0 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.17 C#CCOC1=NC=CC=N1 Z1198278527 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.17 CCCNC1=CN=CC=C1 Z334882412 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 CCCOC1=NC=CN=C1 Z2182020100 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.17 N#CCNC1=CC=CC=C1 Z56347332 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.17 N#CCNC1=NC=CC=C1 Z1203732480 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.17 N#CCOC1=CC=CC=C1 Z53792061 [0,0,0,0,0,0|1,0,1]=2 15 B10R1.17 N#CCSC1=CC=CC=C1 Z19751391 [0,0,0,0,0,0|1,1,1]=3 16 B10R1.17 N#CCSC1=NC=CC=C1 Z54336898 [0,0,0,0,0,0|2,1,1]=4 17 B10R1.17 NC/C=C/C1=CC=CC=C1 Z2953771905 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.17 NCC#CC1=CC=CC=C1 Z227964210 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.17 NCCNC1=CC=NC=C1 Z317257862 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.17 NCCNC1=NC=CC=C1 Z85923460 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [0,0,0,0,0,0|1,0,1]=2 25 B10R1.17 NCCOC1=CC=NC=C1 Z3243651499 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.17 NCCOC1=CN=CC=C1 Z429662874 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.17 NCCOC1=NC=CC=N1 Z4381809298 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [0,0,0,0,0,0|1,1,1]=3 29 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.17 O=C/C=C/C1=CC=CC=C1 Z3219847383 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.17 O=C/C=C/C1=CC=NC=C1 Z2417822722 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.17 O=C/C=C/C1=NC=CC=C1 Z1255366309 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.17 O=CC#CC1=CC=CC=C1 Z1255485337 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [0,0,0,0,0,0|1,0,0]=1 39 B10R1.17 O=CCOC1=NC=CC=C1 Z1255434510 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.17 O=CNNC1=CC=CC=C1 Z1198148433 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [0,0,0,0,0,0|2,0,2]=4 43 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.17 OCCNC1=CC=NC=C1 Z359301874 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.17 OCCNC1=NC=CC=C1 Z31212159 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [0,0,0,0,0,0|1,0,1]=2 49 B10R1.17 OCCOC1=CN=CC=C1 Z1180078238 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [0,0,0,0,0,0|1,1,1]=3 51 B10R1.17 S=C=NCC1=CC=CC=C1 Z56869309 [0,0,0,0,0,0|3,0,1]=4 52 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [1,0,0,0,0,0|0,0,2]=3 53 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.8 CCNC1=CC=NC=C1 Z359297730 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.8 CCSC1=CC=NC=C1 Z1376454759 [1,0,0,0,0,0|1,1,1]=4 58 B9R1.8 CNCC1=CC=NC=C1 Z57390007 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 N#CCC1=CN=CC=C1 Z239871646 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 N#CCC1=NC=CC=C1 Z104476888 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 N#COC1=CC=CC=C1 Z1198165353 [1,0,0,0,0,0|1,0,1]=3 64 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.8 NNCC1=CN=CC=C1 Z370706826 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.8 S=C=NC1=CC=CC=C1 Z56904678 [1,0,0,0,0,0|2,0,1]=4 75 B11R1.1 BrCCOC1=CC=C(C=C1)Br Z56887702 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.1 C#CCNC1=CC=C(C=C1)C Z266486858 [0,1,0,0,0,0|1,0,2]=4 77 B11R1.1 C#CCNC1=CC=C(C=C1)Cl Z3210379676 [0,1,0,0,0,0|1,0,2]=4 78 B11R1.1 C#CCNC1=CC=C(C=C1)F Z3210380008 [0,1,0,0,0,0|1,0,2]=4 79 B11R1.1 C#CCOC1=CC=C(C=C1)Br Z54475590 [0,1,0,0,0,0|0,0,2]=3 80 B11R1.1 C#CCOC1=CC=C(C=C1)C Z54775509 [0,1,0,0,0,0|0,0,2]=3 81 B11R1.1 C#CCOC1=CC=C(C=C1)Cl Z54472184 [0,1,0,0,0,0|0,0,2]=3 82 B11R1.1 C#CCOC1=CC=C(C=C1)F Z54473259 [0,1,0,0,0,0|0,0,2]=3 83 B11R1.1 C#CCOC1=CC=C(C=C1)N Z730512948 [0,1,0,0,0,0|0,0,2]=3 84 B11R1.1 C=CCOC1=CC=C(C=C1)O Z381414818 [0,1,0,0,0,0|0,0,0]=1 85 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.1 CC1=CC=C(C=C1)NCC#N Z56855172 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.1 CC1=CC=C(C=C1)OCCBr Z56886357 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.1 CC1=CC=C(C=C1)OCCN Z54747869 [0,1,0,0,0,0|1,0,1]=3 89 B11R1.1 CC1=CC=C(C=C1)SCC#N Z54591058 [0,1,0,0,0,0|1,1,1]=4 90 B11R1.1 CC1=CC=C(C=C1)SCCCl Z90122598 [0,1,0,0,0,0|1,1,1]=4 91 B11R1.1 CC1=CC=C(C=C1)SCCO Z149178580 [0,1,0,0,0,0|1,1,1]=4 92 B11R1.1 CC1=NC=C(C=C1)CCC=O Z1233208116 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [0,1,0,0,0,0|1,0,2]=4 94 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [0,1,0,0,0,0|1,0,2]=4 95 B11R1.1 CCCOC1=CC=C(C=C1)N Z239604724 [0,1,0,0,0,0|0,0,2]=3 96 B11R1.1 CNCCC1=CC=C(C=C1)Br Z385447024 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.1 CNCCC1=CC=C(C=C1)C Z5115849578 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.1 CNCCC1=CC=C(C=C1)F Z138454998 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.1 COCCC1=CC=C(C=C1)Br Z299596190 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.1 COCCC1=CC=C(C=C1)Cl Z1470894103 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.1 COCOC1=CC=C(C=C1)N Z1259226853 [0,1,0,0,0,0|1,0,1]=3 104 B11R1.1 CSCCC1=CC=C(C=C1)N Z732207426 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.1 ClC1=CC=C(C=C1)OCCBr Z56926557 [0,1,0,0,0,0|1,0,1]=3 106 B11R1.1 ClCCSC1=CC=C(C=C1)Cl Z55993025 [0,1,0,0,0,0|1,1,1]=4 107 B11R1.1 FCCOC1=CC=C(C=C1)Br Z1269166672 [0,1,0,0,0,0|1,0,1]=3 108 B11R1.1 N#CCCC1=CC=C(C=C1)N Z4750298565 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.1 N#CCNC1=CC=C(C=C1)Br Z266466556 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.1 N#CCOC1=CC=C(C=C1)Cl Z54608574 [0,1,0,0,0,0|1,0,1]=3 111 B11R1.1 N#CCOC1=CC=C(C=C1)F Z53791434 [0,1,0,0,0,0|1,0,1]=3 112 B11R1.1 N#CCOC1=CC=C(C=C1)N Z57052858 [0,1,0,0,0,0|1,0,1]=3 113 B11R1.1 N#CCSC1=CC=C(C=C1)Br Z18744575 [0,1,0,0,0,0|1,1,1]=4 114 B11R1.1 N#CCSC1=CC=C(C=C1)Cl Z19728982 [0,1,0,0,0,0|1,1,1]=4 115 B11R1.1 N#CCSC1=CC=C(C=C1)F Z16034822 [0,1,0,0,0,0|1,1,1]=4 116 B11R1.1 NC1=CC=C(C=C1)OCCF Z1262631146 [0,1,0,0,0,0|1,0,1]=3 117 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.1 NCCOC1=CC=C(C=C1)Br Z1262237188 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.1 NCCOC1=CC=C(C=C1)Cl Z85957193 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.1 NCCOC1=CC=C(C=C1)F Z87000937 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.1 NCCOC1=CC=C(C=C1)I Z381428104 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.1 NCCOC1=NC=C(C=C1)Cl Z1421528823 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.1 NCCSC1=CC=C(C=C1)Br Z262221984 [0,1,0,0,0,0|1,1,1]=4 130 B11R1.1 NCCSC1=CC=C(C=C1)Cl Z54751093 [0,1,0,0,0,0|1,1,1]=4 131 B11R1.1 NCCSC1=CC=C(C=C1)F Z1267773811 [0,1,0,0,0,0|1,1,1]=4 132 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Br Z1269187977 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Cl Z2242062296 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.1 O=C/C=C/C1=CC=C(C=C1)F Z2768202189 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.1 O=CCOC1=CC=C(C=C1)F Z854102568 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.1 O=CCSC1=CC=C(C=C1)F Z854102782 [0,1,0,0,0,0|1,1,0]=3 140 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.1 OCCNC1=CC=C(C=C1)Br Z335275406 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.1 OCCOC1=CC=C(C=C1)Br Z335092354 [0,1,0,0,0,0|1,0,1]=3 143 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.1 OCCOC1=NC=C(C=C1)Br Z808609020 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.1 OCCSC1=CC=C(C=C1)Br Z149190682 [0,1,0,0,0,0|1,1,1]=4 146 B11R1.1 OCCSC1=CC=C(C=C1)Cl Z149162370 [0,1,0,0,0,0|1,1,1]=4 147 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.16 C#CCN(C)C1=CC=CC=C1 Z103708484 [0,1,0,0,0,0|1,0,2]=4 149 B11R1.16 C/C=C/C(=O)C1=CC=CC=C1 Z2259130553 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.16 C=CCC(N)C1=CC=NC=C1 Z1268152401 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [0,1,0,0,0,0|1,0,2]=4 154 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [0,1,0,0,0,0|1,0,2]=4 155 B11R1.16 CN(CCN)C1=CC=CC=C1 Z154669318 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.16 CN(CCO)C1=CC=CC=C1 Z138702688 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.16 CSCC(=O)C1=CC=CC=C1 Z732208586 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.16 N#CCC(=O)C1=CC=CC=C1 Z56899088 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.16 NCCS(=O)C1=CC=CC=C1 Z1266854955 [0,1,0,0,0,0|1,1,1]=4 166 B11R1.16 O=C(CCCl)C1=CC=CC=C1 Z1065610596 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.16 O=S(CCCl)C1=CC=CC=C1 Z421771494 [0,1,0,0,0,0|1,1,1]=4 168 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.17 C#CCNC1=C(C=CC=C1)F Z267213460 [0,1,0,0,0,0|1,0,2]=4 171 B11R1.17 C#CCOC1=C(C=CC=C1)Cl Z54471915 [0,1,0,0,0,0|0,0,2]=3 172 B11R1.17 C#CCOC1=C(C=CC=C1)F Z54554294 [0,1,0,0,0,0|0,0,2]=3 173 B11R1.17 C#CCOC1=C(C=CC=C1)N Z730514548 [0,1,0,0,0,0|0,0,2]=3 174 B11R1.17 C#CCOC1=C(C=CC=C1)O Z381415368 [0,1,0,0,0,0|0,0,2]=3 175 B11R1.17 C#CCOC1=C(N=CC=C1)Br Z1258720198 [0,1,0,0,0,0|1,0,2]=4 176 B11R1.17 C=CCSC1=C(C=CC=C1)N Z89272864 [0,1,0,0,0,0|0,1,0]=2 177 B11R1.17 CC1=C(C=CC=C1)CCCN Z424782962 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.17 CC1=C(C=CC=C1)CCCO Z979436644 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.17 CC1=C(C=CC=C1)OCC#N Z53791706 [0,1,0,0,0,0|1,0,1]=3 180 B11R1.17 CC1=C(C=CC=C1)OCCN Z223656356 [0,1,0,0,0,0|1,0,1]=3 181 B11R1.17 CC1=C(C=NC=C1)CCC=O Z1270653786 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.17 CCCNC1=C(C=CC=C1)F Z334942896 [0,1,0,0,0,0|1,0,2]=4 183 B11R1.17 CCCNC1=C(C=CC=C1)N Z94601320 [0,1,0,0,0,0|1,0,2]=4 184 B11R1.17 CCCOC1=C(C=CC=C1)Br Z54722000 [0,1,0,0,0,0|0,0,2]=3 185 B11R1.17 CCCOC1=C(C=CC=C1)N Z56968930 [0,1,0,0,0,0|0,0,2]=3 186 B11R1.17 CCCOC1=C(C=CC=C1)O Z55993120 [0,1,0,0,0,0|0,0,2]=3 187 B11R1.17 CNCCC1=C(C=CC=C1)C Z2234185664 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.17 CNCCC1=C(C=CC=C1)Cl Z4935566656 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.17 CNCCC1=C(C=CC=C1)F Z163192604 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.17 CNCCC1=C(C=CC=C1)O Z1665033474 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.17 COCCC1=C(C=CC=C1)N Z992259832 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.17 ClC1=C(C=CC=C1)OCCBr Z56886267 [0,1,0,0,0,0|1,0,1]=3 193 B11R1.17 N#CCCC1=C(C=CC=C1)Br Z815260584 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.17 N#CCOC1=C(C=CC=C1)Br Z54684411 [0,1,0,0,0,0|1,0,1]=3 195 B11R1.17 N#CCSC1=C(C=CC=C1)Br Z149386606 [0,1,0,0,0,0|1,1,1]=4 196 B11R1.17 N#CCSC1=C(C=CC=C1)Cl Z18459623 [0,1,0,0,0,0|1,1,1]=4 197 B11R1.17 N#CCSC1=C(C=CC=C1)F Z18098612 [0,1,0,0,0,0|1,1,1]=4 