0 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.17 N#CCNC1=CC=CC=C1 Z56347332 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 N#CCOC1=CC=CC=C1 Z53792061 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 N#CCSC1=CC=CC=C1 Z19751391 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.17 NC/C=C/C1=CC=CC=C1 Z2953771905 [0,0,0,0,0,0|1,0,1]=2 10 B10R1.17 NC/C=C/C1=CN=CC=C1 Z2216303151 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.17 NCC#CC1=CC=CC=C1 Z227964210 [0,0,0,0,0,0|1,0,3]=4 12 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [0,0,0,0,0,0|1,0,3]=4 13 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.17 O=C/C=C/C1=CC=CC=C1 Z3219847383 [0,0,0,0,0,0|0,0,0]=0 17 B10R1.17 O=C/C=C/C1=CC=NC=C1 Z2417822722 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.17 O=C/C=C/C1=NC=CC=C1 Z1255366309 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.17 O=CC#CC1=CC=CC=C1 Z1255485337 [0,0,0,0,0,0|0,0,2]=2 20 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [0,0,0,0,0,0|0,0,2]=2 21 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [0,0,0,0,0,0|1,0,2]=3 23 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [0,0,0,0,0,0|1,0,2]=3 24 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [0,0,0,0,0,0|1,0,1]=2 25 B10R1.17 O=CCOC1=NC=CC=C1 Z1255434510 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [0,0,0,0,0,0|1,0,1]=2 27 B10R1.17 O=CNNC1=CC=CC=C1 Z1198148433 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [0,0,0,0,0,0|0,0,2]=2 29 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [0,0,0,0,0,0|0,0,4]=4 30 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [0,0,0,0,0,0|1,0,3]=4 31 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [0,0,0,0,0,0|1,0,3]=4 32 B10R1.17 S=C=NCC1=CC=CC=C1 Z56869309 [0,0,0,0,0,0|1,1,2]=4 33 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [1,0,0,0,0,0|0,0,3]=4 34 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [1,0,0,0,0,0|1,0,2]=4 35 B9R1.8 N#COC1=CC=CC=C1 Z1198165353 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [1,0,0,0,0,0|0,0,1]=2 39 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [1,0,0,0,0,0|0,0,3]=4 40 B9R1.8 S=C=NC1=CC=CC=C1 Z56904678 [1,0,0,0,0,0|1,1,1]=4 41 B11R1.1 C=CCOC1=CC=C(C=C1)O Z381414818 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.1 CC1=NC=C(C=C1)/C=C/C=O Z1695735078 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.1 CC1=NC=C(C=C1)CCC=O Z1233208116 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.1 N#C/C=C/C1=CC=C(C=C1)Cl Z57640817 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.1 NC/C=C/C1=CC=C(C=C1)Br Z2235681463 [0,1,0,0,0,0|1,0,1]=3 46 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Br Z1269187977 [0,1,0,0,0,0|0,0,0]=1 47 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Cl Z2242062296 [0,1,0,0,0,0|0,0,0]=1 48 B11R1.1 O=C/C=C/C1=CC=C(C=C1)F Z2768202189 [0,1,0,0,0,0|0,0,0]=1 49 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [0,1,0,0,0,0|0,0,2]=3 50 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [0,1,0,0,0,0|0,0,2]=3 51 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [0,1,0,0,0,0|0,0,2]=3 52 B11R1.1 O=CCOC1=CC=C(C=C1)F Z854102568 [0,1,0,0,0,0|1,0,1]=3 53 B11R1.1 O=CCSC1=CC=C(C=C1)F Z854102782 [0,1,0,0,0,0|1,0,1]=3 54 B11R1.1 OC/C=C/C1=CC=C(C=C1)O Z2235811101 [0,1,0,0,0,0|0,0,2]=3 55 B11R1.16 C/C=C/C(=O)C1=CC=CC=C1 Z2259130553 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [0,1,0,0,0,0|0,0,2]=3 57 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [0,1,0,0,0,0|1,0,2]=4 58 B11R1.16 CCOC(=O)C1=CC=CC=C1 Z53835169 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.16 CSCC(=O)C1=CC=CC=C1 Z732208586 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.16 N#C/C=C(\Cl)/C1=CC=CC=C1 Z56912627 [0,1,0,0,0,0|1,0,1]=3 61 B11R1.16 N#C/C=C(\N)/C1=CC=CC=C1 Z2259146567 [0,1,0,0,0,0|1,0,1]=3 62 B11R1.16 N#CCC(=O)C1=CC=CC=C1 Z56899088 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.16 N#CNC(=O)C1=CC=CC=C1 Z276572712 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.16 O=C(CCCl)C1=CC=CC=C1 Z1065610596 [0,1,0,0,0,0|1,0,2]=4 65 B11R1.16 O=C(NCO)C1=CC=CC=C1 Z56799838 [0,1,0,0,0,0|1,0,2]=4 66 B11R1.17 C=CCSC1=C(C=CC=C1)N Z89272864 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.17 CC1=C(C=NC=C1)CCC=O Z1270653786 [0,1,0,0,0,0|1,0,2]=4 68 B11R1.17 O=CCCC1=C(C=CC=C1)F Z993017602 [0,1,0,0,0,0|0,0,2]=3 69 B11R1.24 C=CCCC1=CC=CC(=C1)Br Z1269162615 [0,1,0,0,0,0|1,0,2]=4 70 B11R1.24 C=CCOC1=CC=CC(=C1)N Z274779170 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.24 CC1=CC(=CN=C1)CCC=O Z1492427371 [0,1,0,0,0,0|1,0,2]=4 72 B11R1.24 O=C/C=C/C1=CC=CC(=C1)F Z1198179803 [0,1,0,0,0,0|0,0,0]=1 73 B11R1.24 O=CCCC1=CC=CC(=C1)Cl Z993017744 [0,1,0,0,0,0|0,0,2]=3 74 B11R1.24 O=CCCC1=CC=CC(=C1)F Z993017622 [0,1,0,0,0,0|0,0,2]=3 75 B11R1.24 O=CCCC1=CN=CC(=C1)F Z1233207916 [0,1,0,0,0,0|1,0,2]=4 76 B11R1.24 OC/C=C/C1=CC(=CN=C1)Br Z1703199250 [0,1,0,0,0,0|1,0,2]=4 77 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [0,1,0,0,0,0|1,0,2]=4 78 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [0,1,0,0,0,0|0,0,2]=3 79 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [0,1,0,0,0,0|0,0,2]=3 80 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [0,1,0,0,0,0|0,0,2]=3 81 B11R1.40 C#CC(=O)CC1=CC=CC=C1 Z1266856334 [0,1,0,0,0,0|1,0,2]=4 82 B11R1.40 C/C(=C\C1=CC=CC=C1)/C=O Z3219847417 [0,1,0,0,0,0|0,0,0]=1 83 B11R1.40 C=CC(=O)NC1=CC=CC=C1 Z440633536 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.40 C=CC(=O)NC1=CN=CC=C1 Z440633590 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.40 C=CC(=O)NC1=NC=CC=C1 Z440633578 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [0,1,0,0,0,0|0,0,2]=3 87 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.40 CNC(=O)NC1=CC=CC=C1 Z55293754 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.40 CNC(=S)NC1=CC=CC=C1 Z45796176 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.40 CS/C(=N/C1=CC=CC=C1)/N Z107728768 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.40 N=C(NN)NC1=CC=CC=C1 Z2768171754 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [0,1,0,0,0,0|1,0,2]=4 93 B11R1.40 NCC(=O)NC1=CC=CC=C1 Z594413794 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.40 NNC(=O)CC1=CC=CC=C1 Z56867310 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.40 NNC(=O)NC1=CC=CC=C1 Z56855648 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.40 NNC(=S)NC1=CC=CC=C1 Z56836896 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [0,1,0,0,0,0|1,0,2]=4 98 B11R1.40 O=C(CCl)NC1=CC=CC=C1 Z56889119 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.40 O=C(CO)NC1=CC=CC=C1 Z228585444 [0,1,0,0,0,0|1,0,2]=4 100 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Br Z2312942099 [0,1,0,0,0,0|0,0,0]=1 101 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Cl Z104475950 [0,1,0,0,0,0|0,0,0]=1 102 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.91 CC(=O)/C=C/C1=NC=CC=C1 Z2004564056 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [0,1,0,0,0,0|1,0,1]=3 105 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [0,1,0,0,0,0|1,0,1]=3 106 B11R1.91 CC(=O)NCC1=NC=CC=C1 Z324553036 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.91 CC(=O)NNC1=CC=CC=C1 Z27767717 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [0,1,0,0,0,0|1,0,2]=4 110 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.91 N=C(N)CSC1=CC=CC=C1 Z1532718998 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.91 N=C(N)SCC1=CC=CC=C1 Z89242849 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.91 NC(=O)/C=C/C1=CN=CC=C1 Z284112150 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [0,1,0,0,0,0|0,0,2]=3 115 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [0,1,0,0,0,0|1,0,2]=4 116 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [0,1,0,0,0,0|1,0,1]=3 117 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.91 NC(=O)COC1=CN=CC=C1 Z336080090 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.91 NC(=O)CSC1=CC=NC=C1 Z33546963 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [0,1,0,0,0,0|1,0,1]=3 122 B11R1.91 NC(=O)NCC1=CC=NC=C1 Z198194796 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.91 NC(=O)NCC1=CN=CC=C1 Z57664442 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.91 NC(=O)NCC1=NC=CC=C1 Z198194794 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [0,1,0,0,0,0|0,1,2]=4 127 B11R1.91 NC(=S)COC1=CC=CC=C1 Z108595128 [0,1,0,0,0,0|1,1,1]=4 128 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [0,1,0,0,0,0|1,1,1]=4 129 B11R1.91 NC(=S)NNC1=CC=CC=C1 Z104483868 [0,1,0,0,0,0|2,1,0]=4 130 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [0,1,0,0,0,0|0,0,0]=1 131 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 Z2315575398 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.91 O=C(O)/C=C/C1=CN=CC=C1 Z2315575379 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.91 O=C(O)/C=C/C1=NC=CC=C1 Z57069085 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.91 O=C(O)/C=C/C1=NC=CN=C1 Z445220894 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.91 O=C(O)/C=C/C1=NC=NC=C1 Z1184882069 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [0,1,0,0,0,0|0,0,2]=3 137 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [0,1,0,0,0,0|0,0,2]=3 138 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [0,1,0,0,0,0|1,0,2]=4 