0 B11R2.1 B1(c2ccccc2CO1)O L15192 [0,0,0,0,0,0|1,0,1]=2 1 B11R2.1 C[n+]1csc2c1cccc2 L04837 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.1 Cc1c2cccnc2[nH]n1 H61397 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.1 Cc1csc2c1cccc2 A15772 [0,0,0,0,0,0|3,0,0]=3 5 B11R2.1 Cn1c2ccccc2nn1 L00297 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.1 Cn1ccc2c1cccc2 A12605 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.1 Cn1cnc2c1cccc2 B25472 [0,0,0,0,0,0|4,0,0]=4 8 B11R2.1 c1cc2c(c(co2)Br)nc1 H33652 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.1 c1cc2c(c[nH]c2nc1)Br H66137 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.1 c1cc2c(c[nH]c2nc1)I H59457 [0,0,0,0,0,0|4,0,0]=4 11 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [0,0,0,0,0,0|2,0,0]=2 12 B11R2.1 c1ccc2c(c1)C(=O)N=N2 L05860 [0,0,0,0,0,0|2,0,0]=2 13 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [0,0,0,0,0,0|1,0,0]=1 14 B11R2.1 c1ccc2c(c1)CCC2N A16585 [0,0,0,0,0,0|2,0,1]=3 15 B11R2.1 c1ccc2c(c1)CCC2O B24536 [0,0,0,0,0,0|1,0,2]=3 16 B11R2.1 c1ccc2c(c1)CC[C@@H]2N L19303 [0,0,0,0,0,0|2,0,1]=3 17 B11R2.1 c1ccc2c(c1)CC[C@H]2N L19302 [0,0,0,0,0,0|2,0,1]=3 18 B11R2.1 c1ccc2c(c1)COC2=O A15516 [0,0,0,0,0,0|0,0,0]=0 19 B11R2.1 c1ccc2c(c1)c(=O)[nH]o2 H50899 [0,0,0,0,0,0|2,0,0]=2 20 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 H60492 [0,0,0,0,0,0|2,0,0]=2 21 B11R2.1 c1ccc2c(c1)c(c[nH]2)I H66490 [0,0,0,0,0,0|3,0,0]=3 22 B11R2.1 c1ccc2c(c1)c(cs2)Br H32948 [0,0,0,0,0,0|3,0,0]=3 23 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br H37775 [0,0,0,0,0,0|3,0,0]=3 24 B11R2.1 c1ccc2c(c1)c(n[nH]2)N H33435 [0,0,0,0,0,0|3,0,0]=3 25 B11R2.1 c1ccc2c(c1)c(ns2)Cl L17791 [0,0,0,0,0,0|3,0,0]=3 26 B11R2.1 c1ccc2c(c1)no[n+]2[O-] L10144 [0,0,0,0,0,0|2,0,1]=3 27 B11R2.1 c1ccn2c(c1)c(cn2)I H35255 [0,0,0,0,0,0|4,0,0]=4 28 B11R2.1 c1ccn2c(c1)n[nH]c2=O L18705 [0,0,0,0,0,0|3,0,0]=3 29 B11R2.1 c1ccn2c(c1)ncc2Br H26011 [0,0,0,0,0,0|4,0,0]=4 30 B11R2.1 c1ccn2c(c1)ncc2N H58726 [0,0,0,0,0,0|4,0,0]=4 31 B11R2.1 c1ccn2c(c1)nnc2N H58980 [0,0,0,0,0,0|4,0,0]=4 32 B11R2.1 c1ccn2c(c1)nnc2S H32694 [0,0,0,0,0,0|3,1,0]=4 33 B10R2.7 B1Oc2ccccc2O1 H30234 [1,0,0,0,0,0|3,0,0]=4 34 B10R2.7 B1Oc2ccccc2O1 L14998 [1,0,0,0,0,0|3,0,0]=4 35 B10R2.7 c1c[nH]c2c1ccnc2 H64458 [1,0,0,0,0,0|3,0,0]=4 36 B10R2.7 c1c[nH]c2c1cncc2 H64272 [1,0,0,0,0,0|3,0,0]=4 37 B10R2.7 c1cc2c(cc[nH]2)nc1 H64224 [1,0,0,0,0,0|3,0,0]=4 38 B10R2.7 c1cc2c(cco2)nc1 H32966 [1,0,0,0,0,0|3,0,0]=4 39 B10R2.7 c1cc2c(nc1)CCC2 H25896 [1,0,0,0,0,0|2,0,1]=4 40 B10R2.7 c1cc2c(nc1)NCC2 H64551 [1,0,0,0,0,0|3,0,0]=4 41 B10R2.7 c1cc2cc[nH]c2nc1 L07983 [1,0,0,0,0,0|3,0,0]=4 42 B10R2.7 c1cc2cn[nH]c2nc1 H61710 [1,0,0,0,0,0|3,0,0]=4 43 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [1,0,0,0,0,0|1,0,0]=2 44 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [1,0,0,0,0,0|1,0,0]=2 45 B10R2.7 c1ccc2c(c1)CCC2 B21442 [1,0,0,0,0,0|1,0,1]=3 46 B10R2.7 c1ccc2c(c1)CCN2 A11000 [1,0,0,0,0,0|2,0,0]=3 47 B10R2.7 c1ccc2c(c1)CCO2 A11368 [1,0,0,0,0,0|2,0,0]=3 48 B10R2.7 c1ccc2c(c1)CNC2 H63012 [1,0,0,0,0,0|1,0,1]=3 49 B10R2.7 c1ccc2c(c1)COC2 45592 [1,0,0,0,0,0|0,0,1]=2 50 B10R2.7 c1ccc2c(c1)COC2 A10217 [1,0,0,0,0,0|0,0,1]=2 51 B10R2.7 c1ccc2c(c1)OCO2 A14192 [1,0,0,0,0,0|3,0,0]=4 52 B10R2.7 c1ccc2c(c1)[nH]cn2 