198 B11R1.17 NC1=C(C=CC=C1)CCCO Z1198265858 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.17 NC1=C(C=CC=C1)NCCO Z55928991 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.17 NC1=C(C=CC=C1)OCCO Z3445703033 [0,1,0,0,0,0|1,0,1]=3 201 B11R1.17 NCCCC1=C(C=CC=C1)Cl Z1695729033 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.17 NCCCC1=C(C=CC=C1)F Z424783030 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.17 NCCNC1=C(C=CC=C1)N Z991530054 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.17 NCCOC1=C(C=CC=C1)Br Z803145324 [0,1,0,0,0,0|1,0,1]=3 205 B11R1.17 NCCOC1=C(C=CC=C1)Cl Z54747867 [0,1,0,0,0,0|1,0,1]=3 206 B11R1.17 NCCOC1=C(C=CC=C1)F Z1272739857 [0,1,0,0,0,0|1,0,1]=3 207 B11R1.17 NCCOC1=C(C=CC=C1)O Z3217405430 [0,1,0,0,0,0|1,0,1]=3 208 B11R1.17 NCCOC1=C(C=CC=N1)Cl Z1421528240 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.17 NCCSC1=C(C=CC=C1)F Z57971449 [0,1,0,0,0,0|1,1,1]=4 210 B11R1.17 NNCCC1=C(C=CC=C1)F Z285144176 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.17 O=CCCC1=C(C=CC=C1)F Z993017602 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.17 OCCCC1=C(C=CC=C1)Br Z992949552 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.17 OCCOC1=C(C=CC=C1)Br Z149303034 [0,1,0,0,0,0|1,0,1]=3 214 B11R1.17 OCCOC1=C(C=CC=C1)F Z425795714 [0,1,0,0,0,0|1,0,1]=3 215 B11R1.17 OCCOC1=C(C=CC=C1)O Z56755902 [0,1,0,0,0,0|1,0,1]=3 216 B11R1.17 OCCSC1=C(C=CC=C1)Br Z149386602 [0,1,0,0,0,0|1,1,1]=4 217 B11R1.17 OCCSC1=C(C=CC=C1)Cl Z149174540 [0,1,0,0,0,0|1,1,1]=4 218 B11R1.24 BrCCOC1=CC(=CC=C1)Br Z56886268 [0,1,0,0,0,0|1,0,1]=3 219 B11R1.24 C#CCNC1=CC=CC(=C1)F Z3210379881 [0,1,0,0,0,0|1,0,2]=4 220 B11R1.24 C#CCOC1=CC=CC(=C1)Br Z54473729 [0,1,0,0,0,0|0,0,2]=3 221 B11R1.24 C#CCOC1=CC=CC(=C1)C Z54472997 [0,1,0,0,0,0|0,0,2]=3 222 B11R1.24 C#CCOC1=CC=CC(=C1)Cl Z54474446 [0,1,0,0,0,0|0,0,2]=3 223 B11R1.24 C#CCOC1=CC=CC(=C1)F Z54472195 [0,1,0,0,0,0|0,0,2]=3 224 B11R1.24 C#CCOC1=CC=CC(=C1)N Z730509748 [0,1,0,0,0,0|0,0,2]=3 225 B11R1.24 C#CCOC1=CC=CC(=C1)O Z381415784 [0,1,0,0,0,0|0,0,2]=3 226 B11R1.24 C=CCCC1=CC=CC(=C1)Br Z1269162615 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.24 C=CCOC1=CC=CC(=C1)N Z274779170 [0,1,0,0,0,0|0,0,0]=1 228 B11R1.24 CC1=CC(=CC=C1)CCCN Z4993130622 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.24 CC1=CC(=CC=C1)CCCO Z979436642 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.24 CC1=CC(=CC=C1)OCCBr Z56886266 [0,1,0,0,0,0|1,0,1]=3 231 B11R1.24 CC1=CC(=CC=C1)OCCN Z85926240 [0,1,0,0,0,0|1,0,1]=3 232 B11R1.24 CC1=CC(=CN=C1)CCC=O Z1492427371 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.24 CCCOC1=CC(=CC=C1)Br Z54848718 [0,1,0,0,0,0|0,0,2]=3 234 B11R1.24 CCCOC1=CC(=CC=C1)N Z239604770 [0,1,0,0,0,0|0,0,2]=3 235 B11R1.24 CCCOC1=CC(=CC=C1)O Z381415572 [0,1,0,0,0,0|0,0,2]=3 236 B11R1.24 CNCCC1=CC(=CC=C1)Br Z2168282744 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.24 CNCCC1=CC(=CC=C1)O Z4924737523 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.24 COCCC1=CC(=CC=C1)O Z1513911027 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.24 N#CCNC1=CC=CC(=C1)Cl Z266494142 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.24 N#CCNC1=CC=CC(=C1)F Z266497222 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.24 N#CCOC1=CC=CC(=C1)N Z285182504 [0,1,0,0,0,0|1,0,1]=3 242 B11R1.24 N#CCOC1=CC=CC(=C1)O Z381415714 [0,1,0,0,0,0|1,0,1]=3 243 B11R1.24 N#CCSC1=CC=CC(=C1)Br Z1020820468 [0,1,0,0,0,0|1,1,1]=4 244 B11R1.24 NC1=CC(=CC=C1)CCCO Z1198265859 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.24 NC1=CC(=CC=C1)OCCF Z1262657442 [0,1,0,0,0,0|1,0,1]=3 246 B11R1.24 NCCCC1=CC(=CC=C1)Br Z1266823414 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.24 NCCCC1=CC(=CC=C1)Cl Z1262246154 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.24 NCCCC1=CC(=CC=C1)F Z424782946 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.24 NCCCC1=CC(=CC=C1)O Z1895582955 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.24 NCCOC1=CC(=CC=C1)Br Z744843646 [0,1,0,0,0,0|1,0,1]=3 251 B11R1.24 NCCOC1=CC(=CC=C1)Cl Z425484860 [0,1,0,0,0,0|1,0,1]=3 252 B11R1.24 NCCOC1=CC(=CC=C1)F Z381785786 [0,1,0,0,0,0|1,0,1]=3 253 B11R1.24 O=C/C=C/C1=CC=CC(=C1)F Z1198179803 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.24 O=CCCC1=CC=CC(=C1)Cl Z993017744 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.24 O=CCCC1=CC=CC(=C1)F Z993017622 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.24 O=CCCC1=CN=CC(=C1)F Z1233207916 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.24 OCCNC1=CC(=CC=C1)F Z335274246 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.24 OCCOC1=CC(=CC=C1)Br Z335092356 [0,1,0,0,0,0|1,0,1]=3 259 B11R1.24 OCCOC1=CC(=CC=C1)Cl Z149166432 [0,1,0,0,0,0|1,0,1]=3 260 B11R1.24 OCCOC1=CC(=CN=C1)Br Z1206893175 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.28 BrCCCOC1=CC=CC=C1 Z90122132 [0,1,0,0,0,0|0,0,2]=3 262 B11R1.28 C#CCCOC1=CC=CC=C1 Z1143222703 [0,1,0,0,0,0|0,0,2]=3 263 B11R1.28 C#CCNCC1=CC=CC=C1 Z2082999436 [0,1,0,0,0,0|1,0,2]=4 264 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [0,1,0,0,0,0|1,0,0]=2 265 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [0,1,0,0,0,0|1,0,2]=4 266 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [0,1,0,0,0,0|1,0,2]=4 267 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [0,1,0,0,0,0|1,0,2]=4 268 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [0,1,0,0,0,0|1,0,2]=4 269 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [0,1,0,0,0,0|1,0,2]=4 270 B11R1.28 CNCCOC1=CC=CC=C1 Z56945505 [0,1,0,0,0,0|0,0,2]=3 271 B11R1.28 COCCNC1=CC=CC=C1 Z266463556 [0,1,0,0,0,0|1,0,2]=4 272 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [0,1,0,0,0,0|0,0,2]=3 273 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.28 N#CCCNC1=CC=CC=C1 Z56915949 [0,1,0,0,0,0|1,0,2]=4 275 B11R1.28 N#CCCOC1=CC=CC=C1 Z54337114 [0,1,0,0,0,0|0,0,2]=3 276 B11R1.28 N#CCNCC1=CC=CC=C1 Z266079624 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.28 N#CCOCC1=CC=CC=C1 Z295205356 [0,1,0,0,0,0|1,0,1]=3 278 B11R1.28 N#CCSCC1=CC=CC=C1 Z54337756 [0,1,0,0,0,0|1,1,1]=4 279 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [0,1,0,0,0,0|1,0,2]=4 281 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [0,1,0,0,0,0|0,0,2]=3 282 B11R1.28 NCCCOC1=CC=NC=C1 Z976694292 [0,1,0,0,0,0|1,0,2]=4 283 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [0,1,0,0,0,0|0,1,2]=4 284 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [0,1,0,0,0,0|1,0,1]=3 285 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [0,1,0,0,0,0|1,0,1]=3 286 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [0,1,0,0,0,0|1,0,0]=2 287 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [0,1,0,0,0,0|1,1,0]=3 288 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [0,1,0,0,0,0|1,0,2]=4 289 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [0,1,0,0,0,0|0,1,2]=4 290 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [0,1,0,0,0,0|1,0,1]=3 291 B11R1.28 S=C=NCCC1=CC=CC=C1 Z56924472 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [0,1,0,0,0,0|1,0,2]=4 293 B11R1.40 C/C(=C\C1=CC=CC=C1)/C=O Z3219847417 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.40 C=CC(=O)NC1=CC=CC=C1 Z440633536 [0,1,0,0,0,0|1,0,1]=3 295 B11R1.40 C=CC(=O)NC1=CN=CC=C1 Z440633590 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.40 C=CC(=O)NC1=NC=CC=C1 Z440633578 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.40 CC(C#N)OC1=CC=CC=C1 Z54191740 [0,1,0,0,0,0|1,0,1]=3 298 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [0,1,0,0,0,0|1,0,1]=3 302 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [0,1,0,0,0,0|1,1,1]=4 303 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [0,1,0,0,0,0|1,0,2]=4 304 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [0,1,0,0,0,0|1,0,2]=4 305 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [0,1,0,0,0,0|1,0,2]=4 306 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [0,1,0,0,0,0|1,0,2]=4 307 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [0,1,0,0,0,0|2,0,1]=4 312 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Br Z2312942099 [0,1,0,0,0,0|2,0,1]=4 314 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Cl Z104475950 [0,1,0,0,0,0|2,0,1]=4 315 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [0,1,0,0,0,0|1,0,2]=4 316 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [0,1,0,0,0,0|0,1,1]=3 317 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [0,1,0,0,0,0|2,0,1]=4 318 B11R1.91 CC(=O)NNC1=CC=CC=C1 Z27767717 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [0,1,0,0,0,0|2,0,1]=4 320 B11R1.91 CC(C)CNC1=CC=CC=C1 Z2092369729 [0,1,0,0,0,0|1,0,2]=4 321 B11R1.91 CC(C)COC1=CN=CC=C1 Z1606818727 [0,1,0,0,0,0|1,0,2]=4 322 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [0,1,0,0,0,0|1,0,2]=4 323 B11R1.91 CC(N)COC1=CC=CC=C1 Z600397650 [0,1,0,0,0,0|0,0,2]=3 324 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [0,1,0,0,0,0|1,0,2]=4 325 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [0,1,0,0,0,0|2,0,1]=4 326 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [0,1,0,0,0,0|1,0,2]=4 327 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [0,1,0,0,0,0|1,0,0]=2 329 B11R1.91 N=C(N)CSC1=CC=CC=C1 Z1532718998 [0,1,0,0,0,0|1,1,0]=3 330 B11R1.91 N=C(N)SCC1=CC=CC=C1 Z89242849 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [0,1,0,0,0,0|1,0,0]=2 335 B11R1.91 NC(=O)COC1=CN=CC=C1 Z336080090 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [0,1,0,0,0,0|1,1,0]=3 337 B11R1.91 NC(=O)CSC1=CC=NC=C1 Z33546963 [0,1,0,0,0,0|2,1,0]=4 338 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [0,1,0,0,0,0|2,0,0]=3 341 B11R1.91 NC(=S)COC1=CC=CC=C1 Z108595128 [0,1,0,0,0,0|1,0,0]=2 342 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.91 NC(=S)NNC1=CC=CC=C1 Z104483868 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [0,1,0,0,0,0|1,0,0]=2 355 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [0,1,0,0,0,0|1,1,0]=3 357 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [0,1,0,0,0,0|2,1,0]=4 358 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [0,1,0,0,0,0|2,1,0]=4 359 B11R1.91 O=C([O-])COC1=NC=CC=C1 Z2989350877 [0,1,0,0,0,0|2,0,0]=3 360 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.91 O=[N+]([O-])CSC1=CC=CC=C1 Z1255375331 [0,1,0,0,0,0|2,1,0]=4 362 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [0,1,0,0,0,0|3,0,0]=4 363 B11R2.1 BrC1=NNC2=C1C=CC=C2 Z56791616 [0,0,0,1,0,0|3,0,0]=4 364 B11R2.1 CC1=C2C=CC=CC2=NN1 Z1258992514 [0,0,0,1,0,0|2,0,1]=4 365 B11R2.1 CC1=CNC2=C1C=CC=C2 Z415653134 [0,0,0,1,0,0|1,0,2]=4 366 B11R2.1 CC1=COC2=C1C=CC=C2 Z1203161674 [0,0,0,1,0,0|0,0,2]=3 