0 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.17 CCCNC1=CN=CC=C1 Z334882412 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.17 N#CCNC1=CC=CC=C1 Z56347332 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.17 N#CCNC1=NC=CC=C1 Z1203732480 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.17 N#CCOC1=CC=CC=C1 Z53792061 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.17 N#CCSC1=CC=CC=C1 Z19751391 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.17 N#CCSC1=NC=CC=C1 Z54336898 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.17 NC/C=C/C1=CC=CC=C1 Z2953771905 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.17 NCC#CC1=CC=CC=C1 Z227964210 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.17 NCCNC1=CC=NC=C1 Z317257862 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.17 NCCNC1=NC=CC=C1 Z85923460 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.17 NCCNC1=NC=CC=N1 Z381428982 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.17 NCCNC1=NN=CC=C1 Z991530796 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.17 NCCOC1=CC=NC=C1 Z3243651499 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.17 NCCOC1=CN=CC=C1 Z429662874 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.17 O=C/C=C/C1=CC=CC=C1 Z3219847383 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.17 O=C/C=C/C1=CC=NC=C1 Z2417822722 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.17 O=C/C=C/C1=NC=CC=C1 Z1255366309 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.17 O=CC#CC1=CC=CC=C1 Z1255485337 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.17 O=CCOC1=NC=CC=C1 Z1255434510 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.17 O=CNNC1=CC=CC=C1 Z1198148433 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [0,0,0,0,0,0|2,0,2]=4 42 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [0,0,0,0,0,0|2,0,1]=3 43 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.17 OCCNC1=CC=NC=C1 Z359301874 [0,0,0,0,0,0|2,0,1]=3 46 B10R1.17 OCCNC1=NC=CC=C1 Z31212159 [0,0,0,0,0,0|2,0,1]=3 47 B10R1.17 OCCNC1=NC=CC=N1 Z31212160 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.17 OCCNC1=NC=CN=C1 Z31212301 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.17 OCCNC1=NN=CC=C1 Z991531008 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.17 OCCOC1=CN=CC=C1 Z1180078238 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [0,0,0,0,0,0|2,0,1]=3 53 B10R1.17 S=C=NCC1=CC=CC=C1 Z56869309 [0,0,0,0,0,0|3,0,1]=4 54 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [1,0,0,0,0,0|0,0,2]=3 55 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [1,0,0,0,0,0|1,0,2]=4 56 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [1,0,0,0,0,0|0,0,1]=2 57 B9R1.8 CCNC1=CC=NC=C1 Z359297730 [1,0,0,0,0,0|1,0,1]=3 58 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.8 CCNC1=NN=CC=C1 Z991530898 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.8 CCSC1=CC=NC=C1 Z1376454759 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 CNCC1=CC=NC=C1 Z57390007 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.8 N#CCC1=CN=CC=C1 Z239871646 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.8 N#CCC1=NC=CC=C1 Z104476888 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 N#COC1=CC=CC=C1 Z1198165353 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.8 NNCC1=CN=CC=C1 Z370706826 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [1,0,0,0,0,0|1,0,1]=3 75 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.8 S=C=NC1=CC=CC=C1 Z56904678 [1,0,0,0,0,0|1,0,2]=4 78 B11R1.1 BrCCOC1=CC=C(C=C1)Br Z56887702 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.1 C#CCNC1=CC=C(C=C1)C Z266486858 [0,1,0,0,0,0|0,0,2]=3 80 B11R1.1 C#CCNC1=CC=C(C=C1)Cl Z3210379676 [0,1,0,0,0,0|0,0,2]=3 81 B11R1.1 C#CCNC1=CC=C(C=C1)F Z3210380008 [0,1,0,0,0,0|0,0,2]=3 82 B11R1.1 C#CCOC1=CC=C(C=C1)Br Z54475590 [0,1,0,0,0,0|1,0,2]=4 83 B11R1.1 C#CCOC1=CC=C(C=C1)C Z54775509 [0,1,0,0,0,0|1,0,2]=4 84 B11R1.1 C#CCOC1=CC=C(C=C1)Cl Z54472184 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.1 C#CCOC1=CC=C(C=C1)F Z54473259 [0,1,0,0,0,0|1,0,2]=4 86 B11R1.1 C#CCOC1=CC=C(C=C1)N Z730512948 [0,1,0,0,0,0|1,0,2]=4 87 B11R1.1 C=CCOC1=CC=C(C=C1)O Z381414818 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.1 CC1=CC=C(C=C1)NCC#N Z56855172 [0,1,0,0,0,0|1,0,1]=3 90 B11R1.1 CC1=CC=C(C=C1)OCCBr Z56886357 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.1 CC1=CC=C(C=C1)OCCN Z54747869 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.1 CC1=CC=C(C=C1)SCC#N Z54591058 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.1 CC1=CC=C(C=C1)SCCCl Z90122598 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.1 CC1=CC=C(C=C1)SCCO Z149178580 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.1 CC1=CN=C(C=C1)NCCN Z1695797833 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.1 CC1=NC=C(C=C1)CCC=O Z1233208116 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [0,1,0,0,0,0|1,0,2]=4 98 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [0,1,0,0,0,0|0,0,2]=3 99 B11R1.1 CCCOC1=CC=C(C=C1)N Z239604724 [0,1,0,0,0,0|1,0,2]=4 100 B11R1.1 CNCCC1=CC=C(C=C1)Br Z385447024 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.1 CNCCC1=CC=C(C=C1)C Z5115849578 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.1 CNCCC1=CC=C(C=C1)F Z138454998 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.1 COCCC1=CC=C(C=C1)Br Z299596190 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.1 COCCC1=CC=C(C=C1)Cl Z1470894103 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.1 COCOC1=CC=C(C=C1)N Z1259226853 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.1 CSCCC1=CC=C(C=C1)N Z732207426 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.1 ClC1=CC=C(C=C1)OCCBr Z56926557 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.1 ClCCSC1=CC=C(C=C1)Cl Z55993025 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.1 FCCOC1=CC=C(C=C1)Br Z1269166672 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.1 N#CCCC1=CC=C(C=C1)N Z4750298565 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.1 N#CCNC1=CC=C(C=C1)Br Z266466556 [0,1,0,0,0,0|1,0,1]=3 114 B11R1.1 N#CCOC1=CC=C(C=C1)Cl Z54608574 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.1 N#CCOC1=CC=C(C=C1)F Z53791434 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.1 N#CCOC1=CC=C(C=C1)N Z57052858 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.1 N#CCSC1=CC=C(C=C1)Br Z18744575 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.1 N#CCSC1=CC=C(C=C1)Cl Z19728982 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.1 N#CCSC1=CC=C(C=C1)F Z16034822 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.1 NC1=CC=C(C=C1)OCCF Z1262631146 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.1 NCCOC1=CC=C(C=C1)Br Z1262237188 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.1 NCCOC1=CC=C(C=C1)Cl Z85957193 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.1 NCCOC1=CC=C(C=C1)F Z87000937 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.1 NCCOC1=CC=C(C=C1)I Z381428104 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.1 NCCSC1=CC=C(C=C1)Br Z262221984 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.1 NCCSC1=CC=C(C=C1)Cl Z54751093 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.1 NCCSC1=CC=C(C=C1)F Z1267773811 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Br Z1269187977 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Cl Z2242062296 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.1 O=C/C=C/C1=CC=C(C=C1)F Z2768202189 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.1 O=CCOC1=CC=C(C=C1)F Z854102568 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.1 O=CCSC1=CC=C(C=C1)F Z854102782 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.1 OCCNC1=CC=C(C=C1)Br Z335275406 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.1 OCCNC1=NC=C(C=C1)I Z1269164771 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.1 OCCOC1=CC=C(C=C1)Br Z335092354 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.1 OCCSC1=CC=C(C=C1)Br Z149190682 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.1 OCCSC1=CC=C(C=C1)Cl Z149162370 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [0,1,0,0,0,0|1,0,2]=4 151 B11R1.16 C#CCN(C)C1=CC=CC=C1 Z103708484 [0,1,0,0,0,0|0,0,2]=3 152 B11R1.16 C/C=C/C(=O)C1=CC=CC=C1 Z2259130553 [0,1,0,0,0,0|1,0,2]=4 153 B11R1.16 C=CCC(N)C1=CC=NC=C1 Z1268152401 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [0,1,0,0,0,0|1,0,2]=4 157 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [0,1,0,0,0,0|1,0,2]=4 158 B11R1.16 CN(CCN)C1=CC=CC=C1 Z154669318 [0,1,0,0,0,0|1,0,1]=3 159 B11R1.16 CN(CCN)C1=NC=CC=C1 Z3026268353 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.16 CN(CCO)C1=CC=CC=C1 Z138702688 [0,1,0,0,0,0|1,0,1]=3 161 B11R1.16 CN(CCO)C1=NC=CC=C1 Z54633859 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.16 CSCC(=O)C1=CC=CC=C1 Z732208586 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.16 N#CCC(=O)C1=CC=CC=C1 Z56899088 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.16 NCCS(=O)C1=CC=CC=C1 Z1266854955 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.16 O=C(CCCl)C1=CC=CC=C1 Z1065610596 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.16 O=S(CCCl)C1=CC=CC=C1 Z421771494 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.17 C#CCNC1=C(C=CC=C1)F Z267213460 [0,1,0,0,0,0|0,0,2]=3 176 B11R1.17 C#CCOC1=C(C=CC=C1)Cl Z54471915 [0,1,0,0,0,0|1,0,2]=4 177 B11R1.17 C#CCOC1=C(C=CC=C1)F Z54554294 [0,1,0,0,0,0|1,0,2]=4 178 B11R1.17 C#CCOC1=C(C=CC=C1)N Z730514548 [0,1,0,0,0,0|1,0,2]=4 179 B11R1.17 C#CCOC1=C(C=CC=C1)O Z381415368 [0,1,0,0,0,0|1,0,2]=4 180 B11R1.17 C=CCSC1=C(C=CC=C1)N Z89272864 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.17 CC1=C(C=CC=C1)CCCN Z424782962 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.17 CC1=C(C=CC=C1)CCCO Z979436644 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.17 CC1=C(C=CC=C1)OCC#N Z53791706 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.17 CC1=C(C=CC=C1)OCCN Z223656356 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.17 CC1=C(C=NC=C1)CCC=O Z1270653786 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.17 CCCNC1=C(C=CC=C1)F Z334942896 [0,1,0,0,0,0|0,0,2]=3 187 B11R1.17 CCCNC1=C(C=CC=C1)N Z94601320 [0,1,0,0,0,0|0,0,2]=3 188 B11R1.17 CCCOC1=C(C=CC=C1)Br Z54722000 [0,1,0,0,0,0|1,0,2]=4 189 B11R1.17 CCCOC1=C(C=CC=C1)N Z56968930 [0,1,0,0,0,0|1,0,2]=4 190 B11R1.17 CCCOC1=C(C=CC=C1)O Z55993120 [0,1,0,0,0,0|1,0,2]=4 191 B11R1.17 CNCCC1=C(C=CC=C1)C Z2234185664 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.17 CNCCC1=C(C=CC=C1)Cl Z4935566656 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.17 