A12763 [1,0,0,0,0,0|3,0,0]=4 53 B10R2.7 c1ccc2c(c1)[nH]nn2 A15423 [1,0,0,0,0,0|3,0,0]=4 54 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [1,0,0,0,0,0|2,0,0]=3 55 B10R2.7 c1ccc2c(c1)cco2 A15225 [1,0,0,0,0,0|2,0,0]=3 56 B10R2.7 c1ccc2c(c1)ccs2 A12328 [1,0,0,0,0,0|2,0,0]=3 57 B10R2.7 c1ccc2c(c1)cn[nH]2 A11665 [1,0,0,0,0,0|2,0,0]=3 58 B10R2.7 c1ccc2c(c1)cno2 B23400 [1,0,0,0,0,0|2,0,0]=3 59 B10R2.7 c1ccc2c(c1)nco2 A17489 [1,0,0,0,0,0|3,0,0]=4 60 B10R2.7 c1ccc2c(c1)ncs2 A10380 [1,0,0,0,0,0|3,0,0]=4 61 B10R2.7 c1ccc2c(c1)non2 L11229 [1,0,0,0,0,0|2,0,0]=3 62 B10R2.7 c1ccc2c(c1)nsn2 43730 [1,0,0,0,0,0|2,1,0]=4 63 B10R2.7 c1ccc2c(c1)sc[s+]2 H55403 [1,0,0,0,0,0|3,0,0]=4 64 B10R2.7 c1ccn2c(c1)ccn2 H35502 [1,0,0,0,0,0|3,0,0]=4 65 B12R2.1 c1ccc2c(c1)c(c[nH]2)C#N A16041 [0,1,0,0,0,0|3,0,0]=4 66 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O A15330 [0,1,0,0,0,0|2,0,0]=3 67 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO L15762 [0,1,0,0,0,0|2,0,1]=4 68 B12R2.18 Cc1c([nH]c2c1cccc2)C A18504 [0,1,0,0,0,0|3,0,0]=4 69 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [0,1,0,0,0,0|2,0,0]=3 70 B12R2.18 c1ccc2c(c1)CC(C2=O)Br L12453 [0,1,0,0,0,0|1,0,0]=2 71 B12R2.18 c1ccc2c(c1)CC(C2O)Br A13511 [0,1,0,0,0,0|1,0,2]=4 72 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O H32066 [0,1,0,0,0,0|2,0,1]=4 73 B12R2.132 B1(c2cc(ccc2CO1)N)O H52629 [0,1,0,0,0,0|1,0,1]=3 74 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 L17559 [0,1,0,0,0,0|1,0,0]=2 75 B12R2.132 Cc1ccc2c(c1)c(cs2)C B20768 [0,1,0,0,0,0|3,0,0]=4 76 B12R2.132 Cc1csc2c1cc(cc2)Cl A11827 [0,1,0,0,0,0|3,0,0]=4 77 B12R2.132 Cc1csc2c1cc(cc2)F 43740 [0,1,0,0,0,0|3,0,0]=4 78 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 H54003 [0,1,0,0,0,0|1,0,0]=2 79 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)N H33351 [0,1,0,0,0,0|3,0,0]=4 80 B12R2.132 c1cc2c(cc1Cl)c(n[nH]2)Cl H33220 [0,1,0,0,0,0|3,0,0]=4 81 B12R2.132 c1cc2c(cc1F)C(=O)CC2 L17095 [0,1,0,0,0,0|1,0,0]=2 82 B12R2.132 c1cc2c(cc1I)c(n[nH]2)N H34227 [0,1,0,0,0,0|3,0,0]=4 83 B12R2.132 c1cc2c(cc1N)C(=O)OC2 A18896 [0,1,0,0,0,0|0,0,0]=1 84 B12R2.196 c1cc2c(c(c1)Br)CCC2=O H56937 [0,1,0,0,0,0|1,0,0]=2 85 B12R2.196 c1cc2c(c(c1)F)CCC2=O H59356 [0,1,0,0,0,0|1,0,0]=2 86 B12R2.196 c1cc2c(c(c1)O)CCC2=O H56184 [0,1,0,0,0,0|1,0,0]=2 87 B12R2.203 Cc1c[nH]c2c1c(ccc2)Br H37430 [0,1,0,0,0,0|3,0,0]=4 88 B12R2.203 c1cc2c(c(c1)Br)c(n[nH]2)N H33460 [0,1,0,0,0,0|3,0,0]=4 89 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)I H36741 [0,1,0,0,0,0|3,0,0]=4 90 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)N H34143 [0,1,0,0,0,0|3,0,0]=4 91 B12R2.203 c1cc2c(c(c1)F)c(n[nH]2)N H64990 [0,1,0,0,0,0|3,0,0]=4 92 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 H66850 [0,1,0,0,0,0|1,0,0]=2 93 B12R2.612 Cc1ccc2c(c1)CCC2=O H66814 [0,1,0,0,0,0|1,0,0]=2 94 B12R2.612 Cc1ccc2c(c1)no[n+]2[O-] A15124 [0,1,0,0,0,0|2,0,1]=4 95 B12R2.612 c1cc2c(cc1Br)CCC2=O B25707 [0,1,0,0,0,0|1,0,0]=2 96 B12R2.612 c1cc2c(cc1Br)CNC2=O H52358 [0,1,0,0,0,0|1,0,0]=2 97 B12R2.612 c1cc2c(cc1Br)COC2=O H33891 [0,1,0,0,0,0|0,0,0]=1 98 B12R2.612 c1cc2c(cc1Br)[nH]nc2N H34095 [0,1,0,0,0,0|3,0,0]=4 99 B12R2.612 c1cc2c(cc1Cl)CCC2=O A18308 [0,1,0,0,0,0|1,0,0]=2 100 B12R2.612 c1cc2c(cc1Cl)no[n+]2[O-] A14261 [0,1,0,0,0,0|2,0,1]=4 101 B12R2.612 