139 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [0,1,0,0,0,0|1,0,2]=4 140 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [0,1,0,0,0,0|1,0,2]=4 141 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [0,1,0,0,0,0|1,0,1]=3 142 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [0,1,0,0,0,0|1,0,1]=3 148 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.91 O=C([O-])COC1=NC=CC=C1 Z2989350877 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [0,1,0,0,0,0|1,0,2]=4 152 B11R1.91 O=[N+]([O-])CSC1=CC=CC=C1 Z1255375331 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.91 OB(O)/C=C/C1=CC=CC=C1 Z2315575087 [0,1,0,0,0,0|1,0,1]=3 154 B11R2.1 BrC1=C2C=CC=CN2C=N1 Z1198169943 [0,0,0,1,0,0|3,0,0]=4 155 B11R2.1 BrC1=C2C=CC=CN2N=C1 Z1198169703 [0,0,0,1,0,0|3,0,0]=4 156 B11R2.1 BrC1=CNC2=C1C=CC=N2 Z1665033561 [0,0,0,1,0,0|3,0,0]=4 157 B11R2.1 BrC1=CNC2=C1C=CN=C2 Z3302856393 [0,0,0,1,0,0|3,0,0]=4 158 B11R2.1 BrC1=NNC2=C1C=CC=C2 Z56791616 [0,0,0,1,0,0|3,0,0]=4 159 B11R2.1 CC1=C2C=CC=CC2=NN1 Z1258992514 [0,0,0,1,0,0|3,0,0]=4 160 B11R2.1 CC1=CNC2=C1C=CC=C2 Z415653134 [0,0,0,1,0,0|2,0,0]=3 161 B11R2.1 CC1=CNC2=C1N=CC=C2 Z1203733882 [0,0,0,1,0,0|3,0,0]=4 162 B11R2.1 CC1=COC2=C1C=CC=C2 Z1203161674 [0,0,0,1,0,0|2,0,0]=3 163 B11R2.1 CC1=NC=C2N1C=CC=C2 Z57213534 [0,0,0,1,0,0|3,0,0]=4 164 B11R2.1 CC1=NOC2=C1C=CC=C2 Z104341886 [0,0,0,1,0,0|3,0,0]=4 165 B11R2.1 CN1C=CC2=C1C=CN=C2 Z1255373921 [0,0,0,1,0,0|3,0,0]=4 166 B11R2.1 CN1C=NC2=C1C=CC=C2 Z53833303 [0,0,0,1,0,0|3,0,0]=4 167 B11R2.1 C[N+]1=CSC2=C1C=CC=C2 Z56791134 [0,0,0,1,0,0|3,0,0]=4 168 B11R2.1 ClC1=C2C=CC=CC2=NN1 Z1695729006 [0,0,0,1,0,0|3,0,0]=4 169 B11R2.1 ClC1=C2C=CC=CC2=NS1 Z992921742 [0,0,0,1,0,0|3,0,0]=4 170 B11R2.1 ClC1=CNC2=C1C=CC=C2 Z1020823312 [0,0,0,1,0,0|2,0,0]=3 171 B11R2.1 ClC1=CNC2=C1C=CN=C2 Z1618035710 [0,0,0,1,0,0|3,0,0]=4 172 B11R2.1 ClC1=NSC2=C1C=CC=C2 Z57033963 [0,0,0,1,0,0|3,0,0]=4 173 B11R2.1 IC1=C2C=CC=CN2N=C1 Z1416202327 [0,0,0,1,0,0|3,0,0]=4 174 B11R2.1 IC1=CN=C2N1C=CC=C2 Z1262250911 [0,0,0,1,0,0|3,0,0]=4 175 B11R2.1 IC1=CNC2=C1C=CC=N2 Z1269158296 [0,0,0,1,0,0|3,0,0]=4 176 B11R2.1 IC1=CNC2=C1C=CN=C2 Z1269236830 [0,0,0,1,0,0|3,0,0]=4 177 B11R2.1 IC1=CNC2=C1C=NC=C2 Z1154254658 [0,0,0,1,0,0|3,0,0]=4 178 B11R2.1 IC1=CNC2=C1N=CC=C2 Z1269234225 [0,0,0,1,0,0|3,0,0]=4 179 B11R2.1 NC1=C2C=CC=CC2=NS1 Z1198161072 [0,0,0,1,0,0|3,0,0]=4 180 B11R2.1 NC1=CN=C2N1C=CC=C2 Z1203578955 [0,0,0,1,0,0|3,0,0]=4 181 B11R2.1 NC1=NC=C2N1C=CC=C2 Z1551955789 [0,0,0,1,0,0|3,0,0]=4 182 B11R2.1 NC1=NNC2=C1C=CC=C2 Z56820416 [0,0,0,1,0,0|3,0,0]=4 183 B11R2.1 NC1=NOC2=C1C=CC=C2 Z218760918 [0,0,0,1,0,0|3,0,0]=4 184 B11R2.1 NC1=NSC2=C1C=CC=C2 Z56774438 [0,0,0,1,0,0|3,0,0]=4 185 B11R2.1 NN1C=NC2=C1C=CC=C2 Z99599676 [0,0,0,1,0,0|3,0,0]=4 186 B11R2.1 O=C1CCC2=C1C=CC=C2 Z104495974 [0,0,0,1,0,0|0,0,2]=3 187 B11R2.1 O=C1CCC2=C1C=NC=C2 Z1198181243 [0,0,0,1,0,0|1,0,2]=4 188 B11R2.1 O=C1COC2=C1C=CC=C2 Z57101103 [0,0,0,1,0,0|1,0,1]=3 189 B11R2.1 O=C1COC2=C1C=CN=C2 Z1255373514 [0,0,0,1,0,0|2,0,1]=4 190 B11R2.1 O=C1CSC2=C1C=CC=C2 Z1117911699 [0,0,0,1,0,0|1,0,1]=3 191 B11R2.1 O=C1NCC2=C1C=CC=C2 Z362519344 [0,0,0,1,0,0|1,0,1]=3 192 B11R2.1 O=C1NCC2=C1C=CC=N2 Z1203733001 [0,0,0,1,0,0|2,0,1]=4 193 B11R2.1 O=C1NCC2=C1C=CN=C2 Z1255451661 [0,0,0,1,0,0|2,0,1]=4 194 B11R2.1 O=C1NCC2=C1C=NC=C2 Z2758801175 [0,0,0,1,0,0|2,0,1]=4 195 B11R2.1 O=C1NCC2=C1N=CC=C2 Z1255449267 [0,0,0,1,0,0|2,0,1]=4 196 B11R2.1 O=C1NN=C2N1C=CC=C2 Z56987654 [0,0,0,1,0,0|3,0,0]=4 197 B11R2.1 O=C1NNC2=C1C=CC=C2 Z586248764 [0,0,0,1,0,0|2,0,0]=3 198 B11R2.1 O=C1NNC2=C1C=CC=N2 Z381404338 [0,0,0,1,0,0|3,0,0]=4 199 B11R2.1 O=C1NOC2=C1C=CC=C2 Z1592042113 [0,0,0,1,0,0|2,0,0]=3 200 B11R2.1 O=C1NSC2=C1C=CC=C2 Z56983154 [0,0,0,1,0,0|2,0,0]=3 201 B11R2.1 O=C1NSC2=C1C=CC=N2 Z1551930532 [0,0,0,1,0,0|3,0,0]=4 202 B11R2.1 O=C1OCC2=C1C=CC=C2 Z211309000 [0,0,0,1,0,0|1,0,1]=3 203 B11R2.1 O=C1OCC2=C1N=CC=C2 Z1255428832 [0,0,0,1,0,0|2,0,1]=4 204 B11R2.1 O=C1SNC2=C1C=CC=C2 Z992282928 [0,0,0,1,0,0|2,0,0]=3 205 B11R2.1 SC1=NC=C2N1C=CC=C2 Z57041981 [0,0,0,1,0,0|2,1,0]=4 206 B11R2.20 C1=CC2=C(C=C1)C=CC=C2 Z104506008 [0,0,0,1,0,0|1,0,0]=2 207 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 Z104472854 [0,0,0,1,0,0|2,0,0]=3 208 B11R2.20 C1=CC2=C(C=C1)CCC=C2 Z237493310 [0,0,0,1,0,0|1,0,1]=3 209 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 Z104472852 [0,0,0,1,0,0|1,0,0]=2 210 B11R2.20 C1=CC2=C(C=C1)N=CC=N2 Z104495568 [0,0,0,1,0,0|2,0,0]=3 211 B11R2.20 C1=CC2=C(C=CC=N2)N=C1 Z212045452 [0,0,0,1,0,0|2,0,0]=3 212 B11R2.20 C1=CC2=C(C=CN=C2)N=C1 Z1201618481 [0,0,0,1,0,0|2,0,0]=3 213 B11R2.20 C1=CC2=C(C=NC=C2)N=C1 Z1198330965 [0,0,0,1,0,0|2,0,0]=3 214 B11R2.20 C1=CC2=C(N=C1)N=CC=C2 Z1201618482 [0,0,0,1,0,0|2,0,0]=3 215 B11R2.20 C1=CC2=CN=CC=C2C=N1 Z1255356832 [0,0,0,1,0,0|3,0,0]=4 216 B9R1.12 O=C/C=C/C1=CC=CO1 Z3219926044 [0,0,0,0,1,0|1,0,0]=2 217 B9R1.12 O=CCCC1=CSC=C1 Z993017658 [0,0,0,0,1,0|1,0,2]=4 218 B8R1.2 C=CC1=CC=CC=C1 Z104474664 [2,0,0,0,0,0|0,0,0]=2 219 B8R1.2 C=CC1=NC=CC=C1 Z104495554 [2,0,0,0,0,0|1,0,0]=3 220 B8R1.2 CCC1=CC=CC=C1 Z104473632 [2,0,0,0,0,0|0,0,2]=4 221 B8R1.2 CNC1=CC=CC=C1 Z104472478 [2,0,0,0,0,0|1,0,1]=4 222 B8R1.2 COC1=CC=CC=C1 Z53833865 [2,0,0,0,0,0|1,0,1]=4 223 B8R1.2 Cl[Se]C1=CC=CC=C1 Z1255485131 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.2 N#CC1=CC=CC=C1 Z104473628 [2,0,0,0,0,0|1,0,1]=4 225 B8R1.2 NCC1=CC=CC=C1 Z54748260 [2,0,0,0,0,0|1,0,1]=4 226 B8R1.2 NNC1=CC=CC=C1 Z104472442 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.2 O=CC1=CC=NC=C1 Z57161993 [2,0,0,0,0,0|1,0,0]=3 228 B8R1.2 O=CC1=CN=CC=C1 Z104472124 [2,0,0,0,0,0|1,0,0]=3 229 B8R1.2 O=CC1=CN=CN=C1 Z1013450426 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.2 O=CC1=CN=NC=C1 Z1255435509 [2,0,0,0,0,0|2,0,0]=4 231 B8R1.2 O=CC1=NC=CC=C1 Z104472152 [2,0,0,0,0,0|1,0,0]=3 232 B8R1.2 O=CC1=NC=CN=C1 Z1013412214 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.2 O=CC1=NN=CC=C1 Z1198165301 [2,0,0,0,0,0|2,0,0]=4 234 B8R1.2 OCC1=CC=CC=C1 Z104476418 [2,0,0,0,0,0|0,0,2]=4 235 B10R1.1 CC1=CC=C(C=C1)/C=N/O Z49568558 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [1,1,0,0,0,0|0,0,1]=3 237 B10R1.1 O/N=C/C1=CC=C(C=C1)Br Z49568330 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.1 O/N=C/C1=CC=C(C=C1)Cl Z49568332 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.1 O/N=C/C1=CC=C(C=C1)F Z49568341 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.1 O/N=C/C1=CC=C(C=C1)O Z49568314 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.1 O=C=NC1=CC=C(C=C1)Br Z316172584 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.1 O=C=NC1=CC=C(C=C1)Cl Z104472166 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.1 O=CCC1=CC=C(C=C1)Br Z1079442512 [1,1,0,0,0,0|0,0,1]=3 244 B10R1.1 O=CCC1=CC=C(C=C1)Cl Z993017718 [1,1,0,0,0,0|0,0,1]=3 245 B10R1.1 O=CCC1=CC=C(C=C1)F Z993017752 [1,1,0,0,0,0|0,0,1]=3 246 B10R1.1 O=CNC1=CC=C(C=C1)O Z87002541 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.4 C=CCC1=C(C=CC=C1)O Z104493210 [1,1,0,0,0,0|0,0,1]=3 248 B10R1.4 CC1=C(C=CC=C1)/C=N/O Z49568554 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.4 CC1=C(C=CC=C1)CC=O Z993017618 [1,1,0,0,0,0|0,0,1]=3 250 B10R1.4 O/N=C/C1=C(C=CC=C1)Br Z49568618 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.4 O/N=C/C1=C(C=CC=C1)F Z49568531 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.4 O/N=C/C1=C(C=CC=C1)O Z49568319 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.4 O=CCC1=C(C=CC=C1)Br Z1183459130 [1,1,0,0,0,0|0,0,1]=3 254 B10R1.4 O=CCC1=C(C=CC=C1)F Z993017796 [1,1,0,0,0,0|0,0,1]=3 255 B10R1.10 C=COC1=CC=CC(=C1)C Z1269547004 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.10 NC1=CC(=CC=C1)NC=O Z1203578959 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.10 O=CCC1=CC=CC(=C1)Br Z1079442816 [1,1,0,0,0,0|0,0,1]=3 258 B10R1.10 O=CCC1=CC=CC(=C1)Cl Z993017836 [1,1,0,0,0,0|0,0,1]=3 259 B10R1.10 O=CNC1=CC=CC(=C1)O Z56886391 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [1,1,0,0,0,0|0,0,1]=3 262 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,1,0,0,0,0|0,0,1]=3 263 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [1,1,0,0,0,0|0,0,2]=4 264 B10R1.15 CN(N=O)C1=CC=CC=C1 Z87001980 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.15 CNC(=N)C1=CC=CC=C1 Z2096088186 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.15 CNC(=O)C1=CC=CC=C1 Z32016410 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.15 COC(=O)C1=CC=CC=C1 Z19825577 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 Z56827052 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.15 NNC(=O)C1=CC=CC=C1 Z56926669 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.15 O=C(CCl)C1=CC=CC=C1 Z57834468 [1,1,0,0,0,0|1,0,1]=4 272 B10R1.15 O=C(CO)C1=CC=CC=C1 Z906206792 [1,1,0,0,0,0|0,0,2]=4 273 B10R1.15 O=C(NO)C1=CC=CC=C1 Z56912029 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.15 O=CC(=O)C1=CC=CC=C1 Z1954804411 [1,1,0,0,0,0|0,0,0]=2 275 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.18 CC(=O)NC1=CN=CC=C1 Z31791378 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [1,1,0,0,0,0|0,0,1]=3 280 B10R1.18 NC(=O)CC1=CC=NC=C1 Z234895093 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.18 NC(=O)NC1=NC=CC=C1 Z208358454 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [1,1,0,0,0,0|0,1,1]=4 284 B10R1.18 NC(=S)NC1=CC=CC=C1 