367 B11R2.1 CC1=NOC2=C1C=CC=C2 Z104341886 [0,0,0,1,0,0|1,0,1]=3 368 B11R2.1 CC1=NOC2=C1C=CN=C2 Z1255459053 [0,0,0,1,0,0|2,0,1]=4 369 B11R2.1 CC1CNC2=C1C=CC=C2 Z415739264 [0,0,0,1,0,0|1,0,2]=4 370 B11R2.1 ClC1=C2C=CC=CC2=NN1 Z1695729006 [0,0,0,1,0,0|3,0,0]=4 371 B11R2.1 ClC1=C2C=CC=CC2=NS1 Z992921742 [0,0,0,1,0,0|3,0,0]=4 372 B11R2.1 ClC1=CNC2=C1C=CC=C2 Z1020823312 [0,0,0,1,0,0|2,0,1]=4 373 B11R2.1 ClC1=NSC2=C1C=CC=C2 Z57033963 [0,0,0,1,0,0|2,1,0]=4 374 B11R2.1 NC1=C2C=CC=CC2=NS1 Z1198161072 [0,0,0,1,0,0|3,0,0]=4 375 B11R2.1 NC1=NNC2=C1C=CC=C2 Z56820416 [0,0,0,1,0,0|3,0,0]=4 376 B11R2.1 NC1=NOC2=C1C=CC=C2 Z218760918 [0,0,0,1,0,0|2,0,0]=3 377 B11R2.1 NC1=NOC2=C1C=CN=C2 Z1203581328 [0,0,0,1,0,0|3,0,0]=4 378 B11R2.1 NC1=NOC2=C1N=CC=C2 Z1203581327 [0,0,0,1,0,0|3,0,0]=4 379 B11R2.1 NC1=NSC2=C1C=CC=C2 Z56774438 [0,0,0,1,0,0|2,1,0]=4 380 B11R2.1 NC1CCC2=C1C=CC=C2 Z168884748 [0,0,0,1,0,0|2,0,1]=4 381 B11R2.1 NC1CSC2=C1C=CC=C2 Z431544668 [0,0,0,1,0,0|1,1,1]=4 382 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 Z1741972748 [0,0,0,1,0,0|2,0,1]=4 383 B11R2.1 O=C1CCC2=C1C=CC=C2 Z104495974 [0,0,0,1,0,0|2,0,0]=3 384 B11R2.1 O=C1CCC2=C1C=NC=C2 Z1198181243 [0,0,0,1,0,0|3,0,0]=4 385 B11R2.1 O=C1COC2=C1C=CC=C2 Z57101103 [0,0,0,1,0,0|1,0,0]=2 386 B11R2.1 O=C1COC2=C1C=CN=C2 Z1255373514 [0,0,0,1,0,0|2,0,0]=3 387 B11R2.1 O=C1CSC2=C1C=CC=C2 Z1117911699 [0,0,0,1,0,0|1,1,0]=3 388 B11R2.1 O=C1NCC2=C1C=CC=C2 Z362519344 [0,0,0,1,0,0|3,0,0]=4 389 B11R2.1 O=C1NNC2=C1C=CC=C2 Z586248764 [0,0,0,1,0,0|3,0,0]=4 390 B11R2.1 O=C1NOC2=C1C=CC=C2 Z1592042113 [0,0,0,1,0,0|2,0,0]=3 391 B11R2.1 O=C1NSC2=C1C=CC=C2 Z56983154 [0,0,0,1,0,0|2,1,0]=4 392 B11R2.1 O=C1OCC2=C1C=CC=C2 Z211309000 [0,0,0,1,0,0|3,0,0]=4 393 B11R2.1 O=C1SNC2=C1C=CC=C2 Z992282928 [0,0,0,1,0,0|3,0,0]=4 394 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [0,0,0,1,0,0|1,0,1]=3 395 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [0,0,0,1,0,0|1,1,1]=4 396 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [0,0,0,1,0,0|2,0,1]=4 397 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [0,0,0,1,0,0|2,0,1]=4 398 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [0,0,0,1,0,0|2,0,1]=4 399 B11R2.20 C1=CC2=C(C=C1)C=CC=C2 Z104506008 [0,0,0,1,0,0|1,0,1]=3 400 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 Z104472854 [0,0,0,1,0,0|2,0,0]=3 401 B11R2.20 C1=CC2=C(C=C1)CCC=C2 Z237493310 [0,0,0,1,0,0|1,0,0]=2 402 B11R2.20 C1=CC2=C(C=C1)CNCC2 Z57834231 [0,0,0,1,0,0|2,0,1]=4 403 B11R2.20 C1=CC2=C(C=C1)COCC2 Z756090080 [0,0,0,1,0,0|2,0,1]=4 404 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 Z104472852 [0,0,0,1,0,0|1,0,1]=3 405 B11R2.20 C1=CC2=C(C=C1)N=CC=N2 Z104495568 [0,0,0,1,0,0|2,0,1]=4 406 B11R2.20 C1=CC2=C(C=C1)OCCC2 Z728136016 [0,0,0,1,0,0|0,0,2]=3 407 B11R2.20 C1=CC2=C(C=C1)OCCN2 Z228584850 [0,0,0,1,0,0|1,0,1]=3 408 B11R2.20 C1=CC2=C(C=C1)SCCN2 Z56943460 [0,0,0,1,0,0|1,1,1]=4 409 B11R2.20 C1=CC2=C(C=CC=N2)N=C1 Z212045452 [0,0,0,1,0,0|2,0,1]=4 410 B11R2.20 C1=CC2=C(C=CN=C2)N=C1 Z1201618481 [0,0,0,1,0,0|2,0,1]=4 411 B11R2.20 C1=CC2=C(C=N1)NCCO2 Z2217033032 [0,0,0,1,0,0|2,0,1]=4 412 B11R2.20 C1=CC2=C(C=NC=C2)N=C1 Z1198330965 [0,0,0,1,0,0|2,0,1]=4 413 B11R2.20 C1=CC2=C(N=C1)N=CC=C2 Z1201618482 [0,0,0,1,0,0|2,0,1]=4 414 B11R2.20 C1=CC2=C(N=C1)OCCN2 Z1201624799 [0,0,0,1,0,0|2,0,1]=4 415 B11R2.20 C1=CC2=CN=CC=C2C=N1 Z1255356832 [0,0,0,1,0,0|3,0,0]=4 416 B11R2.238 C1=CC=C(C=C1)CC2CO2 Z1020680006 [0,0,0,1,0,0|2,0,1]=4 417 B11R2.238 C1=CC=C(C=C1)C[C@@H]2CO2 Z1617991494 [0,0,0,1,0,0|2,0,1]=4 418 B11R2.238 C1=CC=C(C=C1)C[C@H]2CO2 Z2216712384 [0,0,0,1,0,0|2,0,1]=4 419 B11R2.238 C1=CC=C(C=C1)NC2CC2 Z1203731288 [0,0,0,1,0,0|1,0,2]=4 420 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [0,0,0,1,0,0|2,0,1]=4 421 B11R2.988 NCC1CC2=C1C=CC=C2 Z234895091 [0,0,0,1,0,0|2,0,1]=4 422 B9R1.12 O=CCCC1=CSC=C1 Z993017658 [0,0,0,0,1,0|3,0,0]=4 423 B8R1.2 C=CC1=CC=CC=C1 Z104474664 [2,0,0,0,0,0|0,0,0]=2 424 B8R1.2 C=CC1=NC=CC=C1 Z104495554 [2,0,0,0,0,0|1,0,0]=3 425 B8R1.2 CCC1=CC=CC=C1 Z104473632 [2,0,0,0,0,0|0,0,1]=3 426 B8R1.2 CCC1=CC=NC=C1 Z1251171246 [2,0,0,0,0,0|1,0,1]=4 427 B8R1.2 CCC1=CN=CC=C1 Z104476778 [2,0,0,0,0,0|1,0,1]=4 428 B8R1.2 CCC1=NC=CC=C1 Z113558650 [2,0,0,0,0,0|1,0,1]=4 429 B8R1.2 CNC1=CC=CC=C1 Z104472478 [2,0,0,0,0,0|1,0,0]=3 430 B8R1.2 CNC1=CN=CC=C1 Z1082871080 [2,0,0,0,0,0|2,0,0]=4 431 B8R1.2 COC1=CC=CC=C1 Z53833865 [2,0,0,0,0,0|0,0,0]=2 432 B8R1.2 CSC1=CC=NC=C1 Z1376456468 [2,0,0,0,0,0|1,1,0]=4 433 B8R1.2 Cl[Se]C1=CC=CC=C1 Z1255485131 [2,0,0,0,0,0|1,1,0]=4 434 B8R1.2 N#CC1=CC=CC=C1 Z104473628 [2,0,0,0,0,0|1,0,1]=4 435 B8R1.2 NCC1=CC=CC=C1 Z54748260 [2,0,0,0,0,0|1,0,0]=3 436 B8R1.2 NCC1=CC=NC=C1 Z104474354 [2,0,0,0,0,0|2,0,0]=4 437 B8R1.2 NCC1=CN=CC=C1 Z104474366 [2,0,0,0,0,0|2,0,0]=4 438 B8R1.2 NCC1=NC=CC=C1 Z104474352 [2,0,0,0,0,0|2,0,0]=4 439 B8R1.2 NNC1=CC=CC=C1 Z104472442 [2,0,0,0,0,0|2,0,0]=4 440 B8R1.2 O=CC1=CC=NC=C1 Z57161993 [2,0,0,0,0,0|2,0,0]=4 441 B8R1.2 O=CC1=CN=CC=C1 Z104472124 [2,0,0,0,0,0|2,0,0]=4 442 B8R1.2 O=CC1=NC=CC=C1 Z104472152 [2,0,0,0,0,0|2,0,0]=4 443 B8R1.2 OCC1=CC=CC=C1 Z104476418 [2,0,0,0,0,0|1,0,0]=3 444 B8R1.2 OCC1=CC=NC=C1 Z335244866 [2,0,0,0,0,0|2,0,0]=4 445 B8R1.2 OCC1=CN=CC=C1 Z104495622 [2,0,0,0,0,0|2,0,0]=4 446 B8R1.2 OCC1=NC=CC=C1 Z57921252 [2,0,0,0,0,0|2,0,0]=4 447 B10R1.1 CC1=CC=C(C=C1)CC#N Z285131444 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [1,1,0,0,0,0|0,0,2]=4 452 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [1,1,0,0,0,0|0,0,2]=4 453 B10R1.1 CCNC1=CC=C(C=C1)Br Z286365048 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.1 CCNC1=CC=C(C=C1)Cl Z2902298062 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.1 CCNC1=CC=C(C=C1)F Z89270849 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.1 CCNC1=CC=C(C=C1)N Z359511474 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [1,1,0,0,0,0|0,0,1]=3 459 B10R1.1 CCOC1=CC=C(C=C1)N Z57127438 [1,1,0,0,0,0|0,0,1]=3 460 B10R1.1 CCOC1=CC=C(C=C1)S Z166646982 [1,1,0,0,0,0|0,0,1]=3 461 B10R1.1 CCOC1=NC=C(C=C1)N Z240084310 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.1 CNCC1=CC=C(C=C1)Br Z56175269 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.1 CNCC1=CC=C(C=C1)Cl Z56956070 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.1 CNCC1=CC=C(C=C1)F Z56963340 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.1 CNCC1=CC=C(C=C1)I Z4242747560 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.1 CSCC1=CC=C(C=C1)Br Z19854469 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.1 N#CCC1=CC=C(C=C1)F Z89283961 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.1 N#CCC1=CC=C(C=C1)N Z90122117 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.1 NOCC1=CC=C(C=C1)Cl Z1198164677 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.1 O=CCC1=CC=C(C=C1)Br Z1079442512 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.1 O=CCC1=CC=C(C=C1)Cl Z993017718 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.1 O=CCC1=CC=C(C=C1)F Z993017752 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.1 O=CNC1=CC=C(C=C1)O Z87002541 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.4 C=CCC1=C(C=CC=C1)O Z104493210 [1,1,0,0,0,0|0,0,0]=2 488 B10R1.4 CC1=C(C=CC=C1)CC#N Z57039593 [1,1,0,0,0,0|1,0,1]=4 489 B10R1.4 CC1=C(C=CC=C1)CC=O Z993017618 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.4 CC1=C(C=CC=C1)CNN Z336481586 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.4 CCCC1=C(C=CC=C1)Br Z1479686725 [1,1,0,0,0,0|0,0,2]=4 492 B10R1.4 CCCC1=C(C=CC=C1)I Z821158622 [1,1,0,0,0,0|0,0,2]=4 493 B10R1.4 CCCC1=C(C=CC=C1)N Z336087926 [1,1,0,0,0,0|0,0,2]=4 494 B10R1.4 CCNC1=C(C=CC=C1)C Z104477886 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.4 CCNC1=C(C=CC=C1)F Z286518592 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.4 CCNC1=C(C=CC=C1)I Z4405452872 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.4 CCNC1=C(C=CC=C1)N Z359511482 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.4 CCNC1=C(C=CC=C1)O Z5185414820 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.4 CCOC1=C(C=CC=C1)Br Z153728256 [1,1,0,0,0,0|0,0,1]=3 500 B10R1.4 CCOC1=C(C=CC=C1)I Z406416174 [1,1,0,0,0,0|0,0,1]=3 501 B10R1.4 CCOC1=C(C=CC=C1)N Z104478442 [1,1,0,0,0,0|0,0,1]=3 502 B10R1.4 CCOC1=C(C=CC=C1)O Z104480244 [1,1,0,0,0,0|0,0,1]=3 503 B10R1.4 CCOC1=C(C=CC=N1)N Z240084312 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.4 CCOC1=C(N=CC=C1)N Z362783900 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.4 CCSC1=C(C=CC=C1)Br Z149386616 [1,1,0,0,0,0|0,1,1]=4 506 B10R1.4 CCSC1=C(C=CC=C1)N Z316174690 [1,1,0,0,0,0|0,1,1]=4 507 B10R1.4 CCSC1=C(C=CC=C1)O Z905204460 [1,1,0,0,0,0|0,1,1]=4 508 B10R1.4 CNCC1=C(C=CC=C1)C Z56948272 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.4 CNCC1=C(C=CC=C1)Cl Z56955956 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.4 CNCC1=C(C=CC=C1)F Z56953087 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.4 CNCC1=C(C=CC=C1)N Z764242576 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.4 CNCC1=C(C=CC=C1)O Z398513608 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.4 COCC1=C(C=CC=C1)I Z821093342 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.4 COCC1=C(C=CC=C1)O Z821093528 [1,1,0,0,0,0|1,0,1]=4 515 B10R1.4 CSCC1=C(C=CC=C1)N Z732207148 [1,1,0,0,0,0|1,0,1]=4 516 B10R1.4 N#CCC1=C(C=CC=C1)Cl Z56904744 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.4 N#CCC1=C(C=CC=C1)F Z104477228 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.4 NC1=C(C=CC=C1)CCO Z3417485770 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.4 NCCC1=C(C=CC=C1)Br Z295382782 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.4 NCCC1=C(C=CC=C1)Cl Z285143744 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.4 NCCC1=C(C=CC=C1)F Z57051087 [1,1,0,0,0,0|1,0,1]=4 522 B10R1.4 NCCC1=C(C=CC=C1)O Z594038184 [1,1,0,0,0,0|1,0,1]=4 523 B10R1.4 O=CCC1=C(C=CC=C1)Br Z1183459130 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.4 O=CCC1=C(C=CC=C1)F Z993017796 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.4 OCCC1=C(C=CC=C1)Br Z1183459188 [1,1,0,0,0,0|1,0,1]=4 526 B10R1.4 OCCC1=C(C=CC=C1)F Z397587382 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.10 C=COC1=CC=CC(=C1)C Z1269547004 [1,1,0,0,0,0|0,0,0]=2 528 B10R1.10 CC1=CC(=CC=C1)CC#N Z285131450 [1,1,0,0,0,0|1,0,1]=4 529 B10R1.10 CC1=CC(=CC=C1)CCN Z241056516 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.10 CCCC1=CC(=CC=C1)Br Z1541586975 [1,1,0,0,0,0|0,0,2]=4 531 B10R1.10 CCNC1=CC(=CC=C1)Br Z1217910559 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.10 CCNC1=CC(=CC=C1)C Z56785946 [1,1,0,0,0,0|1,0,1]=4 533 B10R1.10 CCNC1=CC(=CC=C1)Cl