CNCCC1=C(C=CC=C1)F Z163192604 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.17 CNCCC1=C(C=CC=C1)O Z1665033474 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.17 COCCC1=C(C=CC=C1)N Z992259832 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.17 ClC1=C(C=CC=C1)OCCBr Z56886267 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.17 N#CCCC1=C(C=CC=C1)Br Z815260584 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.17 N#CCOC1=C(C=CC=C1)Br Z54684411 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.17 N#CCSC1=C(C=CC=C1)Br Z149386606 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.17 N#CCSC1=C(C=CC=C1)Cl Z18459623 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.17 N#CCSC1=C(C=CC=C1)F Z18098612 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.17 NC1=C(C=CC=C1)CCCO Z1198265858 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.17 NC1=C(C=CC=C1)NCCO Z55928991 [0,1,0,0,0,0|1,0,1]=3 204 B11R1.17 NC1=C(C=CC=C1)OCCO Z3445703033 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.17 NCCCC1=C(C=CC=C1)Cl Z1695729033 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.17 NCCCC1=C(C=CC=C1)F Z424783030 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.17 NCCNC1=C(C=CC=C1)N Z991530054 [0,1,0,0,0,0|1,0,1]=3 208 B11R1.17 NCCNC1=C(C=CC=N1)Br Z808603224 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.17 NCCOC1=C(C=CC=C1)Br Z803145324 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.17 NCCOC1=C(C=CC=C1)Cl Z54747867 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.17 NCCOC1=C(C=CC=C1)F Z1272739857 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.17 NCCOC1=C(C=CC=C1)O Z3217405430 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.17 NCCSC1=C(C=CC=C1)F Z57971449 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.17 NNCCC1=C(C=CC=C1)F Z285144176 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.17 O=CCCC1=C(C=CC=C1)F Z993017602 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.17 OCCCC1=C(C=CC=C1)Br Z992949552 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.17 OCCOC1=C(C=CC=C1)Br Z149303034 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.17 OCCOC1=C(C=CC=C1)F Z425795714 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.17 OCCOC1=C(C=CC=C1)O Z56755902 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.17 OCCSC1=C(C=CC=C1)Br Z149386602 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.17 OCCSC1=C(C=CC=C1)Cl Z149174540 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.24 BrCCOC1=CC(=CC=C1)Br Z56886268 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.24 C#CCNC1=CC=CC(=C1)F Z3210379881 [0,1,0,0,0,0|0,0,2]=3 224 B11R1.24 C#CCOC1=CC=CC(=C1)Br Z54473729 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.24 C#CCOC1=CC=CC(=C1)C Z54472997 [0,1,0,0,0,0|1,0,2]=4 226 B11R1.24 C#CCOC1=CC=CC(=C1)Cl Z54474446 [0,1,0,0,0,0|1,0,2]=4 227 B11R1.24 C#CCOC1=CC=CC(=C1)F Z54472195 [0,1,0,0,0,0|1,0,2]=4 228 B11R1.24 C#CCOC1=CC=CC(=C1)N Z730509748 [0,1,0,0,0,0|1,0,2]=4 229 B11R1.24 C#CCOC1=CC=CC(=C1)O Z381415784 [0,1,0,0,0,0|1,0,2]=4 230 B11R1.24 C=CCCC1=CC=CC(=C1)Br Z1269162615 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.24 C=CCOC1=CC=CC(=C1)N Z274779170 [0,1,0,0,0,0|1,0,0]=2 232 B11R1.24 CC1=CC(=CC=C1)CCCN Z4993130622 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.24 CC1=CC(=CC=C1)CCCO Z979436642 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.24 CC1=CC(=CC=C1)OCCBr Z56886266 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.24 CC1=CC(=CC=C1)OCCN Z85926240 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.24 CC1=CC(=CN=C1)CCC=O Z1492427371 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.24 CC1=CC(=NC=C1)NCCO Z1250080924 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.24 CC1=NC(=CC=C1)NCCN Z1267773738 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.24 CCCOC1=CC(=CC=C1)Br Z54848718 [0,1,0,0,0,0|1,0,2]=4 240 B11R1.24 CCCOC1=CC(=CC=C1)N Z239604770 [0,1,0,0,0,0|1,0,2]=4 241 B11R1.24 CCCOC1=CC(=CC=C1)O Z381415572 [0,1,0,0,0,0|1,0,2]=4 242 B11R1.24 CNCCC1=CC(=CC=C1)Br Z2168282744 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.24 CNCCC1=CC(=CC=C1)O Z4924737523 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.24 COCCC1=CC(=CC=C1)O Z1513911027 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.24 N#CCNC1=CC=CC(=C1)Cl Z266494142 [0,1,0,0,0,0|1,0,1]=3 246 B11R1.24 N#CCNC1=CC=CC(=C1)F Z266497222 [0,1,0,0,0,0|1,0,1]=3 247 B11R1.24 N#CCOC1=CC=CC(=C1)N Z285182504 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.24 N#CCOC1=CC=CC(=C1)O Z381415714 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.24 N#CCSC1=CC=CC(=C1)Br Z1020820468 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.24 NC1=CC(=CC=C1)CCCO Z1198265859 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.24 NC1=CC(=CC=C1)OCCF Z1262657442 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.24 NCCCC1=CC(=CC=C1)Br Z1266823414 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.24 NCCCC1=CC(=CC=C1)Cl Z1262246154 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.24 NCCCC1=CC(=CC=C1)F Z424782946 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.24 NCCCC1=CC(=CC=C1)O Z1895582955 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.24 NCCOC1=CC(=CC=C1)Br Z744843646 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.24 NCCOC1=CC(=CC=C1)Cl Z425484860 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.24 NCCOC1=CC(=CC=C1)F Z381785786 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.24 O=C/C=C/C1=CC=CC(=C1)F Z1198179803 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.24 O=CCCC1=CC=CC(=C1)Cl Z993017744 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.24 O=CCCC1=CC=CC(=C1)F Z993017622 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.24 O=CCCC1=CN=CC(=C1)F Z1233207916 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.24 OCCNC1=CC(=CC=C1)F Z335274246 [0,1,0,0,0,0|1,0,1]=3 264 B11R1.24 OCCOC1=CC(=CC=C1)Br Z335092356 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.24 OCCOC1=CC(=CC=C1)Cl Z149166432 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.28 BrCCCOC1=CC=CC=C1 Z90122132 [0,1,0,0,0,0|1,0,2]=4 267 B11R1.28 C#CCCOC1=CC=CC=C1 Z1143222703 [0,1,0,0,0,0|1,0,2]=4 268 B11R1.28 C#CCNCC1=CC=CC=C1 Z2082999436 [0,1,0,0,0,0|0,0,2]=3 269 B11R1.28 C#CCNCC1=CN=CC=C1 Z90560634 [0,1,0,0,0,0|1,0,2]=4 270 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [0,1,0,0,0,0|0,0,0]=1 271 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [0,1,0,0,0,0|1,0,2]=4 272 B11R1.28 CCCCNC1=CC=NC=C1 Z359299136 [0,1,0,0,0,0|1,0,2]=4 273 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [0,1,0,0,0,0|0,0,2]=3 274 B11R1.28 CCCNCC1=CC=NC=C1 Z3247723488 [0,1,0,0,0,0|1,0,2]=4 275 B11R1.28 CCCNCC1=CN=CC=C1 Z3247723489 [0,1,0,0,0,0|1,0,2]=4 276 B11R1.28 CCCNCC1=NC=CC=C1 Z4401052052 [0,1,0,0,0,0|1,0,2]=4 277 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [0,1,0,0,0,0|1,0,2]=4 278 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [0,1,0,0,0,0|1,0,2]=4 279 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.28 CNCCNC1=NC=CC=C1 Z3033960688 [0,1,0,0,0,0|1,0,2]=4 281 B11R1.28 CNCCOC1=CC=CC=C1 Z56945505 [0,1,0,0,0,0|1,0,2]=4 282 B11R1.28 COCCNC1=CC=CC=C1 Z266463556 [0,1,0,0,0,0|0,0,2]=3 283 B11R1.28 COCCNC1=CC=NC=C1 Z359297138 [0,1,0,0,0,0|1,0,2]=4 284 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [0,1,0,0,0,0|1,0,2]=4 285 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [0,1,0,0,0,0|1,0,1]=3 286 B11R1.28 N#CCCNC1=CC=CC=C1 Z56915949 [0,1,0,0,0,0|0,0,2]=3 287 B11R1.28 N#CCCOC1=CC=CC=C1 Z54337114 [0,1,0,0,0,0|1,0,2]=4 288 B11R1.28 N#CCNCC1=CC=CC=C1 Z266079624 [0,1,0,0,0,0|1,0,1]=3 289 B11R1.28 N#CCNCC1=NC=CC=C1 Z111725574 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.28 N#CCOCC1=CC=CC=C1 Z295205356 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.28 N#CCSCC1=CC=CC=C1 Z54337756 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [0,1,0,0,0,0|1,0,2]=4 293 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [0,1,0,0,0,0|0,0,2]=3 294 B11R1.28 NCCCNC1=CC=NC=C1 Z317257864 [0,1,0,0,0,0|1,0,2]=4 295 B11R1.28 NCCCNC1=NC=CC=C1 Z234895141 [0,1,0,0,0,0|1,0,2]=4 296 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [0,1,0,0,0,0|1,0,2]=4 297 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [0,1,0,0,0,0|1,0,2]=4 298 B11R1.28 NCCNCC1=NC=CC=C1 Z600492946 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [0,1,0,0,0,0|1,0,1]=3 301 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [0,1,0,0,0,0|0,0,2]=3 304 B11R1.28 OCCCNC1=CC=NC=C1 Z359301948 [0,1,0,0,0,0|1,0,2]=4 305 B11R1.28 OCCCNC1=NC=CC=C1 Z31220937 [0,1,0,0,0,0|1,0,2]=4 306 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [0,1,0,0,0,0|1,0,2]=4 307 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.28 S=C=NCCC1=CC=CC=C1 Z56924472 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [0,1,0,0,0,0|1,0,2]=4 311 B11R1.40 C/C(=C\C1=CC=CC=C1)/C=O Z3219847417 [0,1,0,0,0,0|2,0,1]=4 312 B11R1.40 C=CC(=O)NC1=CC=CC=C1 Z440633536 [0,1,0,0,0,0|0,0,1]=2 313 B11R1.40 C=CC(=O)NC1=CN=CC=C1 Z440633590 [0,1,0,0,0,0|1,0,1]=3 314 B11R1.40 C=CC(=O)NC1=NC=CC=C1 Z440633578 [0,1,0,0,0,0|1,0,1]=3 315 B11R1.40 C=CC(=O)NC1=NC=CC=N1 Z440634012 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.40 CC(C#N)OC1=CC=CC=C1 Z54191740 [0,1,0,0,0,0|2,0,1]=4 317 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [0,1,0,0,0,0|1,0,1]=3 320 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [0,1,0,0,0,0|1,0,2]=4 323 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [0,1,0,0,0,0|1,0,2]=4 324 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [0,1,0,0,0,0|1,0,2]=4 325 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [0,1,0,0,0,0|1,0,2]=4 326 B11R1.40 CNC(=O)NC1=CC=CC=C1 Z55293754 [0,1,0,0,0,0|1,0,2]=4 327 B11R1.40 CNC(=S)NC1=CC=CC=C1 Z45796176 [0,1,0,0,0,0|1,0,2]=4 328 B11R1.40 N=C(NN)NC1=CC=CC=C1 Z2768171754 [0,1,0,0,0,0|2,0,1]=4 329 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.40 NCC(=O)NC1=CC=CC=C1 Z594413794 [0,1,0,0,0,0|1,0,2]=4 331 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [0,1,0,0,0,0|2,0,1]=4 334 B11R1.40 NNC(=O)NC1=CC=CC=C1 Z56855648 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.40 NNC(=S)NC1=CC=CC=C1 Z56836896 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.40 O=C(CCl)NC1=CC=CC=C1 Z56889119 [0,1,0,0,0,0|1,0,2]=4 339 B11R1.40 O=C(CO)NC1=CC=CC=C1 Z228585444 [0,1,0,0,0,0|1,0,2]=4 340 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Br Z2312942099 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Cl Z104475950 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [0,1,0,0,0,0|1,0,2]=4 343 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [0,1,0,0,0,0|1,0,1]=3 