Z57474172 [1,1,0,0,0,0|1,1,0]=4 285 B10R1.18 O=C(O)CC1=CC=NC=C1 Z271099418 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.27 C/C(=C\C1=CC=CO1)/C=O Z3061414163 [0,1,0,0,1,0|1,0,0]=3 290 B10R1.29 CN1C=CC=C1/C=C/C=O Z1255493927 [0,1,0,0,1,0|1,0,0]=3 291 B10R1.66 CC(=O)/C=C/C1=CC=CO1 Z57114540 [0,1,0,0,1,0|1,0,0]=3 292 B10R1.66 NC(=O)/C=C/C1=NC=CN1 Z1198261975 [0,1,0,0,1,0|2,0,0]=4 293 B10R1.66 O=C(O)/C=C/C1=CC=CN1 Z1198166880 [0,1,0,0,1,0|1,0,0]=3 294 B10R1.66 O=C(O)/C=C/C1=CC=CO1 Z2311574202 [0,1,0,0,1,0|1,0,0]=3 295 B10R1.66 O=C(O)/C=C/C1=CC=CS1 Z56855126 [0,1,0,0,1,0|1,0,0]=3 296 B10R1.66 O=C(O)/C=C/C1=CN=CS1 Z1198166918 [0,1,0,0,1,0|2,0,0]=4 297 B10R1.66 O=C(O)/C=C/C1=CNC=C1 Z1203733427 [0,1,0,0,1,0|1,0,0]=3 298 B10R1.66 O=C(O)/C=C/C1=CNC=N1 Z2942853595 [0,1,0,0,1,0|2,0,0]=4 299 B10R1.66 O=C(O)/C=C/C1=CNN=C1 Z2670716109 [0,1,0,0,1,0|2,0,0]=4 300 B10R1.66 O=C(O)/C=C/C1=COC=N1 Z2633786305 [0,1,0,0,1,0|2,0,0]=4 301 B10R1.66 O=C(O)/C=C/C1=CSC=C1 Z2417572197 [0,1,0,0,1,0|1,0,0]=3 302 B10R1.66 O=C(O)/C=C/C1=CSC=N1 Z381407308 [0,1,0,0,1,0|2,0,0]=4 303 B10R1.66 O=C(O)/C=C/C1=NC=CN1 Z2488957066 [0,1,0,0,1,0|2,0,0]=4 304 B10R1.66 O=C(O)/C=C/C1=NC=CO1 Z2648955764 [0,1,0,0,1,0|2,0,0]=4 305 B10R1.66 O=C(O)/C=C/C1=NC=CS1 Z381407314 [0,1,0,0,1,0|2,0,0]=4 306 B10R1.66 O=C(O)/C=C/C1=NNC=C1 Z3037424296 [0,1,0,0,1,0|2,0,0]=4 307 B10R1.66 O=[N+]([O-])/C=C/C1=CC=CO1 Z199438876 [0,1,0,0,1,0|2,0,0]=4 308 B12R1.1 CNC/C=C/C1=CC=C(C=C1)Br Z1834223589 [0,2,0,0,0,0|1,0,1]=4 309 B12R1.1 NCC/C=C/C1=CC=C(C=C1)Br Z2651620817 [0,2,0,0,0,0|1,0,1]=4 310 B12R1.1 OC1=CC=C(C=C1)SC/C=C/Cl Z733876456 [0,2,0,0,0,0|1,0,1]=4 311 B12R1.16 C=CCC(=O)C1=CC=C(C=C1)F Z808661950 [0,2,0,0,0,0|1,0,1]=4 312 B12R1.16 CC1=CC=C(C=C1)C(=O)/C=C/[O-] Z199534162 [0,2,0,0,0,0|0,0,1]=3 313 B12R1.16 N#C/C=C(\Cl)/C1=CC=C(C=C1)F Z56943822 [0,2,0,0,0,0|1,0,1]=4 314 B12R1.16 O=C(/C=C/[O-])C1=CC=C(C=C1)Cl Z56943452 [0,2,0,0,0,0|0,0,1]=3 315 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F Z1201619760 [0,2,0,0,0,0|0,0,0]=2 316 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [0,2,0,0,0,0|0,0,2]=4 317 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [0,2,0,0,0,0|0,0,2]=4 318 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [0,2,0,0,0,0|0,0,2]=4 319 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Br Z816034502 [0,2,0,0,0,0|1,0,1]=4 320 B12R1.21 CC(=O)NCC1=CC=C(C=C1)N Z600391558 [0,2,0,0,0,0|1,0,1]=4 321 B12R1.21 CC(=O)NNC1=CC=C(C=C1)F Z30877183 [0,2,0,0,0,0|2,0,0]=4 322 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851512 [0,2,0,0,0,0|0,0,0]=2 323 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [0,2,0,0,0,0|0,0,2]=4 324 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [0,2,0,0,0,0|0,0,2]=4 325 B12R1.21 CC1=CC=C(C=C1)CNC(=O)N Z198194838 [0,2,0,0,0,0|1,0,1]=4 326 B12R1.21 CC1=CC=C(C=C1)OCC(=O)N Z19732046 [0,2,0,0,0,0|1,0,1]=4 327 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [0,2,0,0,0,0|1,0,1]=4 328 B12R1.21 CC1=CC=C(C=C1)SCC(=O)N Z18770000 [0,2,0,0,0,0|1,0,1]=4 329 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [0,2,0,0,0,0|1,0,1]=4 330 B12R1.21 CC1=CN=C(C=C1)/C=C/C(=O)O Z1816507718 [0,2,0,0,0,0|1,0,0]=3 331 B12R1.21 CC1=NC=C(C=C1)/C=C/C(=O)O Z1815157396 [0,2,0,0,0,0|1,0,0]=3 332 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Br Z33545605 [0,2,0,0,0,0|0,0,0]=2 333 B12R1.21 NC(=O)CCC1=CC=C(C=C1)F Z87614992 [0,2,0,0,0,0|0,0,2]=4 334 B12R1.21 NC(=O)CCC1=CC=C(C=C1)N Z414316852 [0,2,0,0,0,0|0,0,2]=4 335 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Br Z104586672 [0,2,0,0,0,0|1,0,1]=4 336 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Cl Z104647358 [0,2,0,0,0,0|1,0,1]=4 337 B12R1.21 NC(=O)CNC1=CC=C(C=C1)I Z104728120 [0,2,0,0,0,0|1,0,1]=4 338 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br Z19725712 [0,2,0,0,0,0|1,0,1]=4 339 B12R1.21 NC(=O)COC1=CC=C(C=C1)F Z19734788 [0,2,0,0,0,0|1,0,1]=4 340 B12R1.21 NC(=O)COC1=CC=C(C=C1)I Z25086979 [0,2,0,0,0,0|1,0,1]=4 341 B12R1.21 NC(=O)COC1=CC=C(C=C1)N Z239127428 [0,2,0,0,0,0|1,0,1]=4 342 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [0,2,0,0,0,0|1,0,1]=4 343 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Br Z18744574 [0,2,0,0,0,0|1,0,1]=4 344 B12R1.21 NC(=O)CSC1=CC=C(C=C1)F Z16034821 [0,2,0,0,0,0|1,0,1]=4 345 B12R1.21 NC(=O)NCC1=CC=C(C=C1)F Z198194834 [0,2,0,0,0,0|1,0,1]=4 346 B12R1.21 NC(=O)NCC1=CC=C(C=C1)N Z600391988 [0,2,0,0,0,0|1,0,1]=4 347 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O Z56762319 [0,2,0,0,0,0|0,0,0]=2 348 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [0,2,0,0,0,0|0,0,2]=4 349 B12R1.21 NC1=CC=C(C=C1)OCC(=O)O Z3241275736 [0,2,0,0,0,0|1,0,1]=4 350 B12R1.21 NC1=NC=C(C=C1)/C=C/C(=O)O Z1374884316 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Br Z2237493681 [0,2,0,0,0,0|0,0,0]=2 352 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Cl Z56989206 [0,2,0,0,0,0|0,0,0]=2 353 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)F Z2942851074 [0,2,0,0,0,0|0,0,0]=2 354 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)O Z56911963 [0,2,0,0,0,0|0,0,0]=2 355 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)Cl Z1962225677 [0,2,0,0,0,0|1,0,0]=3 356 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)F Z2949503127 [0,2,0,0,0,0|1,0,0]=3 357 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [0,2,0,0,0,0|0,0,2]=4 358 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [0,2,0,0,0,0|0,0,2]=4 359 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [0,2,0,0,0,0|0,0,2]=4 360 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [0,2,0,0,0,0|0,0,2]=4 361 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Br Z274534708 [0,2,0,0,0,0|1,0,1]=4 362 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [0,2,0,0,0,0|1,0,1]=4 363 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [0,2,0,0,0,0|1,0,1]=4 364 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br Z56812736 [0,2,0,0,0,0|1,0,1]=4 365 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl Z57181989 [0,2,0,0,0,0|1,0,1]=4 366 B12R1.21 O=C(O)COC1=CC=C(C=C1)F Z56978034 [0,2,0,0,0,0|1,0,1]=4 367 B12R1.21 O=C(O)COC1=CC=C(C=C1)I Z56943814 [0,2,0,0,0,0|1,0,1]=4 368 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [0,2,0,0,0,0|1,0,1]=4 369 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Br Z55903477 [0,2,0,0,0,0|1,0,1]=4 370 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Cl Z55179956 [0,2,0,0,0,0|1,0,1]=4 371 B12R1.21 O=C(O)CSC1=CC=C(C=C1)F Z55903650 [0,2,0,0,0,0|1,0,1]=4 372 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [0,2,0,0,0,0|1,0,1]=4 373 B12R1.21 O=[N+]([O-])/C=C/C1=CC=C(C=C1)Cl Z208331660 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.49 C/C(=C\C1=CC=C(C=C1)Cl)/C=O Z1251359146 [0,2,0,0,0,0|0,0,0]=2 375 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)Br Z381016676 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)C Z440633654 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)Cl Z440633664 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)F Z424770410 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.49 CC1=CC=C(C=C1)CC(Cl)C=O Z982126370 [0,2,0,0,0,0|0,0,2]=4 380 B12R1.69 O=C/C=C/C1=C(C=C(C=C1)F)F Z1198173301 [0,2,0,0,0,0|0,0,0]=2 381 B12R1.69 O=CCCC1=C(C=C(C=C1)Cl)Cl Z993017674 [0,2,0,0,0,0|0,0,2]=4 382 B12R1.69 O=CCCC1=C(C=C(C=C1)F)F Z993017790 [0,2,0,0,0,0|0,0,2]=4 383 B12R1.71 CCC1=CC=C(C=C1)/C=C/CO Z1913661008 [0,2,0,0,0,0|0,0,2]=4 384 B12R1.71 CCC1=CC=C(C=C1)CCC=O Z993017820 [0,2,0,0,0,0|0,0,2]=4 385 B12R1.71 COC1=CC=C(C=C1)CCC=O Z1079442590 [0,2,0,0,0,0|0,0,2]=4 386 B12R1.71 COC1=CC=C(C=C1)SCC=O Z854102788 [0,2,0,0,0,0|1,0,1]=4 387 B12R1.71 N#CC1=CC=C(C=C1)/C=C/C=O Z2240804591 [0,2,0,0,0,0|0,0,0]=2 388 B12R1.71 N#CC1=CC=C(C=C1)CCC=O Z1198182710 [0,2,0,0,0,0|0,0,2]=4 389 B12R1.385 O=C/C=C/C1=CC(=C(C=C1)Cl)Cl Z1269224361 [0,2,0,0,0,0|0,0,0]=2 390 B12R1.385 O=C/C=C/C1=CC(=C(C=C1)F)F Z1255405037 [0,2,0,0,0,0|0,0,0]=2 391 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)Cl Z993017630 [0,2,0,0,0,0|0,0,2]=4 392 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)F Z1198182696 [0,2,0,0,0,0|0,0,2]=4 393 B12R1.385 O=CCCC1=CC(=C(C=C1)F)F Z1198182685 [0,2,0,0,0,0|0,0,2]=4 394 B12R1.385 OC/C=C/C1=CC(=C(C=C1)Cl)Cl Z1269240197 [0,2,0,0,0,0|0,0,2]=4 395 B12R1.30 C/C(=N\NC=O)/C1=CN=CC=C1 Z49645707 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.30 C/C(=N\NC=O)/C1=NC=CC=C1 Z49645705 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.30 C=CCCC(=O)C1=CC=CC=C1 Z406376458 [0,2,0,0,0,0|1,0,1]=4 398 B12R1.34 C/C(=C(/N)\C1=CC=CC=C1)/C#N Z56759567 [0,2,0,0,0,0|1,0,1]=4 399 B12R1.34 C=CC(=O)N(C)C1=CC=CC=C1 Z440633576 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.34 CCC(=O)C(=O)C1=CC=CC=C1 Z1251352835 [0,2,0,0,0,0|1,0,1]=4 401 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748396 [0,2,0,0,0,0|0,0,0]=2 402 B12R1.107 C/C(=C\C(=O)O)/C1=CC=NC=C1 Z352748124 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.107 C/C(=C\C(=O)O)/C1=CN=CC=C1 Z352748104 [0,2,0,0,0,0|1,0,0]=3 404 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 Z359504772 [0,2,0,0,0,0|1,0,1]=4 405 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 Z57157128 [0,2,0,0,0,0|1,0,1]=4 406 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [0,2,0,0,0,0|0,0,2]=4 407 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [0,2,0,0,0,0|0,0,2]=4 