Z286371690 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.10 CCOC1=CC(=CC=C1)Br Z53833934 [1,1,0,0,0,0|0,0,1]=3 535 B10R1.10 CCOC1=CC(=CC=C1)I Z54181578 [1,1,0,0,0,0|0,0,1]=3 536 B10R1.10 CCOC1=CC(=NC=C1)N Z1198157310 [1,1,0,0,0,0|1,0,1]=4 537 B10R1.10 CCOC1=NC(=CC=C1)C Z1198168604 [1,1,0,0,0,0|1,0,1]=4 538 B10R1.10 CCOC1=NC(=CC=C1)N Z1139188017 [1,1,0,0,0,0|1,0,1]=4 539 B10R1.10 CCSC1=CC(=CC=C1)Br Z1090207966 [1,1,0,0,0,0|0,1,1]=4 540 B10R1.10 CCSC1=CC(=CC=C1)N Z600393424 [1,1,0,0,0,0|0,1,1]=4 541 B10R1.10 CNCC1=CC(=CC=C1)C Z102766992 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.10 CNCC1=CC(=CC=C1)Cl Z56963343 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.10 CNCC1=CC(=CC=C1)F Z56946085 [1,1,0,0,0,0|1,0,1]=4 544 B10R1.10 CNCC1=CC(=CC=C1)I Z3302798080 [1,1,0,0,0,0|1,0,1]=4 545 B10R1.10 CNCC1=CC(=CC=C1)O Z102766970 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.10 COCC1=CC(=CC=C1)N Z285163816 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.10 COCC1=CC(=CC=C1)O Z821093526 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.10 CSCC1=CC(=CC=C1)Br Z17129082 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.10 CSCC1=CC(=CC=C1)N Z732207152 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.10 N#CCC1=CC=CC(=C1)Cl Z57039594 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.10 N#CCC1=CC=CC(=C1)F Z104477994 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.10 N#CCC1=CC=CC(=C1)N Z90120426 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.10 N#CCC1=CC=CC(=C1)O Z1198161712 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.10 NC1=CC(=CC=C1)CCO Z1198160776 [1,1,0,0,0,0|1,0,1]=4 555 B10R1.10 NC1=CC(=CC=C1)NC=O Z1203578959 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.10 NCCC1=CC(=CC=C1)Br Z285143760 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.10 NCCC1=CC(=CC=C1)Cl Z57051063 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.10 NCCC1=CC(=CC=C1)F Z96092963 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.10 NCCC1=CC(=CC=C1)I Z4874662549 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.10 NCCC1=CC(=CC=C1)O Z935140764 [1,1,0,0,0,0|1,0,1]=4 561 B10R1.10 NOCC1=CC(=CC=C1)Cl Z1198339567 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.10 O=CCC1=CC=CC(=C1)Br Z1079442816 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.10 O=CCC1=CC=CC(=C1)Cl Z993017836 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.10 O=CNC1=CC=CC(=C1)O Z56886391 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.10 OCCC1=CC(=CC=C1)Cl Z992289382 [1,1,0,0,0,0|1,0,1]=4 566 B10R1.10 OCCC1=CC(=CC=C1)F Z397587224 [1,1,0,0,0,0|1,0,1]=4 567 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [1,1,0,0,0,0|0,0,0]=2 569 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [1,1,0,0,0,0|1,0,1]=4 572 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [1,1,0,0,0,0|0,0,2]=4 573 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [1,1,0,0,0,0|0,0,2]=4 574 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [1,1,0,0,0,0|1,0,1]=4 576 B10R1.15 N#CC(Br)C1=CC=CC=C1 Z1198157485 [1,1,0,0,0,0|1,0,1]=4 577 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [1,1,0,0,0,0|1,0,1]=4 578 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [1,1,0,0,0,0|1,0,1]=4 581 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [1,1,0,0,0,0|1,0,1]=4 582 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [1,1,0,0,0,0|1,0,1]=4 583 B10R1.15 O=C(CCl)C1=CC=CC=C1 Z57834468 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.15 O=C(CO)C1=CC=CC=C1 Z906206792 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.15 O=CC(=O)C1=CC=CC=C1 Z1954804411 [1,1,0,0,0,0|1,0,1]=4 586 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [1,1,0,0,0,0|1,0,1]=4 587 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [1,1,0,0,0,0|1,0,1]=4 588 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [1,1,0,0,0,0|0,0,2]=4 589 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [1,1,0,0,0,0|1,0,1]=4 590 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [1,1,0,0,0,0|0,0,1]=3 591 B10R1.18 CC(C)OC1=CC=NC=C1 Z1140308716 [1,1,0,0,0,0|1,0,1]=4 592 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [1,1,0,0,0,0|0,0,2]=4 593 B10R1.18 FC(F)OC1=CN=CC=C1 Z808605476 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.18 N=C(N)CC1=CC=NC=C1 Z2441004470 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.18 N=C(N)CC1=CN=CC=C1 Z2350941593 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [1,1,0,0,0,0|1,0,0]=3 598 B10R1.18 NC(=O)CC1=CC=NC=C1 Z234895093 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.18 NC(=S)NC1=CC=CC=C1 Z57474172 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.18 O=C(O)CC1=CC=NC=C1 Z271099418 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.21 C=CCNCC1=CC=CS1 Z85934854 [0,1,0,0,1,0|2,0,0]=4 608 B10R1.66 O=C(O)COC1=CSC=C1 Z1262541445 [0,1,0,0,1,0|2,0,0]=4 609 B12R1.1 CC1=CC=C(C=C1)OCCC#N Z54337098 [0,2,0,0,0,0|0,0,2]=4 610 B12R1.1 CC1=CC=C(C=C1)OCCCN Z285166764 [0,2,0,0,0,0|0,0,2]=4 611 B12R1.1 CCCCOC1=CC=C(C=C1)O Z381414690 [0,2,0,0,0,0|0,0,2]=4 612 B12R1.1 CNCCOC1=CC=C(C=C1)Br Z55993065 [0,2,0,0,0,0|0,0,2]=4 613 B12R1.1 CNCCOC1=CC=C(C=C1)C Z138105388 [0,2,0,0,0,0|0,0,2]=4 614 B12R1.1 CNCCOC1=CC=C(C=C1)Cl Z56963344 [0,2,0,0,0,0|0,0,2]=4 615 B12R1.1 CNCCOC1=CC=C(C=C1)F Z138105420 [0,2,0,0,0,0|0,0,2]=4 616 B12R1.1 CNCCOC1=CC=C(C=C1)O Z1209979801 [0,2,0,0,0,0|0,0,2]=4 617 B12R1.1 COCCOC1=CC=C(C=C1)Br Z167838728 [0,2,0,0,0,0|0,0,2]=4 618 B12R1.1 COCCOC1=CC=C(C=C1)F Z285938284 [0,2,0,0,0,0|0,0,2]=4 619 B12R1.1 COCCOC1=CC=C(C=C1)O Z381414750 [0,2,0,0,0,0|0,0,2]=4 620 B12R1.1 COCCOC1=CC=C(C=C1)S Z1689885585 [0,2,0,0,0,0|0,0,2]=4 621 B12R1.1 CSCCOC1=CC=C(C=C1)I Z54518503 [0,2,0,0,0,0|0,0,2]=4 622 B12R1.1 ClC1=CC=C(C=C1)OCCCBr Z90122426 [0,2,0,0,0,0|0,0,2]=4 623 B12R1.1 FC1=CC=C(C=C1)OCCCBr Z90122147 [0,2,0,0,0,0|0,0,2]=4 624 B12R1.1 FC1=CC=C(C=C1)OCCCCl Z56347250 [0,2,0,0,0,0|0,0,2]=4 625 B12R1.1 N#CCCOC1=CC=C(C=C1)Br Z54336945 [0,2,0,0,0,0|0,0,2]=4 626 B12R1.1 N#CCCOC1=CC=C(C=C1)F Z54337110 [0,2,0,0,0,0|0,0,2]=4 627 B12R1.1 NC1=CC=C(C=C1)COCCO Z332379572 [0,2,0,0,0,0|1,0,1]=4 628 B12R1.1 NC1=CC=C(C=C1)OCCCO Z382707186 [0,2,0,0,0,0|0,0,2]=4 629 B12R1.1 NCCCOC1=CC=C(C=C1)F Z271006096 [0,2,0,0,0,0|0,0,2]=4 630 B12R1.1 NCCOCC1=CC=C(C=C1)Cl Z1511495255 [0,2,0,0,0,0|1,0,1]=4 631 B12R1.1 NNCCOC1=CC=C(C=C1)Cl Z94597880 [0,2,0,0,0,0|1,0,1]=4 632 B12R1.1 OC1=CC=C(C=C1)SC/C=C/Cl Z733876456 [0,2,0,0,0,0|0,1,0]=3 633 B12R1.1 OCCCOC1=CC=C(C=C1)Br Z425795726 [0,2,0,0,0,0|0,0,2]=4 634 B12R1.1 OCCCOC1=CC=C(C=C1)F Z228585902 [0,2,0,0,0,0|0,0,2]=4 635 B12R1.16 C=CCC(=O)C1=CC=C(C=C1)F Z808661950 [0,2,0,0,0,0|1,0,0]=3 636 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [0,2,0,0,0,0|1,0,1]=4 637 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [0,2,0,0,0,0|1,0,1]=4 638 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [0,2,0,0,0,0|1,0,1]=4 639 B12R1.21 CC(C)COC1=CC=C(C=C1)O Z381414742 [0,2,0,0,0,0|0,0,2]=4 640 B12R1.21 CC(N)COC1=CC=C(C=C1)F Z271017038 [0,2,0,0,0,0|0,0,2]=4 641 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.21 CC1=CC=C(C=C1)OCC(=O)N Z19732046 [0,2,0,0,0,0|1,0,0]=3 644 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [0,2,0,0,0,0|1,0,0]=3 645 B12R1.21 CC1=CC=C(C=C1)OCC(=S)N Z295396970 [0,2,0,0,0,0|1,0,0]=3 646 B12R1.21 CC1=CC=C(C=C1)OCC(C)N Z285166960 [0,2,0,0,0,0|0,0,2]=4 647 B12R1.21 CC1=CC=C(C=C1)SCC(=O)N Z18770000 [0,2,0,0,0,0|1,1,0]=4 648 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [0,2,0,0,0,0|1,1,0]=4 649 B12R1.21 NC(=O)CCC1=CC=C(C=C1)F Z87614992 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.21 NC(=O)CCC1=CC=C(C=C1)N Z414316852 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Br Z104586672 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Cl Z104647358 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.21 NC(=O)CNC1=CC=C(C=C1)I Z104728120 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br Z19725712 [0,2,0,0,0,0|1,0,0]=3 655 B12R1.21 NC(=O)COC1=CC=C(C=C1)F Z19734788 [0,2,0,0,0,0|1,0,0]=3 656 B12R1.21 NC(=O)COC1=CC=C(C=C1)I Z25086979 [0,2,0,0,0,0|1,0,0]=3 657 B12R1.21 NC(=O)COC1=CC=C(C=C1)N Z239127428 [0,2,0,0,0,0|1,0,0]=3 658 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [0,2,0,0,0,0|1,0,0]=3 659 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Br Z18744574 [0,2,0,0,0,0|1,1,0]=4 660 B12R1.21 NC(=O)CSC1=CC=C(C=C1)F Z16034821 [0,2,0,0,0,0|1,1,0]=4 661 B12R1.21 NC(=S)COC1=CC=C(C=C1)Cl Z295395122 [0,2,0,0,0,0|1,0,0]=3 662 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.21 NC1=CC=C(C=C1)OCC(=O)O Z3241275736 [0,2,0,0,0,0|1,0,0]=3 664 B12R1.21 NC1=CC=C(C=C1)OCC(F)F Z608351552 [0,2,0,0,0,0|1,0,1]=4 665 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [0,2,0,0,0,0|2,0,0]=4 666 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Br Z274534708 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [0,2,0,0,0,0|2,0,0]=4 672 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br Z56812736 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl Z57181989 [0,2,0,0,0,0|1,0,0]=3 674 B12R1.21 O=C(O)COC1=CC=C(C=C1)F Z56978034 [0,2,0,0,0,0|1,0,0]=3 675 B12R1.21 O=C(O)COC1=CC=C(C=C1)I Z56943814 [0,2,0,0,0,0|1,0,0]=3 676 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.21 O=C(O)COC1=NC=C(C=C1)Br Z1269227587 [0,2,0,0,0,0|2,0,0]=4 678 B12R1.21 O=C(O)COC1=NC=C(C=C1)F Z1723875084 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Br Z55903477 [0,2,0,0,0,0|1,1,0]=4 680 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Cl Z55179956 [0,2,0,0,0,0|1,1,0]=4 681 B12R1.21 O=C(O)CSC1=CC=C(C=C1)F Z55903650 [0,2,0,0,0,0|1,1,0]=4 682 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [0,2,0,0,0,0|1,1,0]=4 683 B12R1.21 O=C([O-])COC1=NC=C(C=C1)Cl Z3445335054 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)Br Z381016676 [0,2,0,0,0,0|1,0,1]=4 685 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)C Z440633654 [0,2,0,0,0,0|1,0,1]=4 686 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)Cl Z440633664 [0,2,0,0,0,0|1,0,1]=4 687 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)F Z424770410 [0,2,0,0,0,0|1,0,1]=4 688 B12R1.49 CC(CN)OC1=CC=C(C=C1)Br Z844632490 [0,2,0,0,0,0|1,0,1]=4 689 B12R1.49 CC(CN)OC1=CC=C(C=C1)Cl Z844632498 [0,2,0,0,0,0|1,0,1]=4 690 B12R1.49 CC(CN)OC1=CC=C(C=C1)F Z274779140 [0,2,0,0,0,0|1,0,1]=4 691 B12R1.49 CC1=CC=C(C=C1)CC(Cl)C=O Z982126370 [0,2,0,0,0,0|2,0,0]=4 692 B12R1.49 CC1=CC=C(C=C1)OC(C)CN Z844632044 [0,2,0,0,0,0|1,0,1]=4 693 B12R1.49 CCC(C)OC1=CC=C(C=C1)Br Z336342658 [0,2,0,0,0,0|0,0,2]=4 694 B12R1.49 CCC(C)OC1=CC=C(C=C1)N Z274541874 [0,2,0,0,0,0|0,0,2]=4 