344 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.91 CC(=O)NNC1=CC=CC=C1 Z27767717 [0,1,0,0,0,0|1,0,1]=3 346 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [0,1,0,0,0,0|2,0,1]=4 347 B11R1.91 CC(C)CNC1=CC=CC=C1 Z2092369729 [0,1,0,0,0,0|0,0,2]=3 348 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [0,1,0,0,0,0|1,0,2]=4 349 B11R1.91 CC(N)COC1=CC=CC=C1 Z600397650 [0,1,0,0,0,0|1,0,2]=4 350 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [0,1,0,0,0,0|0,0,2]=3 351 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [0,1,0,0,0,0|1,0,2]=4 353 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.91 N=C(N)CSC1=CC=CC=C1 Z1532718998 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.91 N=C(N)SCC1=CC=CC=C1 Z89242849 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [0,1,0,0,0,0|1,0,0]=2 360 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.91 NC(=O)COC1=CN=CC=C1 Z336080090 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.91 NC(=O)CSC1=CC=NC=C1 Z33546963 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [0,1,0,0,0,0|2,0,0]=3 367 B11R1.91 NC(=S)COC1=CC=CC=C1 Z108595128 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.91 NC(=S)NNC1=CC=CC=C1 Z104483868 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [0,1,0,0,0,0|1,0,0]=2 377 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.91 O=C(O)CNC1=NC=CC=N1 Z228588498 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.91 O=C([O-])COC1=NC=CC=C1 Z2989350877 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.91 O=[N+]([O-])CSC1=CC=CC=C1 Z1255375331 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [0,1,0,0,0,0|3,0,0]=4 390 B11R2.1 BrC1=CNC2=C1C=CC=N2 Z1665033561 [0,0,0,1,0,0|2,0,1]=4 391 B11R2.1 BrC1=CNC2=C1C=CN=C2 Z3302856393 [0,0,0,1,0,0|2,0,1]=4 392 B11R2.1 BrC1=NNC2=C1C=CC=C2 Z56791616 [0,0,0,1,0,0|2,0,0]=3 393 B11R2.1 CC1=C2C=CC=CC2=NN1 Z1258992514 [0,0,0,1,0,0|1,0,2]=4 394 B11R2.1 CC1=CNC2=C1C=CC=C2 Z415653134 [0,0,0,1,0,0|0,0,2]=3 395 B11R2.1 CC1=CNC2=C1N=CC=C2 Z1203733882 [0,0,0,1,0,0|1,0,2]=4 396 B11R2.1 CC1=COC2=C1C=CC=C2 Z1203161674 [0,0,0,1,0,0|1,0,2]=4 397 B11R2.1 CC1=NNC2=C1C=CC=N2 Z1198220784 [0,0,0,1,0,0|2,0,1]=4 398 B11R2.1 CC1=NNC2=C1C=NC=C2 Z1198341461 [0,0,0,1,0,0|2,0,1]=4 399 B11R2.1 CC1=NOC2=C1C=CC=C2 Z104341886 [0,0,0,1,0,0|2,0,1]=4 400 B11R2.1 CC1CNC2=C1C=CC=C2 Z415739264 [0,0,0,1,0,0|0,0,2]=3 401 B11R2.1 CC1CNC2=C1C=CN=C2 Z3400245703 [0,0,0,1,0,0|1,0,2]=4 402 B11R2.1 CC1CNC2=C1N=CC=C2 Z3464420345 [0,0,0,1,0,0|1,0,2]=4 403 B11R2.1 ClC1=C2C=CC=CC2=NN1 Z1695729006 [0,0,0,1,0,0|2,0,1]=4 404 B11R2.1 ClC1=C2C=CC=CC2=NS1 Z992921742 [0,0,0,1,0,0|2,0,1]=4 405 B11R2.1 ClC1=CNC2=C1C=CC=C2 Z1020823312 [0,0,0,1,0,0|1,0,1]=3 406 B11R2.1 ClC1=CNC2=C1C=CN=C2 Z1618035710 [0,0,0,1,0,0|2,0,1]=4 407 B11R2.1 ClC1=NSC2=C1C=CC=C2 Z57033963 [0,0,0,1,0,0|3,0,0]=4 408 B11R2.1 IC1=CNC2=C1C=CC=N2 Z1269158296 [0,0,0,1,0,0|2,0,1]=4 409 B11R2.1 IC1=CNC2=C1C=CN=C2 Z1269236830 [0,0,0,1,0,0|2,0,1]=4 410 B11R2.1 IC1=CNC2=C1C=NC=C2 Z1154254658 [0,0,0,1,0,0|2,0,1]=4 411 B11R2.1 IC1=CNC2=C1N=CC=C2 Z1269234225 [0,0,0,1,0,0|2,0,1]=4 412 B11R2.1 NC1=C2C=CC=CC2=NS1 Z1198161072 [0,0,0,1,0,0|2,0,1]=4 413 B11R2.1 NC1=NNC2=C1C=CC=C2 Z56820416 [0,0,0,1,0,0|2,0,0]=3 414 B11R2.1 NC1=NNC2=C1C=CN=C2 Z1203582635 [0,0,0,1,0,0|3,0,0]=4 415 B11R2.1 NC1=NNC2=C1N=CC=C2 Z1203639500 [0,0,0,1,0,0|3,0,0]=4 416 B11R2.1 NC1=NOC2=C1C=CC=C2 Z218760918 [0,0,0,1,0,0|3,0,0]=4 417 B11R2.1 NC1=NSC2=C1C=CC=C2 Z56774438 [0,0,0,1,0,0|3,0,0]=4 418 B11R2.1 NC1CCC2=C1C=CC=C2 Z168884748 [0,0,0,1,0,0|2,0,1]=4 419 B11R2.1 NC1CSC2=C1C=CC=C2 Z431544668 [0,0,0,1,0,0|2,0,1]=4 420 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 Z1741972748 [0,0,0,1,0,0|2,0,1]=4 421 B11R2.1 O=C1CCC2=C1C=CC=C2 Z104495974 [0,0,0,1,0,0|2,0,0]=3 422 B11R2.1 O=C1CCC2=C1C=NC=C2 Z1198181243 [0,0,0,1,0,0|3,0,0]=4 423 B11R2.1 O=C1COC2=C1C=CC=C2 Z57101103 [0,0,0,1,0,0|2,0,0]=3 424 B11R2.1 O=C1COC2=C1C=CN=C2 Z1255373514 [0,0,0,1,0,0|3,0,0]=4 425 B11R2.1 O=C1CSC2=C1C=CC=C2 Z1117911699 [0,0,0,1,0,0|2,0,0]=3 426 B11R2.1 O=C1NCC2=C1C=CC=C2 Z362519344 [0,0,0,1,0,0|3,0,0]=4 427 B11R2.1 O=C1NNC2=C1C=CC=C2 Z586248764 [0,0,0,1,0,0|2,0,0]=3 428 B11R2.1 O=C1NNC2=C1C=CC=N2 Z381404338 [0,0,0,1,0,0|3,0,0]=4 429 B11R2.1 O=C1NOC2=C1C=CC=C2 Z1592042113 [0,0,0,1,0,0|3,0,0]=4 430 B11R2.1 O=C1NSC2=C1C=CC=C2 Z56983154 [0,0,0,1,0,0|3,0,0]=4 431 B11R2.1 O=C1OCC2=C1C=CC=C2 Z211309000 [0,0,0,1,0,0|3,0,0]=4 432 B11R2.1 O=C1SNC2=C1C=CC=C2 Z992282928 [0,0,0,1,0,0|2,0,0]=3 433 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [0,0,0,1,0,0|2,0,1]=4 434 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [0,0,0,1,0,0|2,0,1]=4 435 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [0,0,0,1,0,0|2,0,1]=4 436 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [0,0,0,1,0,0|2,0,1]=4 437 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [0,0,0,1,0,0|2,0,1]=4 438 B11R2.20 C1=CC2=C(C=C1)C=CC=C2 Z104506008 [0,0,0,1,0,0|1,0,1]=3 439 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 Z104472854 [0,0,0,1,0,0|2,0,0]=3 440 B11R2.20 C1=CC2=C(C=C1)CCC=C2 Z237493310 [0,0,0,1,0,0|1,0,0]=2 441 B11R2.20 C1=CC2=C(C=C1)CNCC2 Z57834231 [0,0,0,1,0,0|2,0,1]=4 442 B11R2.20 C1=CC2=C(C=C1)COCC2 Z756090080 [0,0,0,1,0,0|2,0,1]=4 443 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 Z104472852 [0,0,0,1,0,0|0,0,2]=3 444 B11R2.20 C1=CC2=C(C=C1)N=CC=N2 Z104495568 [0,0,0,1,0,0|1,0,2]=4 445 B11R2.20 C1=CC2=C(C=C1)OCCC2 Z728136016 [0,0,0,1,0,0|1,0,2]=4 446 B11R2.20 C1=CC2=C(C=C1)OCCN2 Z228584850 [0,0,0,1,0,0|1,0,1]=3 447 B11R2.20 C1=CC2=C(C=C1)SCCN2 Z56943460 [0,0,0,1,0,0|1,0,1]=3 448 B11R2.20 C1=CC2=C(C=CC=N2)N=C1 Z212045452 [0,0,0,1,0,0|1,0,2]=4 449 B11R2.20 C1=CC2=C(C=CN=C2)N=C1 Z1201618481 [0,0,0,1,0,0|1,0,2]=4 450 B11R2.20 C1=CC2=C(C=N1)NCCC2 Z3243651200 [0,0,0,1,0,0|1,0,2]=4 451 B11R2.20 C1=CC2=C(C=N1)NCCN2 Z1203732990 [0,0,0,1,0,0|2,0,1]=4 452 B11R2.20 C1=CC2=C(C=N1)NCCO2 Z2217033032 [0,0,0,1,0,0|2,0,1]=4 453 B11R2.20 C1=CC2=C(C=NC=C2)N=C1 Z1198330965 [0,0,0,1,0,0|1,0,2]=4 454 B11R2.20 C1=CC2=C(CCCN2)N=C1 Z212053854 [0,0,0,1,0,0|1,0,2]=4 455 B11R2.20 C1=CC2=C(N=C1)N=CC=C2 Z1201618482 [0,0,0,1,0,0|1,0,2]=4 456 B11R2.20 C1=CC2=C(N=C1)NCCC2 Z1198176448 [0,0,0,1,0,0|1,0,2]=4 457 B11R2.20 C1=CC2=C(N=C1)NCCN2 Z1198175971 [0,0,0,1,0,0|2,0,1]=4 458 B11R2.20 C1=CC2=C(N=C1)OCCN2 Z1201624799 [0,0,0,1,0,0|2,0,1]=4 459 B11R2.20 C1=CC2=CN=CC=C2C=N1 Z1255356832 [0,0,0,1,0,0|3,0,0]=4 460 B11R2.238 C1=CC(=CN=C1)NC2CC2 Z1203747527 [0,0,0,1,0,0|1,0,2]=4 461 B11R2.238 C1=CC=C(C=C1)CC2CO2 Z1020680006 [0,0,0,1,0,0|2,0,1]=4 462 B11R2.238 C1=CC=C(C=C1)C[C@@H]2CO2 Z1617991494 [0,0,0,1,0,0|2,0,1]=4 463 B11R2.238 C1=CC=C(C=C1)C[C@H]2CO2 Z2216712384 [0,0,0,1,0,0|2,0,1]=4 464 B11R2.238 C1=CC=C(C=C1)NC2CC2 Z1203731288 [0,0,0,1,0,0|0,0,2]=3 465 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [0,0,0,1,0,0|2,0,1]=4 466 B11R2.988 NCC1CC2=C1C=CC=C2 Z234895091 [0,0,0,1,0,0|2,0,1]=4 467 B9R1.12 O=CCCC1=CSC=C1 Z993017658 [0,0,0,0,1,0|3,0,0]=4 468 B8R1.2 C=CC1=CC=CC=C1 Z104474664 [2,0,0,0,0,0|0,0,0]=2 469 B8R1.2 C=CC1=NC=CC=C1 Z104495554 [2,0,0,0,0,0|1,0,0]=3 470 B8R1.2 CCC1=CC=CC=C1 Z104473632 [2,0,0,0,0,0|0,0,1]=3 471 B8R1.2 CCC1=CC=NC=C1 Z1251171246 [2,0,0,0,0,0|1,0,1]=4 472 B8R1.2 CCC1=CN=CC=C1 Z104476778 [2,0,0,0,0,0|1,0,1]=4 473 B8R1.2 CCC1=NC=CC=C1 Z113558650 [2,0,0,0,0,0|1,0,1]=4 474 B8R1.2 CNC1=CC=CC=C1 Z104472478 [2,0,0,0,0,0|0,0,0]=2 475 B8R1.2 CNC1=CN=CC=C1 Z1082871080 [2,0,0,0,0,0|1,0,0]=3 476 B8R1.2 CNC1=NC=CC=N1 Z54628578 [2,0,0,0,0,0|2,0,0]=4 477 B8R1.2 CNC1=NC=NC=C1 Z800212728 [2,0,0,0,0,0|2,0,0]=4 478 B8R1.2 CNC1=NN=CC=C1 Z991530894 [2,0,0,0,0,0|2,0,0]=4 479 B8R1.2 COC1=CC=CC=C1 Z53833865 [2,0,0,0,0,0|1,0,0]=3 480 B8R1.2 CSC1=CC=NC=C1 Z1376456468 [2,0,0,0,0,0|2,0,0]=4 481 B8R1.2 Cl[Se]C1=CC=CC=C1 Z1255485131 [2,0,0,0,0,0|2,0,0]=4 482 B8R1.2 N#CC1=CC=CC=C1 Z104473628 [2,0,0,0,0,0|1,0,1]=4 483 B8R1.2 NCC1=CC=CC=C1 Z54748260 [2,0,0,0,0,0|1,0,0]=3 484 B8R1.2 NCC1=CC=NC=C1 Z104474354 [2,0,0,0,0,0|2,0,0]=4 485 B8R1.2 NCC1=CN=CC=C1 Z104474366 [2,0,0,0,0,0|2,0,0]=4 486 B8R1.2 NCC1=NC=CC=C1 Z104474352 [2,0,0,0,0,0|2,0,0]=4 487 B8R1.2 NNC1=CC=CC=C1 Z104472442 [2,0,0,0,0,0|1,0,0]=3 488 B8R1.2 NNC1=NC=CC=C1 Z56887722 [2,0,0,0,0,0|2,0,0]=4 489 B8R1.2 O=CC1=CC=NC=C1 Z57161993 [2,0,0,0,0,0|2,0,0]=4 490 B8R1.2 O=CC1=CN=CC=C1 Z104472124 [2,0,0,0,0,0|2,0,0]=4 491 B8R1.2 O=CC1=NC=CC=C1 Z104472152 [2,0,0,0,0,0|2,0,0]=4 492 B8R1.2 OCC1=CC=CC=C1 Z104476418 [2,0,0,0,0,0|1,0,0]=3 493 B8R1.2 OCC1=CC=NC=C1 Z335244866 [2,0,0,0,0,0|2,0,0]=4 494 B8R1.2 OCC1=CN=CC=C1 Z104495622 [2,0,0,0,0,0|2,0,0]=4 495 B8R1.2 OCC1=NC=CC=C1 Z57921252 [2,0,0,0,0,0|2,0,0]=4 496 B10R1.1 CC1=CC=C(C=C1)CC#N Z285131444 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [1,1,0,0,0,0|0,0,2]=4 501 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [1,1,0,0,0,0|0,0,2]=4 502 B10R1.1 CCNC1=CC=C(C=C1)Br Z286365048 [1,1,0,0,0,0|0,0,1]=3 503 B10R1.1 CCNC1=CC=C(C=C1)Cl Z2902298062 [1,1,0,0,0,0|0,0,1]=3 504 B10R1.1 CCNC1=CC=C(C=C1)F Z89270849 [1,1,0,0,0,0|0,0,1]=3 505 B10R1.1 CCNC1=CC=C(C=C1)N Z359511474 [1,1,0,0,0,0|0,0,1]=3 506 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [1,1,0,0,0,0|0,0,1]=3 507 B10R1.1 CCNC1=CNC(=O)C=C1 Z5871830340 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.1 CCNC1=NC=C(C=C1)Br Z359297778 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.1 CCNC1=NC=C(C=C1)I Z2233927789 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.1 CCOC1=CC=C(C=C1)N Z57127438 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.1 CCOC1=CC=C(C=C1)S Z166646982 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.1 CNCC1=CC=C(C=C1)Br Z56175269 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [1,1,0,0,0,0|1,0,1]=4 515 B10R1.1 CNCC1=CC=C(C=C1)Cl Z56956070 [1,1,0,0,0,0|1,0,1]=4 516 B10R1.1 CNCC1=CC=C(C=C1)F Z56963340 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.1 CNCC1=CC=C(C=C1)I Z4242747560 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.1 CSCC1=CC=C(C=C1)Br Z19854469 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.1 N#CCC1=CC=C(C=C1)F Z89283961 [1,1,0,0,0,0|1,0,1]=4 522 B10R1.1 N#CCC1=CC=C(C=C1)N Z90122117 [1,1,0,0,0,0|1,0,1]=4 523 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [1,1,0,0,0,0|1,0,1]=4 524 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [1,1,0,0,0,0|1,0,1]=4 526 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [1,1,0,0,0,0|1,0,1]=4 528 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [1,1,0,0,0,0|1,0,1]=4 529 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.1 NOCC1=CC=C(C=C1)Cl Z1198164677 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.1 O=CCC1=CC=C(C=C1)Br Z1079442512 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.1 