408 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 Z198194342 [0,2,0,0,0,0|1,0,1]=4 409 B12R1.107 CN(CC(=O)N)C1=CC=CC=C1 Z54747686 [0,2,0,0,0,0|1,0,1]=4 410 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [0,2,0,0,0,0|1,0,1]=4 411 B12R1.107 N=C(N)NC(=O)C1=CC=CC=C1 Z1198149259 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [0,2,0,0,0,0|0,0,2]=4 413 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [0,2,0,0,0,0|0,0,2]=4 414 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [0,2,0,0,0,0|0,0,2]=4 415 B12R1.107 O=C(O)/C=C(\F)/C1=CN=CC=C1 Z4602486084 [0,2,0,0,0,0|1,0,0]=3 416 B12R1.107 O=C(O)/C=C(\I)/C1=CC=CC=C1 Z3379426714 [0,2,0,0,0,0|0,0,0]=2 417 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [0,2,0,0,0,0|0,0,2]=4 418 B12R1.107 O=C(O)NC(=O)C1=CC=CC=C1 Z56928966 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.308 C=CCC(=O)C1=C(C=CC=C1)F Z1082405332 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.121 COC1=C(C=CC=C1)/C=C/C=O Z2573655488 [0,2,0,0,0,0|0,0,0]=2 421 B12R1.121 COC1=C(C=CC=C1)CCC=O Z993017838 [0,2,0,0,0,0|0,0,2]=4 422 B12R1.125 CC(=O)/C=C/C1=C(C=CC=C1)F Z1217226767 [0,2,0,0,0,0|0,0,0]=2 423 B12R1.125 CC(=O)CCC1=C(C=CC=C1)F Z406376954 [0,2,0,0,0,0|0,0,2]=4 424 B12R1.125 CC(=O)NCC1=C(C=CC=C1)F Z29857733 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.125 CC(=O)NCC1=C(C=CC=C1)N Z3711224127 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.125 CC1=C(C=CC=C1)/C=C/C(=O)O Z2417574586 [0,2,0,0,0,0|0,0,0]=2 427 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O Z317037960 [0,2,0,0,0,0|0,0,2]=4 428 B12R1.125 CC1=C(C=CC=C1)NCC(=O)N Z104590676 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.125 CC1=C(C=CC=C1)OCC(=O)N Z19733874 [0,2,0,0,0,0|1,0,1]=4 430 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O Z56820406 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.125 CC1=C(C=CC=C1)SCC(=O)O Z56870728 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.125 CC1=C(C=CC=N1)/C=C/C(=O)O Z2235790871 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.125 CC1=C(C=CN=C1)/C=C/C(=O)O Z2235790666 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.125 CC1=C(N=CC=C1)/C=C/C(=O)O Z2327040014 [0,2,0,0,0,0|1,0,0]=3 435 B12R1.125 NC(=O)CCC1=C(C=CC=C1)Br Z741559968 [0,2,0,0,0,0|0,0,2]=4 436 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N Z414316848 [0,2,0,0,0,0|0,0,2]=4 437 B12R1.125 NC(=O)CCC1=C(C=CC=C1)O Z371352778 [0,2,0,0,0,0|0,0,2]=4 438 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Br Z137588472 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Cl Z104528166 [0,2,0,0,0,0|1,0,1]=4 440 B12R1.125 NC(=O)CNC1=C(C=CC=C1)I Z133437412 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.125 NC(=O)COC1=C(C=CC=C1)Br Z17829253 [0,2,0,0,0,0|1,0,1]=4 442 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl Z19726626 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.125 NC(=O)COC1=C(C=CC=C1)F Z19724798 [0,2,0,0,0,0|1,0,1]=4 444 B12R1.125 NC(=O)COC1=C(C=CC=C1)I Z406416164 [0,2,0,0,0,0|1,0,1]=4 445 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Br Z149386624 [0,2,0,0,0,0|1,0,1]=4 446 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Cl Z18459622 [0,2,0,0,0,0|1,0,1]=4 447 B12R1.125 NC(=O)CSC1=C(C=CC=C1)N Z57332466 [0,2,0,0,0,0|1,0,1]=4 448 B12R1.125 NC(=O)NCC1=C(C=CC=C1)Cl Z198194806 [0,2,0,0,0,0|1,0,1]=4 449 B12R1.125 NC(=O)NCC1=C(C=CC=C1)F Z198194842 [0,2,0,0,0,0|1,0,1]=4 450 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br Z2315575361 [0,2,0,0,0,0|0,0,0]=2 451 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl Z57264035 [0,2,0,0,0,0|0,0,0]=2 452 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F Z2573655240 [0,2,0,0,0,0|0,0,0]=2 453 B12R1.125 O=C(O)/C=C/C1=C(N=CC=C1)Br Z1269170340 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.125 O=C(O)/C=C/C1=C(N=CC=C1)Cl Z1201624228 [0,2,0,0,0,0|1,0,0]=3 455 B12R1.125 O=C(O)/C=C/C1=CN=CNC1=O Z2633967605 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br Z406704244 [0,2,0,0,0,0|0,0,2]=4 457 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl Z56943366 [0,2,0,0,0,0|0,0,2]=4 458 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F Z57991059 [0,2,0,0,0,0|0,0,2]=4 459 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [0,2,0,0,0,0|0,0,2]=4 460 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl Z274534698 [0,2,0,0,0,0|1,0,1]=4 461 B12R1.125 O=C(O)COC1=C(C=CC=C1)Br Z111834298 [0,2,0,0,0,0|1,0,1]=4 462 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl Z57042068 [0,2,0,0,0,0|1,0,1]=4 463 B12R1.125 O=C(O)COC1=C(C=CC=C1)F Z56823442 [0,2,0,0,0,0|1,0,1]=4 464 B12R1.125 O=C(O)COC1=C(C=CC=C1)O Z56869464 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Br Z56827233 [0,2,0,0,0,0|1,0,1]=4 466 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Cl Z55903470 [0,2,0,0,0,0|1,0,1]=4 467 B12R1.125 O=C(O)CSC1=C(C=CC=C1)F Z55903942 [0,2,0,0,0,0|1,0,1]=4 468 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O Z905204160 [0,2,0,0,0,0|1,0,1]=4 469 B12R1.267 O=CCCCC1=C(C=CC=C1)Br Z1233207918 [0,2,0,0,0,0|0,0,2]=4 470 B12R1.267 O=CCCCC1=C(C=CC=C1)F Z1233207919 [0,2,0,0,0,0|0,0,2]=4 471 B12R1.371 C=CC(=O)NC1=C(C=CC=C1)C Z440633758 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.371 C=CC(=O)NC1=C(C=CC=C1)Cl Z440633680 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.371 C=CC(=O)NC1=C(C=CC=C1)F Z295390598 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.371 O=CC(Cl)CC1=C(C=CC=C1)Cl Z982126354 [0,2,0,0,0,0|0,0,2]=4 475 B12R1.1631 O=CCCC1=C(C=CC=C1Cl)Cl Z993017858 [0,2,0,0,0,0|0,0,2]=4 476 B12R1.1631 O=CCCC1=C(C=CC=C1Cl)F Z993017832 [0,2,0,0,0,0|0,0,2]=4 477 B12R1.50 C=CC(=O)NC1=CC=CC(=C1)Br Z381016842 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.50 C=CC(=O)NC1=CC=CC(=C1)C Z440633644 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.50 C=CC(=O)NC1=CC=CC(=C1)Cl Z440633660 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.50 C=CC(=O)NC1=CC=CC(=C1)F Z440633662 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.100 O=C/C=C/C1=CC(=CC(=C1)F)F Z1511755198 [0,2,0,0,0,0|0,0,0]=2 482 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [0,2,0,0,0,0|0,0,2]=4 483 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [0,2,0,0,0,0|0,0,2]=4 484 B12R1.226 CC(=O)NCC1=CC(=CC=C1)Br Z340632658 [0,2,0,0,0,0|1,0,1]=4 485 B12R1.226 CC(=O)NCC1=CC(=CC=C1)F Z340527618 [0,2,0,0,0,0|1,0,1]=4 486 B12R1.226 CC(=O)NNC1=CC(=CC=C1)C Z30552180 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.226 CC1=CC(=CC=C1)/C=C/C(=O)O Z2942851787 [0,2,0,0,0,0|0,0,0]=2 488 B12R1.226 CC1=CC(=CC=C1)CCC(=O)N Z194976514 [0,2,0,0,0,0|0,0,2]=4 489 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [0,2,0,0,0,0|0,0,2]=4 490 B12R1.226 CC1=CC(=CC=C1)NCC(=O)N Z104589324 [0,2,0,0,0,0|1,0,1]=4 491 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N Z19732960 [0,2,0,0,0,0|1,0,1]=4 492 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O Z56899056 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.226 CC1=CC(=CC=C1)SCC(=O)O Z778642574 [0,2,0,0,0,0|1,0,1]=4 494 B12R1.226 CC1=CC(=CN=C1)/C=C/C(=O)O Z1473962891 [0,2,0,0,0,0|1,0,0]=3 495 B12R1.226 NC(=O)CCC1=CC(=CC=C1)N Z414316850 [0,2,0,0,0,0|0,0,2]=4 496 B12R1.226 NC(=O)CNC1=CC(=CC=C1)Br Z104587998 [0,2,0,0,0,0|1,0,1]=4 497 B12R1.226 NC(=O)CNC1=CC(=CC=C1)F Z104640682 [0,2,0,0,0,0|1,0,1]=4 498 B12R1.226 NC(=O)COC1=CC(=CC=C1)F Z19755608 [0,2,0,0,0,0|1,0,1]=4 499 B12R1.226 NC(=O)COC1=CC(=CC=C1)I Z25076202 [0,2,0,0,0,0|1,0,1]=4 500 B12R1.226 NC(=O)COC1=CC(=CC=C1)N Z235344273 [0,2,0,0,0,0|1,0,1]=4 501 B12R1.226 NC(=O)COC1=CC(=CC=C1)O Z381415558 [0,2,0,0,0,0|1,0,1]=4 502 B12R1.226 NC(=O)NCC1=CC(=CC=C1)F Z362629554 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O Z2942853438 [0,2,0,0,0,0|0,0,0]=2 504 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Br Z2312942093 [0,2,0,0,0,0|0,0,0]=2 505 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl Z2573655238 [0,2,0,0,0,0|0,0,0]=2 506 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F Z2935925467 [0,2,0,0,0,0|0,0,0]=2 507 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O Z247613734 [0,2,0,0,0,0|0,0,0]=2 508 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)F Z2587702979 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)O Z1518653071 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Br Z1269228386 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Cl Z1255503510 [0,2,0,0,0,0|1,0,0]=3 512 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)O Z2633787192 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.226 O=C(O)/C=C/C1=NC(=CC=C1)Cl Z1255503511 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.226 O=C(O)C#CC1=CC(=CC=C1)Cl Z1143242523 [0,2,0,0,0,0|0,0,2]=4 515 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [0,2,0,0,0,0|0,0,2]=4 516 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [0,2,0,0,0,0|0,0,2]=4 517 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [0,2,0,0,0,0|0,0,2]=4 518 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl Z274534700 [0,2,0,0,0,0|1,0,1]=4 519 B12R1.226 O=C(O)COC1=CC(=CC=C1)Br Z56812737 [0,2,0,0,0,0|1,0,1]=4 520 B12R1.226 O=C(O)COC1=CC(=CC=C1)Cl Z57008935 [0,2,0,0,0,0|1,0,1]=4 521 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Br Z255149890 [0,2,0,0,0,0|1,0,1]=4 