c1cc2c(cc1F)CCC2=O L10949 [0,1,0,0,0,0|1,0,0]=2 102 B12R2.612 c1cc2c(cc1N)CCC2=O H66425 [0,1,0,0,0,0|1,0,0]=2 103 B12R2.612 c1cc2c(cc1N)COC2=O H66457 [0,1,0,0,0,0|0,0,0]=1 104 B12R2.612 c1cc2c(cc1N)[nH]nc2Cl H61445 [0,1,0,0,0,0|3,0,0]=4 105 B12R2.612 c1cc2c(cc1O)OCC2=O L10951 [0,1,0,0,0,0|2,0,0]=3 106 B12R2.2028 Cn1c2ccccc2c(n1)N H34285 [0,1,0,0,0,0|3,0,0]=4 107 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O B25118 [0,1,0,0,0,0|1,0,1]=3 108 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O A12206 [0,1,0,0,0,0|1,0,1]=3 109 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O A12584 [0,1,0,0,0,0|1,0,1]=3 110 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O 41771 [0,1,0,0,0,0|0,0,1]=2 111 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O A14955 [0,1,0,0,0,0|0,0,1]=2 112 B12R2.2028 c1ccc2c(c1)C(=O)[N-]C2=O A11134 [0,1,0,0,0,0|1,0,1]=3 113 B12R2.2028 c1cncc2c1C(=O)NC2=O H31758 [0,1,0,0,0,0|2,0,1]=4 114 B12R2.2028 c1cncc2c1C(=O)OC2=O A10771 [0,1,0,0,0,0|1,0,1]=3 115 B12R2.2403 c1ccc2c(c1)C=CS2(=O)=O A14063 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.15 CCC(=O)c1ccccc1 A15140 [0,0,1,0,0,0|1,0,0]=2 117 B10R1.15 CCC(=O)c1cccnc1 L09711 [0,0,1,0,0,0|2,0,0]=3 118 B10R1.15 CCC(=O)c1ccncc1 L11552 [0,0,1,0,0,0|2,0,0]=3 119 B10R1.15 CCC(C)c1ccccc1 B22962 [0,0,1,0,0,0|2,0,1]=4 120 B10R1.15 CCC(c1ccccc1)O A10830 [0,0,1,0,0,0|1,0,2]=4 121 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [0,0,1,0,0,0|2,0,1]=4 122 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [0,0,1,0,0,0|1,0,2]=4 123 B10R1.15 CC[C@H](c1ccccc1)N L16319 [0,0,1,0,0,0|2,0,1]=4 124 B10R1.15 CC[C@H](c1ccccc1)O L05681 [0,0,1,0,0,0|1,0,2]=4 125 B10R1.15 CNC(=O)c1ccccc1 A18057 [0,0,1,0,0,0|1,0,0]=2 126 B10R1.15 COC(=O)c1ccccc1 44368 [0,0,1,0,0,0|0,0,0]=1 127 B10R1.15 COC(=O)c1ccccc1 A12404 [0,0,1,0,0,0|0,0,0]=1 128 B10R1.15 COC(=O)c1ccccn1 H54530 [0,0,1,0,0,0|1,0,0]=2 129 B10R1.15 COC(=O)c1cccnc1 B23908 [0,0,1,0,0,0|1,0,0]=2 130 B10R1.15 COC(=O)c1ccncc1 B23263 [0,0,1,0,0,0|1,0,0]=2 131 B10R1.15 COC(=O)c1ccnnc1 H27449 [0,0,1,0,0,0|2,0,0]=3 132 B10R1.15 COC(=O)c1cnccn1 A12028 [0,0,1,0,0,0|2,0,0]=3 133 B10R1.15 CSC(=N)c1ccccn1 H51786 [0,0,1,0,0,0|2,1,0]=4 134 B10R1.15 CSC(=N)c1cccnc1 H51776 [0,0,1,0,0,0|2,1,0]=4 135 B10R1.15 CSC(=N)c1ccncc1 H51774 [0,0,1,0,0,0|2,1,0]=4 136 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [0,0,1,0,0,0|3,0,0]=4 137 B10R1.15 c1cc(cnc1)C(=O)NN L02059 [0,0,1,0,0,0|3,0,0]=4 138 B10R1.15 c1cc(cnc1)C(=O)[NH2+][O-] H61292 [0,0,1,0,0,0|3,0,0]=4 139 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [0,0,1,0,0,0|2,0,0]=3 140 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [0,0,1,0,0,0|2,0,0]=3 141 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [0,0,1,0,0,0|2,0,0]=3 142 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [0,0,1,0,0,0|2,0,0]=3 143 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [0,0,1,0,0,0|2,0,0]=3 144 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [0,0,1,0,0,0|2,0,0]=3 145 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [0,0,1,0,0,0|2,0,0]=3 146 B10R1.15 c1ccc(cc1)\C(=N\O)\N H26068 [0,0,1,0,0,0|3,0,0]=4 147 B10R1.15 c1cnccc1C(=O)CBr H32285 [0,0,1,0,0,0|3,0,0]=4 148 B10R1.15 c1cnccc1C(=O)NN A10583 [0,0,1,0,0,0|3,0,0]=4 149 B10R1.17 