O=CCC1=CC=C(C=C1)Cl Z993017718 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.1 O=CCC1=CC=C(C=C1)F Z993017752 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.1 O=CNC1=CC=C(C=C1)O Z87002541 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [1,1,0,0,0,0|1,0,1]=4 536 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [1,1,0,0,0,0|1,0,1]=4 537 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [1,1,0,0,0,0|1,0,1]=4 538 B10R1.4 C=CCC1=C(C=CC=C1)O Z104493210 [1,1,0,0,0,0|0,0,0]=2 539 B10R1.4 CC1=C(C=CC=C1)CC#N Z57039593 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.4 CC1=C(C=CC=C1)CC=O Z993017618 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.4 CC1=C(C=CC=C1)CNN Z336481586 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.4 CCCC1=C(C=CC=C1)Br Z1479686725 [1,1,0,0,0,0|0,0,2]=4 543 B10R1.4 CCCC1=C(C=CC=C1)I Z821158622 [1,1,0,0,0,0|0,0,2]=4 544 B10R1.4 CCCC1=C(C=CC=C1)N Z336087926 [1,1,0,0,0,0|0,0,2]=4 545 B10R1.4 CCNC1=C(C=CC=C1)C Z104477886 [1,1,0,0,0,0|0,0,1]=3 546 B10R1.4 CCNC1=C(C=CC=C1)F Z286518592 [1,1,0,0,0,0|0,0,1]=3 547 B10R1.4 CCNC1=C(C=CC=C1)I Z4405452872 [1,1,0,0,0,0|0,0,1]=3 548 B10R1.4 CCNC1=C(C=CC=C1)N Z359511482 [1,1,0,0,0,0|0,0,1]=3 549 B10R1.4 CCNC1=C(C=CC=C1)O Z5185414820 [1,1,0,0,0,0|0,0,1]=3 550 B10R1.4 CCNC1=C(C=CC=N1)C Z968907586 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.4 CCNC1=C(C=CC=N1)N Z803145254 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.4 CCNC1=C(C=CN=C1)C Z1946684572 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.4 CCNC1=C(C=NC=C1)N Z359511456 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.4 CCOC1=C(C=CC=C1)Br Z153728256 [1,1,0,0,0,0|1,0,1]=4 555 B10R1.4 CCOC1=C(C=CC=C1)I Z406416174 [1,1,0,0,0,0|1,0,1]=4 556 B10R1.4 CCOC1=C(C=CC=C1)N Z104478442 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.4 CCOC1=C(C=CC=C1)O Z104480244 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.4 CCSC1=C(C=CC=C1)Br Z149386616 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.4 CCSC1=C(C=CC=C1)N Z316174690 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.4 CCSC1=C(C=CC=C1)O Z905204460 [1,1,0,0,0,0|1,0,1]=4 561 B10R1.4 CNCC1=C(C=CC=C1)C Z56948272 [1,1,0,0,0,0|1,0,1]=4 562 B10R1.4 CNCC1=C(C=CC=C1)Cl Z56955956 [1,1,0,0,0,0|1,0,1]=4 563 B10R1.4 CNCC1=C(C=CC=C1)F Z56953087 [1,1,0,0,0,0|1,0,1]=4 564 B10R1.4 CNCC1=C(C=CC=C1)N Z764242576 [1,1,0,0,0,0|1,0,1]=4 565 B10R1.4 CNCC1=C(C=CC=C1)O Z398513608 [1,1,0,0,0,0|1,0,1]=4 566 B10R1.4 COCC1=C(C=CC=C1)I Z821093342 [1,1,0,0,0,0|1,0,1]=4 567 B10R1.4 COCC1=C(C=CC=C1)O Z821093528 [1,1,0,0,0,0|1,0,1]=4 568 B10R1.4 CSCC1=C(C=CC=C1)N Z732207148 [1,1,0,0,0,0|1,0,1]=4 569 B10R1.4 N#CCC1=C(C=CC=C1)Cl Z56904744 [1,1,0,0,0,0|1,0,1]=4 570 B10R1.4 N#CCC1=C(C=CC=C1)F Z104477228 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.4 N#CNC1=C(C=CC=C1)Cl Z991532350 [1,1,0,0,0,0|1,0,1]=4 572 B10R1.4 NC1=C(C=CC=C1)CCO Z3417485770 [1,1,0,0,0,0|1,0,1]=4 573 B10R1.4 NCCC1=C(C=CC=C1)Br Z295382782 [1,1,0,0,0,0|1,0,1]=4 574 B10R1.4 NCCC1=C(C=CC=C1)Cl Z285143744 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.4 NCCC1=C(C=CC=C1)F Z57051087 [1,1,0,0,0,0|1,0,1]=4 576 B10R1.4 NCCC1=C(C=CC=C1)O Z594038184 [1,1,0,0,0,0|1,0,1]=4 577 B10R1.4 O=CCC1=C(C=CC=C1)Br Z1183459130 [1,1,0,0,0,0|1,0,0]=3 578 B10R1.4 O=CCC1=C(C=CC=C1)F Z993017796 [1,1,0,0,0,0|1,0,0]=3 579 B10R1.4 OCCC1=C(C=CC=C1)Br Z1183459188 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.4 OCCC1=C(C=CC=C1)F Z397587382 [1,1,0,0,0,0|1,0,1]=4 581 B10R1.10 C=COC1=CC=CC(=C1)C Z1269547004 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.10 CC1=CC(=CC=C1)CC#N Z285131450 [1,1,0,0,0,0|1,0,1]=4 583 B10R1.10 CC1=CC(=CC=C1)CCN Z241056516 [1,1,0,0,0,0|1,0,1]=4 584 B10R1.10 CCCC1=CC(=CC=C1)Br Z1541586975 [1,1,0,0,0,0|0,0,2]=4 585 B10R1.10 CCNC1=CC(=CC=C1)Br Z1217910559 [1,1,0,0,0,0|0,0,1]=3 586 B10R1.10 CCNC1=CC(=CC=C1)C Z56785946 [1,1,0,0,0,0|0,0,1]=3 587 B10R1.10 CCNC1=CC(=CC=C1)Cl Z286371690 [1,1,0,0,0,0|0,0,1]=3 588 B10R1.10 CCNC1=CC(=NC=C1)Cl Z979422192 [1,1,0,0,0,0|1,0,1]=4 589 B10R1.10 CCOC1=CC(=CC=C1)Br Z53833934 [1,1,0,0,0,0|1,0,1]=4 590 B10R1.10 CCOC1=CC(=CC=C1)I Z54181578 [1,1,0,0,0,0|1,0,1]=4 591 B10R1.10 CCSC1=CC(=CC=C1)Br Z1090207966 [1,1,0,0,0,0|1,0,1]=4 592 B10R1.10 CCSC1=CC(=CC=C1)N Z600393424 [1,1,0,0,0,0|1,0,1]=4 593 B10R1.10 CNCC1=CC(=CC=C1)C Z102766992 [1,1,0,0,0,0|1,0,1]=4 594 B10R1.10 CNCC1=CC(=CC=C1)Cl Z56963343 [1,1,0,0,0,0|1,0,1]=4 595 B10R1.10 CNCC1=CC(=CC=C1)F Z56946085 [1,1,0,0,0,0|1,0,1]=4 596 B10R1.10 CNCC1=CC(=CC=C1)I Z3302798080 [1,1,0,0,0,0|1,0,1]=4 597 B10R1.10 CNCC1=CC(=CC=C1)O Z102766970 [1,1,0,0,0,0|1,0,1]=4 598 B10R1.10 COCC1=CC(=CC=C1)N Z285163816 [1,1,0,0,0,0|1,0,1]=4 599 B10R1.10 COCC1=CC(=CC=C1)O Z821093526 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.10 CSCC1=CC(=CC=C1)Br Z17129082 [1,1,0,0,0,0|1,0,1]=4 601 B10R1.10 CSCC1=CC(=CC=C1)N Z732207152 [1,1,0,0,0,0|1,0,1]=4 602 B10R1.10 N#CCC1=CC=CC(=C1)Cl Z57039594 [1,1,0,0,0,0|1,0,1]=4 603 B10R1.10 N#CCC1=CC=CC(=C1)F Z104477994 [1,1,0,0,0,0|1,0,1]=4 604 B10R1.10 N#CCC1=CC=CC(=C1)N Z90120426 [1,1,0,0,0,0|1,0,1]=4 605 B10R1.10 N#CCC1=CC=CC(=C1)O Z1198161712 [1,1,0,0,0,0|1,0,1]=4 606 B10R1.10 N#CNC1=CC=CC(=C1)Cl Z991532332 [1,1,0,0,0,0|1,0,1]=4 607 B10R1.10 NC1=CC(=CC=C1)CCO Z1198160776 [1,1,0,0,0,0|1,0,1]=4 608 B10R1.10 NC1=CC(=CC=C1)NC=O Z1203578959 [1,1,0,0,0,0|1,0,0]=3 609 B10R1.10 NCCC1=CC(=CC=C1)Br Z285143760 [1,1,0,0,0,0|1,0,1]=4 610 B10R1.10 NCCC1=CC(=CC=C1)Cl Z57051063 [1,1,0,0,0,0|1,0,1]=4 611 B10R1.10 NCCC1=CC(=CC=C1)F Z96092963 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.10 NCCC1=CC(=CC=C1)I Z4874662549 [1,1,0,0,0,0|1,0,1]=4 613 B10R1.10 NCCC1=CC(=CC=C1)O Z935140764 [1,1,0,0,0,0|1,0,1]=4 614 B10R1.10 NOCC1=CC(=CC=C1)Cl Z1198339567 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.10 O=CCC1=CC=CC(=C1)Br Z1079442816 [1,1,0,0,0,0|1,0,0]=3 616 B10R1.10 O=CCC1=CC=CC(=C1)Cl Z993017836 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.10 O=CNC1=CC=CC(=C1)O Z56886391 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.10 OCCC1=CC(=CC=C1)Cl Z992289382 [1,1,0,0,0,0|1,0,1]=4 619 B10R1.10 OCCC1=CC(=CC=C1)F Z397587224 [1,1,0,0,0,0|1,0,1]=4 620 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [1,1,0,0,0,0|0,0,0]=2 622 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [1,1,0,0,0,0|1,0,1]=4 624 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [1,1,0,0,0,0|1,0,1]=4 625 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [1,1,0,0,0,0|0,0,2]=4 626 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [1,1,0,0,0,0|0,0,2]=4 627 B10R1.15 CN(N=O)C1=CC=CC=C1 Z87001980 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [1,1,0,0,0,0|1,0,1]=4 629 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [1,1,0,0,0,0|1,0,1]=4 630 B10R1.15 N#CC(Br)C1=CC=CC=C1 Z1198157485 [1,1,0,0,0,0|1,0,1]=4 631 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [1,1,0,0,0,0|1,0,1]=4 632 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [1,1,0,0,0,0|1,0,1]=4 634 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [1,1,0,0,0,0|1,0,1]=4 635 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [1,1,0,0,0,0|1,0,1]=4 636 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [1,1,0,0,0,0|1,0,1]=4 637 B10R1.15 O=C(CCl)C1=CC=CC=C1 Z57834468 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.15 O=C(CO)C1=CC=CC=C1 Z906206792 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.15 O=CC(=O)C1=CC=CC=C1 Z1954804411 [1,1,0,0,0,0|1,0,1]=4 640 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [1,1,0,0,0,0|1,0,1]=4 641 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [1,1,0,0,0,0|0,0,1]=3 642 B10R1.18 CC(=O)NC1=CN=CC=C1 Z31791378 [1,1,0,0,0,0|1,0,1]=4 643 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [1,1,0,0,0,0|0,0,2]=4 644 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [1,1,0,0,0,0|0,0,1]=3 645 B10R1.18 CC(C)NC1=CN=CC=C1 Z334882282 [1,1,0,0,0,0|1,0,1]=4 646 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [1,1,0,0,0,0|1,0,1]=4 647 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [1,1,0,0,0,0|0,0,2]=4 648 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.18 N=C(N)CC1=CC=NC=C1 Z2441004470 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.18 N=C(N)CC1=CN=CC=C1 Z2350941593 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [1,1,0,0,0,0|1,0,0]=3 652 B10R1.18 NC(=O)CC1=CC=NC=C1 Z234895093 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.18 NC(=O)NC1=NC=CC=C1 Z208358454 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.18 NC(=S)NC1=CC=CC=C1 Z57474172 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.18 NC(=S)NC1=NC=CC=C1 Z57106231 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.18 O=C(O)CC1=CC=NC=C1 Z271099418 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.21 C=CCNCC1=CC=CS1 Z85934854 [0,1,0,0,1,0|1,0,0]=3 664 B12R1.1 C#CCNCC1=CC=C(C=C1)C Z857666950 [0,2,0,0,0,0|0,0,2]=4 665 B12R1.1 C#CCNCC1=CC=C(C=C1)F Z951367660 [0,2,0,0,0,0|0,0,2]=4 666 B12R1.1 CC1=CC=C(C=C1)CNCCO Z57328136 [0,2,0,0,0,0|1,0,1]=4 667 B12R1.1 CC1=CC=C(C=C1)NCCC#N Z56887629 [0,2,0,0,0,0|0,0,2]=4 668 B12R1.1 CCCNCC1=CC=C(C=C1)F Z57065603 [0,2,0,0,0,0|0,0,2]=4 669 B12R1.1 COCCNC1=CC=C(C=C1)N Z812516870 [0,2,0,0,0,0|0,0,2]=4 670 B12R1.1 N#CCCNC1=CC=C(C=C1)Br Z56855204 [0,2,0,0,0,0|0,0,2]=4 671 B12R1.1 N#CCCNC1=CC=C(C=C1)Cl Z56938006 [0,2,0,0,0,0|0,0,2]=4 672 B12R1.1 N#CCCNC1=CC=C(C=C1)F Z56813500 [0,2,0,0,0,0|0,0,2]=4 673 B12R1.1 OC1=CC=C(C=C1)SC/C=C/Cl Z733876456 [0,2,0,0,0,0|1,0,0]=3 674 B12R1.1 OCCCNC1=CC=C(C=C1)Cl Z104647680 [0,2,0,0,0,0|0,0,2]=4 675 B12R1.1 OCCNCC1=CC=C(C=C1)F Z3225797537 [0,2,0,0,0,0|1,0,1]=4 676 B12R1.16 C=CCC(=O)C1=CC=C(C=C1)F Z808661950 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.16 CN(CC#N)C1=CC=C(C=C1)F Z645126996 [0,2,0,0,0,0|1,0,1]=4 678 B12R1.16 CN(CCO)C1=CC=C(C=C1)F Z905079510 [0,2,0,0,0,0|1,0,1]=4 679 B12R1.16 CN(CCO)C1=CC=C(C=C1)N Z359383966 [0,2,0,0,0,0|1,0,1]=4 680 B12R1.21 C=C(Br)CNC1=NC=C(C=N1)Cl Z1333160370 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [0,2,0,0,0,0|1,0,1]=4 682 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [0,2,0,0,0,0|1,0,1]=4 683 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [0,2,0,0,0,0|1,0,1]=4 684 B12R1.21 CC(=O)NNC1=CC=C(C=C1)F Z30877183 [0,2,0,0,0,0|1,0,1]=4 685 B12R1.21 CC(C)CNC1=CC=C(C=C1)Cl Z1695729058 [0,2,0,0,0,0|0,0,2]=4 686 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.21 CC1=CC=C(C=C1)NCC(C)C Z334955606 [0,2,0,0,0,0|0,0,2]=4 689 B12R1.21 CC1=CC=C(C=C1)OCC(=O)N Z19732046 [0,2,0,0,0,0|2,0,0]=4 690 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [0,2,0,0,0,0|2,0,0]=4 691 B12R1.21 CC1=CC=C(C=C1)OCC(=S)N Z295396970 [0,2,0,0,0,0|2,0,0]=4 