522 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Cl Z994465872 [0,2,0,0,0,0|1,0,1]=4 523 B12R1.226 O=C(O)CSC1=CC(=CC=C1)F Z1198220671 [0,2,0,0,0,0|1,0,1]=4 524 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [0,2,0,0,0,0|1,0,1]=4 525 B12R1.226 O=[N+]([O-])/C=C/C1=CC(=CC=C1)I Z56757676 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.382 COC1=CC(=CC=C1)CCC=O Z993017768 [0,2,0,0,0,0|0,0,2]=4 527 B12R1.8 N#CCC/C=C/C1=CC=CC=C1 Z3300796892 [0,2,0,0,0,0|1,0,1]=4 528 B12R1.8 O=CCCCOC1=CC=CC=C1 Z993017686 [0,2,0,0,0,0|0,0,2]=4 529 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 Z1266856412 [0,2,0,0,0,0|0,0,2]=4 530 B12R1.27 C#CC(=O)NCC1=CC=CC=C1 Z1509142729 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 Z1255365960 [0,2,0,0,0,0|1,0,1]=4 532 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 Z1198183530 [0,2,0,0,0,0|0,0,1]=3 533 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 Z56757233 [0,2,0,0,0,0|1,0,1]=4 534 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [0,2,0,0,0,0|0,0,2]=4 535 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [0,2,0,0,0,0|0,0,2]=4 536 B12R1.27 CNC(=O)COC1=CC=CC=C1 Z19735428 [0,2,0,0,0,0|1,0,1]=4 537 B12R1.27 CNC(=O)CSC1=CC=CC=C1 Z19750829 [0,2,0,0,0,0|1,0,1]=4 538 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [0,2,0,0,0,0|1,0,1]=4 539 B12R1.27 COC(=O)/C=C/C1=CC=CC=C1 Z19782655 [0,2,0,0,0,0|0,0,0]=2 540 B12R1.27 COC(=O)/C=C/C1=CC=NC=C1 Z3226989482 [0,2,0,0,0,0|1,0,0]=3 541 B12R1.27 COC(=O)/C=C/C1=CN=CN=C1 Z2177030874 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.27 COC(=O)/C=C/C1=NC=NC=C1 Z2637047870 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [0,2,0,0,0,0|0,0,2]=4 544 B12R1.27 COC(=O)CNC1=CC=CC=C1 Z1250132387 [0,2,0,0,0,0|1,0,1]=4 545 B12R1.27 COC(=O)NNC1=CC=CC=C1 Z56755853 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [0,2,0,0,0,0|0,0,2]=4 547 B12R1.27 NCC(=O)NCC1=CC=CC=C1 Z398557160 [0,2,0,0,0,0|1,0,1]=4 548 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [0,2,0,0,0,0|1,0,1]=4 549 B12R1.27 NNC(=O)CNC1=CC=CC=C1 Z56886393 [0,2,0,0,0,0|1,0,1]=4 550 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [0,2,0,0,0,0|0,0,2]=4 551 B12R1.27 O=C(CCl)COC1=CC=CC=C1 Z1255416714 [0,2,0,0,0,0|1,0,1]=4 552 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 Z56896328 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.32 CNC/C(=C/C1=CC=CC=C1)/C Z1137726270 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.32 O=C(/C=N/O)NC1=CC=CC=C1 Z56871811 [0,2,0,0,0,0|1,0,1]=4 556 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [0,2,0,0,0,0|0,0,2]=4 557 B12R1.252 CC(=O)NNCC1=CC=CC=C1 Z1726022904 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.252 N=C(N)N/N=C/C1=CC=CC=C1 Z56791605 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [0,2,0,0,0,0|0,0,2]=4 560 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [0,2,0,0,0,0|0,0,2]=4 561 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [0,2,0,0,0,0|0,0,2]=4 562 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [0,2,0,0,0,0|0,0,2]=4 563 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [0,2,0,0,0,0|0,0,2]=4 564 B12R1.252 NC(=O)N/N=C/C1=CN=CC=C1 Z49560577 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [0,2,0,0,0,0|0,0,2]=4 566 B12R1.252 NC(=O)NOCC1=CC=CC=C1 Z56787772 [0,2,0,0,0,0|1,0,1]=4 567 B12R1.252 NC(=S)N/N=C/C1=CC=CC=C1 Z49561493 [0,2,0,0,0,0|1,1,0]=4 568 B12R1.252 O=C(O)/C=C/SC1=CC=CC=C1 Z104378002 [0,2,0,0,0,0|0,0,0]=2 569 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 Z976639296 [0,2,0,0,0,0|0,0,2]=4 570 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [0,2,0,0,0,0|0,0,2]=4 571 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,2,0,0,0,0|0,0,2]=4 572 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [0,2,0,0,0,0|0,0,2]=4 573 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [0,2,0,0,0,0|0,0,2]=4 574 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [0,2,0,0,0,0|0,0,2]=4 575 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O Z2980228149 [0,2,0,0,0,0|0,0,0]=2 576 B12R1.43 C/C(=C\C1=CC=NC=C1)/C(=O)O Z2466682039 [0,2,0,0,0,0|1,0,0]=3 577 B12R1.43 C/C(=C\C1=CN=CC=C1)/C(=O)O Z2467131746 [0,2,0,0,0,0|1,0,0]=3 578 B12R1.43 C/C(=C\C1=NC=CC=C1)/C(=O)O Z2467234655 [0,2,0,0,0,0|1,0,0]=3 579 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [0,2,0,0,0,0|0,0,2]=4 580 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [0,2,0,0,0,0|0,0,2]=4 581 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [0,2,0,0,0,0|1,0,1]=4 582 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [0,2,0,0,0,0|1,0,1]=4 583 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [0,2,0,0,0,0|1,0,1]=4 584 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.43 CN(CC1=CC=CC=C1)C(=O)N Z198194348 [0,2,0,0,0,0|1,0,1]=4 586 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [0,2,0,0,0,0|0,0,2]=4 587 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,2,0,0,0,0|0,0,2]=4 588 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,2,0,0,0,0|0,0,2]=4 589 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,2,0,0,0,0|0,0,2]=4 590 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,2,0,0,0,0|0,0,2]=4 591 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,2,0,0,0,0|0,0,2]=4 592 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,2,0,0,0,0|0,0,2]=4 593 B12R1.43 O=C(O)/C(=C/C1=CN=CC=C1)/F Z2081677235 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [0,2,0,0,0,0|0,0,1]=3 595 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,2,0,0,0,0|0,0,2]=4 597 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,2,0,0,0,0|0,0,2]=4 598 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,2,0,0,0,0|0,0,2]=4 599 B12R1.118 CC/C(=C\C1=CN=CC=C1)/C=O Z2680496861 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.118 COC(C=O)CC1=CC=CC=C1 Z1511872212 [0,2,0,0,0,0|0,0,2]=4 601 B12R1.118 N#CC(=CC1=CC=CC=C1)C#N Z44299997 [0,2,0,0,0,0|1,0,1]=4 602 B12R1.194 CC(C)(C=O)CC1=CC=CC=C1 Z1188488760 [0,2,0,0,0,0|0,0,2]=4 603 B12R1.194 CC(C)(C=O)OC1=CC=CC=C1 Z1511766557 [0,2,0,0,0,0|1,0,1]=4 604 B12R1.891 NS(=O)(=O)/C=C/C1=CC=CC=C1 Z45415579 [0,2,0,0,0,0|1,0,0]=3 605 B12R1.891 O=S(=O)(F)/C=C/C1=CC=CC=C1 Z1999520401 [0,2,0,0,0,0|1,0,0]=3 606 B10R1.30 CC1=C(C=C(C=C1)Br)C=O Z871801782 [0,0,1,1,0,0|1,0,1]=4 607 B10R1.30 CC1=C(C=C(C=C1)Cl)C=O Z871801780 [0,0,1,1,0,0|1,0,1]=4 608 B10R1.30 CC1=C(C=C(C=C1)F)C=O Z1080470282 [0,0,1,1,0,0|1,0,1]=4 609 B10R1.30 CC1=CC(=C(C=C1)Br)C=O Z871833034 [0,0,1,1,0,0|1,0,1]=4 610 B10R1.30 CC1=CC(=C(C=C1)C)C=O Z104479610 [0,0,1,1,0,0|0,0,2]=4 611 B10R1.30 CC1=CC(=C(C=C1)Cl)C=O Z871801784 [0,0,1,1,0,0|1,0,1]=4 612 B10R1.30 CC1=CC(=C(C=C1)F)C=O Z732814056 [0,0,1,1,0,0|1,0,1]=4 613 B10R1.30 CC1=CC(=C(C=C1)O)C=O Z274774390 [0,0,1,1,0,0|1,0,1]=4 614 B10R1.30 NC1=C(C=C(C=C1)Br)C=O Z1269131915 [0,0,1,1,0,0|2,0,0]=4 615 B10R1.30 O=CC1=C(C=CC(=C1)Br)Br Z385370000 [0,0,1,1,0,0|2,0,0]=4 616 B10R1.30 O=CC1=C(C=CC(=C1)Br)Cl Z871801788 [0,0,1,1,0,0|2,0,0]=4 617 B10R1.30 O=CC1=C(C=CC(=C1)Br)F Z104482596 [0,0,1,1,0,0|2,0,0]=4 618 B10R1.30 O=CC1=C(C=CC(=C1)Br)I Z1269213434 [0,0,1,1,0,0|2,0,0]=4 619 B10R1.30 O=CC1=C(C=CC(=C1)Br)O Z57313901 [0,0,1,1,0,0|2,0,0]=4 620 B10R1.30 O=CC1=C(C=CC(=C1)Cl)Br Z871833038 [0,0,1,1,0,0|2,0,0]=4 621 B10R1.30 O=CC1=C(C=CC(=C1)Cl)Cl Z871801786 [0,0,1,1,0,0|2,0,0]=4 622 B10R1.30 O=CC1=C(C=CC(=C1)Cl)F Z819785594 [0,0,1,1,0,0|2,0,0]=4 623 B10R1.30 O=CC1=C(C=CC(=C1)Cl)I Z1269163931 [0,0,1,1,0,0|2,0,0]=4 624 B10R1.30 O=CC1=C(C=CC(=C1)Cl)O Z57772439 [0,0,1,1,0,0|2,0,0]=4 625 B10R1.30 O=CC1=C(C=CC(=C1)F)Br Z1079442476 [0,0,1,1,0,0|2,0,0]=4 626 B10R1.30 O=CC1=C(C=CC(=C1)F)Cl Z1201622451 [0,0,1,1,0,0|2,0,0]=4 627 B10R1.30 O=CC1=C(C=CC(=C1)F)F Z385369882 [0,0,1,1,0,0|2,0,0]=4 628 B10R1.30 O=CC1=C(C=CC(=C1)F)O Z415638796 [0,0,1,1,0,0|2,0,0]=4 629 B10R1.30 O=CC1=C(C=CC(=C1)I)Br Z1269223795 [0,0,1,1,0,0|2,0,0]=4 630 B10R1.30 O=CC1=C(C=CC(=C1)I)Cl Z1269146293 [0,0,1,1,0,0|2,0,0]=4 631 B10R1.30 O=CC1=C(C=CC(=C1)O)Br Z1269171271 [0,0,1,1,0,0|2,0,0]=4 632 B10R1.30 O=CC1=C(C=CC(=C1)O)Cl Z1198174868 [0,0,1,1,0,0|2,0,0]=4 633 B10R1.30 O=CC1=C(C=CC(=C1)O)O Z586251264 [0,0,1,1,0,0|2,0,0]=4 634 B10R1.332 NC1=CC=C(C(=O)C=C1)O Z1203578162 [0,0,1,1,0,0|2,0,0]=4 635 B10R1.20 C=CC1=C(C=CC=N1)C=O Z1198169175 [0,0,1,1,0,0|2,0,0]=4 636 B10R1.172 C#CC1=CC=CC(=C1)C=O Z1201623414 [0,0,1,1,0,0|0,0,2]=4 637 B10R1.172 C=CC1=CC(=CN=C1)C=O Z4958191467 [0,0,1,1,0,0|1,0,0]=3 638 B10R1.172 C=CC1=NC=CC(=C1)C=O Z1618142690 [0,0,1,1,0,0|1,0,0]=3 639 B10R1.172 CCC1=CC(=CC=C1)C=O Z1198218859 [0,0,1,1,0,0|0,0,2]=4 640 B10R1.172 CNC1=CC(=CC=C1)C=O Z1203829743 [0,0,1,1,0,0|1,0,1]=4 641 B10R1.172 COC1=CC(=CC=C1)C=O Z53836050 [0,0,1,1,0,0|1,0,1]=4 642 B10R1.172 CSC1=CC(=CC=C1)C=O Z1198235179 [0,0,1,1,0,0|1,0,1]=4 643 B10R1.172 N#CC1=CC=CC(=C1)C=O Z210802450 [0,0,1,1,0,0|1,0,1]=4 644 B10R1.172 NCC1=CC(=CC=C1)C=O Z3481427925 [0,0,1,1,0,0|1,0,1]=4 645 B10R1.172 O=CC1=CC=CC(=C1)CBr Z1201623840 [0,0,1,1,0,0|1,0,1]=4 646 B10R1.172 O=CC1=CC=CC(=C1)CCl Z1205658947 [0,0,1,1,0,0|1,0,1]=4 647 B10R1.172 O=CC1=CC=CC(=C1)CF Z1511848007 [0,0,1,1,0,0|1,0,1]=4 648 B10R2.7 C1=CC2=C(C=C1)CC=C2 Z104476162 [1,0,0,1,0,0|0,0,1]=3 649 B10R2.7 C1=CC2=C(C=C1)NC=C2 Z57833933 [1,0,0,1,0,0|1,0,0]=3 650 B10R2.7 C1=CC2=C(C=C1)NC=N2 Z57069879 [1,0,0,1,0,0|2,0,0]=4 651 B10R2.7 C1=CC2=C(C=C1)NN=C2 