C#CCCc1ccccc1 L12946 [0,0,1,0,0,0|2,0,1]=4 150 B10R1.17 C=CCNc1ccccc1 H55821 [0,0,1,0,0,0|3,0,0]=4 151 B10R1.17 C=CCOc1ccccc1 L03359 [0,0,1,0,0,0|3,0,0]=4 152 B10R1.17 C=CCSc1ccccc1 L04771 [0,0,1,0,0,0|3,0,0]=4 153 B10R1.17 CCCCc1ccccc1 A10910 [0,0,1,0,0,0|2,0,1]=4 154 B10R1.17 CCNCc1ccccc1 L05651 [0,0,1,0,0,0|2,0,1]=4 155 B10R1.17 c1cc(cnc1)\C=C\C=O L14006 [0,0,1,0,0,0|2,0,1]=4 156 B10R1.17 c1ccc(cc1)CCC#N L06483 [0,0,1,0,0,0|2,0,1]=4 157 B10R1.17 c1ccc(cc1)CCC=O A10367 [0,0,1,0,0,0|1,0,0]=2 158 B10R1.17 c1ccc(cc1)CCCBr A14050 [0,0,1,0,0,0|2,0,1]=4 159 B10R1.17 c1ccc(cc1)CCCCl B20445 [0,0,1,0,0,0|2,0,1]=4 160 B10R1.17 c1ccc(cc1)CCCI H53420 [0,0,1,0,0,0|2,0,1]=4 161 B10R1.17 c1ccc(cc1)CCCN L03023 [0,0,1,0,0,0|2,0,1]=4 162 B10R1.17 c1ccc(cc1)CCCO A13022 [0,0,1,0,0,0|1,0,2]=4 163 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [0,0,1,0,0,0|2,0,1]=4 164 B10R1.17 c1ccc(cc1)CN=C=O L02633 [0,0,1,0,0,0|1,0,1]=3 165 B10R1.17 c1ccc(cc1)CN=C=S A15008 [0,0,1,0,0,0|1,1,1]=4 166 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] 32635 [0,0,1,0,0,0|3,0,0]=4 167 B10R1.17 c1ccc(cc1)CNC=O B23722 [0,0,1,0,0,0|1,0,0]=2 168 B10R1.17 c1ccc(cc1)COC=O L13405 [0,0,1,0,0,0|0,0,0]=1 169 B10R1.17 c1ccc(cc1)COCCl H60207 [0,0,1,0,0,0|1,0,1]=3 170 B10R1.17 c1ccc(cc1)CSC#N B23902 [0,0,1,0,0,0|1,1,1]=4 171 B10R1.17 c1ccc(cc1)\C=C\C=O A14689 [0,0,1,0,0,0|1,0,1]=3 172 B10R1.20 C=Cc1ccccc1C=C 42804 [0,0,1,0,0,0|2,0,1]=4 173 B10R1.20 C=Cc1ccccc1C=C 42805 [0,0,1,0,0,0|2,0,1]=4 174 B10R1.20 CCc1ccccc1CC A19548 [0,0,1,0,0,0|2,0,1]=4 175 B10R1.20 CCc1ccccc1CC L18775 [0,0,1,0,0,0|2,0,1]=4 176 B10R1.20 CCc1ccccc1NN A16853 [0,0,1,0,0,0|3,0,0]=4 177 B10R1.20 COc1c(cccn1)C=O H50087 [0,0,1,0,0,0|3,0,0]=4 178 B10R1.20 COc1ccccc1C=O A10770 [0,0,1,0,0,0|2,0,0]=3 179 B10R1.20 COc1ccccc1CN L02273 [0,0,1,0,0,0|3,0,0]=4 180 B10R1.20 COc1ccccc1CO A14016 [0,0,1,0,0,0|2,0,0]=3 181 B10R1.20 COc1ccccc1C[Mg+] H54177 [0,0,1,0,0,0|3,0,0]=4 182 B10R1.20 c1ccc(c(c1)C=O)C#N H29027 [0,0,1,0,0,0|1,0,1]=3 183 B10R1.20 c1ccc(c(c1)C=O)C=O A13299 [0,0,1,0,0,0|0,0,2]=3 184 B10R1.20 c1ccc(c(c1)CBr)C#N B24278 [0,0,1,0,0,0|2,0,1]=4 185 B10R1.20 c1ccc(c(c1)CBr)CBr A17241 [0,0,1,0,0,0|2,0,1]=4 186 B10R1.20 c1ccc(c(c1)CCl)CCl A12500 [0,0,1,0,0,0|2,0,1]=4 187 B10R1.20 c1ccc(c(c1)CO)CO B23008 [0,0,1,0,0,0|0,0,2]=3 188 B10R1.61 B(c1ccccc1Br)(O)O L18581 [0,0,1,0,0,0|2,0,1]=4 189 B10R1.61 B(c1ccccc1C)(O)O B23154 [0,0,1,0,0,0|1,0,1]=3 190 B10R1.61 B(c1ccccc1Cl)(O)O B23324 [0,0,1,0,0,0|2,0,1]=4 191 B10R1.61 B(c1ccccc1F)(O)O B23103 [0,0,1,0,0,0|2,0,1]=4 192 B10R1.61 B(c1ccccc1N)(O)O L18069 [0,0,1,0,0,0|2,0,1]=4 193 B10R1.61 B(c1ccccc1O)(O)O L19400 [0,0,1,0,0,0|2,0,1]=4 194 B10R1.61 CC(=O)c1ccccc1Br A11982 [0,0,1,0,0,0|2,0,0]=3 195 B10R1.61 CC(=O)c1ccccc1Cl A15232 [0,0,1,0,0,0|2,0,0]=3 196 B10R1.61 CC(=O)c1ccccc1F A15128 [0,0,1,0,0,0|2,0,0]=3 197 B10R1.61 CC(=O)c1ccccc1I B25345 [0,0,1,0,0,0|2,0,0]=3 198 B10R1.61 CC(=O)c1ccccc1N A10895 [0,0,1,0,0,0|2,0,0]=3 199 B10R1.61 CC(=O)c1ccccc1O A12550 [0,0,1,0,0,0|2,0,0]=3 200 B10R1.61 CC(c1ccccc1Cl)O B24800 [0,0,1,0,0,0|2,0,1]=4 201 B10R1.61 CC(c1ccccc1F)O H31900 [0,0,1,0,0,0|2,0,1]=4 202 B10R1.61 C[C@@H](c1ccccc1Cl)O H60935 [0,0,1,0,0,0|2,0,1]=4 203 B10R1.61 C[C@H](c1ccccc1Br)O H56003 [0,0,1,0,0,0|2,0,1]=4 204 B10R1.61 