692 B12R1.21 CC1=CC=C(C=C1)SCC(=O)N Z18770000 [0,2,0,0,0,0|2,0,0]=4 693 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [0,2,0,0,0,0|2,0,0]=4 694 B12R1.21 FC1=CC=C(C=C1)NCC(F)F Z608352362 [0,2,0,0,0,0|1,0,1]=4 695 B12R1.21 NC(=O)CCC1=CC=C(C=C1)F Z87614992 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.21 NC(=O)CCC1=CC=C(C=C1)N Z414316852 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Br Z104586672 [0,2,0,0,0,0|1,0,0]=3 698 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Cl Z104647358 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.21 NC(=O)CNC1=CC=C(C=C1)I Z104728120 [0,2,0,0,0,0|1,0,0]=3 700 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br Z19725712 [0,2,0,0,0,0|2,0,0]=4 701 B12R1.21 NC(=O)COC1=CC=C(C=C1)F Z19734788 [0,2,0,0,0,0|2,0,0]=4 702 B12R1.21 NC(=O)COC1=CC=C(C=C1)I Z25086979 [0,2,0,0,0,0|2,0,0]=4 703 B12R1.21 NC(=O)COC1=CC=C(C=C1)N Z239127428 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Br Z18744574 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.21 NC(=O)CSC1=CC=C(C=C1)F Z16034821 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.21 NC(=S)COC1=CC=C(C=C1)Cl Z295395122 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.21 NC1=CC=C(C=C1)OCC(=O)O Z3241275736 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [0,2,0,0,0,0|2,0,0]=4 711 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Br Z274534708 [0,2,0,0,0,0|1,0,0]=3 715 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br Z56812736 [0,2,0,0,0,0|2,0,0]=4 718 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl Z57181989 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.21 O=C(O)COC1=CC=C(C=C1)F Z56978034 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.21 O=C(O)COC1=CC=C(C=C1)I Z56943814 [0,2,0,0,0,0|2,0,0]=4 721 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Br Z55903477 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Cl Z55179956 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.21 O=C(O)CSC1=CC=C(C=C1)F Z55903650 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)Br Z381016676 [0,2,0,0,0,0|0,0,1]=3 727 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)C Z440633654 [0,2,0,0,0,0|0,0,1]=3 728 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)Cl Z440633664 [0,2,0,0,0,0|0,0,1]=3 729 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)F Z424770410 [0,2,0,0,0,0|0,0,1]=3 730 B12R1.49 C=CC(=O)NC1=NC=C(C=C1)C Z440634044 [0,2,0,0,0,0|1,0,1]=4 731 B12R1.49 CC1=CC=C(C=C1)CC(Cl)C=O Z982126370 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.69 C=CCOC1=C(C=C(C=C1)Br)N Z1263545294 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.69 CC1=C(C=CC(=C1)I)NCCO Z1381509892 [0,2,0,0,0,0|1,0,1]=4 734 B12R1.69 CCCNC1=C(C=C(C=C1)Br)Cl Z2943872485 [0,2,0,0,0,0|0,0,2]=4 735 B12R1.69 CCCNC1=C(C=C(C=C1)Cl)N Z359511154 [0,2,0,0,0,0|0,0,2]=4 736 B12R1.69 O=CCCC1=C(C=C(C=C1)Cl)Cl Z993017674 [0,2,0,0,0,0|2,0,0]=4 737 B12R1.69 O=CCCC1=C(C=C(C=C1)F)F Z993017790 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.69 OCCNC1=C(C=C(C=C1)F)F Z335277958 [0,2,0,0,0,0|1,0,1]=4 739 B12R1.71 C#CCNC1=CC=C(C=C1)OC Z266490072 [0,2,0,0,0,0|0,0,2]=4 740 B12R1.71 C=CCOC1=CC=C(C=C1)C=O Z54337085 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.71 C=CCOC1=CC=C(C=C1)CO Z54636167 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.71 CCC1=CC=C(C=C1)CCC=O Z993017820 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.71 CCCNC1=CC=C(C=C1)CC Z334948098 [0,2,0,0,0,0|0,0,2]=4 744 B12R1.71 COC1=CC=C(C=C1)CCC=O Z1079442590 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.71 COC1=CC=C(C=C1)NCC#N Z266491018 [0,2,0,0,0,0|1,0,1]=4 746 B12R1.71 COC1=CC=C(C=C1)SCC=O Z854102788 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.71 N#CC1=CC=C(C=C1)CCC=O Z1198182710 [0,2,0,0,0,0|2,0,0]=4 748 B12R1.71 N#CC1=CC=C(C=C1)NCCO Z196118762 [0,2,0,0,0,0|1,0,1]=4 749 B12R1.385 CCCNC1=CC(=C(C=C1)C)C Z3179194889 [0,2,0,0,0,0|0,0,2]=4 750 B12R1.385 CCCNC1=CC(=C(C=C1)C)Cl Z3178892110 [0,2,0,0,0,0|0,0,2]=4 751 B12R1.385 CCCNC1=CC(=C(C=C1)Cl)C Z3178893817 [0,2,0,0,0,0|0,0,2]=4 752 B12R1.385 CCCNC1=CC(=C(C=C1)Cl)Cl Z3006084945 [0,2,0,0,0,0|0,0,2]=4 753 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)Cl Z993017630 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)F Z1198182696 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.385 O=CCCC1=CC(=C(C=C1)F)F Z1198182685 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.385 OCCNC1=CC(=C(C=C1)F)F Z335273086 [0,2,0,0,0,0|1,0,1]=4 757 B12R1.3 C=CCC(C=O)C1=CC=CC=C1 Z1416169093 [0,2,0,0,0,0|1,0,0]=3 758 B12R1.3 CCN(CCF)C1=CC=CC=C1 Z3886028878 [0,2,0,0,0,0|1,0,1]=4 759 B12R1.3 CCN(CCO)C1=CC=CC=C1 Z56922120 [0,2,0,0,0,0|1,0,1]=4 760 B12R1.30 C#CCNC(=O)C1=CC=CC=C1 Z52404005 [0,2,0,0,0,0|0,0,2]=4 761 B12R1.30 C=CCCC(=O)C1=CC=CC=C1 Z406376458 [0,2,0,0,0,0|1,0,0]=3 762 B12R1.30 C=CCCC(N)C1=CC=CC=C1 Z1219748388 [0,2,0,0,0,0|1,0,0]=3 763 B12R1.30 C=CCNC(=O)C1=CC=NC=C1 Z32064550 [0,2,0,0,0,0|1,0,0]=3 764 B12R1.30 CCCNC(C)C1=CC=CC=C1 Z57397067 [0,2,0,0,0,0|0,0,2]=4 765 B12R1.30 CN(CCCO)C1=CC=CC=C1 Z104585644 [0,2,0,0,0,0|0,0,2]=4 766 B12R1.30 CNCCN(C)C1=CC=CC=C1 Z335286914 [0,2,0,0,0,0|0,0,2]=4 767 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 Z1079131628 [0,2,0,0,0,0|1,0,1]=4 768 B12R1.30 NCCNC(=O)C1=CC=CC=C1 Z235363051 [0,2,0,0,0,0|1,0,1]=4 769 B12R1.30 O=C(NCCO)C1=CC=CC=C1 Z31725250 [0,2,0,0,0,0|1,0,1]=4 770 B12R1.34 C=CC(=O)N(C)C1=CC=CC=C1 Z440633576 [0,2,0,0,0,0|0,0,1]=3 771 B12R1.34 CC(CN)N(C)C1=CC=CC=C1 Z228572562 [0,2,0,0,0,0|1,0,1]=4 772 B12R1.107 C=C(C)CC(N)C1=CC=CC=C1 Z4497189696 [0,2,0,0,0,0|1,0,0]=3 773 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.107 CC(N)CN(C)C1=CC=CC=C1 Z815264124 [0,2,0,0,0,0|0,0,2]=4 776 B12R1.107 CN(CC(=O)N)C1=CC=CC=C1 Z54747686 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.107 CN(CC(=O)O)C1=CC=NC=C1 Z317257814 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [0,2,0,0,0,0|2,0,0]=4 783 B12R1.308 C=CCC(=O)C1=C(C=CC=C1)F Z1082405332 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.308 CCCN(C)C1=C(C=CC=C1)N Z409202040 [0,2,0,0,0,0|0,0,2]=4 785 B12R1.25 OCCNC1=C(C(=CC=C1)Cl)Br Z1837227787 [0,2,0,0,0,0|1,0,1]=4 786 B12R1.121 C=CCCC1=C(C=CC=C1)C=O Z1511744014 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.121 C=CCOC1=C(C=CC=C1)C=O Z54337089 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.121 C=CCOC1=C(C=CC=C1)CN Z446020710 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.121 COC1=C(C=CC=C1)CCC=O Z993017838 [0,2,0,0,0,0|2,0,0]=4 790 B12R1.121 COC1=C(C=CC=C1)NCCO Z335255666 [0,2,0,0,0,0|1,0,1]=4 791 B12R1.125 C=C(C)CNC1=C(C=CC=C1)Br Z297649770 [0,2,0,0,0,0|0,0,0]=2 792 B12R1.125 CC(=O)CCC1=C(C=CC=C1)F Z406376954 [0,2,0,0,0,0|1,0,1]=4 793 B12R1.125 CC(C)CNC1=C(C=CC=C1)Cl Z334941038 [0,2,0,0,0,0|0,0,2]=4 794 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O Z317037960 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.125 CC1=C(C=CC=C1)NCC(=O)N Z104590676 [0,2,0,0,0,0|1,0,0]=3 796 B12R1.125 CC1=C(C=CC=C1)OCC(=N)N Z823287452 [0,2,0,0,0,0|2,0,0]=4 797 B12R1.125 CC1=C(C=CC=C1)OCC(=O)N Z19733874 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O Z56820406 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.125 CC1=C(C=CC=C1)SCC(=O)O Z56870728 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.125 FC1=C(C=CC=C1)NCC(F)F Z608352370 [0,2,0,0,0,0|1,0,1]=4 801 B12R1.125 NC(=O)CCC1=C(C=CC=C1)Br Z741559968 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N Z414316848 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.125 NC(=O)CCC1=C(C=CC=C1)O Z371352778 [0,2,0,0,0,0|2,0,0]=4 804 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Br Z137588472 [0,2,0,0,0,0|1,0,0]=3 805 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Cl Z104528166 [0,2,0,0,0,0|1,0,0]=3 806 B12R1.125 NC(=O)CNC1=C(C=CC=C1)I Z133437412 [0,2,0,0,0,0|1,0,0]=3 807 B12R1.125 NC(=O)COC1=C(C=CC=C1)Br Z17829253 [0,2,0,0,0,0|2,0,0]=4 808 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl Z19726626 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.125 NC(=O)COC1=C(C=CC=C1)F Z19724798 [0,2,0,0,0,0|2,0,0]=4 810 B12R1.125 NC(=O)COC1=C(C=CC=C1)I Z406416164 [0,2,0,0,0,0|2,0,0]=4 811 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Br Z149386624 [0,2,0,0,0,0|2,0,0]=4 812 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Cl Z18459622 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.125 NC(=O)CSC1=C(C=CC=C1)N Z57332466 [0,2,0,0,0,0|2,0,0]=4 814 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br Z406704244 [0,2,0,0,0,0|2,0,0]=4 815 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl Z56943366 [0,2,0,0,0,0|2,0,0]=4 816 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F Z57991059 [0,2,0,0,0,0|2,0,0]=4 817 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [0,2,0,0,0,0|2,0,0]=4 818 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl Z274534698 [0,2,0,0,0,0|1,0,0]=3 819 B12R1.125 O=C(O)COC1=C(C=CC=C1)Br Z111834298 [0,2,0,0,0,0|2,0,0]=4 820 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl Z57042068 [0,2,0,0,0,0|2,0,0]=4 821 B12R1.125 O=C(O)COC1=C(C=CC=C1)F Z56823442 [0,2,0,0,0,0|2,0,0]=4 822 B12R1.125 O=C(O)COC1=C(C=CC=C1)O Z56869464 [0,2,0,0,0,0|2,0,0]=4 823 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Br Z56827233 [0,2,0,0,0,0|2,0,0]=4 824 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Cl Z55903470 [0,2,0,0,0,0|2,0,0]=4 825 B12R1.125 O=C(O)CSC1=C(C=CC=C1)F Z55903942 [0,2,0,0,0,0|2,0,0]=4 826 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O Z905204160 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.267 C#CCNCC1=C(C=CC=C1)Cl Z1705787112 [0,2,0,0,0,0|0,0,2]=4 828 B12R1.267 C=CCNCC1=C(C=CC=C1)F Z744843672 [0,2,0,0,0,0|0,0,0]=2 829 B12R1.267 CCCNCC1=C(C=CC=C1)F Z2524454856 [0,2,0,0,0,0|0,0,2]=4 830 B12R1.267 CCCNCC1=C(C=CC=C1)O Z316257178 [0,2,0,0,0,0|0,0,2]=4 831 B12R1.267 COCCNC1=C(C=CC=C1)N Z359511242 [0,2,0,0,0,0|0,0,2]=4 832 B12R1.267 N#CCCNC1=C(C=CC=C1)F Z56813548 [0,2,0,0,0,0|0,0,2]=4 833 B12R1.267 NC1=C(C=CC=C1)NCCCO Z390185384 [0,2,0,0,0,0|0,0,2]=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 OCCNCC1=C(C=CC=C1)Br Z90504623 [0,2,0,0,0,0|1,0,1]=4 837 B12R1.371 C=CC(=O)NC1=C(C=CC=C1)C Z440633758 [0,2,0,0,0,0|0,0,1]=3 838 B12R1.371 C=CC(=O)NC1=C(C=CC=C1)Cl Z440633680 [0,2,0,0,0,0|0,0,1]=3 839 B12R1.371 C=CC(=O)NC1=C(C=CC=C1)F Z295390598 [0,2,0,0,0,0|0,0,1]=3 840 B12R1.371 O=CC(Cl)CC1=C(C=CC=C1)Cl Z982126354 [0,2,0,0,0,0|2,0,0]=4 841 B12R1.374 C=CCNC1=C(C=NC(=N1)Cl)F Z56832148 [0,2,0,0,0,0|2,0,0]=4 842 B12R1.374 C=CCOC1=C(C=CC(=C1)C)C Z54338240 [0,2,0,0,0,0|1,0,0]=3 843 B12R1.1631 C#CCNC1=C(C=CC=C1C)C Z975898904 [0,2,0,0,0,0|0,0,2]=4 844 B12R1.1631 