Z276614452 [1,0,0,1,0,0|2,0,0]=4 652 B10R2.7 C1=CC2=C(C=C1)OC=C2 Z56347207 [1,0,0,1,0,0|0,0,1]=3 653 B10R2.7 C1=CC2=C(C=C1)ON=C2 Z220335556 [1,0,0,1,0,0|1,0,1]=4 654 B10R2.7 C1=CC2=C(C=C1)SC=C2 Z370711590 [1,0,0,1,0,0|0,1,0]=3 655 B10R2.7 C1=CC2=C(C=C1)SC=N2 Z104472964 [1,0,0,1,0,0|1,1,0]=4 656 B10R2.7 C1=CC2=C(C=CN2)C=N1 Z1079456082 [1,0,0,1,0,0|2,0,0]=4 657 B10R2.7 C1=CC2=C(C=CO2)N=C1 Z2831987589 [1,0,0,1,0,0|1,0,1]=4 658 B10R2.7 C1=CC2=C(C=CS2)C=N1 Z810507710 [1,0,0,1,0,0|1,1,0]=4 659 B10R2.7 C1=CC2=C(C=N1)NC=C2 Z871773918 [1,0,0,1,0,0|2,0,0]=4 660 B10R2.7 C1=CC2=C(N=C1)NC=C2 Z271099378 [1,0,0,1,0,0|2,0,0]=4 661 B10R2.7 C1=CC2=CN=CN2C=C1 Z1124125455 [1,0,0,1,0,0|2,0,0]=4 662 B10R2.7 C1=CC2=NC=CN2C=C1 Z838912682 [1,0,0,1,0,0|2,0,0]=4 663 B10R2.7 C1=CNC2=CC=NC2=C1 Z1925930568 [1,0,0,1,0,0|2,0,0]=4 664 B12R2.24 BrC1=CC2=C(C=C1)C=NC=C2 Z1258567795 [0,1,0,1,0,0|2,0,0]=4 665 B12R2.24 BrC1=CC2=C(C=C1)N=CC=C2 Z732220500 [0,1,0,1,0,0|1,0,0]=3 666 B12R2.24 BrC1=CC2=C(C=C1)N=CC=N2 Z1262255201 [0,1,0,1,0,0|2,0,0]=4 667 B12R2.24 BrC1=CC2=C(C=C1)N=CN=C2 Z1263714006 [0,1,0,1,0,0|2,0,0]=4 668 B12R2.24 BrC1=CC2=C(C=CC=C2)C=C1 Z166622678 [0,1,0,1,0,0|1,0,0]=3 669 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 Z337707764 [0,1,0,1,0,0|1,0,0]=3 670 B12R2.24 BrC1=NC2=C(C=CC=C2)C=N1 Z1269157598 [0,1,0,1,0,0|2,0,0]=4 671 B12R2.24 BrC1=NC2=C(C=CC=C2)N=C1 Z979455958 [0,1,0,1,0,0|2,0,0]=4 672 B12R2.24 BrC1=NN=C2C=CC=CC2=C1 Z1269157470 [0,1,0,1,0,0|2,0,0]=4 673 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 Z1201624992 [0,1,0,1,0,0|2,0,0]=4 674 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 Z277960616 [0,1,0,1,0,0|1,0,0]=3 675 B12R2.24 CC1=CC2=C(C=CC=C2)C=C1 Z104476894 [0,1,0,1,0,0|1,0,0]=3 676 B12R2.24 CC1=CC2=C(C=CC=C2)N=C1 Z1217215047 [0,1,0,1,0,0|1,0,0]=3 677 B12R2.24 CC1=CC2=C(C=CC=N2)N=C1 Z1255447010 [0,1,0,1,0,0|2,0,0]=4 678 B12R2.24 CC1=CC2=C(C=CN=C2)C=C1 Z1198320696 [0,1,0,1,0,0|2,0,0]=4 679 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 Z56926563 [0,1,0,1,0,0|1,0,0]=3 680 B12R2.24 CC1=NC2=C(C=CC=C2)N=C1 Z1255423472 [0,1,0,1,0,0|2,0,0]=4 681 B12R2.24 CC1=NC2=C(C=CC=N2)C=C1 Z1192378575 [0,1,0,1,0,0|2,0,0]=4 682 B12R2.24 CC1=NC=C2C=CC=CC2=C1 Z1255419276 [0,1,0,1,0,0|2,0,0]=4 683 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 Z56791123 [0,1,0,1,0,0|2,0,0]=4 684 B12R2.24 ClC1=CC2=C(C=C1)C=NC=C2 Z1198267117 [0,1,0,1,0,0|2,0,0]=4 685 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 Z425469218 [0,1,0,1,0,0|1,0,0]=3 686 B12R2.24 ClC1=CC2=C(C=CC=C2)C=C1 Z1255485910 [0,1,0,1,0,0|1,0,0]=3 687 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 Z1198150534 [0,1,0,1,0,0|2,0,0]=4 688 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 Z1198266697 [0,1,0,1,0,0|2,0,0]=4 689 B12R2.24 ClC1=NC2=C(C=CC=C2)N=C1 Z240126804 [0,1,0,1,0,0|2,0,0]=4 690 B12R2.24 ClC1=NN=C2C=CC=CC2=C1 Z1255399482 [0,1,0,1,0,0|2,0,0]=4 691 B12R2.24 FC1=CC2=C(C=C1)C=NC=C2 Z916823870 [0,1,0,1,0,0|2,0,0]=4 692 B12R2.24 FC1=CC2=C(C=C1)N=CC=C2 Z361878560 [0,1,0,1,0,0|1,0,0]=3 693 B12R2.24 FC1=NC2=C(C=CC=C2)N=C1 Z1255428916 [0,1,0,1,0,0|2,0,0]=4 694 B12R2.24 IC1=CC2=C(C=C1)N=CC=C2 Z993990690 [0,1,0,1,0,0|1,0,0]=3 695 B12R2.24 IC1=CC2=C(C=CC=C2)N=C1 Z1172379319 [0,1,0,1,0,0|1,0,0]=3 696 B12R2.24 NC1=CC2=C(C=C1)N=CC=C2 Z255114686 [0,1,0,1,0,0|1,0,0]=3 697 B12R2.24 NC1=CC2=C(C=C1)N=CC=N2 Z445162266 [0,1,0,1,0,0|2,0,0]=4 698 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 Z104494980 [0,1,0,1,0,0|1,0,0]=3 699 B12R2.24 NC1=CC2=C(C=CC=C2)N=C1 Z234895085 [0,1,0,1,0,0|1,0,0]=3 700 B12R2.24 NC1=CC2=C(C=CC=N2)C=C1 Z3069264308 [0,1,0,1,0,0|1,0,0]=3 701 B12R2.24 NC1=CC2=C(C=CC=N2)N=C1 Z4445880327 [0,1,0,1,0,0|2,0,0]=4 702 B12R2.24 NC1=NC2=C(C=C1)C=NC=C2 Z3195801694 [0,1,0,1,0,0|2,0,0]=4 703 B12R2.24 NC1=NC2=C(C=C1)N=CC=C2 Z1198156324 [0,1,0,1,0,0|2,0,0]=4 704 B12R2.24 NC1=NC2=C(C=CC=C2)C=C1 Z56347237 [0,1,0,1,0,0|1,0,0]=3 705 B12R2.24 NC1=NC2=C(C=CC=C2)N=C1 Z979455432 [0,1,0,1,0,0|2,0,0]=4 706 B12R2.24 NC1=NC2=C(C=CC=N2)C=C1 Z3991429262 [0,1,0,1,0,0|2,0,0]=4 707 B12R2.24 NC1=NC=C2C=CC=CC2=C1 Z1201619117 [0,1,0,1,0,0|2,0,0]=4 708 B12R2.24 NC1=NN=C2C=CC=CC2=C1 Z1198155761 [0,1,0,1,0,0|2,0,0]=4 709 B12R2.24 O=C1C=C2C=CC=CC2=CN1 Z1203731786 [0,1,0,1,0,0|1,0,0]=3 710 B12R2.24 O=C1C=CC2=C(N1)C=CC=C2 Z57473020 [0,1,0,1,0,0|0,0,0]=2 711 B12R2.24 O=C1C=CC2=C(N1)N=CC=C2 Z3235031491 [0,1,0,1,0,0|1,0,0]=3 712 B12R2.24 O=C1C=CC2=C(O1)C=CC=C2 Z57169486 [0,1,0,1,0,0|0,0,0]=2 713 B12R2.24 O=C1C=CN2C=CC=CC2=N1 Z2932603201 [0,1,0,1,0,0|1,0,0]=3 714 B12R2.24 O=C1C=NC2=C(N1)C=CC=C2 Z56824051 [0,1,0,1,0,0|1,0,0]=3 715 B12R2.24 O=C1C=NC2=C(N1)C=NC=C2 Z1198311650 [0,1,0,1,0,0|2,0,0]=4 716 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 Z1201622353 [0,1,0,1,0,0|1,0,1]=4 717 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 Z1255486033 [0,1,0,1,0,0|1,0,1]=4 718 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 Z104495562 [0,1,0,1,0,0|0,0,2]=4 719 B12R2.24 O=C1CCC2=C(N1)C=CC=C2 Z85917566 [0,1,0,1,0,0|0,0,2]=4 720 B12R2.24 O=C1CCC2=C(O1)C=CC=C2 Z586249466 [0,1,0,1,0,0|0,0,2]=4 721 B12R2.24 O=C1CNC2=C(N1)C=CC=C2 Z56990723 [0,1,0,1,0,0|1,0,1]=4 722 B12R2.24 O=C1COC2=C(N1)C=CC=C2 Z56989567 [0,1,0,1,0,0|1,0,1]=4 723 B12R2.24 O=C1CSC2=C(N1)C=CC=C2 Z55120717 [0,1,0,1,0,0|1,0,1]=4 724 B12R2.24 O=C1N=CC2=C(N1)C=CC=C2 Z1198176626 [0,1,0,1,0,0|1,0,0]=3 725 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 Z1198157416 [0,1,0,1,0,0|1,0,1]=4 726 B12R2.24 O=C1NCC2=C(O1)C=CC=C2 Z1198723657 [0,1,0,1,0,0|1,0,1]=4 727 B12R2.24 OC1=CC2=C(C=C1)C=NC=C2 Z2753800586 [0,1,0,1,0,0|1,0,1]=4 728 B12R2.24 OC1=CC2=C(C=C1)C=NC=N2 Z1198278088 [0,1,0,1,0,0|2,0,0]=4 729 B12R2.24 OC1=CC2=C(C=C1)N=CC=C2 Z759294450 [0,1,0,1,0,0|1,0,0]=3 730 B12R2.24 OC1=CC2=C(C=C1)N=CC=N2 Z636018680 [0,1,0,1,0,0|2,0,0]=4 731 B12R2.24 OC1=CC2=C(C=C1)N=CN=C2 Z1255435182 [0,1,0,1,0,0|2,0,0]=4 732 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 Z57127515 [0,1,0,1,0,0|0,0,1]=3 733 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 Z1255419538 [0,1,0,1,0,0|1,0,0]=3 734 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 Z56928661 [0,1,0,1,0,0|1,0,1]=4 735 B12R2.24 SC1=NC2=C(C=CC=C2)C=C1 Z203045038 [0,1,0,1,0,0|0,1,0]=3 736 B12R2.24 SC1=NC2=C(C=CC=C2)N=C1 Z119989150 [0,1,0,1,0,0|1,1,0]=4 737 B12R2.132 CC1=CC2=C(C=C1)CCC2=O Z814904824 [0,1,0,1,0,0|0,0,2]=4 738 B12R2.132 CC1=CC2=C(C=C1)COC2=O Z1255391985 [0,1,0,1,0,0|1,0,1]=4 739 B12R2.132 CC1=COC2=C1C=C(C=C2)Br Z1269218033 [0,1,0,1,0,0|2,0,0]=4 740 B12R2.132 CC1=COC2=C1C=C(C=C2)Cl Z1198170631 [0,1,0,1,0,0|2,0,0]=4 741 B12R2.132 CC1=COC2=C1C=C(C=C2)F Z1255384789 [0,1,0,1,0,0|2,0,0]=4 742 B12R2.132 CC1=COC2=C1C=C(C=C2)N Z1203586519 [0,1,0,1,0,0|2,0,0]=4 743 B12R2.132 CC1=CSC2=C1C=C(C=C2)Br Z1269161739 [0,1,0,1,0,0|2,0,0]=4 744 B12R2.132 CC1=CSC2=C1C=C(C=C2)Cl Z1201618278 [0,1,0,1,0,0|2,0,0]=4 745 B12R2.132 CN1C=CC2=C1C=C(C=C2)Br Z1269186749 [0,1,0,1,0,0|2,0,0]=4 746 B12R2.132 CN1C=CC2=C1C=C(C=C2)N Z414315292 [0,1,0,1,0,0|2,0,0]=4 747 B12R2.132 CN1C=CC2=C1C=C(C=C2)O Z1255447420 [0,1,0,1,0,0|2,0,0]=4 748 B12R2.132 ClC1=CC2=C(C=C1)SC=C2Br Z1269194561 [0,1,0,1,0,0|2,0,0]=4 749 B12R2.132 FC1=CC2=C(C=C1)OC=C2Br Z1551949935 [0,1,0,1,0,0|2,0,0]=4 750 B12R2.132 NC1=CC2=C(C=C1)CCC2=O Z1201619096 [0,1,0,1,0,0|0,0,2]=4 751 B12R2.132 NC1=CC2=C(C=C1)CNC2=O Z234898249 [0,1,0,1,0,0|1,0,1]=4 752 B12R2.132 NC1=CC2=C(C=C1)COC2=O Z276599558 [0,1,0,1,0,0|1,0,1]=4 753 B12R2.132 NC1=CNC2=C1C=C(C=C2)Cl Z3397208193 [0,1,0,1,0,0|2,0,0]=4 754 B12R2.132 NC1=CNC2=C1C=C(C=C2)F Z4946628390 [0,1,0,1,0,0|2,0,0]=4 755 B12R2.132 O=C1CCC2=C1C=C(C=C2)F Z814904728 [0,1,0,1,0,0|0,0,2]=4 756 B12R2.132 O=C1CCC2=C1C=C(C=C2)I Z1269230336 [0,1,0,1,0,0|0,0,2]=4 757 B12R2.132 O=C1COC2=C1C=C(C=C2)Cl Z334863058 [0,1,0,1,0,0|1,0,1]=4 758 B12R2.132 O=C1COC2=C1C=C(C=C2)F Z334863052 [0,1,0,1,0,0|1,0,1]=4 759 B12R2.132 O=C1NC=C2N1C=C(C=C2)Br Z2732993615 [0,1,0,1,0,0|2,0,0]=4 760 B12R2.132 O=C1NCC2=C1C=C(C=C2)Br Z1269144955 [0,1,0,1,0,0|1,0,1]=4 761 B12R2.132 O=C1NCC2=C1C=C(C=C2)Cl Z1198176504 [0,1,0,1,0,0|1,0,1]=4 762 B12R2.132 O=C1NCC2=C1C=C(C=C2)F Z1198221016 [0,1,0,1,0,0|1,0,1]=4 763 B12R2.132 O=C1NCC2=C1C=C(C=C2)I Z1269110301 [0,1,0,1,0,0|1,0,1]=4 764 B12R2.132 O=C1NCC2=C1C=C(C=C2)O Z1198177071 [0,1,0,1,0,0|1,0,1]=4 765 B12R2.132 O=C1OCC2=C1C=C(C=C2)Br Z1258932820 [0,1,0,1,0,0|1,0,1]=4 766 B12R2.132 O=C1OCC2=C1C=C(C=C2)F Z1198309551 [0,1,0,1,0,0|1,0,1]=4 767 B12R2.132 O=C1OCC2=C1C=C(C=C2)O Z1198181162 [0,1,0,1,0,0|1,0,1]=4 768 B12R2.132 OC1=CC2=C(C=C1)OC=C2O Z1216838816 [0,1,0,1,0,0|1,0,1]=4 769 B12R2.132 OC1=CC2=C(C=C1)SC=C2Br Z1269146168 [0,1,0,1,0,0|2,0,0]=4 770 B12R2.2 C1=CC(=CC=N1)C2=CC=NN2 Z1258992467 [0,1,0,1,0,0|2,0,0]=4 771 B12R2.2 C1=CC(=CC=N1)C2=CN=CO2 Z1201618990 [0,1,0,1,0,0|1,0,1]=4 772 B12R2.2 C1=CC(=CC=N1)C2=CNC=N2 Z1126749700 [0,1,0,1,0,0|2,0,0]=4 773 B12R2.2 C1=CC(=CC=N1)C2=CSC=N2 Z1255497812 [0,1,0,1,0,0|2,0,0]=4 774 B12R2.2 C1=CC(=CC=N1)C2=NC=CN2 Z728187792 [0,1,0,1,0,0|2,0,0]=4 775 B12R2.2 C1=CC(=CC=N1)C2=NC=CO2 Z1255488217 [0,1,0,1,0,0|1,0,1]=4 776 B12R2.2 C1=CC(=CN=C1)C2=CC=NO2 Z1258991048 [0,1,0,1,0,0|1,0,1]=4 777 B12R2.2 C1=CC(=CN=C1)C2=CNC=N2 Z2574925769 [0,1,0,1,0,0|2,0,0]=4 778 B12R2.2 C1=CC(=CN=C1)C2=CSC=C2 Z1198170949 [0,1,0,1,0,0|1,1,0]=4 779 B12R2.2 C1=CC(=CN=C1)C2=NC=CN2 Z728187794 [0,1,0,1,0,0|2,0,0]=4 780 B12R2.2 C1=CC(=CN=C1)C2=NC=CO2 