C[C@H](c1ccccc1Cl)O H60061 [0,0,1,0,0,0|2,0,1]=4 205 B10R1.61 Cc1c(nccn1)C(=O)C A15054 [0,0,1,0,0,0|3,0,0]=4 206 B10R1.61 Cc1ccccc1C(=C)C H26073 [0,0,1,0,0,0|2,0,0]=3 207 B10R1.61 Cc1ccccc1C(=O)C A11695 [0,0,1,0,0,0|1,0,0]=2 208 B10R1.61 Cc1ccccc1C(=O)Cl A10775 [0,0,1,0,0,0|1,0,0]=2 209 B10R1.61 Cc1ccccc1C(=O)O A13856 [0,0,1,0,0,0|0,0,0]=1 210 B10R1.61 Cc1ccccc1C(=S)N H51790 [0,0,1,0,0,0|1,1,0]=3 211 B10R1.61 Cc1ccccc1C(C)O L08065 [0,0,1,0,0,0|1,0,1]=3 212 B10R1.61 Cc1ccccc1[N+](=O)[O-] A13446 [0,0,1,0,0,0|1,0,1]=3 213 B10R1.61 Cc1cccnc1C(=S)N H51794 [0,0,1,0,0,0|2,1,0]=4 214 B10R1.61 Cc1ccncc1C(=O)C H33380 [0,0,1,0,0,0|2,0,0]=3 215 B10R1.61 Cc1ccncc1C(=O)O B22367 [0,0,1,0,0,0|1,0,0]=2 216 B10R1.61 Cc1ccncc1[N+](=O)[O-] H29144 [0,0,1,0,0,0|2,0,1]=4 217 B10R1.61 Cc1ccncc1[N+](=O)[O-] L07398 [0,0,1,0,0,0|2,0,1]=4 218 B10R1.61 c1cc(c(nc1)Br)C(=O)O H30239 [0,0,1,0,0,0|2,0,0]=3 219 B10R1.61 c1cc(c(nc1)C(=O)O)Br H64258 [0,0,1,0,0,0|2,0,0]=3 220 B10R1.61 c1cc(c(nc1)C(=O)O)Cl H26024 [0,0,1,0,0,0|2,0,0]=3 221 B10R1.61 c1cc(c(nc1)C(=O)O)F H61458 [0,0,1,0,0,0|2,0,0]=3 222 B10R1.61 c1cc(c(nc1)C(=O)O)N H64861 [0,0,1,0,0,0|2,0,0]=3 223 B10R1.61 c1cc(c(nc1)C(=O)O)O L07489 [0,0,1,0,0,0|2,0,0]=3 224 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl A11048 [0,0,1,0,0,0|3,0,0]=4 225 B10R1.61 c1cc(c(nc1)Cl)C(=O)N A12090 [0,0,1,0,0,0|3,0,0]=4 226 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A17082 [0,0,1,0,0,0|2,0,0]=3 227 B10R1.61 c1cc(c(nc1)F)C(=O)O L19442 [0,0,1,0,0,0|2,0,0]=3 228 B10R1.61 c1cc(c(nc1)N)C(=O)N H66202 [0,0,1,0,0,0|3,0,0]=4 229 B10R1.61 c1cc(c(nc1)N)C(=O)O A11195 [0,0,1,0,0,0|2,0,0]=3 230 B10R1.61 c1cc(c(nc1)O)C(=O)O A15986 [0,0,1,0,0,0|2,0,0]=3 231 B10R1.61 c1cc(c(nc1)S)C(=O)O A14683 [0,0,1,0,0,0|2,0,0]=3 232 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br A14520 [0,0,1,0,0,0|2,0,0]=3 233 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl A14785 [0,0,1,0,0,0|2,0,0]=3 234 B10R1.61 c1ccc(c(c1)C(=O)Cl)F A16096 [0,0,1,0,0,0|2,0,0]=3 235 B10R1.61 c1ccc(c(c1)C(=O)Cl)I A13558 [0,0,1,0,0,0|2,0,0]=3 236 B10R1.61 c1ccc(c(c1)C(=O)N)Br A18331 [0,0,1,0,0,0|2,0,0]=3 237 B10R1.61 c1ccc(c(c1)C(=O)N)Cl A15706 [0,0,1,0,0,0|2,0,0]=3 238 B10R1.61 c1ccc(c(c1)C(=O)N)F L07870 [0,0,1,0,0,0|2,0,0]=3 239 B10R1.61 c1ccc(c(c1)C(=O)N)N A14756 [0,0,1,0,0,0|2,0,0]=3 240 B10R1.61 c1ccc(c(c1)C(=O)N)O A10797 [0,0,1,0,0,0|2,0,0]=3 241 B10R1.61 c1ccc(c(c1)C(=O)O)Br A13608 [0,0,1,0,0,0|1,0,0]=2 242 B10R1.61 c1ccc(c(c1)C(=O)O)Cl A10832 [0,0,1,0,0,0|1,0,0]=2 243 B10R1.61 c1ccc(c(c1)C(=O)O)F A11015 [0,0,1,0,0,0|1,0,0]=2 244 B10R1.61 c1ccc(c(c1)C(=O)O)I A10563 [0,0,1,0,0,0|1,0,0]=2 245 B10R1.61 c1ccc(c(c1)C(=O)O)N A12715 [0,0,1,0,0,0|1,0,0]=2 246 B10R1.61 c1ccc(c(c1)C(=O)O)O 30782 [0,0,1,0,0,0|1,0,0]=2 247 B10R1.61 c1ccc(c(c1)C(=O)O)O A12253 [0,0,1,0,0,0|1,0,0]=2 248 B10R1.61 c1ccc(c(c1)C(=O)O)S A13401 [0,0,1,0,0,0|1,0,0]=2 249 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 18585 [0,0,1,0,0,0|1,0,1]=3 250 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39356 [0,0,1,0,0,0|1,0,1]=3 251 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39379 [0,0,1,0,0,0|1,0,1]=3 252 B10R1.61 c1ccc(c(c1)C(=O)[O-])O A17056 [0,0,1,0,0,0|1,0,1]=3 253 B10R1.61 c1ccc(c(c1)C(=S)N)Br H55238 [0,0,1,0,0,0|2,1,0]=4 254 B10R1.61 