695 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [0,2,0,0,0,0|0,0,2]=4 696 B12R1.49 C[C@@H](CN)OC1=CC=C(C=C1)Cl Z1860991587 [0,2,0,0,0,0|1,0,1]=4 697 B12R1.69 C#CCOC1=C(C=C(C=C1)F)N Z1259339886 [0,2,0,0,0,0|0,0,2]=4 698 B12R1.69 C=CCOC1=C(C=C(C=C1)Br)N Z1263545294 [0,2,0,0,0,0|0,0,0]=2 699 B12R1.69 CCCOC1=C(C=C(C=C1)F)N Z406677838 [0,2,0,0,0,0|0,0,2]=4 700 B12R1.69 CCCOC1=C(C=C(C=C1)N)C Z2689925106 [0,2,0,0,0,0|0,0,2]=4 701 B12R1.69 CCCOC1=C(C=C(C=C1)N)Cl Z239873352 [0,2,0,0,0,0|0,0,2]=4 702 B12R1.69 CCCOC1=C(C=C(C=C1)N)F Z406677828 [0,2,0,0,0,0|0,0,2]=4 703 B12R1.69 ClC1=CC(=C(C=C1)OCCBr)Br Z90122429 [0,2,0,0,0,0|1,0,1]=4 704 B12R1.69 ClC1=CC(=C(C=C1)OCCBr)Cl Z56948382 [0,2,0,0,0,0|1,0,1]=4 705 B12R1.69 N#CCOC1=C(C=C(C=C1)Cl)Cl Z53791721 [0,2,0,0,0,0|1,0,1]=4 706 B12R1.69 NCCOC1=C(C=C(C=C1)Cl)Cl Z5435727950 [0,2,0,0,0,0|1,0,1]=4 707 B12R1.69 NCCOC1=C(C=C(C=C1)F)F Z1263820293 [0,2,0,0,0,0|1,0,1]=4 708 B12R1.69 O=CCCC1=C(C=C(C=C1)Cl)Cl Z993017674 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.69 O=CCCC1=C(C=C(C=C1)F)F Z993017790 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.69 OCCOC1=C(C=C(C=C1)Br)Br Z149164564 [0,2,0,0,0,0|1,0,1]=4 711 B12R1.69 OCCOC1=C(C=C(C=C1)Br)Cl Z71184687 [0,2,0,0,0,0|1,0,1]=4 712 B12R1.69 OCCOC1=C(C=C(C=C1)Cl)Br Z74088094 [0,2,0,0,0,0|1,0,1]=4 713 B12R1.71 C#CCOC1=CC=C(C=C1)C=O Z54475573 [0,2,0,0,0,0|0,0,2]=4 714 B12R1.71 C#CCOC1=CC=C(C=C1)CN Z2690412226 [0,2,0,0,0,0|0,0,2]=4 715 B12R1.71 C#CCOC1=CC=C(C=C1)CO Z54564256 [0,2,0,0,0,0|0,0,2]=4 716 B12R1.71 C#CCOC1=CC=C(C=C1)NC Z730521686 [0,2,0,0,0,0|0,0,2]=4 717 B12R1.71 C=CCOC1=CC=C(C=C1)C=O Z54337085 [0,2,0,0,0,0|0,0,0]=2 718 B12R1.71 C=CCOC1=CC=C(C=C1)CO Z54636167 [0,2,0,0,0,0|0,0,0]=2 719 B12R1.71 CCC1=CC=C(C=C1)CCC=O Z993017820 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.71 CCCOC1=CC=C(C=C1)C#N Z53834534 [0,2,0,0,0,0|0,0,2]=4 721 B12R1.71 CCCOC1=CC=C(C=C1)C=O Z53833128 [0,2,0,0,0,0|0,0,2]=4 722 B12R1.71 CCCOC1=CC=C(C=C1)CN Z57102483 [0,2,0,0,0,0|0,0,2]=4 723 B12R1.71 CCCOC1=CC=C(C=C1)CO Z54603099 [0,2,0,0,0,0|0,0,2]=4 724 B12R1.71 COC1=CC=C(C=C1)CCC=O Z1079442590 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.71 COC1=CC=C(C=C1)OCC#N Z53792243 [0,2,0,0,0,0|1,0,1]=4 726 B12R1.71 COC1=CC=C(C=C1)OCCBr Z56886539 [0,2,0,0,0,0|1,0,1]=4 727 B12R1.71 COC1=CC=C(C=C1)OCCN Z54845983 [0,2,0,0,0,0|1,0,1]=4 728 B12R1.71 COC1=CC=C(C=C1)SCC=O Z854102788 [0,2,0,0,0,0|1,1,0]=4 729 B12R1.71 N#CC1=CC=C(C=C1)CCC=O Z1198182710 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.71 N#CC1=CC=C(C=C1)OCCBr Z56960251 [0,2,0,0,0,0|1,0,1]=4 731 B12R1.71 N#CC1=CC=C(C=C1)OCCN Z1262398529 [0,2,0,0,0,0|1,0,1]=4 732 B12R1.71 N#CC1=CC=C(C=C1)OCCO Z149165452 [0,2,0,0,0,0|1,0,1]=4 733 B12R1.71 N#CCOC1=CC=C(C=C1)C#N Z53791879 [0,2,0,0,0,0|1,0,1]=4 734 B12R1.71 N#CCOC1=CC=C(C=C1)C=O Z53791012 [0,2,0,0,0,0|1,0,1]=4 735 B12R1.71 N#CCOC1=CC=C(C=C1)CN Z1263529642 [0,2,0,0,0,0|1,0,1]=4 736 B12R1.71 NCC1=CC=C(C=C1)OCCO Z1891774500 [0,2,0,0,0,0|1,0,1]=4 737 B12R1.71 O=CC1=CC=C(C=C1)OCCO Z295452566 [0,2,0,0,0,0|1,0,1]=4 738 B12R1.385 CC1=C(C=CC(=C1)OCCO)N Z335092234 [0,2,0,0,0,0|1,0,1]=4 739 B12R1.385 CCCOC1=CC(=C(C=C1)Br)Cl Z1618009620 [0,2,0,0,0,0|0,0,2]=4 740 B12R1.385 CCCOC1=CC(=C(C=C1)N)C Z239604814 [0,2,0,0,0,0|0,0,2]=4 741 B12R1.385 N#CCOC1=CC(=C(C=C1)Cl)F Z1539413038 [0,2,0,0,0,0|1,0,1]=4 742 B12R1.385 N#CCOC1=CC(=C(C=C1)F)Cl Z54976055 [0,2,0,0,0,0|1,0,1]=4 743 B12R1.385 NCCOC1=CC(=C(C=C1)Cl)F Z2235790693 [0,2,0,0,0,0|1,0,1]=4 744 B12R1.385 NCCOC1=CC(=C(C=C1)F)F Z1263820280 [0,2,0,0,0,0|1,0,1]=4 745 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)Cl Z993017630 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)F Z1198182696 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.385 O=CCCC1=CC(=C(C=C1)F)F Z1198182685 [0,2,0,0,0,0|2,0,0]=4 748 B12R1.3 C=CCC(C=O)C1=CC=CC=C1 Z1416169093 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.30 C=CCCC(=O)C1=CC=CC=C1 Z406376458 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.30 C=CCCC(N)C1=CC=CC=C1 Z1219748388 [0,2,0,0,0,0|1,0,0]=3 751 B12R1.30 C=CCNC(=O)C1=CC=NC=C1 Z32064550 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.30 CCCOC(=O)C1=CC=CC=C1 Z53835171 [0,2,0,0,0,0|0,0,2]=4 753 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 Z56928949 [0,2,0,0,0,0|1,0,1]=4 754 B12R1.30 O=C(OCCO)C1=CC=CC=C1 Z228585788 [0,2,0,0,0,0|1,0,1]=4 755 B12R1.34 C=CC(=O)N(C)C1=CC=CC=C1 Z440633576 [0,2,0,0,0,0|1,0,1]=4 756 B12R1.107 C=C(C)CC(N)C1=CC=CC=C1 Z4497189696 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.107 CN(CC(=O)N)C1=CC=CC=C1 Z54747686 [0,2,0,0,0,0|2,0,0]=4 760 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [0,2,0,0,0,0|2,0,0]=4 761 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [0,2,0,0,0,0|2,0,0]=4 762 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.308 C=CCC(=O)C1=C(C=CC=C1)F Z1082405332 [0,2,0,0,0,0|1,0,0]=3 766 B12R1.25 N#CCOC1=CC=CC(=C1Cl)Cl Z53793117 [0,2,0,0,0,0|1,0,1]=4 767 B12R1.25 NCCOC1=C(C(=CC=C1)Cl)Cl Z763367894 [0,2,0,0,0,0|1,0,1]=4 768 B12R1.121 C#CCOC1=C(C=CC=C1)C#N Z51119181 [0,2,0,0,0,0|0,0,2]=4 769 B12R1.121 C#CCOC1=C(C=CC=C1)C=O Z54475580 [0,2,0,0,0,0|0,0,2]=4 770 B12R1.121 C#CCOC1=C(C=CC=C1)CN Z1266854913 [0,2,0,0,0,0|0,0,2]=4 771 B12R1.121 C#CCOC1=C(C=CC=C1)OC Z54471924 [0,2,0,0,0,0|0,0,2]=4 772 B12R1.121 C=CCCC1=C(C=CC=C1)C=O Z1511744014 [0,2,0,0,0,0|1,0,0]=3 773 B12R1.121 C=CCOC1=C(C=CC=C1)C=O Z54337089 [0,2,0,0,0,0|0,0,0]=2 774 B12R1.121 C=CCOC1=C(C=CC=C1)CN Z446020710 [0,2,0,0,0,0|0,0,0]=2 775 B12R1.121 COC1=C(C=CC=C1)CCC=O Z993017838 [0,2,0,0,0,0|2,0,0]=4 776 B12R1.121 COC1=C(C=CC=C1)OCCBr Z57842348 [0,2,0,0,0,0|1,0,1]=4 777 B12R1.121 COC1=C(C=CC=C1)OCCCl Z381039148 [0,2,0,0,0,0|1,0,1]=4 778 B12R1.121 COC1=C(C=CC=C1)OCCN Z56968779 [0,2,0,0,0,0|1,0,1]=4 779 B12R1.121 N#CCOC1=C(C=CC=C1)C=O Z53790919 [0,2,0,0,0,0|1,0,1]=4 780 B12R1.121 NCC1=C(C=CC=C1)OCCO Z335092218 [0,2,0,0,0,0|1,0,1]=4 781 B12R1.125 C=C(C)CNC1=C(C=CC=C1)Br Z297649770 [0,2,0,0,0,0|1,0,0]=3 782 B12R1.125 CC(=O)CCC1=C(C=CC=C1)F Z406376954 [0,2,0,0,0,0|1,0,1]=4 783 B12R1.125 CC(C)COC1=C(C=CC=C1)N Z239604732 [0,2,0,0,0,0|0,0,2]=4 784 B12R1.125 CC(N)COC1=C(C=CC=C1)F Z271016180 [0,2,0,0,0,0|0,0,2]=4 785 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O Z317037960 [0,2,0,0,0,0|2,0,0]=4 786 B12R1.125 CC1=C(C=CC=C1)NCC(=O)N Z104590676 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.125 CC1=C(C=CC=C1)OCC(=N)N Z823287452 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.125 CC1=C(C=CC=C1)OCC(=O)N Z19733874 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O Z56820406 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.125 CC1=C(C=CC=C1)OCC(C)N Z271016914 [0,2,0,0,0,0|0,0,2]=4 791 B12R1.125 CC1=C(C=CC=C1)SCC(=O)O Z56870728 [0,2,0,0,0,0|1,1,0]=4 792 B12R1.125 FC(F)COC1=C(C=CC=C1)Br Z608352776 [0,2,0,0,0,0|1,0,1]=4 793 B12R1.125 NC(=O)CCC1=C(C=CC=C1)Br Z741559968 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N Z414316848 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.125 NC(=O)CCC1=C(C=CC=C1)O Z371352778 [0,2,0,0,0,0|2,0,0]=4 796 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Br Z137588472 [0,2,0,0,0,0|2,0,0]=4 797 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Cl Z104528166 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.125 NC(=O)CNC1=C(C=CC=C1)I Z133437412 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.125 NC(=O)COC1=C(C=CC=C1)Br Z17829253 [0,2,0,0,0,0|1,0,0]=3 800 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl Z19726626 [0,2,0,0,0,0|1,0,0]=3 801 B12R1.125 NC(=O)COC1=C(C=CC=C1)F Z19724798 [0,2,0,0,0,0|1,0,0]=3 802 B12R1.125 NC(=O)COC1=C(C=CC=C1)I Z406416164 [0,2,0,0,0,0|1,0,0]=3 803 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Br Z149386624 [0,2,0,0,0,0|1,1,0]=4 804 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Cl Z18459622 [0,2,0,0,0,0|1,1,0]=4 805 B12R1.125 NC(=O)CSC1=C(C=CC=C1)N Z57332466 [0,2,0,0,0,0|1,1,0]=4 806 B12R1.125 NC1=C(C=CC=C1)OCC(F)F Z608351554 [0,2,0,0,0,0|1,0,1]=4 807 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br Z406704244 [0,2,0,0,0,0|2,0,0]=4 808 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl Z56943366 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F Z57991059 [0,2,0,0,0,0|2,0,0]=4 810 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [0,2,0,0,0,0|2,0,0]=4 811 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl Z274534698 [0,2,0,0,0,0|2,0,0]=4 812 B12R1.125 O=C(O)COC1=C(C=CC=C1)Br Z111834298 [0,2,0,0,0,0|1,0,0]=3 813 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl Z57042068 [0,2,0,0,0,0|1,0,0]=3 814 B12R1.125 O=C(O)COC1=C(C=CC=C1)F Z56823442 [0,2,0,0,0,0|1,0,0]=3 815 B12R1.125 O=C(O)COC1=C(C=CC=C1)O Z56869464 [0,2,0,0,0,0|1,0,0]=3 816 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Br Z56827233 [0,2,0,0,0,0|1,1,0]=4 817 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Cl Z55903470 [0,2,0,0,0,0|1,1,0]=4 818 B12R1.125 O=C(O)CSC1=C(C=CC=C1)F Z55903942 [0,2,0,0,0,0|1,1,0]=4 819 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O Z905204160 [0,2,0,0,0,0|1,1,0]=4 820 B12R1.267 C=CCNCC1=C(C=CC=C1)F Z744843672 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.267 CC1=C(C=CC=C1)OCCC#N Z54337106 [0,2,0,0,0,0|0,0,2]=4 822 B12R1.267 CC1=C(C=CC=C1)OCCCN Z271006092 [0,2,0,0,0,0|0,0,2]=4 823 B12R1.267 CC1=C(C=CC=C1)OCCNN Z56978182 [0,2,0,0,0,0|1,0,1]=4 824 B12R1.267 CCCCOC1=C(C=CC=C1)Br Z149303058 [0,2,0,0,0,0|0,0,2]=4 825 B12R1.267 CCCCOC1=C(C=CC=C1)N Z239604730 [0,2,0,0,0,0|0,0,2]=4 826 B12R1.267 CNCCOC1=C(C=CC=C1)C Z138105348 [0,2,0,0,0,0|0,0,2]=4 827 B12R1.267 CNCCOC1=C(C=CC=C1)Cl Z138105384 [0,2,0,0,0,0|0,0,2]=4 828 B12R1.267 CNCCOC1=C(C=CC=C1)F Z138104722 [0,2,0,0,0,0|0,0,2]=4 829 B12R1.267 COCCOC1=C(C=CC=C1)N Z274541842 [0,2,0,0,0,0|0,0,2]=4 830 B12R1.267 N#CCCOC1=C(C=CC=C1)Cl Z54336949 [0,2,0,0,0,0|0,0,2]=4 831 B12R1.267 N#CCCOC1=C(C=CC=C1)F Z54556757 [0,2,0,0,0,0|0,0,2]=4 832 B12R1.267 NCCCOC1=C(C=CC=C1)F Z126954254 [0,2,0,0,0,0|0,0,2]=4 833 B12R1.267 NCCOCC1=C(C=CC=C1)Cl Z1259340990 [0,2,0,0,0,0|1,0,1]=4 834 B12R1.267 O=CCCCC1=C(C=CC=C1)Br Z1233207918 [0,2,0,0,0,0|1,0,1]=4 835 B12R1.267 O=CCCCC1=C(C=CC=C1)F Z1233207919 [0,2,0,0,0,0|1,0,1]=4 836 B12R1.267 OCCCOC1=C(C=CC=C1)Br Z149303380 [0,2,0,0,0,0|0,0,2]=4 837 B12R1.267 OCCCOC1=C(C=CC=C1)Cl Z149161814 [0,2,0,0,0,0|0,0,2]=4 838 B12R1.371 C=CC(=O)NC1=C(C=CC=C1)C Z440633758 [0,2,0,0,0,0|1,0,1]=4 839 B12R1.371 C=CC(=O)NC1=C(C=CC=C1)Cl Z440633680 [0,2,0,0,0,0|1,0,1]=4 840 B12R1.371 C=CC(=O)NC1=C(C=CC=C1)F Z295390598 [0,2,0,0,0,0|1,0,1]=4 841 B12R1.371 CC(CN)OC1=C(C=CC=C1)Br Z844632454 [0,2,0,0,0,0|1,0,1]=4 