Z1255505025 [0,1,0,1,0,0|1,0,1]=4 781 B12R2.2 C1=CC(=CN=C1)N2C=CC=N2 Z1187715085 [0,1,0,1,0,0|2,0,0]=4 782 B12R2.2 C1=CC=C(C=C1)C2=CC=CN2 Z1198155817 [0,1,0,1,0,0|1,0,0]=3 783 B12R2.2 C1=CC=C(C=C1)C2=CC=CS2 Z57040506 [0,1,0,1,0,0|0,1,0]=3 784 B12R2.2 C1=CC=C(C=C1)C2=CC=NN2 Z1224534135 [0,1,0,1,0,0|1,0,0]=3 785 B12R2.2 C1=CC=C(C=C1)C2=CCNC2 Z1574940564 [0,1,0,1,0,0|1,0,1]=4 786 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 Z1201618668 [0,1,0,1,0,0|0,0,1]=3 787 B12R2.2 C1=CC=C(C=C1)C2=CN=NN2 Z2798585249 [0,1,0,1,0,0|2,0,0]=4 788 B12R2.2 C1=CC=C(C=C1)C2=CN=NS2 Z1198147414 [0,1,0,1,0,0|1,1,0]=4 789 B12R2.2 C1=CC=C(C=C1)C2=CNN=C2 Z56940955 [0,1,0,1,0,0|2,0,0]=4 790 B12R2.2 C1=CC=C(C=C1)C2=NC=CN2 Z104492164 [0,1,0,1,0,0|1,0,0]=3 791 B12R2.2 C1=CC=C(C=C1)C2=NC=CS2 Z1198153051 [0,1,0,1,0,0|0,1,0]=3 792 B12R2.2 C1=CC=C(C=C1)C2=NN=CO2 Z55670800 [0,1,0,1,0,0|1,0,1]=4 793 B12R2.2 C1=CC=C(C=C1)C2=NNC=N2 Z804949032 [0,1,0,1,0,0|2,0,0]=4 794 B12R2.2 C1=CC=C(C=C1)N2C=CC=C2 Z55669104 [0,1,0,1,0,0|1,0,0]=3 795 B12R2.2 C1=CC=C(C=C1)N2C=CC=N2 Z188745060 [0,1,0,1,0,0|1,0,0]=3 796 B12R2.2 C1=CC=C(C=C1)N2C=CN=C2 Z440825046 [0,1,0,1,0,0|2,0,0]=4 797 B12R2.2 C1=CC=C(C=C1)N2C=CN=N2 Z1198181362 [0,1,0,1,0,0|2,0,0]=4 798 B12R2.2 C1=CC=C(C=C1)N2C=NC=N2 Z1198156169 [0,1,0,1,0,0|2,0,0]=4 799 B12R2.2 C1=CN(N=C1)C2=CC=NC=C2 Z431560840 [0,1,0,1,0,0|2,0,0]=4 800 B12R2.2 C1=CN=C(C=C1)C2=CC=NN2 Z2033454088 [0,1,0,1,0,0|2,0,0]=4 801 B12R2.2 C1=CN=C(C=C1)C2=CNC=C2 Z575764746 [0,1,0,1,0,0|2,0,0]=4 802 B12R2.2 C1=CN=C(C=C1)C2=CNC=N2 Z1198180370 [0,1,0,1,0,0|2,0,0]=4 803 B12R2.2 C1=CN=C(C=C1)C2=NC=CN2 Z728187802 [0,1,0,1,0,0|2,0,0]=4 804 B12R2.2 C1=CN=C(C=C1)N2C=CC=N2 Z431509814 [0,1,0,1,0,0|2,0,0]=4 805 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 Z336080338 [0,1,0,1,0,0|0,0,2]=4 806 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 Z367677412 [0,1,0,1,0,0|0,0,2]=4 807 B12R2.27 O=C[C@@H]1C[C@H]1C2=CC=CC=C2 Z2298064271 [0,1,0,1,0,0|0,0,2]=4 808 B12R2.1081 BrC1=C2C=CC=CC2=CN=C1 Z57474193 [0,1,0,1,0,0|1,0,0]=3 809 B12R2.1081 BrC1=C2C=CC=CC2=NC=N1 Z600501698 [0,1,0,1,0,0|2,0,0]=4 810 B12R2.1081 BrC1=C2C=CN=CC2=CC=C1 Z57204608 [0,1,0,1,0,0|2,0,0]=4 811 B12R2.1081 BrC1=C2C=CN=CC2=CN=C1 Z1269154560 [0,1,0,1,0,0|2,0,0]=4 812 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 Z1269224644 [0,1,0,1,0,0|2,0,0]=4 813 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 Z839152792 [0,1,0,1,0,0|1,0,0]=3 814 B12R2.1081 BrC1=C2N=CC=CC2=CN=C1 Z1269219247 [0,1,0,1,0,0|2,0,0]=4 815 B12R2.1081 BrC1=C2N=CC=NC2=CC=C1 Z1269202681 [0,1,0,1,0,0|2,0,0]=4 816 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 Z104475342 [0,1,0,1,0,0|1,0,0]=3 817 B12R2.1081 CC1=C2C=CC=CC2=CC=N1 Z1255415440 [0,1,0,1,0,0|1,0,0]=3 818 B12R2.1081 CC1=C2C=CC=CC2=NC=C1 Z104472668 [0,1,0,1,0,0|1,0,0]=3 819 B12R2.1081 CC1=C2N=CC=CC2=NC=C1 Z1255451101 [0,1,0,1,0,0|2,0,0]=4 820 B12R2.1081 ClC1=C2C=CC=CC2=CC=C1 Z104504716 [0,1,0,1,0,0|1,0,0]=3 821 B12R2.1081 ClC1=C2C=CC=CC2=CN=N1 Z2768165624 [0,1,0,1,0,0|2,0,0]=4 822 B12R2.1081 ClC1=C2C=CC=CC2=NC=C1 Z431511604 [0,1,0,1,0,0|1,0,0]=3 823 B12R2.1081 ClC1=C2C=CC=CC2=NC=N1 Z119990038 [0,1,0,1,0,0|2,0,0]=4 824 B12R2.1081 ClC1=C2C=CN=CC2=CC=C1 Z1255446597 [0,1,0,1,0,0|2,0,0]=4 825 B12R2.1081 ClC1=C2C=NC=CC2=CC=C1 Z1201624136 [0,1,0,1,0,0|2,0,0]=4 826 B12R2.1081 ClC1=C2N=CC=CC2=CC=C1 Z362567890 [0,1,0,1,0,0|1,0,0]=3 827 B12R2.1081 FC1=C2C=CC=CC2=CC=C1 Z1162445957 [0,1,0,1,0,0|1,0,0]=3 828 B12R2.1081 FC1=C2C=NC=CC2=CC=C1 Z916812496 [0,1,0,1,0,0|2,0,0]=4 829 B12R2.1081 FC1=C2N=CC=CC2=CC=C1 Z243277338 [0,1,0,1,0,0|1,0,0]=3 830 B12R2.1081 FC1=C2N=CC=NC2=CC=C1 Z1198266668 [0,1,0,1,0,0|2,0,0]=4 831 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 Z381540734 [0,1,0,1,0,0|1,0,0]=3 832 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 Z57127984 [0,1,0,1,0,0|1,0,0]=3 833 B12R2.1081 NC1=C2C=CC=CC2=CC=N1 Z1203162487 [0,1,0,1,0,0|1,0,0]=3 834 B12R2.1081 NC1=C2C=CC=CC2=CN=C1 Z1524694515 [0,1,0,1,0,0|1,0,0]=3 835 B12R2.1081 NC1=C2C=CC=CC2=CN=N1 Z425847324 [0,1,0,1,0,0|2,0,0]=4 836 B12R2.1081 NC1=C2C=CC=CC2=NC=C1 Z381037214 [0,1,0,1,0,0|1,0,0]=3 837 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 Z99599970 [0,1,0,1,0,0|2,0,0]=4 838 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 Z56919160 [0,1,0,1,0,0|1,0,0]=3 839 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 Z104472972 [0,1,0,1,0,0|2,0,0]=4 840 B12R2.1081 NC1=C2C=CN=CC2=CN=C1 Z1203642415 [0,1,0,1,0,0|2,0,0]=4 841 B12R2.1081 NC1=C2C=CN=CC2=NC=C1 Z1203580795 [0,1,0,1,0,0|2,0,0]=4 842 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 Z1201619572 [0,1,0,1,0,0|2,0,0]=4 843 B12R2.1081 NC1=C2C=NC=CC2=NC=C1 Z1198157283 [0,1,0,1,0,0|2,0,0]=4 844 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 Z57032752 [0,1,0,1,0,0|1,0,0]=3 845 B12R2.1081 NC1=C2N=CC=CC2=CC=N1 Z3034935779 [0,1,0,1,0,0|2,0,0]=4 846 B12R2.1081 NC1=C2N=CC=CC2=NC=C1 Z1198152636 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.1081 NC1=C2N=CC=NC2=CC=C1 Z1198157683 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.1081 N[N+]1=C2C=CC=CC2=CC=C1 Z56760714 [0,1,0,1,0,0|1,0,0]=3 849 B12R2.1081 O=C1C=CNC2=C1C=CN=C2 Z4513281563 [0,1,0,1,0,0|1,0,0]=3 850 B12R2.1081 O=C1C=COC2=C1C=CC=C2 Z1218937140 [0,1,0,1,0,0|0,0,0]=2 851 B12R2.1081 O=C1CCCC2=C1C=CC=C2 Z104477014 [0,1,0,1,0,0|0,0,2]=4 852 B12R2.1081 O=C1CCNC2=C1C=CC=C2 Z1492781321 [0,1,0,1,0,0|0,0,2]=4 853 B12R2.1081 O=C1CCOC2=C1C=CC=C2 Z85920466 [0,1,0,1,0,0|0,0,2]=4 854 B12R2.1081 O=C1CCSC2=C1C=CC=C2 Z56914832 [0,1,0,1,0,0|0,0,2]=4 855 B12R2.1081 O=C1COCC2=C1C=CC=C2 Z1201625145 [0,1,0,1,0,0|0,0,2]=4 856 B12R2.1081 O=C1N=CNC2=C1N=CC=C2 Z3037257396 [0,1,0,1,0,0|2,0,0]=4 857 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 Z56960237 [0,1,0,1,0,0|0,0,0]=2 858 B12R2.1081 O=C1NC=CC2=C1C=CC=N2 Z3227107005 [0,1,0,1,0,0|1,0,0]=3 859 B12R2.1081 O=C1NC=CC2=C1C=NC=C2 Z1203731790 [0,1,0,1,0,0|1,0,0]=3 860 B12R2.1081 O=C1NC=CC2=C1C=NC=N2 Z1203746699 [0,1,0,1,0,0|2,0,0]=4 861 B12R2.1081 O=C1NC=CC2=C1N=CC=N2 Z1203732948 [0,1,0,1,0,0|2,0,0]=4 862 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 Z56862715 [0,1,0,1,0,0|1,0,0]=3 863 B12R2.1081 O=C1NC=NC2=C1C=CC=N2 Z227832770 [0,1,0,1,0,0|2,0,0]=4 864 B12R2.1081 O=C1NC=NC2=C1C=CN=C2 Z1198269947 [0,1,0,1,0,0|2,0,0]=4 865 B12R2.1081 O=C1NCCC2=C1C=CC=C2 Z56801375 [0,1,0,1,0,0|0,0,2]=4 866 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 Z48957540 [0,1,0,1,0,0|1,0,0]=3 867 B12R2.1081 O=C1NN=CC2=C1C=CC=N2 Z1250092421 [0,1,0,1,0,0|2,0,0]=4 868 B12R2.1081 O=C1NN=CC2=C1N=CC=C2 Z1224947968 [0,1,0,1,0,0|2,0,0]=4 869 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 Z56943376 [0,1,0,1,0,0|2,0,0]=4 870 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 Z1198175817 [0,1,0,1,0,0|0,0,0]=2 871 B12R2.1081 O=C1OC=CC2=C1N=CC=C2 Z1127388775 [0,1,0,1,0,0|1,0,0]=3 872 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 Z104474036 [0,1,0,1,0,0|0,0,1]=3 873 B12R2.1081 OC1=C2C=CC=CC2=CN=C1 Z1198152661 [0,1,0,1,0,0|0,0,1]=3 874 B12R2.1081 OC1=C2C=CC=CC2=NC=C1 Z818727120 [0,1,0,1,0,0|0,0,1]=3 875 B12R2.1081 OC1=C2C=CC=CC2=NN=C1 Z104495104 [0,1,0,1,0,0|1,0,1]=4 876 B12R2.1081 OC1=C2C=CC=NC2=NC=C1 Z1198181777 [0,1,0,1,0,0|1,0,1]=4 877 B12R2.1081 OC1=C2C=NC=CC2=CC=C1 Z5141131098 [0,1,0,1,0,0|1,0,1]=4 878 B12R2.1081 OC1=C2C=NC=CC2=NC=C1 Z1335657679 [0,1,0,1,0,0|1,0,1]=4 879 B12R2.1081 OC1=C2C=NC=NC2=CC=C1 Z1198155756 [0,1,0,1,0,0|2,0,0]=4 880 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 Z56926518 [0,1,0,1,0,0|1,0,0]=3 881 B12R2.1081 OC1=C2N=CC=CC2=CC=N1 Z1201626988 [0,1,0,1,0,0|1,0,1]=4 882 B12R2.1081 OC1=C2N=CC=CC2=NC=C1 Z1198152632 [0,1,0,1,0,0|1,0,1]=4 883 B12R2.1081 S=C1C=CNC2=C1C=CC=C2 Z1258992692 [0,1,0,1,0,0|0,1,0]=3 884 B12R2.1081 S=C1C=NNC2=C1C=CC=C2 Z126932680 [0,1,0,1,0,0|1,1,0]=4 885 B12R2.1081 SC1=C2C=CC=CC2=CN=N1 Z56754260 [0,1,0,1,0,0|1,1,0]=4 886 B12R2.1081 SC1=C2C=CC=CC2=NC=N1 Z203045188 [0,1,0,1,0,0|1,1,0]=4 887 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 Z335243948 [0,1,0,1,0,0|0,0,2]=4 888 B12R2.2028 CN1C=C(C2=C1C=CC=C2)N Z2787455551 [0,1,0,1,0,0|2,0,0]=4 889 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 Z1255452290 [0,1,0,1,0,0|2,0,0]=4 890 B12R2.2028 NC1=NC(=O)C2=C1C=CC=C2 Z316121514 [0,1,0,1,0,0|1,0,0]=3 891 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 Z57131040 [0,1,0,1,0,0|0,0,1]=3 892 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 Z57127356 [0,1,0,1,0,0|1,0,0]=3 893 B12R2.2028 O=C1NC(=O)C2=C1C=CC=N2 Z275364976 [0,1,0,1,0,0|2,0,0]=4 894 B12R2.2028 O=C1NC(=O)C2=C1C=CN=C2 Z1123701770 [0,1,0,1,0,0|2,0,0]=4 895 B12R2.2028 O=C1OC(=O)C2=C1C=CC=N2 Z235344909 [0,1,0,1,0,0|2,0,0]=4 896 B12R2.2028 O=C1OC(C2=C1C=CC=C2)O Z104507040 [0,1,0,1,0,0|1,0,1]=4 897 B12R2.32 N#CC1=CC2=C(N1)C=CC=C2 Z1255419551 [0,1,0,1,0,0|1,0,1]=4 898 B12R2.32 N#CC1=CC2=C(O1)C=CC=C2 Z381355152 [0,1,0,1,0,0|1,0,1]=4 899 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 Z2106601624 [0,1,0,1,0,0|1,0,1]=4 900 B12R2.32 NCC1=CC2=C(S1)C=CC=C2 Z57206121 [0,1,0,1,0,0|1,0,1]=4 901 B12R2.32 O=CC1=CC2=C(N1)C=CC=C2 Z1203160203 [0,1,0,1,0,0|0,0,0]=2 902 B12R2.32 O=CC1=CC2=C(N1)C=CC=N2 Z1198177421 [0,1,0,1,0,0|1,0,0]=3 903 B12R2.32 O=CC1=CC2=C(N1)C=CN=C2 Z3305262316 [0,1,0,1,0,0|1,0,0]=3 904 B12R2.32 O=CC1=CC2=C(N1)N=CC=C2 Z1198177420 [0,1,0,1,0,0|1,0,0]=3 905 B12R2.32 