O=CCCC1=C(C=CC=C1Cl)Cl Z993017858 [0,2,0,0,0,0|2,0,0]=4 845 B12R1.1631 O=CCCC1=C(C=CC=C1Cl)F Z993017832 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.28 C=CCCOC1=CC=CC(=C1)N Z1219749397 [0,2,0,0,0,0|1,0,0]=3 847 B12R1.28 CC1=CC(=CC=C1)CNCCO Z1836652697 [0,2,0,0,0,0|1,0,1]=4 848 B12R1.28 CC1=CC(=CC=C1)NCCC#N Z56939180 [0,2,0,0,0,0|0,0,2]=4 849 B12R1.28 CCCCNC1=CC(=CC=C1)I Z1266854879 [0,2,0,0,0,0|0,0,2]=4 850 B12R1.28 N#CCCNC1=CC=CC(=C1)Cl Z56931866 [0,2,0,0,0,0|0,0,2]=4 851 B12R1.28 OCCNCC1=CC(=CC=C1)Cl Z1839480752 [0,2,0,0,0,0|1,0,1]=4 852 B12R1.28 OCCNCC1=CC(=CC=C1)F Z1840356205 [0,2,0,0,0,0|1,0,1]=4 853 B12R1.50 C=CC(=O)NC1=CC=CC(=C1)Br Z381016842 [0,2,0,0,0,0|0,0,1]=3 854 B12R1.50 C=CC(=O)NC1=CC=CC(=C1)C Z440633644 [0,2,0,0,0,0|0,0,1]=3 855 B12R1.50 C=CC(=O)NC1=CC=CC(=C1)Cl Z440633660 [0,2,0,0,0,0|0,0,1]=3 856 B12R1.50 C=CC(=O)NC1=CC=CC(=C1)F Z440633662 [0,2,0,0,0,0|0,0,1]=3 857 B12R1.100 OCCNC1=CC(=CC(=C1)Cl)Cl Z335266822 [0,2,0,0,0,0|1,0,1]=4 858 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [0,2,0,0,0,0|1,0,1]=4 859 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [0,2,0,0,0,0|1,0,1]=4 860 B12R1.226 CC(=O)NNC1=CC(=CC=C1)C Z30552180 [0,2,0,0,0,0|1,0,1]=4 861 B12R1.226 CC(C)CNC1=CC(=CC=C1)Cl Z2236582079 [0,2,0,0,0,0|0,0,2]=4 862 B12R1.226 CC(C)CNC1=CC(=CC=C1)O Z335562026 [0,2,0,0,0,0|0,0,2]=4 863 B12R1.226 CC1=CC(=CC=C1)CCC(=O)N Z194976514 [0,2,0,0,0,0|2,0,0]=4 864 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [0,2,0,0,0,0|2,0,0]=4 865 B12R1.226 CC1=CC(=CC=C1)NCC(=O)N Z104589324 [0,2,0,0,0,0|1,0,0]=3 866 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N Z19732960 [0,2,0,0,0,0|2,0,0]=4 867 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O Z56899056 [0,2,0,0,0,0|2,0,0]=4 868 B12R1.226 CC1=CC(=CC=C1)SCC(=O)O Z778642574 [0,2,0,0,0,0|2,0,0]=4 869 B12R1.226 FC(F)CNC1=CC(=CC=C1)Cl Z608352346 [0,2,0,0,0,0|1,0,1]=4 870 B12R1.226 NC(=O)CCC1=CC(=CC=C1)N Z414316850 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.226 NC(=O)CNC1=CC(=CC=C1)Br Z104587998 [0,2,0,0,0,0|1,0,0]=3 872 B12R1.226 NC(=O)CNC1=CC(=CC=C1)F Z104640682 [0,2,0,0,0,0|1,0,0]=3 873 B12R1.226 NC(=O)COC1=CC(=CC=C1)F Z19755608 [0,2,0,0,0,0|2,0,0]=4 874 B12R1.226 NC(=O)COC1=CC(=CC=C1)I Z25076202 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.226 NC(=O)COC1=CC(=CC=C1)N Z235344273 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.226 NC(=O)COC1=CC(=CC=C1)O Z381415558 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [0,2,0,0,0,0|2,0,0]=4 879 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl Z274534700 [0,2,0,0,0,0|1,0,0]=3 881 B12R1.226 O=C(O)COC1=CC(=CC=C1)Br Z56812737 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.226 O=C(O)COC1=CC(=CC=C1)Cl Z57008935 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Br Z255149890 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Cl Z994465872 [0,2,0,0,0,0|2,0,0]=4 885 B12R1.226 O=C(O)CSC1=CC(=CC=C1)F Z1198220671 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [0,2,0,0,0,0|2,0,0]=4 887 B12R1.382 C=CCCC1=CC(=CC=C1)C=O Z1511874801 [0,2,0,0,0,0|1,0,0]=3 888 B12R1.382 C=CCOC1=CC(=CC=C1)C=O Z54337144 [0,2,0,0,0,0|1,0,0]=3 889 B12R1.382 COC1=CC(=CC=C1)CCC=O Z993017768 [0,2,0,0,0,0|2,0,0]=4 890 B12R1.8 C#CCNOCC1=CC=CC=C1 Z1251328742 [0,2,0,0,0,0|0,0,2]=4 891 B12R1.8 C=CCNCCC1=CC=CC=C1 Z90513756 [0,2,0,0,0,0|0,0,0]=2 892 B12R1.8 CCCNCCC1=CC=CC=C1 Z90518163 [0,2,0,0,0,0|0,0,2]=4 893 B12R1.8 CCOCCNC1=CC=CC=C1 Z5256735719 [0,2,0,0,0,0|0,0,2]=4 894 B12R1.8 CNCCCNC1=CC=CC=C1 Z852438504 [0,2,0,0,0,0|0,0,2]=4 895 B12R1.8 CNCCNCC1=CC=CC=C1 Z425484772 [0,2,0,0,0,0|0,0,2]=4 896 B12R1.8 COCCNCC1=CC=CC=C1 Z56945503 [0,2,0,0,0,0|0,0,2]=4 897 B12R1.8 O=CCCCOC1=CC=CC=C1 Z993017686 [0,2,0,0,0,0|1,0,1]=4 898 B12R1.8 OCCCNCC1=CC=CC=C1 Z57079457 [0,2,0,0,0,0|0,0,2]=4 899 B12R1.8 OCCNCCC1=CC=CC=C1 Z90504498 [0,2,0,0,0,0|1,0,1]=4 900 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 Z1266856412 [0,2,0,0,0,0|1,0,1]=4 901 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 Z1198183530 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 Z56757233 [0,2,0,0,0,0|0,0,1]=3 903 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [0,2,0,0,0,0|1,0,1]=4 904 B12R1.27 CCC(C)NCC1=CC=CC=C1 Z57981002 [0,2,0,0,0,0|0,0,2]=4 905 B12R1.27 CCC(N)CNC1=CC=CC=C1 Z756919558 [0,2,0,0,0,0|0,0,2]=4 906 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [0,2,0,0,0,0|0,0,2]=4 907 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [0,2,0,0,0,0|1,0,1]=4 908 B12R1.27 CNC(=O)COC1=CC=CC=C1 Z19735428 [0,2,0,0,0,0|1,0,1]=4 909 B12R1.27 CNC(=O)CSC1=CC=CC=C1 Z19750829 [0,2,0,0,0,0|1,0,1]=4 910 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [0,2,0,0,0,0|1,0,1]=4 911 B12R1.27 COC(=O)CNC1=CC=CC=C1 Z1250132387 [0,2,0,0,0,0|0,0,1]=3 912 B12R1.27 COC(=O)NNC1=CC=CC=C1 Z56755853 [0,2,0,0,0,0|1,0,1]=4 913 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [0,2,0,0,0,0|1,0,1]=4 914 B12R1.27 N/C(=N\O)/CCC1=CC=CC=C1 Z285132818 [0,2,0,0,0,0|2,0,0]=4 915 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 Z104341168 [0,2,0,0,0,0|2,0,0]=4 916 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [0,2,0,0,0,0|1,0,1]=4 917 B12R1.27 NNC(=O)CNC1=CC=CC=C1 Z56886393 [0,2,0,0,0,0|1,0,0]=3 918 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [0,2,0,0,0,0|1,0,1]=4 919 B12R1.27 O=C(CCl)COC1=CC=CC=C1 Z1255416714 [0,2,0,0,0,0|1,0,1]=4 920 B12R1.32 C#CCN(C)CC1=CC=CC=C1 Z103710848 [0,2,0,0,0,0|0,0,2]=4 921 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [0,2,0,0,0,0|0,0,2]=4 922 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [0,2,0,0,0,0|1,0,1]=4 923 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [0,2,0,0,0,0|1,0,1]=4 924 B12R1.32 CNCC(=O)NC1=CC=CC=C1 Z380844554 [0,2,0,0,0,0|1,0,1]=4 925 B12R1.32 COCC(=O)NC1=CC=CC=C1 Z31504642 [0,2,0,0,0,0|1,0,1]=4 926 B12R1.32 CSCC(=O)NC1=CC=CC=C1 Z27781929 [0,2,0,0,0,0|1,0,1]=4 927 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 Z56813510 [0,2,0,0,0,0|1,0,1]=4 928 B12R1.32 NCCC(=O)NC1=CC=CC=C1 Z241054028 [0,2,0,0,0,0|1,0,1]=4 929 B12R1.32 O=C(/C=N/O)NC1=CC=CC=C1 Z56871811 [0,2,0,0,0,0|1,0,1]=4 930 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 Z217707130 [0,2,0,0,0,0|1,0,1]=4 931 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [0,2,0,0,0,0|1,0,1]=4 932 B12R1.252 CC(=O)NNCC1=CC=CC=C1 Z1726022904 [0,2,0,0,0,0|1,0,1]=4 933 B12R1.252 CC(O)CNCC1=CC=CC=C1 Z57326978 [0,2,0,0,0,0|0,0,2]=4 934 B12R1.252 CN(C)CCNC1=CC=CC=C1 Z335250304 [0,2,0,0,0,0|0,0,2]=4 935 B12R1.252 FC(F)CNCC1=CC=CC=C1 Z608352166 [0,2,0,0,0,0|1,0,1]=4 936 B12R1.252 N=C(N)COCC1=CC=CC=C1 Z2574925846 [0,2,0,0,0,0|2,0,0]=4 937 B12R1.252 N=C(N)CSCC1=CC=CC=C1 Z1795818268 [0,2,0,0,0,0|2,0,0]=4 938 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [0,2,0,0,0,0|0,0,1]=3 939 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [0,2,0,0,0,0|1,0,1]=4 940 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [0,2,0,0,0,0|1,0,1]=4 941 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [0,2,0,0,0,0|1,0,0]=3 942 B12R1.252 NC(=O)CNCC1=CN=CC=C1 Z1695669950 [0,2,0,0,0,0|2,0,0]=4 943 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [0,2,0,0,0,0|2,0,0]=4 944 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [0,2,0,0,0,0|2,0,0]=4 945 B12R1.252 NC(=S)NCCC1=CC=CC=C1 Z56933803 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.252 O=C(O)/C=C/SC1=CC=CC=C1 Z104378002 [0,2,0,0,0,0|1,0,1]=4 947 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 Z976639296 [0,2,0,0,0,0|2,0,0]=4 948 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [0,2,0,0,0,0|1,0,1]=4 949 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,2,0,0,0,0|0,0,1]=3 950 B12R1.252 O=C(O)CCNC1=NC=CC=C1 Z285820166 [0,2,0,0,0,0|1,0,1]=4 951 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [0,2,0,0,0,0|1,0,1]=4 952 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [0,2,0,0,0,0|1,0,1]=4 953 B12R1.252 O=C(O)CNCC1=CN=CC=C1 Z372854000 [0,2,0,0,0,0|2,0,0]=4 954 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z1259041052 [0,2,0,0,0,0|2,0,0]=4 955 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [0,2,0,0,0,0|1,0,1]=4 957 B12R1.43 CC(C)C(C)NC1=CC=CC=C1 Z334878086 [0,2,0,0,0,0|0,0,2]=4 958 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [0,2,0,0,0,0|2,0,0]=4 959 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [0,2,0,0,0,0|1,0,0]=3 960 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [0,2,0,0,0,0|2,0,0]=4 961 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [0,2,0,0,0,0|2,0,0]=4 962 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [0,2,0,0,0,0|2,0,0]=4 964 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,2,0,0,0,0|2,0,0]=4 965 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,2,0,0,0,0|2,0,0]=4 966 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,2,0,0,0,0|2,0,0]=4 967 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,2,0,0,0,0|2,0,0]=4 968 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,2,0,0,0,0|2,0,0]=4 970 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [0,2,0,0,0,0|1,0,1]=4 971 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,2,0,0,0,0|2,0,0]=4 972 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,2,0,0,0,0|2,0,0]=4 973 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,2,0,0,0,0|2,0,0]=4 974 B12R1.118 CCC(CO)NC1=CC=CC=C1 Z734137648 [0,2,0,0,0,0|0,0,2]=4 975 B12R1.118 COC(C=O)CC1=CC=CC=C1 Z1511872212 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.194 C=CS(=O)(=O)NC1=CC=CC=C1 Z1336450025 [0,2,0,0,0,0|1,0,0]=3 977 B12R1.194 C=CS(=O)(=O)OC1=CC=CC=C1 Z85923402 [0,2,0,0,0,0|2,0,0]=4 978 B12R1.194 CC(C)(C=O)CC1=CC=CC=C1 Z1188488760 [0,2,0,0,0,0|2,0,0]=4 979 B12R1.194 CC(C)(C=O)OC1=CC=CC=C1 Z1511766557 [0,2,0,0,0,0|2,0,0]=4 980 B12R1.891 CC(C)(C)CNC1=CC=CC=C1 Z685843996 [0,2,0,0,0,0|0,0,2]=4 981 B12R1.891 CC(C)(N)CNC1=CC=CC=C1 Z801831906 [0,2,0,0,0,0|0,0,2]=4 982 B12R1.891 FC(F)(F)CNC1=CC=CC=C1 Z335250264 [0,2,0,0,0,0|1,0,1]=4 983 B10R1.187 C=CCN1C(=CC=C1C)C Z56877840 [0,0,1,1,0,0|0,0,2]=4 984 B10R1.187 C=CCN1C(=O)C=CC1=O Z381005686 [0,0,1,1,0,0|2,0,0]=4 985 B10R2.6 C1=CC=C(C=C1)C2CO2 Z104486008 [1,0,0,1,0,0|1,0,1]=4 986 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 Z1255356265 [1,0,0,1,0,0|1,0,1]=4 987 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 Z1255390768 [1,0,0,1,0,0|1,0,1]=4 988 B10R2.7 C1=CC2=C(C=C1)CC=C2 Z104476162 [1,0,0,1,0,0|0,0,0]=2 989 B10R2.7 C1=CC2=C(C=C1)CNC2 Z1263820391 [1,0,0,1,0,0|1,0,1]=4 990 B10R2.7 C1=CC2=C(C=C1)COC2 Z839134770 [1,0,0,1,0,0|1,0,1]=4 991 B10R2.7 C1=CC2=C(C=C1)NC=C2 Z57833933 [1,0,0,1,0,0|0,0,0]=2 992 B10R2.7 C1=CC2=C(C=C1)NC=N2 Z57069879 [1,0,0,1,0,0|1,0,0]=3 993 B10R2.7 C1=CC2=C(C=C1)NCC2 Z104475582 [1,0,0,1,0,0|0,0,1]=3 