842 B12R1.371 CC(CN)OC1=C(C=CC=C1)Cl Z1263602349 [0,2,0,0,0,0|1,0,1]=4 843 B12R1.371 CC(CN)OC1=C(C=CC=C1)F Z844631932 [0,2,0,0,0,0|1,0,1]=4 844 B12R1.371 CC1=C(C=CC=C1)OC(C)CN Z844631964 [0,2,0,0,0,0|1,0,1]=4 845 B12R1.371 O=CC(Cl)CC1=C(C=CC=C1)Cl Z982126354 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.374 C#CCOC1=C(C=CC(=C1)Br)I Z5085291577 [0,2,0,0,0,0|0,0,2]=4 847 B12R1.374 C#CCOC1=C(C=CC(=C1)F)N Z1258992727 [0,2,0,0,0,0|0,0,2]=4 848 B12R1.374 C=CCOC1=C(C=CC(=C1)C)C Z54338240 [0,2,0,0,0,0|0,0,0]=2 849 B12R1.374 CC1=CC(=C(C=C1)C)OCCBr Z56950515 [0,2,0,0,0,0|1,0,1]=4 850 B12R1.374 CC1=CC(=C(C=C1)Cl)OCCN Z2941520842 [0,2,0,0,0,0|1,0,1]=4 851 B12R1.374 CC1=CC(=C(C=C1)I)OCC#N Z1328983614 [0,2,0,0,0,0|1,0,1]=4 852 B12R1.374 CCCOC1=C(C=CC(=C1)C)N Z295458030 [0,2,0,0,0,0|0,0,2]=4 853 B12R1.374 ClC1=CC(=C(C=C1)Cl)OCCBr Z94597999 [0,2,0,0,0,0|1,0,1]=4 854 B12R1.374 N#CCOC1=C(C=CC(=C1)F)N Z285182630 [0,2,0,0,0,0|1,0,1]=4 855 B12R1.374 NC1=C(C=C(C=C1)F)OCCO Z335092236 [0,2,0,0,0,0|1,0,1]=4 856 B12R1.374 OCCOC1=C(C=CC(=C1)Br)Cl Z428710928 [0,2,0,0,0,0|1,0,1]=4 857 B12R1.374 OCCOC1=C(C=CC(=C1)Br)F Z1607545313 [0,2,0,0,0,0|1,0,1]=4 858 B12R1.374 OCCOC1=C(C=CC(=C1)Cl)Cl Z71189926 [0,2,0,0,0,0|1,0,1]=4 859 B12R1.1631 CC1=CC=CC(=C1OCCBr)C Z56960246 [0,2,0,0,0,0|1,0,1]=4 860 B12R1.1631 CC1=CC=CC(=C1OCCN)C Z425449774 [0,2,0,0,0,0|1,0,1]=4 861 B12R1.1631 CC1=CC=CC(=C1OCCO)C Z425795494 [0,2,0,0,0,0|1,0,1]=4 862 B12R1.1631 CCCOC1=C(C=CC=C1N)F Z1695929963 [0,2,0,0,0,0|0,0,2]=4 863 B12R1.1631 ClC1=CC=CC(=C1OCCBr)Cl Z56960266 [0,2,0,0,0,0|1,0,1]=4 864 B12R1.1631 NCCOC1=C(C=CC=C1F)Cl Z1416178788 [0,2,0,0,0,0|1,0,1]=4 865 B12R1.1631 O=CCCC1=C(C=CC=C1Cl)Cl Z993017858 [0,2,0,0,0,0|2,0,0]=4 866 B12R1.1631 O=CCCC1=C(C=CC=C1Cl)F Z993017832 [0,2,0,0,0,0|2,0,0]=4 867 B12R1.28 BrCCCOC1=CC(=CC=C1)I Z381428588 [0,2,0,0,0,0|0,0,2]=4 868 B12R1.28 C=CCCOC1=CC=CC(=C1)N Z1219749397 [0,2,0,0,0,0|0,0,0]=2 869 B12R1.28 CC1=CC(=CC=C1)OCCCN Z137642328 [0,2,0,0,0,0|0,0,2]=4 870 B12R1.28 CCCCOC1=CC(=CC=C1)N Z802665964 [0,2,0,0,0,0|0,0,2]=4 871 B12R1.28 CNCCOC1=CC(=CC=C1)C Z147652434 [0,2,0,0,0,0|0,0,2]=4 872 B12R1.28 CNCCOC1=CC(=CC=C1)Cl Z138105424 [0,2,0,0,0,0|0,0,2]=4 873 B12R1.28 COCCOC1=CC(=CC=C1)Br Z285938612 [0,2,0,0,0,0|0,0,2]=4 874 B12R1.28 COCCOC1=CC(=CC=C1)N Z285182536 [0,2,0,0,0,0|0,0,2]=4 875 B12R1.28 COCCOC1=CC(=CC=C1)O Z381415582 [0,2,0,0,0,0|0,0,2]=4 876 B12R1.28 NCCCOC1=CC(=CC=C1)F Z2940631631 [0,2,0,0,0,0|0,0,2]=4 877 B12R1.28 NCCOCC1=CC(=CC=C1)Cl Z1891776830 [0,2,0,0,0,0|1,0,1]=4 878 B12R1.28 OCCCOC1=CC(=CC=C1)Br Z425795856 [0,2,0,0,0,0|0,0,2]=4 879 B12R1.50 C=CC(=O)NC1=CC=CC(=C1)Br Z381016842 [0,2,0,0,0,0|1,0,1]=4 880 B12R1.50 C=CC(=O)NC1=CC=CC(=C1)C Z440633644 [0,2,0,0,0,0|1,0,1]=4 881 B12R1.50 C=CC(=O)NC1=CC=CC(=C1)Cl Z440633660 [0,2,0,0,0,0|1,0,1]=4 882 B12R1.50 C=CC(=O)NC1=CC=CC(=C1)F Z440633662 [0,2,0,0,0,0|1,0,1]=4 883 B12R1.50 CC(CN)OC1=CC(=CC=C1)Br Z844632504 [0,2,0,0,0,0|1,0,1]=4 884 B12R1.50 CC(CN)OC1=CC(=CC=C1)Cl Z1263820268 [0,2,0,0,0,0|1,0,1]=4 885 B12R1.50 CC(CN)OC1=CC(=CC=C1)F Z844631990 [0,2,0,0,0,0|1,0,1]=4 886 B12R1.50 CC1=CC=CC(=C1)OC(C)CN Z844631960 [0,2,0,0,0,0|1,0,1]=4 887 B12R1.50 CCC(C)OC1=CC(=CC=C1)N Z331149114 [0,2,0,0,0,0|0,0,2]=4 888 B12R1.100 C#CCOC1=CC(=CC(=C1)F)F Z1013753870 [0,2,0,0,0,0|0,0,2]=4 889 B12R1.100 CC1=CC(=CC(=C1)N)OCCO Z1895742255 [0,2,0,0,0,0|1,0,1]=4 890 B12R1.100 CC1=CC(=CC(=C1)OCCBr)C Z57057715 [0,2,0,0,0,0|1,0,1]=4 891 B12R1.100 CC1=CC(=CC(=C1)OCCN)C Z763366274 [0,2,0,0,0,0|1,0,1]=4 892 B12R1.100 N#CCOC1=CC(=CC(=C1)Cl)Cl Z54686658 [0,2,0,0,0,0|1,0,1]=4 893 B12R1.100 NCCOC1=CC(=CC(=C1)Cl)Cl Z3235197431 [0,2,0,0,0,0|1,0,1]=4 894 B12R1.100 NCCOC1=CC(=CC(=C1)F)F Z1509466755 [0,2,0,0,0,0|1,0,1]=4 895 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [0,2,0,0,0,0|1,0,1]=4 896 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [0,2,0,0,0,0|1,0,1]=4 897 B12R1.226 CC(C)COC1=CC(=CC=C1)N Z223656242 [0,2,0,0,0,0|0,0,2]=4 898 B12R1.226 CC(N)COC1=CC(=CC=C1)F Z271017410 [0,2,0,0,0,0|0,0,2]=4 899 B12R1.226 CC(O)COC1=CC(=CC=C1)F Z854226860 [0,2,0,0,0,0|0,0,2]=4 900 B12R1.226 CC1=CC(=CC=C1)CCC(=O)N Z194976514 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.226 CC1=CC(=CC=C1)NCC(=O)N Z104589324 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N Z19732960 [0,2,0,0,0,0|1,0,0]=3 904 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O Z56899056 [0,2,0,0,0,0|1,0,0]=3 905 B12R1.226 CC1=CC(=CC=C1)SCC(=O)O Z778642574 [0,2,0,0,0,0|1,1,0]=4 906 B12R1.226 CC1=CC=CC(=C1)OCC(C)N Z271016790 [0,2,0,0,0,0|0,0,2]=4 907 B12R1.226 FC(F)COC1=CC(=CC=C1)Br Z608352774 [0,2,0,0,0,0|1,0,1]=4 908 B12R1.226 NC(=O)CCC1=CC(=CC=C1)N Z414316850 [0,2,0,0,0,0|2,0,0]=4 909 B12R1.226 NC(=O)CNC1=CC(=CC=C1)Br Z104587998 [0,2,0,0,0,0|2,0,0]=4 910 B12R1.226 NC(=O)CNC1=CC(=CC=C1)F Z104640682 [0,2,0,0,0,0|2,0,0]=4 911 B12R1.226 NC(=O)COC1=CC(=CC=C1)F Z19755608 [0,2,0,0,0,0|1,0,0]=3 912 B12R1.226 NC(=O)COC1=CC(=CC=C1)I Z25076202 [0,2,0,0,0,0|1,0,0]=3 913 B12R1.226 NC(=O)COC1=CC(=CC=C1)N Z235344273 [0,2,0,0,0,0|1,0,0]=3 914 B12R1.226 NC(=O)COC1=CC(=CC=C1)O Z381415558 [0,2,0,0,0,0|1,0,0]=3 915 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [0,2,0,0,0,0|2,0,0]=4 916 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [0,2,0,0,0,0|2,0,0]=4 917 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [0,2,0,0,0,0|2,0,0]=4 918 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl Z274534700 [0,2,0,0,0,0|2,0,0]=4 919 B12R1.226 O=C(O)COC1=CC(=CC=C1)Br Z56812737 [0,2,0,0,0,0|1,0,0]=3 920 B12R1.226 O=C(O)COC1=CC(=CC=C1)Cl Z57008935 [0,2,0,0,0,0|1,0,0]=3 921 B12R1.226 O=C(O)COC1=CC(=CN=C1)Br Z1206892989 [0,2,0,0,0,0|2,0,0]=4 922 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Br Z255149890 [0,2,0,0,0,0|1,1,0]=4 923 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Cl Z994465872 [0,2,0,0,0,0|1,1,0]=4 924 B12R1.226 O=C(O)CSC1=CC(=CC=C1)F Z1198220671 [0,2,0,0,0,0|1,1,0]=4 925 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [0,2,0,0,0,0|1,1,0]=4 926 B12R1.382 C#CCOC1=CC(=CC=C1)C#N Z54482838 [0,2,0,0,0,0|0,0,2]=4 927 B12R1.382 C#CCOC1=CC=CC(=C1)CN Z2065464308 [0,2,0,0,0,0|0,0,2]=4 928 B12R1.382 C#CCOC1=CC=CC(=C1)CO Z335246168 [0,2,0,0,0,0|0,0,2]=4 929 B12R1.382 C#CCOC1=CC=CC(=C1)OC Z54475225 [0,2,0,0,0,0|0,0,2]=4 930 B12R1.382 C=CCCC1=CC(=CC=C1)C=O Z1511874801 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.382 C=CCOC1=CC(=CC=C1)C=O Z54337144 [0,2,0,0,0,0|0,0,0]=2 932 B12R1.382 CCC1=CC(=CC=C1)OCCBr Z90123571 [0,2,0,0,0,0|1,0,1]=4 933 B12R1.382 CCCOC1=CC(=CC=C1)C#N Z54774652 [0,2,0,0,0,0|0,0,2]=4 934 B12R1.382 CCCOC1=CC(=CC=C1)C=O Z53836053 [0,2,0,0,0,0|0,0,2]=4 935 B12R1.382 CCCOC1=CC(=CC=C1)CN Z444311274 [0,2,0,0,0,0|0,0,2]=4 936 B12R1.382 COC1=CC(=CC=C1)CCC=O Z993017768 [0,2,0,0,0,0|2,0,0]=4 937 B12R1.382 COC1=CC(=CC=C1)OCCN Z335452802 [0,2,0,0,0,0|1,0,1]=4 938 B12R1.382 N#CC1=CC=CC(=C1)OCCBr Z285922284 [0,2,0,0,0,0|1,0,1]=4 939 B12R1.382 N#CC1=CC=CC(=C1)OCCN Z4105362361 [0,2,0,0,0,0|1,0,1]=4 940 B12R1.382 N#CCOC1=CC=CC(=C1)C=O Z53793722 [0,2,0,0,0,0|1,0,1]=4 941 B12R1.382 N#CCOC1=CC=CC(=C1)CN Z1267881707 [0,2,0,0,0,0|1,0,1]=4 942 B12R1.382 O=CC1=CC=CC(=C1)OCCO Z295452940 [0,2,0,0,0,0|1,0,1]=4 943 B12R1.8 C#CCNOCC1=CC=CC=C1 Z1251328742 [0,2,0,0,0,0|0,0,2]=4 944 B12R1.8 C=CCNCCC1=CC=CC=C1 Z90513756 [0,2,0,0,0,0|1,0,0]=3 945 B12R1.8 CCCCCOC1=CC=CC=C1 Z239095428 [0,2,0,0,0,0|0,0,2]=4 946 B12R1.8 CNCCCOC1=CC=CC=C1 Z163881564 [0,2,0,0,0,0|0,0,2]=4 947 B12R1.8 N#CCCOCC1=CC=CC=C1 Z317037710 [0,2,0,0,0,0|0,0,2]=4 948 B12R1.8 NCCCOCC1=CC=CC=C1 Z104377938 [0,2,0,0,0,0|0,0,2]=4 949 B12R1.8 NCCOCCC1=CC=CC=C1 Z1270210787 [0,2,0,0,0,0|1,0,1]=4 950 B12R1.8 O=CCCCOC1=CC=CC=C1 Z993017686 [0,2,0,0,0,0|0,0,1]=3 951 B12R1.8 OCCCCOC1=CC=CC=C1 Z425795850 [0,2,0,0,0,0|0,0,2]=4 952 B12R1.8 OCCCOCC1=CC=CC=C1 Z1080358454 [0,2,0,0,0,0|0,0,2]=4 953 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 Z1266856412 [0,2,0,0,0,0|1,0,1]=4 954 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 Z1198183530 [0,2,0,0,0,0|1,0,1]=4 955 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 Z56757233 [0,2,0,0,0,0|1,0,1]=4 956 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [0,2,0,0,0,0|1,0,1]=4 957 B12R1.27 CC(CO)COC1=CC=CC=C1 Z1255385347 [0,2,0,0,0,0|0,0,2]=4 958 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [0,2,0,0,0,0|1,0,1]=4 959 B12R1.27 CC(COC1=CC=CC=C1)NN Z2286637842 [0,2,0,0,0,0|0,0,2]=4 960 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [0,2,0,0,0,0|1,0,1]=4 961 B12R1.27 CNC(=O)COC1=CC=CC=C1 Z19735428 [0,2,0,0,0,0|0,0,1]=3 962 B12R1.27 CNC(=O)CSC1=CC=CC=C1 Z19750829 [0,2,0,0,0,0|0,1,1]=4 963 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [0,2,0,0,0,0|1,0,1]=4 964 B12R1.27 COC(=O)CNC1=CC=CC=C1 Z1250132387 [0,2,0,0,0,0|1,0,1]=4 965 B12R1.27 N/C(=N\O)/CCC1=CC=CC=C1 Z285132818 [0,2,0,0,0,0|2,0,0]=4 966 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 Z104341168 [0,2,0,0,0,0|1,0,0]=3 967 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [0,2,0,0,0,0|1,0,1]=4 968 B12R1.27 NCC(O)COC1=CC=CC=C1 Z271072310 [0,2,0,0,0,0|0,0,2]=4 969 B12R1.27 NNC(=O)CNC1=CC=CC=C1 Z56886393 [0,2,0,0,0,0|2,0,0]=4 970 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [0,2,0,0,0,0|1,0,1]=4 971 B12R1.27 O=C(CCl)COC1=CC=CC=C1 Z1255416714 [0,2,0,0,0,0|0,0,1]=3 972 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Z1201626370 [0,2,0,0,0,0|0,0,2]=4 973 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [0,2,0,0,0,0|1,0,1]=4 974 B12R1.252 CC(N)COCC1=CC=CC=C1 Z271012730 [0,2,0,0,0,0|0,0,2]=4 975 B12R1.252 N=C(N)COCC1=CC=CC=C1 Z2574925846 [0,2,0,0,0,0|1,0,0]=3 976 B12R1.252 N=C(N)CSCC1=CC=CC=C1 Z1795818268 [0,2,0,0,0,0|1,1,0]=4 977 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [0,2,0,0,0,0|1,0,1]=4 978 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [0,2,0,0,0,0|0,0,1]=3 979 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [0,2,0,0,0,0|0,1,1]=4 980 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [0,2,0,0,0,0|2,0,0]=4 981 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [0,2,0,0,0,0|1,0,0]=3 982 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [0,2,0,0,0,0|2,0,0]=4 983 B12R1.252 NC(=O)NOCC1=CC=CC=C1 Z56787772 [0,2,0,0,0,0|2,0,0]=4 984 B12R1.252 NC(=S)NCCC1=CC=CC=C1 Z56933803 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.252 O=C(O)/C=C/SC1=CC=CC=C1 Z104378002 [0,2,0,0,0,0|0,1,1]=4 986 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 Z976639296 [0,2,0,0,0,0|2,0,0]=4 987 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [0,2,0,0,0,0|1,0,1]=4 988 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,2,0,0,0,0|1,0,1]=4 989 