c1ccc(c(c1)C(=S)N)Cl L11180 [0,0,1,0,0,0|2,1,0]=4 255 B10R1.61 c1ccc(c(c1)C(=S)N)N H51809 [0,0,1,0,0,0|2,1,0]=4 256 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] A11055 [0,0,1,0,0,0|2,0,1]=4 257 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br A11686 [0,0,1,0,0,0|2,0,1]=4 258 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl A15403 [0,0,1,0,0,0|2,0,1]=4 259 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F A13852 [0,0,1,0,0,0|2,0,1]=4 260 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I A12100 [0,0,1,0,0,0|2,0,1]=4 261 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O A12333 [0,0,1,0,0,0|2,0,1]=4 262 B10R1.61 c1cnc(c(n1)C(=O)O)N B23707 [0,0,1,0,0,0|3,0,0]=4 263 B10R1.61 c1cncc(c1Br)C(=O)O H66322 [0,0,1,0,0,0|2,0,0]=3 264 B10R1.61 c1cncc(c1C(=O)O)Br H31047 [0,0,1,0,0,0|2,0,0]=3 265 B10R1.61 c1cncc(c1C(=O)O)Cl H63669 [0,0,1,0,0,0|2,0,0]=3 266 B10R1.61 c1cncc(c1C(=O)O)F L20042 [0,0,1,0,0,0|2,0,0]=3 267 B10R1.61 c1cncc(c1C(=O)O)N H28714 [0,0,1,0,0,0|2,0,0]=3 268 B10R1.61 c1cncc(c1C(=O)O)O H63465 [0,0,1,0,0,0|2,0,0]=3 269 B10R1.61 c1cncc(c1Cl)C(=O)O L20029 [0,0,1,0,0,0|2,0,0]=3 270 B10R1.61 c1cncc(c1N)C(=O)O H50032 [0,0,1,0,0,0|2,0,0]=3 271 B10R1.61 c1cncc(c1O)C(=O)O H32282 [0,0,1,0,0,0|2,0,0]=3 272 B12R2.24 Cc1cc2ccccc2nc1 A13109 [0,0,0,0,0,1|3,0,0]=4 273 B12R2.24 Cc1ccc2ccccc2c1 L02459 [0,0,0,0,0,1|2,0,1]=4 274 B12R2.24 Cc1ccc2ccccc2n1 A13412 [0,0,0,0,0,1|2,0,1]=4 275 B12R2.24 Cc1cnc2ccccc2n1 A15895 [0,0,0,0,0,1|3,0,0]=4 276 B12R2.24 c1cc(=O)[nH]c2c1cncc2 H50121 [0,0,0,0,0,1|2,0,1]=4 277 B12R2.24 c1cc2c(nc1)NC(=O)CO2 L08473 [0,0,0,0,0,1|3,0,0]=4 278 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [0,0,0,0,0,1|1,0,0]=2 279 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [0,0,0,0,0,1|1,0,0]=2 280 B12R2.24 c1ccc2c(c1)CCC(=O)O2 B21229 [0,0,0,0,0,1|1,0,0]=2 281 B12R2.24 c1ccc2c(c1)CCC(C2)N H66652 [0,0,0,0,0,1|2,0,1]=4 282 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [0,0,0,0,0,1|1,0,0]=2 283 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [0,0,0,0,0,1|2,0,0]=3 284 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [0,0,0,0,0,1|2,0,0]=3 285 B12R2.24 c1ccc2c(c1)cc(cn2)Br A14573 [0,0,0,0,0,1|3,0,0]=4 286 B12R2.24 c1ccc2c(c1)cc(cn2)N A16592 [0,0,0,0,0,1|3,0,0]=4 287 B12R2.24 c1ccc2c(c1)cc(cn2)[Zn+] H58426 [0,0,0,0,0,1|3,0,0]=4 288 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [0,0,0,0,0,1|1,0,1]=3 289 B12R2.24 c1ccc2c(c1)ccc(n2)Br H27302 [0,0,0,0,0,1|2,0,1]=4 290 B12R2.24 c1ccc2c(c1)ccc(n2)Cl B23443 [0,0,0,0,0,1|2,0,1]=4 291 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [0,0,0,0,0,1|1,0,2]=4 292 B12R2.24 c1ccc2c(c1)ccc(n2)S H55749 [0,0,0,0,0,1|1,1,1]=4 293 B12R2.24 c1ccc2c(c1)ncc(n2)Br H61967 [0,0,0,0,0,1|3,0,0]=4 294 B12R2.24 c1ccc2cc(ccc2c1)Br A15300 [0,0,0,0,0,1|2,0,1]=4 295 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [0,0,0,0,0,1|1,0,2]=4 296 B12R2.24 c1ccc2cc(ccc2c1)[Mg+] H51160 [0,0,0,0,0,1|2,0,1]=4 297 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [0,0,0,0,0,1|1,0,2]=4 298 B12R2.1081 B1(c2ccccc2CCO1)O H52672 [0,0,0,0,0,1|1,0,1]=3 299 B12R2.1081 CC1c2ccccc2CCN1 H64191 [0,0,0,0,0,1|2,0,1]=4 300 B12R2.1081 Cc1c2ccccc2ccn1 H27029 [0,0,0,0,0,1|2,0,1]=4 301 B12R2.1081 Cc1cccc2c1cccc2 A15327 [0,0,0,0,0,1|2,0,1]=4 302 