994 B10R2.7 C1=CC2=C(C=C1)NN=C2 Z276614452 [1,0,0,1,0,0|1,0,0]=3 995 B10R2.7 C1=CC2=C(C=C1)NN=N2 Z57127352 [1,0,0,1,0,0|2,0,0]=4 996 B10R2.7 C1=CC2=C(C=C1)OC=C2 Z56347207 [1,0,0,1,0,0|1,0,0]=3 997 B10R2.7 C1=CC2=C(C=C1)OCC2 Z104505448 [1,0,0,1,0,0|1,0,1]=4 998 B10R2.7 C1=CC2=C(C=C1)ON=C2 Z220335556 [1,0,0,1,0,0|2,0,0]=4 999 B10R2.7 C1=CC2=C(C=C1)SC=C2 Z370711590 [1,0,0,1,0,0|1,0,0]=3 1000 B10R2.7 C1=CC2=C(C=C1)SC=N2 Z104472964 [1,0,0,1,0,0|1,0,1]=4 1001 B10R2.7 C1=CC2=C(C=CN2)C=N1 Z1079456082 [1,0,0,1,0,0|1,0,0]=3 1002 B10R2.7 C1=CC2=C(C=CO2)N=C1 Z2831987589 [1,0,0,1,0,0|2,0,0]=4 1003 B10R2.7 C1=CC2=C(C=CS2)C=N1 Z810507710 [1,0,0,1,0,0|2,0,0]=4 1004 B10R2.7 C1=CC2=C(C=N1)C=NN2 Z1157651607 [1,0,0,1,0,0|2,0,0]=4 1005 B10R2.7 C1=CC2=C(C=N1)CCN2 Z1650168304 [1,0,0,1,0,0|1,0,1]=4 1006 B10R2.7 C1=CC2=C(C=N1)NC=C2 Z871773918 [1,0,0,1,0,0|1,0,0]=3 1007 B10R2.7 C1=CC2=C(C=N1)NC=N2 Z1117890443 [1,0,0,1,0,0|2,0,0]=4 1008 B10R2.7 C1=CC2=C(C=N1)NCC2 Z1603826893 [1,0,0,1,0,0|1,0,1]=4 1009 B10R2.7 C1=CC2=C(CCN2)N=C1 Z1203748137 [1,0,0,1,0,0|1,0,1]=4 1010 B10R2.7 C1=CC2=C(N1)N=CC=N2 Z1198233190 [1,0,0,1,0,0|2,0,0]=4 1011 B10R2.7 C1=CC2=C(N1)N=CN=C2 Z1741974263 [1,0,0,1,0,0|2,0,0]=4 1012 B10R2.7 C1=CC2=C(N=C1)NC=C2 Z271099378 [1,0,0,1,0,0|1,0,0]=3 1013 B10R2.7 C1=CC2=C(N=C1)NC=N2 Z276130126 [1,0,0,1,0,0|2,0,0]=4 1014 B10R2.7 C1=CC2=C(N=C1)NCC2 Z979438826 [1,0,0,1,0,0|1,0,1]=4 1015 B10R2.7 C1=CC2=C(N=C1)NN=C2 Z1147474011 [1,0,0,1,0,0|2,0,0]=4 1016 B10R2.7 C1=CC2=C(N=N1)NC=C2 Z1198313815 [1,0,0,1,0,0|2,0,0]=4 1017 B10R2.7 C1=CC2=NC=CN2C=C1 Z838912682 [1,0,0,1,0,0|1,0,1]=4 1018 B10R2.7 C1=CNC2=CC=NC2=C1 Z1925930568 [1,0,0,1,0,0|1,0,1]=4 1019 B10R2.320 NC1CC2=C1C=CC=C2 Z1918018858 [1,0,0,1,0,0|1,0,1]=4 1020 B12R2.24 BrC1=CC2=C(C=C1)C=NC=C2 Z1258567795 [0,1,0,1,0,0|2,0,0]=4 1021 B12R2.24 BrC1=CC2=C(C=C1)N=CC=C2 Z732220500 [0,1,0,1,0,0|0,0,2]=4 1022 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 Z283683538 [0,1,0,1,0,0|0,0,2]=4 1023 B12R2.24 BrC1=CC2=C(C=C1)NCCN2 Z1269212086 [0,1,0,1,0,0|1,0,1]=4 1024 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 Z1741976975 [0,1,0,1,0,0|1,0,1]=4 1025 B12R2.24 BrC1=CC2=C(C=CC=C2)C=C1 Z166622678 [0,1,0,1,0,0|1,0,1]=4 1026 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 Z337707764 [0,1,0,1,0,0|0,0,2]=4 1027 B12R2.24 BrC1=NN=C2C=CC=CC2=C1 Z1269157470 [0,1,0,1,0,0|1,0,1]=4 1028 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 Z1201624992 [0,1,0,1,0,0|2,0,0]=4 1029 B12R2.24 CC1=CC2=C(C=C1)CCCN2 Z1166113428 [0,1,0,1,0,0|0,0,2]=4 1030 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 Z277960616 [0,1,0,1,0,0|0,0,2]=4 1031 B12R2.24 CC1=CC2=C(C=C1)NCCC2 Z104494706 [0,1,0,1,0,0|0,0,2]=4 1032 B12R2.24 CC1=CC2=C(C=C1)NCCO2 Z1203731551 [0,1,0,1,0,0|1,0,1]=4 1033 B12R2.24 CC1=CC2=C(C=CC=C2)C=C1 Z104476894 [0,1,0,1,0,0|1,0,1]=4 1034 B12R2.24 CC1=CC2=C(C=CC=C2)N=C1 Z1217215047 [0,1,0,1,0,0|0,0,2]=4 1035 B12R2.24 CC1=CC2=C(C=CN=C2)C=C1 Z1198320696 [0,1,0,1,0,0|2,0,0]=4 1036 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 Z56926563 [0,1,0,1,0,0|0,0,2]=4 1037 B12R2.24 CC1=NC2=C(C=CC=C2)SC1 Z2895174345 [0,1,0,1,0,0|1,0,1]=4 1038 B12R2.24 CC1=NC=C2C=CC=CC2=C1 Z1255419276 [0,1,0,1,0,0|2,0,0]=4 1039 B12R2.24 CC1CNC2=C(C1)C=CC=C2 Z1118526687 [0,1,0,1,0,0|0,0,2]=4 1040 B12R2.24 CC1CNC2=C(N1)C=CC=C2 Z1203731025 [0,1,0,1,0,0|0,0,2]=4 1041 B12R2.24 CC1CNC2=C(O1)C=CC=C2 Z1165160777 [0,1,0,1,0,0|0,0,2]=4 1042 B12R2.24 CC1CNC2=C(S1)C=CC=C2 Z1198343217 [0,1,0,1,0,0|0,0,2]=4 1043 B12R2.24 CC1COC2=C(N1)C=CC=C2 Z1201621516 [0,1,0,1,0,0|1,0,1]=4 1044 B12R2.24 CC1CSC2=C(N1)C=CC=C2 Z1262564902 [0,1,0,1,0,0|1,0,1]=4 1045 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 Z56791123 [0,1,0,1,0,0|2,0,0]=4 1046 B12R2.24 ClC1=CC2=C(C=C1)C=NC=C2 Z1198267117 [0,1,0,1,0,0|2,0,0]=4 1047 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 Z3244460786 [0,1,0,1,0,0|0,0,2]=4 1048 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 Z425469218 [0,1,0,1,0,0|0,0,2]=4 1049 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 Z259727454 [0,1,0,1,0,0|0,0,2]=4 1050 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 Z1198179941 [0,1,0,1,0,0|1,0,1]=4 1051 B12R2.24 ClC1=CC2=C(C=C1)SCCN2 Z361994002 [0,1,0,1,0,0|1,0,1]=4 1052 B12R2.24 ClC1=CC2=C(C=CC=C2)C=C1 Z1255485910 [0,1,0,1,0,0|1,0,1]=4 1053 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 Z1198150534 [0,1,0,1,0,0|2,0,0]=4 1054 B12R2.24 ClC1=NN=C2C=CC=CC2=C1 Z1255399482 [0,1,0,1,0,0|1,0,1]=4 1055 B12R2.24 FC1=CC2=C(C=C1)C=NC=C2 Z916823870 [0,1,0,1,0,0|2,0,0]=4 1056 B12R2.24 FC1=CC2=C(C=C1)N=CC=C2 Z361878560 [0,1,0,1,0,0|0,0,2]=4 1057 B12R2.24 IC1=CC2=C(C=C1)N=CC=C2 Z993990690 [0,1,0,1,0,0|0,0,2]=4 1058 B12R2.24 IC1=CC2=C(C=CC=C2)N=C1 Z1172379319 [0,1,0,1,0,0|0,0,2]=4 1059 B12R2.24 NC1=CC2=C(C=C1)N=CC=C2 Z255114686 [0,1,0,1,0,0|0,0,2]=4 1060 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 Z104494980 [0,1,0,1,0,0|1,0,1]=4 1061 B12R2.24 NC1=CC2=C(C=CC=C2)N=C1 Z234895085 [0,1,0,1,0,0|0,0,2]=4 1062 B12R2.24 NC1=CC2=C(C=CC=N2)C=C1 Z3069264308 [0,1,0,1,0,0|0,0,2]=4 1063 B12R2.24 NC1=NC2=C(C=CC=C2)C=C1 Z56347237 [0,1,0,1,0,0|0,0,2]=4 1064 B12R2.24 NC1=NC=C2C=CC=CC2=C1 Z1201619117 [0,1,0,1,0,0|2,0,0]=4 1065 B12R2.24 NC1=NN=C2C=CC=CC2=C1 Z1198155761 [0,1,0,1,0,0|1,0,1]=4 1066 B12R2.24 O=C1C=C2C=CC=CC2=CN1 Z1203731786 [0,1,0,1,0,0|2,0,0]=4 1067 B12R2.24 O=C1C=CC2=C(N1)C=CC=C2 Z57473020 [0,1,0,1,0,0|0,0,1]=3 1068 B12R2.24 O=C1C=CC2=C(N1)N=CC=C2 Z3235031491 [0,1,0,1,0,0|1,0,1]=4 1069 B12R2.24 O=C1C=CC2=C(O1)C=CC=C2 Z57169486 [0,1,0,1,0,0|1,0,1]=4 1070 B12R2.24 O=C1C=NC2=C(N1)C=CC=C2 Z56824051 [0,1,0,1,0,0|1,0,1]=4 1071 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 Z104495562 [0,1,0,1,0,0|1,0,1]=4 1072 B12R2.24 O=C1CCC2=C(N1)C=CC=C2 Z85917566 [0,1,0,1,0,0|2,0,0]=4 1073 B12R2.24 O=C1CCC2=C(O1)C=CC=C2 Z586249466 [0,1,0,1,0,0|2,0,0]=4 1074 B12R2.24 O=C1CNC2=C(N1)C=CC=C2 Z56990723 [0,1,0,1,0,0|1,0,0]=3 1075 B12R2.24 O=C1CNC2=C(N1)C=CC=N2 Z1142668508 [0,1,0,1,0,0|2,0,0]=4 1076 B12R2.24 O=C1CNC2=C(N1)C=NC=C2 Z916962704 [0,1,0,1,0,0|2,0,0]=4 1077 B12R2.24 O=C1COC2=C(N1)C=CC=C2 Z56989567 [0,1,0,1,0,0|2,0,0]=4 1078 B12R2.24 O=C1CSC2=C(N1)C=CC=C2 Z55120717 [0,1,0,1,0,0|2,0,0]=4 1079 B12R2.24 O=C1N=CC2=C(N1)C=CC=C2 Z1198176626 [0,1,0,1,0,0|1,0,1]=4 1080 B12R2.24 OC1=CC2=C(C=C1)C=NC=C2 Z2753800586 [0,1,0,1,0,0|2,0,0]=4 1081 B12R2.24 OC1=CC2=C(C=C1)CCCN2 Z1198176201 [0,1,0,1,0,0|0,0,2]=4 1082 B12R2.24 OC1=CC2=C(C=C1)N=CC=C2 Z759294450 [0,1,0,1,0,0|0,0,2]=4 1083 B12R2.24 OC1=CC2=C(C=C1)NCCO2 Z4967332209 [0,1,0,1,0,0|1,0,1]=4 1084 B12R2.24 OC1=CC2=C(C=C1)OCCN2 Z3234815231 [0,1,0,1,0,0|1,0,1]=4 1085 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 Z57127515 [0,1,0,1,0,0|1,0,1]=4 1086 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 Z1255419538 [0,1,0,1,0,0|0,0,2]=4 1087 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 Z56928661 [0,1,0,1,0,0|2,0,0]=4 1088 B12R2.24 OC1CNC2=C(C1)C=CC=C2 Z1198341064 [0,1,0,1,0,0|0,0,2]=4 1089 B12R2.24 SC1=NC2=C(C=CC=C2)C=C1 Z203045038 [0,1,0,1,0,0|0,0,2]=4 1090 B12R2.132 CC1=CC2=C(C=C1)CCC2=O Z814904824 [0,1,0,1,0,0|2,0,0]=4 1091 B12R2.132 CC1=CC2=C(C=C1)NN=C2N Z1203579236 [0,1,0,1,0,0|2,0,0]=4 1092 B12R2.132 CC1=NNC2=C1C=C(C=C2)Br Z1269128137 [0,1,0,1,0,0|1,0,1]=4 1093 B12R2.132 NC1=CC2=C(C=C1)CCC2=O Z1201619096 [0,1,0,1,0,0|2,0,0]=4 1094 B12R2.132 NC1=CC2=C(C=C1)NN=C2N Z1203581749 [0,1,0,1,0,0|2,0,0]=4 1095 B12R2.132 NC1=CC2=C(C=C1)NN=C2O Z1198174712 [0,1,0,1,0,0|2,0,0]=4 1096 B12R2.132 NC1=CNC2=C1C=C(C=C2)Cl Z3397208193 [0,1,0,1,0,0|1,0,1]=4 1097 B12R2.132 NC1=CNC2=C1C=C(C=C2)F Z4946628390 [0,1,0,1,0,0|1,0,1]=4 1098 B12R2.132 NC1=NNC2=C1C=C(C=C2)Br Z1203159770 [0,1,0,1,0,0|2,0,0]=4 1099 B12R2.132 NC1=NNC2=C1C=C(C=C2)Cl Z1198173226 [0,1,0,1,0,0|2,0,0]=4 1100 B12R2.132 NC1=NNC2=C1C=C(C=C2)F Z1095219060 [0,1,0,1,0,0|2,0,0]=4 1101 B12R2.132 O=C1CCC2=C1C=C(C=C2)F Z814904728 [0,1,0,1,0,0|2,0,0]=4 1102 B12R2.132 O=C1CCC2=C1C=C(C=C2)I Z1269230336 [0,1,0,1,0,0|2,0,0]=4 1103 B12R2.132 O=C1COC2=C1C=C(C=C2)Cl Z334863058 [0,1,0,1,0,0|2,0,0]=4 1104 B12R2.132 O=C1COC2=C1C=C(C=C2)F Z334863052 [0,1,0,1,0,0|2,0,0]=4 1105 B12R2.132 OC1=NNC2=C1C=C(C=C2)Br Z1269130677 [0,1,0,1,0,0|2,0,0]=4 1106 B12R2.2 C1=CC(=CC=N1)C2=CC=NN2 Z1258992467 [0,1,0,1,0,0|2,0,0]=4 1107 B12R2.2 C1=CC(=CC=N1)N2C=CN=C2 Z234895131 [0,1,0,1,0,0|1,0,1]=4 1108 B12R2.2 C1=CC(=CC=N1)N2C=NC=N2 Z3379686246 [0,1,0,1,0,0|2,0,0]=4 1109 B12R2.2 C1=CC(=CN=C1)N2C=CC=N2 Z1187715085 [0,1,0,1,0,0|1,0,1]=4 1110 B12R2.2 C1=CC(=CN=C1)N2C=CN=C2 Z1946235610 [0,1,0,1,0,0|1,0,1]=4 1111 B12R2.2 C1=CC(=CN=C1)N2C=CN=N2 Z2044758209 [0,1,0,1,0,0|2,0,0]=4 1112 B12R2.2 C1=CC=C(C=C1)C2=CC=CN2 Z1198155817 [0,1,0,1,0,0|0,0,1]=3 1113 B12R2.2 C1=CC=C(C=C1)C2=CC=CS2 Z57040506 [0,1,0,1,0,0|1,0,1]=4 1114 B12R2.2 C1=CC=C(C=C1)C2=CC=NN2 Z1224534135 [0,1,0,1,0,0|1,0,0]=3 1115 B12R2.2 C1=CC=C(C=C1)C2=CCNC2 Z1574940564 [0,1,0,1,0,0|1,0,1]=4 1116 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 Z1201618668 [0,1,0,1,0,0|2,0,0]=4 1117 B12R2.2 C1=CC=C(C=C1)C2=CN=NN2 Z2798585249 [0,1,0,1,0,0|2,0,0]=4 1118 B12R2.2 C1=CC=C(C=C1)C2=NC=CN2 Z104492164 [0,1,0,1,0,0|1,0,1]=4 1119 B12R2.2 C1=CC=C(C=C1)C2=NC=CS2 Z1198153051 [0,1,0,1,0,0|2,0,0]=4 1120 B12R2.2 C1=CC=C(C=C1)C2=NCCN2 Z283858536 [0,1,0,1,0,0|1,0,1]=4 1121 B12R2.2 C1=CC=C(C=C1)C2CCCN2 Z223138744 [0,1,0,1,0,0|0,0,2]=4 1122 B12R2.2 C1=CC=C(C=C1)N2C=CC=C2 Z55669104 [0,1,0,1,0,0|0,0,1]=3 1123 B12R2.2 C1=CC=C(C=C1)N2C=CC=N2 Z188745060 [0,1,0,1,0,0|0,0,1]=3 1124 B12R2.2 C1=CC=C(C=C1)N2C=CN=C2 Z440825046 [0,1,0,1,0,0|0,0,1]=3 1125 B12R2.2 C1=CC=C(C=C1)N2C=CN=N2 Z1198181362 [0,1,0,1,0,0|1,0,0]=3 1126 B12R2.2 C1=CC=C(C=C1)N2C=NC=N2 Z1198156169 [0,1,0,1,0,0|1,0,0]=3 1127 B12R2.2 C1=CN(N=C1)C2=CC=NC=C2 Z431560840 [0,1,0,1,0,0|1,0,1]=4 1128 B12R2.2 C1=CN=C(C=C1)C2=CC=NN2 Z2033454088 [0,1,0,1,0,0|2,0,0]=4 1129 B12R2.2 C1=CN=C(C=C1)N2C=CC=N2 Z431509814 [0,1,0,1,0,0|1,0,1]=4 1130 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 Z336080338 [0,1,0,1,0,0|1,0,1]=4 1131 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 Z367677412 [0,1,0,1,0,0|2,0,0]=4 1132 B12R2.27 O=C[C@@H]1C[C@H]1C2=CC=CC=C2 Z2298064271 [0,1,0,1,0,0|1,0,1]=4 1133 B12R2.1081 BrC1=C2C=CC=CC2=CN=C1 Z57474193 [0,1,0,1,0,0|2,0,0]=4 1134 B12R2.1081 BrC1=C2C=CN=CC2=CC=C1 Z57204608 [0,1,0,1,0,0|2,0,0]=4 1135 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 Z1269224644 [0,1,0,1,0,0|2,0,0]=4 1136 B12R2.1081 BrC1=C2CCCNC2=CC=C1 Z1269174223 [0,1,0,1,0,0|0,0,2]=4 1137 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 Z839152792 [0,1,0,1,0,0|0,0,2]=4 1138 B12R2.1081 BrC1=C2NCCCC2=CC=C1 Z992717150 [0,1,0,1,0,0|0,0,2]=4 1139 B12R2.1081 BrC1=C2NCCNC2=CC=C1 Z5857372668 [0,1,0,1,0,0|1,0,1]=4 1140 B12R2.1081 BrC1=C2NCCOC2=CC=C1 