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [0,2,0,0,0,0|0,0,1]=3 990 B12R1.252 O=C(O)CCOC1=CN=CC=C1 Z336080826 [0,2,0,0,0,0|1,0,1]=4 991 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [0,2,0,0,0,0|0,1,1]=4 992 B12R1.252 O=C(O)COCC1=CC=NC=C1 Z1262561205 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.252 O=C(O)COCC1=CN=CC=C1 Z1262555665 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.252 O=C(O)COCC1=NC=CC=C1 Z1262528420 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [0,2,0,0,0,0|1,1,0]=4 996 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [0,2,0,0,0,0|1,0,1]=4 997 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.43 CC(N)C(C)OC1=CC=CC=C1 Z803066446 [0,2,0,0,0,0|0,0,2]=4 999 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [0,2,0,0,0,0|1,0,0]=3 1001 B12R1.43 CC(OC1=CN=CC=C1)C(=O)O Z336080820 [0,2,0,0,0,0|2,0,0]=4 1002 B12R1.43 CC(OC1=NC=CC=C1)C(=O)O Z360507460 [0,2,0,0,0,0|2,0,0]=4 1003 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [0,2,0,0,0,0|1,1,0]=4 1004 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [0,2,0,0,0,0|1,1,0]=4 1005 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [0,2,0,0,0,0|2,0,0]=4 1006 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,2,0,0,0,0|2,0,0]=4 1007 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,2,0,0,0,0|2,0,0]=4 1008 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,2,0,0,0,0|2,0,0]=4 1009 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,2,0,0,0,0|2,0,0]=4 1010 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,2,0,0,0,0|2,0,0]=4 1011 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,2,0,0,0,0|2,0,0]=4 1013 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,2,0,0,0,0|2,0,0]=4 1014 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,2,0,0,0,0|2,0,0]=4 1015 B12R1.118 CCC(C#N)OC1=CC=CC=C1 Z851010186 [0,2,0,0,0,0|0,0,2]=4 1016 B12R1.118 CCC(CN)OC1=CC=CC=C1 Z851004988 [0,2,0,0,0,0|0,0,2]=4 1017 B12R1.118 COC(C=O)CC1=CC=CC=C1 Z1511872212 [0,2,0,0,0,0|2,0,0]=4 1018 B12R1.194 C=CS(=O)(=O)NC1=CC=CC=C1 Z1336450025 [0,2,0,0,0,0|2,0,0]=4 1019 B12R1.194 C=CS(=O)(=O)OC1=CC=CC=C1 Z85923402 [0,2,0,0,0,0|1,0,0]=3 1020 B12R1.194 CC(C)(C=O)CC1=CC=CC=C1 Z1188488760 [0,2,0,0,0,0|2,0,0]=4 1021 B12R1.194 CC(C)(C=O)OC1=CC=CC=C1 Z1511766557 [0,2,0,0,0,0|1,0,0]=3 1022 B12R1.194 NCC(F)(F)OC1=CC=CC=C1 Z4201275590 [0,2,0,0,0,0|1,0,1]=4 1023 B12R1.891 CC(C)(N)COC1=CC=CC=C1 Z4824791821 [0,2,0,0,0,0|0,0,2]=4 1024 B12R1.891 CC(C)(O)COC1=CC=CC=C1 Z600459798 [0,2,0,0,0,0|0,0,2]=4 1025 B10R2.6 C1=CC=C(C=C1)C2CO2 Z104486008 [1,0,0,1,0,0|1,0,1]=4 1026 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 Z1255356265 [1,0,0,1,0,0|1,0,1]=4 1027 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 Z1255390768 [1,0,0,1,0,0|1,0,1]=4 1028 B10R2.7 C1=CC2=C(C=C1)CC=C2 Z104476162 [1,0,0,1,0,0|0,0,0]=2 1029 B10R2.7 C1=CC2=C(C=C1)CNC2 Z1263820391 [1,0,0,1,0,0|1,0,1]=4 1030 B10R2.7 C1=CC2=C(C=C1)COC2 Z839134770 [1,0,0,1,0,0|1,0,1]=4 1031 B10R2.7 C1=CC2=C(C=C1)NC=C2 Z57833933 [1,0,0,1,0,0|1,0,0]=3 1032 B10R2.7 C1=CC2=C(C=C1)NC=N2 Z57069879 [1,0,0,1,0,0|2,0,0]=4 1033 B10R2.7 C1=CC2=C(C=C1)NCC2 Z104475582 [1,0,0,1,0,0|1,0,1]=4 1034 B10R2.7 C1=CC2=C(C=C1)NN=C2 Z276614452 [1,0,0,1,0,0|2,0,0]=4 1035 B10R2.7 C1=CC2=C(C=C1)OC=C2 Z56347207 [1,0,0,1,0,0|0,0,0]=2 1036 B10R2.7 C1=CC2=C(C=C1)OCC2 Z104505448 [1,0,0,1,0,0|0,0,1]=3 1037 B10R2.7 C1=CC2=C(C=C1)ON=C2 Z220335556 [1,0,0,1,0,0|1,0,0]=3 1038 B10R2.7 C1=CC2=C(C=C1)SC=C2 Z370711590 [1,0,0,1,0,0|0,1,0]=3 1039 B10R2.7 C1=CC2=C(C=C1)SC=N2 Z104472964 [1,0,0,1,0,0|1,1,0]=4 1040 B10R2.7 C1=CC2=C(C=CN2)C=N1 Z1079456082 [1,0,0,1,0,0|2,0,0]=4 1041 B10R2.7 C1=CC2=C(C=CO2)N=C1 Z2831987589 [1,0,0,1,0,0|1,0,0]=3 1042 B10R2.7 C1=CC2=C(C=CS2)C=N1 Z810507710 [1,0,0,1,0,0|1,1,0]=4 1043 B10R2.7 C1=CC2=C(C=N1)CCO2 Z1681336163 [1,0,0,1,0,0|1,0,1]=4 1044 B10R2.7 C1=CC2=C(C=N1)NC=C2 Z871773918 [1,0,0,1,0,0|2,0,0]=4 1045 B10R2.7 C1=CC2=C(N=C1)NC=C2 Z271099378 [1,0,0,1,0,0|2,0,0]=4 1046 B10R2.7 C1=CC2=NC=CN2C=C1 Z838912682 [1,0,0,1,0,0|2,0,0]=4 1047 B10R2.7 C1=CNC2=CC=NC2=C1 Z1925930568 [1,0,0,1,0,0|2,0,0]=4 1048 B10R2.320 NC1CC2=C1C=CC=C2 Z1918018858 [1,0,0,1,0,0|1,0,1]=4 1049 B12R2.24 BrC1=CC2=C(C=C1)C=NC=C2 Z1258567795 [0,1,0,1,0,0|2,0,0]=4 1050 B12R2.24 BrC1=CC2=C(C=C1)N=CC=C2 Z732220500 [0,1,0,1,0,0|1,0,1]=4 1051 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 Z1741976975 [0,1,0,1,0,0|1,0,1]=4 1052 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 Z56944508 [0,1,0,1,0,0|1,0,1]=4 1053 B12R2.24 BrC1=CC2=C(C=CC=C2)C=C1 Z166622678 [0,1,0,1,0,0|1,0,1]=4 1054 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 Z337707764 [0,1,0,1,0,0|1,0,1]=4 1055 B12R2.24 BrC1=NN=C2C=CC=CC2=C1 Z1269157470 [0,1,0,1,0,0|2,0,0]=4 1056 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 Z1201624992 [0,1,0,1,0,0|2,0,0]=4 1057 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 Z277960616 [0,1,0,1,0,0|1,0,1]=4 1058 B12R2.24 CC1=CC2=C(C=C1)NCCO2 Z1203731551 [0,1,0,1,0,0|1,0,1]=4 1059 B12R2.24 CC1=CC2=C(C=C1)OCCC2 Z939648534 [0,1,0,1,0,0|0,0,2]=4 1060 B12R2.24 CC1=CC2=C(C=CC=C2)C=C1 Z104476894 [0,1,0,1,0,0|1,0,1]=4 1061 B12R2.24 CC1=CC2=C(C=CC=C2)N=C1 Z1217215047 [0,1,0,1,0,0|1,0,1]=4 1062 B12R2.24 CC1=CC2=C(C=CN=C2)C=C1 Z1198320696 [0,1,0,1,0,0|2,0,0]=4 1063 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 Z56926563 [0,1,0,1,0,0|1,0,1]=4 1064 B12R2.24 CC1=NC2=C(C=CC=C2)SC1 Z2895174345 [0,1,0,1,0,0|0,1,1]=4 1065 B12R2.24 CC1=NC=C2C=CC=CC2=C1 Z1255419276 [0,1,0,1,0,0|2,0,0]=4 1066 B12R2.24 CC1CNC2=C(O1)C=CC=C2 Z1165160777 [0,1,0,1,0,0|1,0,1]=4 1067 B12R2.24 CC1COC2=C(N1)C=CC=C2 Z1201621516 [0,1,0,1,0,0|0,0,2]=4 1068 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 Z56791123 [0,1,0,1,0,0|2,0,0]=4 1069 B12R2.24 ClC1=CC2=C(C=C1)C=NC=C2 Z1198267117 [0,1,0,1,0,0|2,0,0]=4 1070 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 Z425469218 [0,1,0,1,0,0|1,0,1]=4 1071 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 Z1198179941 [0,1,0,1,0,0|1,0,1]=4 1072 B12R2.24 ClC1=CC2=C(C=C1)OCCO2 Z382713970 [0,1,0,1,0,0|1,0,1]=4 1073 B12R2.24 ClC1=CC2=C(C=CC=C2)C=C1 Z1255485910 [0,1,0,1,0,0|1,0,1]=4 1074 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 Z1198150534 [0,1,0,1,0,0|2,0,0]=4 1075 B12R2.24 ClC1=NN=C2C=CC=CC2=C1 Z1255399482 [0,1,0,1,0,0|2,0,0]=4 1076 B12R2.24 FC1=CC2=C(C=C1)C=NC=C2 Z916823870 [0,1,0,1,0,0|2,0,0]=4 1077 B12R2.24 FC1=CC2=C(C=C1)N=CC=C2 Z361878560 [0,1,0,1,0,0|1,0,1]=4 1078 B12R2.24 IC1=CC2=C(C=C1)N=CC=C2 Z993990690 [0,1,0,1,0,0|1,0,1]=4 1079 B12R2.24 IC1=CC2=C(C=CC=C2)N=C1 Z1172379319 [0,1,0,1,0,0|1,0,1]=4 1080 B12R2.24 NC1=CC2=C(C=C1)N=CC=C2 Z255114686 [0,1,0,1,0,0|1,0,1]=4 1081 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Z728136682 [0,1,0,1,0,0|0,0,2]=4 1082 B12R2.24 NC1=CC2=C(C=C1)OCCO2 Z56893112 [0,1,0,1,0,0|1,0,1]=4 1083 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 Z104494980 [0,1,0,1,0,0|1,0,1]=4 1084 B12R2.24 NC1=CC2=C(C=CC=C2)N=C1 Z234895085 [0,1,0,1,0,0|1,0,1]=4 1085 B12R2.24 NC1=CC2=C(C=CC=N2)C=C1 Z3069264308 [0,1,0,1,0,0|1,0,1]=4 1086 B12R2.24 NC1=NC2=C(C=CC=C2)C=C1 Z56347237 [0,1,0,1,0,0|1,0,1]=4 1087 B12R2.24 NC1=NC=C2C=CC=CC2=C1 Z1201619117 [0,1,0,1,0,0|2,0,0]=4 1088 B12R2.24 NC1=NN=C2C=CC=CC2=C1 Z1198155761 [0,1,0,1,0,0|2,0,0]=4 1089 B12R2.24 NC1COC2=C(C1)C=CC=C2 Z415636540 [0,1,0,1,0,0|0,0,2]=4 1090 B12R2.24 O=C1C=C2C=CC=CC2=CN1 Z1203731786 [0,1,0,1,0,0|2,0,0]=4 1091 B12R2.24 O=C1C=CC2=C(N1)C=CC=C2 Z57473020 [0,1,0,1,0,0|1,0,1]=4 1092 B12R2.24 O=C1C=CC2=C(O1)C=CC=C2 Z57169486 [0,1,0,1,0,0|0,0,1]=3 1093 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 Z104495562 [0,1,0,1,0,0|1,0,1]=4 1094 B12R2.24 O=C1CCC2=C(N1)C=CC=C2 Z85917566 [0,1,0,1,0,0|2,0,0]=4 1095 B12R2.24 O=C1CCC2=C(O1)C=CC=C2 Z586249466 [0,1,0,1,0,0|2,0,0]=4 1096 B12R2.24 O=C1CNC2=C(N1)C=CC=C2 Z56990723 [0,1,0,1,0,0|2,0,0]=4 1097 B12R2.24 O=C1COC2=C(N1)C=CC=C2 Z56989567 [0,1,0,1,0,0|1,0,0]=3 1098 B12R2.24 O=C1COC2=C(N1)C=CC=N2 Z1198157043 [0,1,0,1,0,0|2,0,0]=4 1099 B12R2.24 O=C1COC2=C(N1)C=NC=C2 Z1198175968 [0,1,0,1,0,0|2,0,0]=4 1100 B12R2.24 O=C1COC2=C(N1)N=CC=C2 Z1255378941 [0,1,0,1,0,0|2,0,0]=4 1101 B12R2.24 O=C1CSC2=C(N1)C=CC=C2 Z55120717 [0,1,0,1,0,0|1,1,0]=4 1102 B12R2.24 OC1=CC2=C(C=C1)C=NC=C2 Z2753800586 [0,1,0,1,0,0|2,0,0]=4 1103 B12R2.24 OC1=CC2=C(C=C1)N=CC=C2 Z759294450 [0,1,0,1,0,0|1,0,1]=4 1104 B12R2.24 OC1=CC2=C(C=C1)NCCO2 Z4967332209 [0,1,0,1,0,0|1,0,1]=4 1105 B12R2.24 OC1=CC2=C(C=C1)OCCC2 Z1201627010 [0,1,0,1,0,0|0,0,2]=4 1106 B12R2.24 OC1=CC2=C(C=C1)OCCN2 Z3234815231 [0,1,0,1,0,0|1,0,1]=4 1107 B12R2.24 OC1=CC2=C(C=C1)OCCO2 Z168827500 [0,1,0,1,0,0|1,0,1]=4 1108 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 Z57127515 [0,1,0,1,0,0|1,0,1]=4 1109 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 Z1255419538 [0,1,0,1,0,0|1,0,1]=4 1110 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 Z56928661 [0,1,0,1,0,0|2,0,0]=4 1111 B12R2.24 SC1=NC2=C(C=CC=C2)C=C1 Z203045038 [0,1,0,1,0,0|1,0,1]=4 1112 B12R2.132 CC1=CC2=C(C=C1)CCC2=O Z814904824 [0,1,0,1,0,0|2,0,0]=4 1113 B12R2.132 CC1=CC2=C(C=C1)OCC2N Z1431002725 [0,1,0,1,0,0|1,0,1]=4 1114 B12R2.132 CC1=COC2=C1C=C(C=C2)Br Z1269218033 [0,1,0,1,0,0|0,0,2]=4 1115 B12R2.132 CC1=COC2=C1C=C(C=C2)Cl Z1198170631 [0,1,0,1,0,0|0,0,2]=4 1116 B12R2.132 CC1=COC2=C1C=C(C=C2)F Z1255384789 [0,1,0,1,0,0|0,0,2]=4 1117 B12R2.132 CC1=COC2=C1C=C(C=C2)N Z1203586519 [0,1,0,1,0,0|0,0,2]=4 1118 B12R2.132 FC1=CC2=C(C=C1)OC=C2Br Z1551949935 [0,1,0,1,0,0|1,0,1]=4 1119 B12R2.132 NC1=CC2=C(C=C1)CCC2=O Z1201619096 [0,1,0,1,0,0|2,0,0]=4 1120 B12R2.132 NC1=NOC2=C1C=C(C=C2)Br Z1269129668 [0,1,0,1,0,0|2,0,0]=4 1121 B12R2.132 NC1=NOC2=C1C=C(C=C2)Cl Z1255458428 [0,1,0,1,0,0|2,0,0]=4 1122 B12R2.132 NC1=NOC2=C1C=C(C=C2)F Z1255462148 [0,1,0,1,0,0|2,0,0]=4 1123 B12R2.132 NC1COC2=C1C=C(C=C2)Br Z3241275758 [0,1,0,1,0,0|1,0,1]=4 1124 B12R2.132 NC1COC2=C1C=C(C=C2)Cl Z1431002566 [0,1,0,1,0,0|1,0,1]=4 1125 B12R2.132 NC1COC2=C1C=C(C=C2)F Z1698549696 [0,1,0,1,0,0|1,0,1]=4 1126 B12R2.132 O=C1CCC2=C1C=C(C=C2)F Z814904728 [0,1,0,1,0,0|2,0,0]=4 1127 B12R2.132 O=C1CCC2=C1C=C(C=C2)I Z1269230336 [0,1,0,1,0,0|2,0,0]=4 1128 B12R2.132 O=C1COC2=C1C=C(C=C2)Cl Z334863058 [0,1,0,1,0,0|1,0,0]=3 1129 B12R2.132 O=C1COC2=C1C=C(C=C2)F Z334863052 [0,1,0,1,0,0|1,0,0]=3 1130 B12R2.132 OC1=CC2=C(C=C1)OC=C2O Z1216838816 [0,1,0,1,0,0|1,0,1]=4 1131 B12R2.132 OC1=NOC2=C1C=C(C=C2)Cl Z1201619168 [0,1,0,1,0,0|2,0,0]=4 1132 B12R2.294 OC1=CC=C(C=C1)OC2CC2 Z1255401633 [0,1,0,1,0,0|0,0,2]=4 1133 B12R2.2 C1=CC(=CN=C1)C2=CC=NO2 Z1258991048 [0,1,0,1,0,0|2,0,0]=4 1134 B12R2.2 C1=CC=C(C=C1)C2=CC=CN2 Z1198155817 [0,1,0,1,0,0|1,0,1]=4 1135 B12R2.2 C1=CC=C(C=C1)C2=CC=CS2 Z57040506 [0,1,0,1,0,0|0,1,1]=4 1136 B12R2.2 C1=CC=C(C=C1)C2=CC=NN2 Z1224534135 [0,1,0,1,0,0|2,0,0]=4 1137 B12R2.2 C1=CC=C(C=C1)C2=CCNC2 Z1574940564 [0,1,0,1,0,0|1,0,1]=4 1138 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 Z1201618668 [0,1,0,1,0,0|1,0,1]=4 1139 B12R2.2 C1=CC=C(C=C1)C2=NC=CN2 Z104492164 [0,1,0,1,0,0|2,0,0]=4 1140 B12R2.2 C1=CC=C(C=C1)C2=NC=CS2 Z1198153051 [0,1,0,1,0,0|2,0,0]=4 1141 B12R2.2 C1=CC=C(C=C1)N2C=CC=C2 Z55669104 [0,1,0,1,0,0|1,0,1]=4 1142 B12R2.2 C1=CC=C(C=C1)N2C=CC=N2 Z188745060 [0,1,0,1,0,0|1,0,1]=4 1143 B12R2.2 C1=CC=C(C=C1)N2C=CN=C2 Z440825046 [0,1,0,1,0,0|1,0,1]=4 1144 B12R2.2 C1=CC=C(C=C1)N2C=CN=N2 Z1198181362 [0,1,0,1,0,0|2,0,0]=4 1145 B12R2.2 C1=CC=C(C=C1)N2C=NC=N2 Z1198156169 [0,1,0,1,0,0|2,0,0]=4 1146 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 Z336080338 [0,1,0,1,0,0|1,0,1]=4 1147 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 Z367677412 [0,1,0,1,0,0|2,0,0]=4 1148 B12R2.27 O=C[C@@H]1C[C@H]1C2=CC=CC=C2 Z2298064271 [0,1,0,1,0,0|1,0,1]=4 1149 B12R2.27 OCC1OC1C2=CC=CC=C2 Z1509054538 [0,1,0,1,0,0|1,0,1]=4 1150 B12R2.1081 BrC1=C2C=CC=CC2=CN=C1 Z57474193 [0,1,0,1,0,0|2,0,0]=4 1151 B12R2.1081 BrC1=C2C=CN=CC2=CC=C1 Z57204608 [0,1,0,1,0,0|2,0,0]=4 1152 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 Z1269224644 [0,1,0,1,0,0|2,0,0]=4 1153 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 Z839152792 [0,1,0,1,0,0|1,0,1]=4 1154 B12R2.1081 BrC1=C2NCCOC2=CC=C1 Z2943434775 [0,1,0,1,0,0|1,0,1]=4 1155 B12R2.1081 BrC1=C2OCCCC2=CC=C1 Z1269242001 [0,1,0,1,0,0|0,0,2]=4 1156 B12R2.1081 BrC1=C2OCCNC2=CC=C1 Z1983132695 [0,1,0,1,0,0|1,0,1]=4 1157 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 Z104475342 [0,1,0,1,0,0|1,0,1]=4 1158 B12R2.1081 CC1=C2C=CC=CC2=CC=N1 Z1255415440 [0,1,0,1,0,0|2,0,0]=4 1159 B12R2.1081 CC1=C2C=CC=CC2=NC=C1 Z104472668 [0,1,0,1,0,0|1,0,1]=4 1160 B12R2.1081 ClC1=C2C=CC=CC2=CC=C1 Z104504716 [0,1,0,1,0,0|1,0,1]=4 1161 B12R2.1081 ClC1=C2C=CC=CC2=NC=C1 Z431511604 [0,1,0,1,0,0|1,0,1]=4 1162 B12R2.1081 ClC1=C2C=CN=CC2=CC=C1 Z1255446597 [0,1,0,1,0,0|2,0,0]=4 1163 B12R2.1081 ClC1=C2C=NC=CC2=CC=C1 Z1201624136 [0,1,0,1,0,0|2,0,0]=4 1164 B12R2.1081 ClC1=C2N=CC=CC2=CC=C1 Z362567890 [0,1,0,1,0,0|1,0,1]=4 1165 B12R2.1081 ClC1=C2OCCNC2=CC=C1 Z1255446801 [0,1,0,1,0,0|1,0,1]=4 1166 B12R2.1081 FC1=C2C=CC=CC2=CC=C1 Z1162445957 [0,1,0,1,0,0|1,0,1]=4 1167 B12R2.1081 FC1=C2C=NC=CC2=CC=C1 Z916812496 [0,1,0,1,0,0|2,0,0]=4 1168 B12R2.1081 FC1=C2N=CC=CC2=CC=C1 Z243277338 [0,1,0,1,0,0|1,0,1]=4 1169 B12R2.1081 FC1=C2NCCOC2=CC=C1 Z1255361602 [0,1,0,1,0,0|1,0,1]=4 1170 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 Z381540734 [0,1,0,1,0,0|1,0,1]=4 1171 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 Z57127984 [0,1,0,1,0,0|1,0,1]=4 1172 B12R2.1081 NC1=C2C=CC=CC2=CC=N1 Z1203162487 [0,1,0,1,0,0|2,0,0]=4 1173 B12R2.1081 NC1=C2C=CC=CC2=CN=C1 Z1524694515 [0,1,0,1,0,0|2,0,0]=4 1174 B12R2.1081 NC1=C2C=CC=CC2=NC=C1 Z381037214 [0,1,0,1,0,0|1,0,1]=4 1175 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 Z56919160 [0,1,0,1,0,0|1,0,1]=4 1176 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 Z104472972 [0,1,0,1,0,0|2,0,0]=4 1177 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 Z1201619572 [0,1,0,1,0,0|2,0,0]=4 1178 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 Z57032752 [0,1,0,1,0,0|1,0,1]=4 1179 B12R2.1081 NC1=C2OCCCC2=CC=C1 Z1723491871 [0,1,0,1,0,0|0,0,2]=4 1180 B12R2.1081 NC1=C2OCCOC2=CC=C1 Z440625166 [0,1,0,1,0,0|1,0,1]=4 1181 B12R2.1081 NC1CCOC2=C1C=CC=C2 Z85923435 [0,1,0,1,0,0|0,0,2]=4 1182 B12R2.1081 NC1COCC2=C1C=CC=C2 Z1198178449 [0,1,0,1,0,0|1,0,1]=4 1183 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 Z1442208747 [0,1,0,1,0,0|0,0,2]=4 1184 B12R2.1081 N[N+]1=C2C=CC=CC2=CC=C1 Z56760714 [0,1,0,1,0,0|1,0,1]=4 1185 B12R2.1081 O=C1C=COC2=C1C=CC=C2 Z1218937140 [0,1,0,1,0,0|0,0,1]=3 1186 B12R2.1081 O=C1CCCC2=C1C=CC=C2 Z104477014 [0,1,0,1,0,0|1,0,1]=4 1187 B12R2.1081 O=C1CCNC2=C1C=CC=C2 Z1492781321 [0,1,0,1,0,0|1,0,1]=4 1188 B12R2.1081 O=C1CCOC2=C1C=CC=C2 Z85920466 [0,1,0,1,0,0|0,0,1]=3 1189 B12R2.1081 O=C1CCOC2=C1C=CC=N2 Z1198233082 [0,1,0,1,0,0|1,0,1]=4 1190 B12R2.1081 O=C1CCSC2=C1C=CC=C2 Z56914832 [0,1,0,1,0,0|0,1,1]=4 1191 B12R2.1081 O=C1COCC2=C1C=CC=C2 Z1201625145 [0,1,0,1,0,0|1,0,0]=3 1192 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 Z56960237 [0,1,0,1,0,0|2,0,0]=4 1193 B12R2.1081 O=C1NCCC2=C1C=CC=C2 Z56801375 [0,1,0,1,0,0|2,0,0]=4 1194 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 Z1198175817 [0,1,0,1,0,0|2,0,0]=4 1195 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 Z104474036 [0,1,0,1,0,0|1,0,1]=4 1196 B12R2.1081 OC1=C2C=CC=CC2=CN=C1 Z1198152661 [0,1,0,1,0,0|2,0,0]=4 1197 B12R2.1081 OC1=C2C=CC=CC2=NC=C1 Z818727120 [0,1,0,1,0,0|1,0,1]=4 1198 B12R2.1081 OC1=C2C=CC=CC2=NN=C1 Z104495104 [0,1,0,1,0,0|2,0,0]=4 1199 B12R2.1081 OC1=C2C=NC=CC2=CC=C1 Z5141131098 [0,1,0,1,0,0|2,0,0]=4 1200 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 Z56926518 [0,1,0,1,0,0|1,0,1]=4 1201 B12R2.1081 OC1=C2OCCCC2=CC=C1 Z1198726643 [0,1,0,1,0,0|0,0,2]=4 1202 B12R2.1081 OC1=C2OCCOC2=CC=C1 Z1069599524 [0,1,0,1,0,0|1,0,1]=4 1203 B12R2.1081 OC1CCOC2=C1C=CC=C2 Z335244980 [0,1,0,1,0,0|0,0,2]=4 1204 B12R2.1081 OC1COCC2=C1C=CC=C2 Z1255366473 [0,1,0,1,0,0|1,0,1]=4 1205 B12R2.1081 O[C@@H]1CCOC2=C1C=CC=C2 Z959151866 [0,1,0,1,0,0|0,0,2]=4 1206 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 Z959151868 [0,1,0,1,0,0|0,0,2]=4 1207 B12R2.1081 S=C1C=CNC2=C1C=CC=C2 Z1258992692 [0,1,0,1,0,0|1,0,1]=4 1208 B12R2.1081 S=C1C=NNC2=C1C=CC=C2 Z126932680 [0,1,0,1,0,0|2,0,0]=4 1209 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 Z335243948 [0,1,0,1,0,0|2,0,0]=4 1210 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 Z57131040 [0,1,0,1,0,0|2,0,0]=4 1211 B12R2.32 ClCC1CC2=C(O1)C=CC=C2 Z397587656 [0,1,0,1,0,0|1,0,1]=4 1212 B12R2.32 NCC1CC2=C(O1)C=CC=C2 Z291234246 [0,1,0,1,0,0|1,0,1]=4 1213 B12R2.32 O=CC1=CC2=C(O1)C=CC=C2 Z147641868 [0,1,0,1,0,0|1,0,1]=4 1214 B12R2.32 O=CC1=NC2=C(O1)C=CC=C2 Z1198162173 [0,1,0,1,0,0|1,0,1]=4 1215 B12R2.32 O=CC1CC2=C(C1)C=CC=C2 Z1255436588 [0,1,0,1,0,0|2,0,0]=4 1216 B12R2.32 OCC1CC2=C(O1)C=CC=C2 Z397587206 [0,1,0,1,0,0|1,0,1]=4 1217 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 Z334686316 [0,1,0,1,0,0|2,0,0]=4 1218 B12R2.196 NC1=C2CCC(=O)C2=CC=C1 Z5097408049 [0,1,0,1,0,0|2,0,0]=4 1219 B12R2.196 NC1COC2=C(C=CC=C12)Cl Z1416282556 [0,1,0,1,0,0|1,0,1]=4 1220 B12R2.196 NC1COC2=C(C=CC=C12)F Z4574897577 [0,1,0,1,0,0|1,0,1]=4 1221 B12R2.196 O=C1CCC2=C(C=CC=C12)Br Z334686326 [0,1,0,1,0,0|2,0,0]=4 1222 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl Z234895081 [0,1,0,1,0,0|2,0,0]=4 1223 B12R2.196 O=C1CCC2=C(C=CC=C12)F Z334686322 [0,1,0,1,0,0|2,0,0]=4 1224 B12R2.196 O=C1CCC2=C(C=CC=C12)O Z203881856 [0,1,0,1,0,0|2,0,0]=4 1225 B12R2.196 O=C1COC2=C(C=CC=C12)Br Z334863098 [0,1,0,1,0,0|1,0,0]=3 1226 B12R2.196 O=C1COC2=C(C=CC=C12)Cl Z334863094 [0,1,0,1,0,0|1,0,0]=3 1227 B12R2.203 CC1=C2C(=CC=C1)ON=C2N Z1203653600 [0,1,0,1,0,0|2,0,0]=4 1228 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 Z1255399735 [0,1,0,1,0,0|2,0,0]=4 1229 B12R2.203 NC1=NOC2=C1C(=CC=C2)Cl Z381676070 [0,1,0,1,0,0|2,0,0]=4 1230 B12R2.203 NC1COC2=C1C(=CC=C2)Cl Z2111525790 [0,1,0,1,0,0|1,0,1]=4 1231 B12R2.203 O=C1CCC2=CC=CC(=C12)F Z1201624056 [0,1,0,1,0,0|2,0,0]=4 1232 B12R2.203 O=C1CCC2=CC=CC(=C12)O Z1255416018 [0,1,0,1,0,0|2,0,0]=4 1233 B12R2.203 O=C1COC2=CC=CC(=C12)Cl Z1255379841 [0,1,0,1,0,0|1,0,0]=3 1234 B12R2.203 O=C1COC2=CC=CC(=C12)F Z1198342984 [0,1,0,1,0,0|1,0,0]=3 1235 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 Z318770612 [0,1,0,1,0,0|2,0,0]=4 1236 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Z1255397223 [0,1,0,1,0,0|1,0,0]=3 1237 B12R2.612 CC1=CC2=C(C=C1)C(=O)CS2 Z1255404471 [0,1,0,1,0,0|1,1,0]=4 1238 B12R2.612 CC1=NOC2=C1C=CC(=C2)Br Z765350404 [0,1,0,1,0,0|1,0,1]=4 1239 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 Z57109500 [0,1,0,1,0,0|2,0,0]=4 1240 B12R2.612 NC1=NOC2=C1C=CC(=C2)Br Z1269208232 [0,1,0,1,0,0|2,0,0]=4 1241 B12R2.612 NC1=NOC2=C1C=CC(=C2)Cl Z1255490361 [0,1,0,1,0,0|2,0,0]=4 1242 B12R2.612 NC1COC2=C1C=CC(=C2)Br Z1269171640 [0,1,0,1,0,0|1,0,1]=4 1243 B12R2.612 NC1COC2=C1C=CC(=C2)Cl Z3244818242 [0,1,0,1,0,0|1,0,1]=4 1244 B12R2.612 NC1COC2=C1C=CC(=C2)F Z3014279399 [0,1,0,1,0,0|1,0,1]=4 1245 B12R2.612 O=C1CCC2=C1C=CC(=C2)Br Z318770638 [0,1,0,1,0,0|2,0,0]=4 1246 B12R2.612 O=C1CCC2=C1C=CC(=C2)Cl Z318770634 [0,1,0,1,0,0|2,0,0]=4 1247 B12R2.612 O=C1CCC2=C1C=CC(=C2)F Z318770630 [0,1,0,1,0,0|2,0,0]=4 1248 B12R2.612 O=C1CCC2=C1C=CC(=C2)O Z1255457932 [0,1,0,1,0,0|2,0,0]=4 1249 B12R2.612 O=C1COC2=C1C=CC(=C2)Br Z1269152090 [0,1,0,1,0,0|1,0,0]=3 1250 B12R2.612 O=C1COC2=C1C=CC(=C2)Cl Z1198169822 [0,1,0,1,0,0|1,0,0]=3 1251 B12R2.612 O=C1COC2=C1C=CC(=C2)F Z1198221984 [0,1,0,1,0,0|1,0,0]=3 1252 B12R2.612 O=C1COC2=C1C=CC(=C2)O Z111875098 [0,1,0,1,0,0|1,0,0]=3 1253 B12R2.612 OC1COC2=C1C=CC(=C2)Br Z1362940613 [0,1,0,1,0,0|1,0,1]=4 1254 B12R2.612 OC1COC2=C1C=CC(=C2)Cl Z1362956560 [0,1,0,1,0,0|1,0,1]=4 1255 B12R2.1286 OC1=CC(=CC=C1)OC2CC2 Z1255397767 [0,1,0,1,0,0|0,0,2]=4 1256 B12R2.1 C=CN1C=NC2=C1C=CC=C2 Z87001578 [0,1,0,1,0,0|1,0,1]=4 1257 B12R2.1 N#CC1=COC2=C1C=CC=C2 Z1188275503 [0,1,0,1,0,0|0,0,2]=4 1258 B12R2.1 NCC1=NOC2=C1C=CC=C2 Z1203581810 [0,1,0,1,0,0|1,0,1]=4 1259 B12R2.1 NCC1COC2=C1C=CC=C2 Z1197877490 [0,1,0,1,0,0|0,0,2]=4 1260 B12R2.1 NCC1OCC2=C1C=CC=C2 Z2310708138 [0,1,0,1,0,0|1,0,1]=4 1261 B12R2.1 O=CC1=C2C=CC=CC2=NS1 Z1504687602 [0,1,0,1,0,0|2,0,0]=4 1262 B12R2.1 O=CC1=CNC2=C1C=CC=C2 Z56785575 [0,1,0,1,0,0|1,0,1]=4 1263 B12R2.1 O=CC1=COC2=C1C=CC=C2 Z1197879644 [0,1,0,1,0,0|0,0,1]=3 1264 B12R2.1 O=CC1=CSC2=C1C=CC=C2 Z199535912 [0,1,0,1,0,0|0,1,1]=4 1265 B12R2.1 O=CC1=NNC2=C1C=CC=C2 Z1065726010 [0,1,0,1,0,0|2,0,0]=4 1266 B12R2.1 O=CC1CCC2=C1C=CC=C2 Z1070003774 [0,1,0,1,0,0|1,0,1]=4 1267 B12R2.23 O=C1CCN1C2=CC=CC=C2 Z1198221109 [0,1,0,1,0,0|1,0,1]=4 1268 B12R2.2057 C1=CC=C(C=C1)OCC2CO2 Z57358969 [0,1,0,1,0,0|0,0,2]=4 1269 B12R2.18 CC1CC2=C(C1=O)C=CC=C2 Z854042930 [0,1,0,1,0,0|2,0,0]=4 1270 B12R2.18 CC1OC2=C(C1N)C=CC=C2 Z2160887371 [0,1,0,1,0,0|1,0,1]=4 1271 B12R2.18 NC1CC2=C(C1=O)C=CC=C2 Z1551475987 [0,1,0,1,0,0|2,0,0]=4 1272 B12R2.18 O=C1C2=C(C=CC=C2)CC1Cl Z854067258 [0,1,0,1,0,0|2,0,0]=4 1273 B12R2.2403 CC1(COC2=C1C=CC=C2)N Z5094222723 [0,1,0,1,0,0|0,0,2]=4 1274 B12R2.3190 N=C(N)C1CC2=C1C=CC=C2 Z1613477992 [0,1,0,1,0,0|2,0,0]=4 1275 B8R1.8 C=CCN1C=CN=C1 Z104477560 [1,0,0,0,1,0|2,0,0]=4 1276 B8R1.8 O=CCC1=CC=CO1 Z1179944709 [1,0,0,0,1,0|2,0,0]=4 1277 B8R1.8 O=CCC1=CC=CS1 Z993017816 [1,0,0,0,1,0|2,0,0]=4 1278 B8R1.8 O=CCC1=CSC=C1 Z1079442684 [1,0,0,0,1,0|2,0,0]=4