B12R2.1081 Cc1ccnc2c1cccc2 A14040 [0,0,0,0,0,1|2,0,1]=4 303 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 A11242 [0,0,0,0,0,1|1,0,0]=2 304 B12R2.1081 c1ccc2c(c1)C(CCO2)O A14940 [0,0,0,0,0,1|1,0,2]=4 305 B12R2.1081 c1ccc2c(c1)CCCC2=O A13303 [0,0,0,0,0,1|1,0,0]=2 306 B12R2.1081 c1ccc2c(c1)CCCC2N B25673 [0,0,0,0,0,1|2,0,1]=4 307 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N L17022 [0,0,0,0,0,1|2,0,1]=4 308 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N L17021 [0,0,0,0,0,1|2,0,1]=4 309 B12R2.1081 c1ccc2c(c1)COCC2=O H61539 [0,0,0,0,0,1|0,0,0]=1 310 B12R2.1081 c1ccc2c(c1)CSCC2=O L07948 [0,0,0,0,0,1|0,1,0]=2 311 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 A19798 [0,0,0,0,0,1|2,0,0]=3 312 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl H56721 [0,0,0,0,0,1|2,0,1]=4 313 B12R2.1081 c1ccc2c(c1)c(ccn2)O A15859 [0,0,0,0,0,1|1,0,2]=4 314 B12R2.1081 c1ccc2c(c1)c(ncn2)N H66948 [0,0,0,0,0,1|2,0,1]=4 315 B12R2.1081 c1ccc2c(c1)c(ncn2)O A17129 [0,0,0,0,0,1|1,0,2]=4 316 B12R2.1081 c1ccc2c(c1)cccc2Br A14122 [0,0,0,0,0,1|2,0,1]=4 317 B12R2.1081 c1ccc2c(c1)cccc2Cl A15029 [0,0,0,0,0,1|2,0,1]=4 318 B12R2.1081 c1ccc2c(c1)cccc2F A18378 [0,0,0,0,0,1|2,0,1]=4 319 B12R2.1081 c1ccc2c(c1)cccc2I B22644 [0,0,0,0,0,1|2,0,1]=4 320 B12R2.1081 c1ccc2c(c1)cccc2N 44088 [0,0,0,0,0,1|2,0,1]=4 321 B12R2.1081 c1ccc2c(c1)cccc2N H60409 [0,0,0,0,0,1|2,0,1]=4 322 B12R2.1081 c1ccc2c(c1)cccc2O A11862 [0,0,0,0,0,1|1,0,2]=4 323 B12R2.1081 c1ccc2c(c1)cccc2S B24876 [0,0,0,0,0,1|1,1,1]=4 324 B12R2.1081 c1ccc2c(c1)cccc2[Mg+] H51159 [0,0,0,0,0,1|2,0,1]=4 325 B12R2.1081 c1ccc2c(c1)ccnc2Cl L17831 [0,0,0,0,0,1|2,0,1]=4 326 B12R2.1081 c1ccc2c(c1)ccnc2O H29124 [0,0,0,0,0,1|1,0,2]=4 327 B12R2.1081 c1ccc2c(c1)cncc2Br A15951 [0,0,0,0,0,1|2,0,1]=4 328 B12R2.1081 c1ccc2c(c1)cnnc2Cl H27143 [0,0,0,0,0,1|2,0,1]=4 329 B9R1.6 B(c1ccccc1)(O)O A14257 [1,0,1,0,0,0|1,0,1]=4 330 B9R1.6 B(c1ccccc1)(O)O L19459 [1,0,1,0,0,0|1,0,1]=4 331 B9R1.6 CC(=C)c1ccccc1 L03609 [1,0,1,0,0,0|1,0,0]=3 332 B9R1.6 CC(=O)c1ccccc1 A12727 [1,0,1,0,0,0|0,0,0]=2 333 B9R1.6 CC(=O)c1ccccn1 A12688 [1,0,1,0,0,0|1,0,0]=3 334 B9R1.6 CC(=O)c1cccnc1 A14246 [1,0,1,0,0,0|1,0,0]=3 335 B9R1.6 CC(=O)c1ccncc1 A12015 [1,0,1,0,0,0|1,0,0]=3 336 B9R1.6 CC(=O)c1ccnnc1 H66461 [1,0,1,0,0,0|2,0,0]=4 337 B9R1.6 CC(=O)c1cnccn1 A15917 [1,0,1,0,0,0|2,0,0]=4 338 B9R1.6 CC(C)c1ccccc1 A11864 [1,0,1,0,0,0|1,0,1]=4 339 B9R1.6 CC(c1ccccc1)Br A16839 [1,0,1,0,0,0|1,0,1]=4 340 B9R1.6 CC(c1ccccc1)N A15711 [1,0,1,0,0,0|1,0,1]=4 341 B9R1.6 CC(c1ccccc1)O A13837 [1,0,1,0,0,0|0,0,2]=4 342 B9R1.6 CC(c1ccccc1)S H26345 [1,0,1,0,0,0|0,1,1]=4 343 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [1,0,1,0,0,0|1,0,1]=4 344 B9R1.6 CN(C)c1ccccc1 A11916 [1,0,1,0,0,0|2,0,0]=4 345 B9R1.6 CN(c1ccccc1)N B22440 [1,0,1,0,0,0|2,0,0]=4 346 B9R1.6 CP(C)c1ccccc1 A17975 [1,0,1,0,0,0|2,0,0]=4 347 B9R1.6 CS(=O)c1ccccc1 A15009 [1,0,1,0,0,0|1,0,0]=3 348 B9R1.6 C[C@@H](c1ccccc1)N A12632 [1,0,1,0,0,0|1,0,1]=4 349 B9R1.6 C[C@@H](c1ccccc1)N L19118 [1,0,1,0,0,0|1,0,1]=4 350 B9R1.6 C[C@@H](c1ccccc1)O B21188 [1,0,1,0,0,0|0,0,2]=4 351 B9R1.6 C[C@H](c1ccccc1)N A10967 [1,0,1,0,0,0|1,0,1]=4 352 B9R1.6 C[C@H](c1ccccc1)N L19117 [1,0,1,0,0,0|1,0,1]=4 353 B9R1.6 C[C@H](c1ccccc1)O L19296 [1,0,1,0,0,0|0,0,2]=4 354 B9R1.6 C[SiH](C)c1ccccc1 