 Z513751834 [1,0,0,0,1,0|2,0,0]=4 1131 B9R1.6 CN(N)C1=CC=CC=C1 Z57985384 [1,0,0,0,1,0|2,0,0]=4 1132 B9R1.6 C[C@@H](N)C1=CC=CC=C1 Z1079183182 [1,0,0,0,1,0|1,0,0]=3 1133 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Z1197994836 [1,0,0,0,1,0|2,0,0]=4 1134 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [1,0,0,0,1,0|0,0,0]=2 1135 B9R1.6 C[C@H](N)C1=CC=CC=C1 Z1079131570 [1,0,0,0,1,0|1,0,0]=3 1136 B9R1.6 C[C@H](N)C1=CC=NC=C1 Z1492781304 [1,0,0,0,1,0|2,0,0]=4 1137 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [1,0,0,0,1,0|0,0,0]=2 1138 B9R1.6 O=C(O)C1=CC=CC=C1 Z57127480 [1,0,0,0,1,0|0,0,2]=4 1139 B9R1.6 OB(O)C1=CC=CC=C1 Z111782400 [1,0,0,0,1,0|1,0,0]=3 1140 B9R1.6 OB(O)C1=CC=NC=C1 Z285038904 [1,0,0,0,1,0|2,0,0]=4 1141 B9R1.6 OB(O)C1=CN=CC=C1 Z608482642 [1,0,0,0,1,0|2,0,0]=4 1142 B9R1.13 CC(N)CC1=CC=CO1 Z285143986 [1,0,0,0,1,0|2,0,0]=4 1143 B9R1.13 CC(N)CC1=CC=CS1 Z1160899518 [1,0,0,0,1,0|2,0,0]=4 1144 B9R1.13 CC(N)CC1=COC=C1 Z1098234443 [1,0,0,0,1,0|2,0,0]=4 1145 B9R1.13 CC(O)CN1C=CC=N1 Z600458296 [1,0,0,0,1,0|2,0,0]=4 1146 B9R1.13 CC(O)CN1C=CN=C1 Z600458136 [1,0,0,0,1,0|2,0,0]=4 1147 B9R1.11 NC(CO)C1=CC=CO1 Z1255405023 [0,0,0,0,2,0|2,0,0]=4 1148 B9R1.11 NCC(O)C1=COC=C1 Z1198261509 [0,0,0,0,2,0|2,0,0]=4 1149 B9R1.11 NCC(O)C1=CSC=C1 Z330910460 [0,0,0,0,2,0|2,0,0]=4 1150 B13R1.718 CC(CN)COCC1=CC=CC=C1 Z812516860 [0,0,0,0,0,2|2,0,0]=4 1151 B13R1.718 CC(CO)OCCC1=CC=CC=C1 Z2235681135 [0,0,0,0,0,2|1,0,0]=3 1152 B13R1.718 CCC(O)CNCC1=CC=CC=C1 Z600449726 [0,0,0,0,0,2|1,0,0]=3