Z2943434775 [0,1,0,1,0,0|1,0,1]=4 1141 B12R2.1081 BrC1=C2NCCSC2=CC=C1 Z1269123510 [0,1,0,1,0,0|1,0,1]=4 1142 B12R2.1081 BrC1=C2OCCNC2=CC=C1 Z1983132695 [0,1,0,1,0,0|1,0,1]=4 1143 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 Z104475342 [0,1,0,1,0,0|1,0,1]=4 1144 B12R2.1081 CC1=C2C=CC=CC2=CC=N1 Z1255415440 [0,1,0,1,0,0|2,0,0]=4 1145 B12R2.1081 CC1=C2C=CC=CC2=NC=C1 Z104472668 [0,1,0,1,0,0|0,0,2]=4 1146 B12R2.1081 CC1=C2CCCNC2=CC=C1 Z1192360094 [0,1,0,1,0,0|0,0,2]=4 1147 B12R2.1081 CC1=C2NCCCC2=CC=C1 Z199537268 [0,1,0,1,0,0|0,0,2]=4 1148 B12R2.1081 CC1CCNC2=C1C=CC=C2 Z382691338 [0,1,0,1,0,0|0,0,2]=4 1149 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z1741982189 [0,1,0,1,0,0|0,0,2]=4 1150 B12R2.1081 CN1CCNC2=C1C=CC=C2 Z558641952 [0,1,0,1,0,0|0,0,2]=4 1151 B12R2.1081 ClC1=C2C=CC=CC2=CC=C1 Z104504716 [0,1,0,1,0,0|1,0,1]=4 1152 B12R2.1081 ClC1=C2C=CC=CC2=NC=C1 Z431511604 [0,1,0,1,0,0|0,0,2]=4 1153 B12R2.1081 ClC1=C2C=CN=CC2=CC=C1 Z1255446597 [0,1,0,1,0,0|2,0,0]=4 1154 B12R2.1081 ClC1=C2C=NC=CC2=CC=C1 Z1201624136 [0,1,0,1,0,0|2,0,0]=4 1155 B12R2.1081 ClC1=C2N=CC=CC2=CC=C1 Z362567890 [0,1,0,1,0,0|0,0,2]=4 1156 B12R2.1081 ClC1=C2NCCCC2=CC=C1 Z259727508 [0,1,0,1,0,0|0,0,2]=4 1157 B12R2.1081 ClC1=C2OCCNC2=CC=C1 Z1255446801 [0,1,0,1,0,0|1,0,1]=4 1158 B12R2.1081 FC1=C2C=CC=CC2=CC=C1 Z1162445957 [0,1,0,1,0,0|1,0,1]=4 1159 B12R2.1081 FC1=C2C=NC=CC2=CC=C1 Z916812496 [0,1,0,1,0,0|2,0,0]=4 1160 B12R2.1081 FC1=C2CCCNC2=CC=C1 Z1333761719 [0,1,0,1,0,0|0,0,2]=4 1161 B12R2.1081 FC1=C2N=CC=CC2=CC=C1 Z243277338 [0,1,0,1,0,0|0,0,2]=4 1162 B12R2.1081 FC1=C2NCCCC2=CC=C1 Z247615872 [0,1,0,1,0,0|0,0,2]=4 1163 B12R2.1081 FC1=C2NCCOC2=CC=C1 Z1255361602 [0,1,0,1,0,0|1,0,1]=4 1164 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 Z381540734 [0,1,0,1,0,0|0,0,2]=4 1165 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 Z57127984 [0,1,0,1,0,0|1,0,1]=4 1166 B12R2.1081 NC1=C2C=CC=CC2=CC=N1 Z1203162487 [0,1,0,1,0,0|2,0,0]=4 1167 B12R2.1081 NC1=C2C=CC=CC2=CN=C1 Z1524694515 [0,1,0,1,0,0|2,0,0]=4 1168 B12R2.1081 NC1=C2C=CC=CC2=NC=C1 Z381037214 [0,1,0,1,0,0|0,0,2]=4 1169 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 Z56919160 [0,1,0,1,0,0|0,0,2]=4 1170 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 Z104472972 [0,1,0,1,0,0|2,0,0]=4 1171 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 Z1201619572 [0,1,0,1,0,0|2,0,0]=4 1172 B12R2.1081 NC1=C2CCCNC2=CC=C1 Z1198176445 [0,1,0,1,0,0|0,0,2]=4 1173 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 Z57032752 [0,1,0,1,0,0|0,0,2]=4 1174 B12R2.1081 N[N+]1=C2C=CC=CC2=CC=C1 Z56760714 [0,1,0,1,0,0|0,0,2]=4 1175 B12R2.1081 O=C1C=CNC2=C1C=CN=C2 Z4513281563 [0,1,0,1,0,0|1,0,1]=4 1176 B12R2.1081 O=C1C=COC2=C1C=CC=C2 Z1218937140 [0,1,0,1,0,0|1,0,1]=4 1177 B12R2.1081 O=C1CCCC2=C1C=CC=C2 Z104477014 [0,1,0,1,0,0|1,0,1]=4 1178 B12R2.1081 O=C1CCNC2=C1C=CC=C2 Z1492781321 [0,1,0,1,0,0|0,0,1]=3 1179 B12R2.1081 O=C1CCOC2=C1C=CC=C2 Z85920466 [0,1,0,1,0,0|1,0,1]=4 1180 B12R2.1081 O=C1CCSC2=C1C=CC=C2 Z56914832 [0,1,0,1,0,0|1,0,1]=4 1181 B12R2.1081 O=C1COCC2=C1C=CC=C2 Z1201625145 [0,1,0,1,0,0|2,0,0]=4 1182 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 Z56960237 [0,1,0,1,0,0|2,0,0]=4 1183 B12R2.1081 O=C1NCCC2=C1C=CC=C2 Z56801375 [0,1,0,1,0,0|2,0,0]=4 1184 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 Z1198175817 [0,1,0,1,0,0|2,0,0]=4 1185 B12R2.1081 O=S1CCNC2=C1C=CC=C2 Z217166136 [0,1,0,1,0,0|1,0,1]=4 1186 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 Z104474036 [0,1,0,1,0,0|1,0,1]=4 1187 B12R2.1081 OC1=C2C=CC=CC2=CN=C1 Z1198152661 [0,1,0,1,0,0|2,0,0]=4 1188 B12R2.1081 OC1=C2C=CC=CC2=NC=C1 Z818727120 [0,1,0,1,0,0|0,0,2]=4 1189 B12R2.1081 OC1=C2C=CC=CC2=NN=C1 Z104495104 [0,1,0,1,0,0|1,0,1]=4 1190 B12R2.1081 OC1=C2C=NC=CC2=CC=C1 Z5141131098 [0,1,0,1,0,0|2,0,0]=4 1191 B12R2.1081 OC1=C2CCCNC2=CC=C1 Z1203731295 [0,1,0,1,0,0|0,0,2]=4 1192 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 Z56926518 [0,1,0,1,0,0|0,0,2]=4 1193 B12R2.1081 OC1=C2NCCCC2=CC=C1 Z57001601 [0,1,0,1,0,0|0,0,2]=4 1194 B12R2.1081 OC1CCNC2=C1C=CC=C2 Z1198723522 [0,1,0,1,0,0|0,0,2]=4 1195 B12R2.1081 S=C1C=CNC2=C1C=CC=C2 Z1258992692 [0,1,0,1,0,0|0,0,1]=3 1196 B12R2.1081 S=C1C=NNC2=C1C=CC=C2 Z126932680 [0,1,0,1,0,0|1,0,0]=3 1197 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 Z335243948 [0,1,0,1,0,0|2,0,0]=4 1198 B12R2.2028 CN1C=C(C2=C1C=CC=C2)N Z2787455551 [0,1,0,1,0,0|1,0,1]=4 1199 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 Z1255452290 [0,1,0,1,0,0|2,0,0]=4 1200 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 Z57131040 [0,1,0,1,0,0|2,0,0]=4 1201 B12R2.32 O=CC1=CC2=C(N1)C=CC=C2 Z1203160203 [0,1,0,1,0,0|1,0,1]=4 1202 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 Z57114985 [0,1,0,1,0,0|1,0,1]=4 1203 B12R2.32 O=CC1CC2=C(C1)C=CC=C2 Z1255436588 [0,1,0,1,0,0|2,0,0]=4 1204 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 Z334686316 [0,1,0,1,0,0|2,0,0]=4 1205 B12R2.196 CC1=C2NN=C(C2=CC=C1)N Z1198235844 [0,1,0,1,0,0|2,0,0]=4 1206 B12R2.196 CC1=NNC2=C1C=CC=C2F Z1255385841 [0,1,0,1,0,0|1,0,1]=4 1207 B12R2.196 ClC1=C2NC=C(C2=CC=C1)Br Z1269127355 [0,1,0,1,0,0|1,0,1]=4 1208 B12R2.196 NC1=C2CCC(=O)C2=CC=C1 Z5097408049 [0,1,0,1,0,0|2,0,0]=4 1209 B12R2.196 NC1=NNC2=C1C=CC=C2Br Z1269197206 [0,1,0,1,0,0|2,0,0]=4 1210 B12R2.196 O=C1CCC2=C(C=CC=C12)Br Z334686326 [0,1,0,1,0,0|2,0,0]=4 1211 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl Z234895081 [0,1,0,1,0,0|2,0,0]=4 1212 B12R2.196 O=C1CCC2=C(C=CC=C12)F Z334686322 [0,1,0,1,0,0|2,0,0]=4 1213 B12R2.196 O=C1CCC2=C(C=CC=C12)O Z203881856 [0,1,0,1,0,0|2,0,0]=4 1214 B12R2.196 O=C1COC2=C(C=CC=C12)Br Z334863098 [0,1,0,1,0,0|2,0,0]=4 1215 B12R2.196 O=C1COC2=C(C=CC=C12)Cl Z334863094 [0,1,0,1,0,0|2,0,0]=4 1216 B12R2.196 OC1=NNC2=C1C=CC=C2Br Z2757551695 [0,1,0,1,0,0|2,0,0]=4 1217 B12R2.225 NC1=C(C=CC=C1)NC2CC2 Z2526439762 [0,1,0,1,0,0|0,0,2]=4 1218 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 Z1255399735 [0,1,0,1,0,0|2,0,0]=4 1219 B12R2.203 FC1=C2C(=CNC2=CC=C1)Br Z1544675659 [0,1,0,1,0,0|1,0,1]=4 1220 B12R2.203 NC1=NNC2=C1C(=CC=C2)Br Z1269220695 [0,1,0,1,0,0|2,0,0]=4 1221 B12R2.203 NC1=NNC2=C1C(=CC=C2)F Z381676076 [0,1,0,1,0,0|2,0,0]=4 1222 B12R2.203 NC1=NNC2=C1C(=CC=C2)I Z1269133602 [0,1,0,1,0,0|2,0,0]=4 1223 B12R2.203 O=C1CCC2=CC=CC(=C12)F Z1201624056 [0,1,0,1,0,0|2,0,0]=4 1224 B12R2.203 O=C1CCC2=CC=CC(=C12)O Z1255416018 [0,1,0,1,0,0|2,0,0]=4 1225 B12R2.203 O=C1COC2=CC=CC(=C12)Cl Z1255379841 [0,1,0,1,0,0|2,0,0]=4 1226 B12R2.203 O=C1COC2=CC=CC(=C12)F Z1198342984 [0,1,0,1,0,0|2,0,0]=4 1227 B12R2.203 O=C1NNC2=CC=CC(=C12)Br Z1269126740 [0,1,0,1,0,0|2,0,0]=4 1228 B12R2.203 O=C1NNC2=CC=CC(=C12)Cl Z1098880205 [0,1,0,1,0,0|2,0,0]=4 1229 B12R2.612 CC1=CC2=C(C=C1)C(=CN2)C Z1203732482 [0,1,0,1,0,0|0,0,2]=4 1230 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 Z318770612 [0,1,0,1,0,0|2,0,0]=4 1231 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Z1255397223 [0,1,0,1,0,0|2,0,0]=4 1232 B12R2.612 CC1=CC2=C(C=C1)C(=O)CS2 Z1255404471 [0,1,0,1,0,0|2,0,0]=4 1233 B12R2.612 CC1=CNC2=C1C=CC(=C2)Cl Z1255439930 [0,1,0,1,0,0|0,0,2]=4 1234 B12R2.612 CC1=CNC2=C1C=CC(=C2)O Z1203731448 [0,1,0,1,0,0|0,0,2]=4 1235 B12R2.612 CC1=NNC2=C1C=CC(=C2)Br Z1269153561 [0,1,0,1,0,0|1,0,1]=4 1236 B12R2.612 CC1=NNC2=C1C=CC(=C2)I Z1269153698 [0,1,0,1,0,0|1,0,1]=4 1237 B12R2.612 CC1=NNC2=C1C=CC(=C2)N Z1198280276 [0,1,0,1,0,0|1,0,1]=4 1238 B12R2.612 ClC1=CC2=C(C=C1)C(=CN2)I Z1269185626 [0,1,0,1,0,0|1,0,1]=4 1239 B12R2.612 N=C1C=CC2=C(NNC2=C1)N Z1350606408 [0,1,0,1,0,0|2,0,0]=4 1240 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 Z57109500 [0,1,0,1,0,0|2,0,0]=4 1241 B12R2.612 NC1=NNC2=C1C=CC(=C2)F Z1198169924 [0,1,0,1,0,0|2,0,0]=4 1242 B12R2.612 O=C1CCC2=C1C=CC(=C2)Br Z318770638 [0,1,0,1,0,0|2,0,0]=4 1243 B12R2.612 O=C1CCC2=C1C=CC(=C2)Cl Z318770634 [0,1,0,1,0,0|2,0,0]=4 1244 B12R2.612 O=C1CCC2=C1C=CC(=C2)F Z318770630 [0,1,0,1,0,0|2,0,0]=4 1245 B12R2.612 O=C1CCC2=C1C=CC(=C2)O Z1255457932 [0,1,0,1,0,0|2,0,0]=4 1246 B12R2.612 O=C1COC2=C1C=CC(=C2)Br Z1269152090 [0,1,0,1,0,0|2,0,0]=4 1247 B12R2.612 O=C1COC2=C1C=CC(=C2)Cl Z1198169822 [0,1,0,1,0,0|2,0,0]=4 1248 B12R2.612 O=C1COC2=C1C=CC(=C2)F Z1198221984 [0,1,0,1,0,0|2,0,0]=4 1249 B12R2.612 O=C1COC2=C1C=CC(=C2)O Z111875098 [0,1,0,1,0,0|2,0,0]=4 1250 B12R2.612 OC1=NNC2=C1C=CC(=C2)F Z1198174696 [0,1,0,1,0,0|2,0,0]=4 1251 B12R2.1286 NC1=CC(=CC=C1)NC2CC2 Z376447526 [0,1,0,1,0,0|0,0,2]=4 1252 B12R2.1 C=CN1C=NC2=C1C=CC=C2 Z87001578 [0,1,0,1,0,0|0,0,2]=4 1253 B12R2.1 CCC1=CNC2=C1C=CC=C2 Z1198159100 [0,1,0,1,0,0|0,0,2]=4 1254 B12R2.1 CCC1NCC2=C1C=CC=C2 Z2937794220 [0,1,0,1,0,0|0,0,2]=4 1255 B12R2.1 CSC1=CNC2=C1C=CC=C2 Z1262562193 [0,1,0,1,0,0|0,0,2]=4 1256 B12R2.1 N#CC1=CNC2=C1C=CC=C2 Z57204989 [0,1,0,1,0,0|0,0,2]=4 1257 B12R2.1 N#CC1=NNC2=C1C=CC=C2 Z1198158918 [0,1,0,1,0,0|1,0,1]=4 1258 B12R2.1 O=CC1=C2C=CC=CC2=NS1 Z1504687602 [0,1,0,1,0,0|1,0,1]=4 1259 B12R2.1 O=CC1=CNC2=C1C=CC=C2 Z56785575 [0,1,0,1,0,0|0,0,1]=3 1260 B12R2.1 O=CC1=CNC2=C1C=CC=N2 Z57337365 [0,1,0,1,0,0|1,0,1]=4 1261 B12R2.1 O=CC1=CNC2=C1C=CN=C2 Z1198176790 [0,1,0,1,0,0|1,0,1]=4 1262 B12R2.1 O=CC1=CNC2=C1C=NC=C2 Z1079456084 [0,1,0,1,0,0|1,0,1]=4 1263 B12R2.1 O=CC1=CNC2=C1N=CC=C2 Z1203747933 [0,1,0,1,0,0|1,0,1]=4 1264 B12R2.1 O=CC1=COC2=C1C=CC=C2 Z1197879644 [0,1,0,1,0,0|1,0,1]=4 1265 B12R2.1 O=CC1=CSC2=C1C=CC=C2 Z199535912 [0,1,0,1,0,0|1,0,1]=4 1266 B12R2.1 O=CC1=NNC2=C1C=CC=C2 Z1065726010 [0,1,0,1,0,0|1,0,0]=3 1267 B12R2.1 O=CC1CCC2=C1C=CC=C2 Z1070003774 [0,1,0,1,0,0|1,0,1]=4 1268 B12R2.1 OCC1=CNC2=C1C=CC=C2 Z85923165 [0,1,0,1,0,0|0,0,2]=4 1269 B12R2.1 OCC1CNC2=C1C=CC=C2 Z2213893407 [0,1,0,1,0,0|0,0,2]=4 1270 B12R2.23 CC1CNC1C2=CC=CC=C2 Z1268458216 [0,1,0,1,0,0|0,0,2]=4 1271 B12R2.23 O=C1CCN1C2=CC=CC=C2 Z1198221109 [0,1,0,1,0,0|0,0,1]=3 1272 B12R2.2057 C1=CC=C(C=C1)NCC2CC2 Z431957604 [0,1,0,1,0,0|0,0,2]=4 1273 B12R2.18 CC1=C(C2=C(N1)C=CC=C2)Br Z361892264 [0,1,0,1,0,0|1,0,1]=4 1274 B12R2.18 CC1=C(C2=C(N1)C=CC=C2)C Z56867202 [0,1,0,1,0,0|0,0,2]=4 1275 B12R2.18 CC1CC2=C(C1=O)C=CC=C2 Z854042930 [0,1,0,1,0,0|2,0,0]=4 1276 B12R2.18 CN1NC2=C(C1=O)C=CC=C2 Z1255429786 [0,1,0,1,0,0|2,0,0]=4 1277 B12R2.18 NC1CC2=C(C1=O)C=CC=C2 Z1551475987 [0,1,0,1,0,0|2,0,0]=4 1278 B12R2.18 O=C1C2=C(C=CC=C2)CC1Cl Z854067258 [0,1,0,1,0,0|2,0,0]=4 1279 B12R2.18 O=C1NC2=C(C1=O)C=CC=C2 Z57127903 [0,1,0,1,0,0|1,0,1]=4 1280 B12R2.2403 CC1(CNC2=C1C=CC=C2)C Z1413780522 [0,1,0,1,0,0|0,0,2]=4 1281 B12R2.3190 N=C(N)C1CC2=C1C=CC=C2 Z1613477992 [0,1,0,1,0,0|2,0,0]=4 1282 B8R1.8 C=CCN1C=CN=C1 Z104477560 [1,0,0,0,1,0|2,0,0]=4 1283 B8R1.8 O=CCC1=CC=CO1 Z1179944709 [1,0,0,0,1,0|2,0,0]=4 1284 B8R1.8 O=CCC1=CC=CS1 Z993017816 [1,0,0,0,1,0|2,0,0]=4 1285 B8R1.8 O=CCC1=CSC=C1 Z1079442684 [1,0,0,0,1,0|2,0,0]=4