O=CC1=CC2=C(O1)C=CC=C2 Z147641868 [0,1,0,1,0,0|0,0,0]=2 906 B12R2.32 O=CC1=CC2=C(O1)C=CC=N2 Z1198330026 [0,1,0,1,0,0|1,0,0]=3 907 B12R2.32 O=CC1=CC2=C(O1)C=CN=C2 Z1255417643 [0,1,0,1,0,0|1,0,0]=3 908 B12R2.32 O=CC1=CC2=C(O1)N=CC=C2 Z1255505540 [0,1,0,1,0,0|1,0,0]=3 909 B12R2.32 O=CC1=CC2=C(S1)C=CC=C2 Z1741961424 [0,1,0,1,0,0|0,0,0]=2 910 B12R2.32 O=CC1=CC2=C(S1)C=CC=N2 Z1216823029 [0,1,0,1,0,0|1,0,0]=3 911 B12R2.32 O=CC1=CC2=C(S1)C=NC=C2 Z1198309374 [0,1,0,1,0,0|1,0,0]=3 912 B12R2.32 O=CC1=CC2=C(S1)N=CC=C2 Z1160905957 [0,1,0,1,0,0|1,0,0]=3 913 B12R2.32 O=CC1=CN2C=CC=CC2=N1 Z622445034 [0,1,0,1,0,0|1,0,0]=3 914 B12R2.32 O=CC1=CN2C=CC=NC2=N1 Z1190323952 [0,1,0,1,0,0|2,0,0]=4 915 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 Z57114985 [0,1,0,1,0,0|1,0,0]=3 916 B12R2.32 O=CC1=NC2=C(O1)C=CC=C2 Z1198162173 [0,1,0,1,0,0|1,0,0]=3 917 B12R2.32 O=CC1=NC2=C(S1)C=CC=C2 Z276151160 [0,1,0,1,0,0|1,0,0]=3 918 B12R2.32 O=CC1=NC2=C(S1)C=CN=C2 Z1352941603 [0,1,0,1,0,0|2,0,0]=4 919 B12R2.32 O=CC1=NC2=C(S1)N=CC=C2 Z1352941599 [0,1,0,1,0,0|2,0,0]=4 920 B12R2.32 O=CC1=NN2C=CC=CC2=C1 Z1171753365 [0,1,0,1,0,0|1,0,0]=3 921 B12R2.32 O=CC1CC2=C(C1)C=CC=C2 Z1255436588 [0,1,0,1,0,0|0,0,2]=4 922 B12R2.32 O=CN1CC2=C(C1)C=CC=C2 Z1216818057 [0,1,0,1,0,0|1,0,1]=4 923 B12R2.32 OCC1=CC2=C(O1)C=CC=C2 Z164677912 [0,1,0,1,0,0|0,0,2]=4 924 B12R2.32 OCC1=CC2=C(S1)C=CC=C2 Z816841922 [0,1,0,1,0,0|0,0,2]=4 925 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 Z334686316 [0,1,0,1,0,0|0,0,2]=4 926 B12R2.196 CC1=CSC2=C1C=CC=C2Br Z1269175775 [0,1,0,1,0,0|2,0,0]=4 927 B12R2.196 CC1=CSC2=C1C=CC=C2N Z4952832526 [0,1,0,1,0,0|2,0,0]=4 928 B12R2.196 ClC1=C2NC=C(C2=CC=C1)Br Z1269127355 [0,1,0,1,0,0|2,0,0]=4 929 B12R2.196 FC1=C2SC=C(C2=CC=C1)Br Z3244825551 [0,1,0,1,0,0|2,0,0]=4 930 B12R2.196 NC1=C2CCC(=O)C2=CC=C1 Z5097408049 [0,1,0,1,0,0|0,0,2]=4 931 B12R2.196 NC1=C2CNC(=O)C2=CC=C1 Z1198176565 [0,1,0,1,0,0|1,0,1]=4 932 B12R2.196 NC1=C2COC(=O)C2=CC=C1 Z1198164599 [0,1,0,1,0,0|1,0,1]=4 933 B12R2.196 O=C1CCC2=C(C=CC=C12)Br Z334686326 [0,1,0,1,0,0|0,0,2]=4 934 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl Z234895081 [0,1,0,1,0,0|0,0,2]=4 935 B12R2.196 O=C1CCC2=C(C=CC=C12)F Z334686322 [0,1,0,1,0,0|0,0,2]=4 936 B12R2.196 O=C1CCC2=C(C=CC=C12)O Z203881856 [0,1,0,1,0,0|0,0,2]=4 937 B12R2.196 O=C1COC2=C(C=CC=C12)Br Z334863098 [0,1,0,1,0,0|1,0,1]=4 938 B12R2.196 O=C1COC2=C(C=CC=C12)Cl Z334863094 [0,1,0,1,0,0|1,0,1]=4 939 B12R2.196 O=C1NCC2=C(C=CC=C12)Br Z1258930120 [0,1,0,1,0,0|1,0,1]=4 940 B12R2.196 O=C1NCC2=C(C=CC=C12)Cl Z1198221042 [0,1,0,1,0,0|1,0,1]=4 941 B12R2.196 O=C1NCC2=C(C=CC=C12)F Z1255380598 [0,1,0,1,0,0|1,0,1]=4 942 B12R2.196 O=C1NCC2=C(C=CC=C12)O Z1741980680 [0,1,0,1,0,0|1,0,1]=4 943 B12R2.203 BrC1=CC=CC2=C1C(=CS2)Br Z3300762315 [0,1,0,1,0,0|2,0,0]=4 944 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 Z1255399735 [0,1,0,1,0,0|0,0,2]=4 945 B12R2.203 CC1=CSC2=C1C(=CC=C2)Br Z1862000479 [0,1,0,1,0,0|2,0,0]=4 946 B12R2.203 CN1C=CC2=C1C(=CC=C2)N Z1203585452 [0,1,0,1,0,0|2,0,0]=4 947 B12R2.203 FC1=C2C(=CNC2=CC=C1)Br Z1544675659 [0,1,0,1,0,0|2,0,0]=4 948 B12R2.203 NC1=C2C(=O)NCC2=CC=C1 Z234893819 [0,1,0,1,0,0|1,0,1]=4 949 B12R2.203 O=C1CCC2=CC=CC(=C12)F Z1201624056 [0,1,0,1,0,0|0,0,2]=4 950 B12R2.203 O=C1CCC2=CC=CC(=C12)O Z1255416018 [0,1,0,1,0,0|0,0,2]=4 951 B12R2.203 O=C1COC2=CC=CC(=C12)Cl Z1255379841 [0,1,0,1,0,0|1,0,1]=4 952 B12R2.203 O=C1COC2=CC=CC(=C12)F Z1198342984 [0,1,0,1,0,0|1,0,1]=4 953 B12R2.203 O=C1NCC2=CC=CC(=C12)Br Z1269173290 [0,1,0,1,0,0|1,0,1]=4 954 B12R2.203 O=C1NCC2=CC=CC(=C12)Cl Z1198221040 [0,1,0,1,0,0|1,0,1]=4 955 B12R2.203 O=C1NCC2=CC=CC(=C12)O Z1203833101 [0,1,0,1,0,0|1,0,1]=4 956 B12R2.203 O=C1NNC2=CC=CC(=C12)Br Z1269126740 [0,1,0,1,0,0|2,0,0]=4 957 B12R2.203 O=C1NNC2=CC=CC(=C12)Cl Z1098880205 [0,1,0,1,0,0|2,0,0]=4 958 B12R2.203 O=C1NSC2=CC=CC(=C12)Br Z3002992543 [0,1,0,1,0,0|2,0,0]=4 959 B12R2.203 OC1=C2C(=CSC2=CC=C1)Br Z1862026502 [0,1,0,1,0,0|2,0,0]=4 960 B12R2.612 CC1=CC2=C(C=C1)C(=CN2)C Z1203732482 [0,1,0,1,0,0|2,0,0]=4 961 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 Z318770612 [0,1,0,1,0,0|0,0,2]=4 962 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Z1255397223 [0,1,0,1,0,0|1,0,1]=4 963 B12R2.612 CC1=CC2=C(C=C1)C(=O)CS2 Z1255404471 [0,1,0,1,0,0|1,0,1]=4 964 B12R2.612 CC1=CC2=C(C=C1)C(=O)NC2 Z1198184833 [0,1,0,1,0,0|1,0,1]=4 965 B12R2.612 CC1=CNC2=C1C=CC(=C2)Cl Z1255439930 [0,1,0,1,0,0|2,0,0]=4 966 B12R2.612 CC1=CNC2=C1C=CC(=C2)O Z1203731448 [0,1,0,1,0,0|2,0,0]=4 967 B12R2.612 CN1C=CC2=C1C=CC(=C2)Br Z274764436 [0,1,0,1,0,0|2,0,0]=4 968 B12R2.612 CN1C=CC2=C1C=CC(=C2)N Z385461802 [0,1,0,1,0,0|2,0,0]=4 969 B12R2.612 ClC1=CC2=C(C=C1)C(=CN2)I Z1269185626 [0,1,0,1,0,0|2,0,0]=4 970 B12R2.612 NC1=CC2=C(C=C1)C(=CS2)Cl Z4135016645 [0,1,0,1,0,0|2,0,0]=4 971 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 Z57109500 [0,1,0,1,0,0|0,0,2]=4 972 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 Z1198272534 [0,1,0,1,0,0|1,0,1]=4 973 B12R2.612 NC1=CC2=C(C=C1)C(=O)NS2 Z1262664713 [0,1,0,1,0,0|2,0,0]=4 974 B12R2.612 O=C1CCC2=C1C=CC(=C2)Br Z318770638 [0,1,0,1,0,0|0,0,2]=4 975 B12R2.612 O=C1CCC2=C1C=CC(=C2)Cl Z318770634 [0,1,0,1,0,0|0,0,2]=4 976 B12R2.612 O=C1CCC2=C1C=CC(=C2)F Z318770630 [0,1,0,1,0,0|0,0,2]=4 977 B12R2.612 O=C1CCC2=C1C=CC(=C2)O Z1255457932 [0,1,0,1,0,0|0,0,2]=4 978 B12R2.612 O=C1COC2=C1C=CC(=C2)Br Z1269152090 [0,1,0,1,0,0|1,0,1]=4 979 B12R2.612 O=C1COC2=C1C=CC(=C2)Cl Z1198169822 [0,1,0,1,0,0|1,0,1]=4 980 B12R2.612 O=C1COC2=C1C=CC(=C2)F Z1198221984 [0,1,0,1,0,0|1,0,1]=4 981 B12R2.612 O=C1COC2=C1C=CC(=C2)O Z111875098 [0,1,0,1,0,0|1,0,1]=4 982 B12R2.612 O=C1NCC2=C1C=CC(=C2)Br Z1269136562 [0,1,0,1,0,0|1,0,1]=4 983 B12R2.612 O=C1NCC2=C1C=CC(=C2)Cl Z1198176501 [0,1,0,1,0,0|1,0,1]=4 984 B12R2.612 O=C1NCC2=C1C=CC(=C2)F Z1255503451 [0,1,0,1,0,0|1,0,1]=4 985 B12R2.612 O=C1NCC2=C1C=CC(=C2)O Z1198272536 [0,1,0,1,0,0|1,0,1]=4 986 B12R2.612 O=C1NSC2=C1C=CC(=C2)Cl Z1198155415 [0,1,0,1,0,0|2,0,0]=4 987 B12R2.612 O=C1OCC2=C1C=CC(=C2)Cl Z1198234542 [0,1,0,1,0,0|1,0,1]=4 988 B12R2.612 O=C1OCC2=C1C=CC(=C2)F Z1198234543 [0,1,0,1,0,0|1,0,1]=4 989 B12R2.612 O=C1OCC2=C1C=CC(=C2)O Z1198162647 [0,1,0,1,0,0|1,0,1]=4 990 B12R2.612 OC1=CSC2=C1C=CC(=C2)Br Z3300768645 [0,1,0,1,0,0|1,0,1]=4 991 B12R2.1 C=CN1C=NC2=C1C=CC=C2 Z87001578 [0,1,0,1,0,0|2,0,0]=4 992 B12R2.1 CCC1=CNC2=C1C=CC=C2 Z1198159100 [0,1,0,1,0,0|1,0,1]=4 993 B12R2.1 CSC1=CNC2=C1C=CC=C2 Z1262562193 [0,1,0,1,0,0|1,1,0]=4 994 B12R2.1 N#CC1=CNC2=C1C=CC=C2 Z57204989 [0,1,0,1,0,0|1,0,1]=4 995 B12R2.1 N#CC1=COC2=C1C=CC=C2 Z1188275503 [0,1,0,1,0,0|1,0,1]=4 996 B12R2.1 NCC1=CSC2=C1C=CC=C2 Z425459986 [0,1,0,1,0,0|1,0,1]=4 997 B12R2.1 O=CC1=C2C=CC=CC2=NS1 Z1504687602 [0,1,0,1,0,0|1,0,0]=3 998 B12R2.1 O=CC1=C2C=CC=CN2N=C1 Z1123806715 [0,1,0,1,0,0|1,0,0]=3 999 B12R2.1 O=CC1=C2C=CC=CN2N=N1 Z1416158255 [0,1,0,1,0,0|2,0,0]=4 1000 B12R2.1 O=CC1=C2C=CC=NN2N=C1 Z1216857648 [0,1,0,1,0,0|2,0,0]=4 1001 B12R2.1 O=CC1=C2N=CC=CN2N=C1 Z1079441388 [0,1,0,1,0,0|2,0,0]=4 1002 B12R2.1 O=CC1=CN=C2N1C=CC=C2 Z727564760 [0,1,0,1,0,0|1,0,0]=3 1003 B12R2.1 O=CC1=CN=C2N1C=CC=N2 Z1079126304 [0,1,0,1,0,0|2,0,0]=4 1004 B12R2.1 O=CC1=CN=C2N1C=CN=C2 Z1198182560 [0,1,0,1,0,0|2,0,0]=4 1005 B12R2.1 O=CC1=CNC2=C1C=CC=C2 Z56785575 [0,1,0,1,0,0|0,0,0]=2 1006 B12R2.1 O=CC1=CNC2=C1C=CC=N2 Z57337365 [0,1,0,1,0,0|1,0,0]=3 1007 B12R2.1 O=CC1=CNC2=C1C=CN=C2 Z1198176790 [0,1,0,1,0,0|1,0,0]=3 1008 B12R2.1 O=CC1=CNC2=C1C=NC=C2 Z1079456084 [0,1,0,1,0,0|1,0,0]=3 1009 B12R2.1 O=CC1=CNC2=C1C=NC=N2 Z1255425239 [0,1,0,1,0,0|2,0,0]=4 1010 B12R2.1 O=CC1=CNC2=C1N=CC=C2 Z1203747933 [0,1,0,1,0,0|1,0,0]=3 1011 B12R2.1 O=CC1=CNC2=C1N=CC=N2 Z1198277987 [0,1,0,1,0,0|2,0,0]=4 1012 B12R2.1 O=CC1=COC2=C1C=CC=C2 Z1197879644 [0,1,0,1,0,0|0,0,0]=2 1013 B12R2.1 O=CC1=CSC2=C1C=CC=C2 Z199535912 [0,1,0,1,0,0|0,0,0]=2 1014 B12R2.1 O=CC1=NC=C2N1C=CC=C2 Z1162448252 [0,1,0,1,0,0|1,0,0]=3 1015 B12R2.1 O=CC1=NNC2=C1C=CC=C2 Z1065726010 [0,1,0,1,0,0|1,0,0]=3 1016 B12R2.1 O=CC1CCC2=C1C=CC=C2 Z1070003774 [0,1,0,1,0,0|0,0,2]=4 1017 B12R2.1 OCC1=CNC2=C1C=CC=C2 Z85923165 [0,1,0,1,0,0|0,0,2]=4 1018 B12R2.1 OCC1=CSC2=C1C=CC=C2 Z385370244 [0,1,0,1,0,0|0,0,2]=4 1019 B12R2.23 O=C1CCN1C2=CC=CC=C2 Z1198221109 [0,1,0,1,0,0|0,0,2]=4 1020 B12R2.18 CC1=C(C2=C(N1)C=CC=C2)Br Z361892264 [0,1,0,1,0,0|2,0,0]=4 1021 B12R2.18 CC1=C(C2=C(N1)C=CC=C2)C Z56867202 [0,1,0,1,0,0|2,0,0]=4 1022 B12R2.18 CC1=C(C2=C(S1)C=CC=C2)Br Z1269212248 [0,1,0,1,0,0|2,0,0]=4 1023 B12R2.18 CC1CC2=C(C1=O)C=CC=C2 Z854042930 [0,1,0,1,0,0|0,0,2]=4 1024 B12R2.18 CN1C(=CC2=C1C=CC=C2)N Z3243653956 [0,1,0,1,0,0|2,0,0]=4 1025 B12R2.18 CN1NC2=C(C1=O)C=CC=C2 Z1255429786 [0,1,0,1,0,0|2,0,0]=4 1026 B12R2.18 ClC1=C(C2=C(S1)C=CC=C2)Cl Z1269130316 [0,1,0,1,0,0|2,0,0]=4 1027 B12R2.18 NC1CC2=C(C1=O)C=CC=C2 Z1551475987 [0,1,0,1,0,0|0,0,2]=4 1028 B12R2.18 NN1CC2=C(C1=O)C=CC=C2 Z1953500024 [0,1,0,1,0,0|1,0,1]=4 1029 B12R2.18 O=C1C2=C(C=CC=C2)CC1Cl Z854067258 [0,1,0,1,0,0|0,0,2]=4 1030 B12R2.18 O=C1NC2=C(C1=O)C=CC=C2 Z57127903 [0,1,0,1,0,0|1,0,0]=3 1031 B12R2.18 O=C1SC2=C(C1=O)C=CC=C2 Z1198153623 [0,1,0,1,0,0|1,0,0]=3 1032 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 Z425439028 [0,1,0,1,0,0|1,0,0]=3 1033 B8R1.8 O=CCC1=CC=CO1 Z1179944709 [1,0,0,0,1,0|1,0,1]=4 1034 B8R1.8 O=CCC1=CC=CS1 Z993017816 [1,0,0,0,1,0|1,0,1]=4 1035 B8R1.8 O=CCC1=CSC=C1 Z1079442684 [1,0,0,0,1,0|1,0,1]=4