L04558 [1,0,1,0,0,0|1,1,0]=4 355 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [1,0,1,0,0,0|1,0,0]=3 356 B9R1.6 c1c(cncn1)C(=O)O H61406 [1,0,1,0,0,0|2,0,0]=4 357 B9R1.6 c1cc(cnc1)C(=O)Cl A15317 [1,0,1,0,0,0|2,0,0]=4 358 B9R1.6 c1cc(cnc1)C(=O)N A15970 [1,0,1,0,0,0|2,0,0]=4 359 B9R1.6 c1cc(cnc1)C(=O)O A12683 [1,0,1,0,0,0|1,0,0]=3 360 B9R1.6 c1cc(cnc1)C(=O)[O-] B22224 [1,0,1,0,0,0|1,0,1]=4 361 B9R1.6 c1cc(nnc1)C(=O)O H34341 [1,0,1,0,0,0|2,0,0]=4 362 B9R1.6 c1ccc(cc1)C(=N)N A16002 [1,0,1,0,0,0|2,0,0]=4 363 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [1,0,1,0,0,0|1,0,0]=3 364 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [1,0,1,0,0,0|1,0,0]=3 365 B9R1.6 c1ccc(cc1)C(=O)F L11464 [1,0,1,0,0,0|1,0,0]=3 366 B9R1.6 c1ccc(cc1)C(=O)N A10501 [1,0,1,0,0,0|1,0,0]=3 367 B9R1.6 c1ccc(cc1)C(=O)O 36230 [1,0,1,0,0,0|0,0,0]=2 368 B9R1.6 c1ccc(cc1)C(=O)O A14062 [1,0,1,0,0,0|0,0,0]=2 369 B9R1.6 c1ccc(cc1)C(=O)O H25864 [1,0,1,0,0,0|0,0,0]=2 370 B9R1.6 c1ccc(cc1)C(=O)O L19473 [1,0,1,0,0,0|0,0,0]=2 371 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [1,0,1,0,0,0|0,0,1]=3 372 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [1,0,1,0,0,0|0,0,1]=3 373 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [1,0,1,0,0,0|0,0,1]=3 374 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [1,0,1,0,0,0|0,0,1]=3 375 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [1,0,1,0,0,0|0,0,1]=3 376 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [1,0,1,0,0,0|0,0,1]=3 377 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [1,0,1,0,0,0|0,0,1]=3 378 B9R1.6 c1ccc(cc1)C(=S)N A12973 [1,0,1,0,0,0|1,1,0]=4 379 B9R1.6 c1ccc(cc1)C(=S)O B24458 [1,0,1,0,0,0|0,1,0]=3 380 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [1,0,1,0,0,0|0,1,1]=4 381 B9R1.6 c1ccc(cc1)P(=O)O A17453 [1,0,1,0,0,0|1,0,0]=3 382 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [1,0,1,0,0,0|1,0,1]=4 383 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [1,0,1,0,0,0|1,0,1]=4 384 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [1,0,1,0,0,0|1,0,1]=4 385 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [1,0,1,0,0,0|1,0,1]=4 386 B9R1.6 c1ccnc(c1)C(=O)N A15410 [1,0,1,0,0,0|2,0,0]=4 387 B9R1.6 c1ccnc(c1)C(=O)O A14749 [1,0,1,0,0,0|1,0,0]=3 388 B9R1.6 c1cnc(cn1)C(=O)O A13363 [1,0,1,0,0,0|2,0,0]=4 389 B9R1.6 c1cnc(nc1)C(=O)O H54745 [1,0,1,0,0,0|2,0,0]=4 390 B9R1.6 c1cnccc1C(=O)Cl A10863 [1,0,1,0,0,0|2,0,0]=4 391 B9R1.6 c1cnccc1C(=O)N A18190 [1,0,1,0,0,0|2,0,0]=4 392 B9R1.6 c1cnccc1C(=O)O A18109 [1,0,1,0,0,0|1,0,0]=3 393 B9R1.6 c1cncnc1C(=O)O H60022 [1,0,1,0,0,0|2,0,0]=4 394 B9R1.6 c1cnncc1C(=O)O H27246 [1,0,1,0,0,0|2,0,0]=4 395 B9R1.8 C#CCc1ccccc1 H53500 [1,0,1,0,0,0|1,0,1]=4 396 B9R1.8 C=CCc1ccccc1 A12965 [1,0,1,0,0,0|1,0,0]=3 397 B9R1.8 CC#Cc1ccccc1 A14272 [1,0,1,0,0,0|1,0,1]=4 398 B9R1.8 CCCc1ccccc1 B21468 [1,0,1,0,0,0|1,0,1]=4 399 B9R1.8 CCNc1ccccc1 A15060 [1,0,1,0,0,0|2,0,0]=4 400 B9R1.8 CCOc1ccccc1 A15501 [1,0,1,0,0,0|1,0,1]=4 401 B9R1.8 CCSc1ccccc1 A13987 [1,0,1,0,0,0|2,0,0]=4 402 B9R1.8 CNCc1ccccc1 A13746 [1,0,1,0,0,0|1,0,1]=4 403 B9R1.8 COCc1ccccc1 B23490 [1,0,1,0,0,0|0,0,1]=3 404 B9R1.8 C\N=C\c1ccccc1 B25161 [1,0,1,0,0,0|1,0,0]=3 405 B9R1.8 c1ccc(cc1)CC#N A10694 [1,0,1,0,0,0|1,0,1]=4 406 B9R1.8 c1ccc(cc1)CC=O A14263 [1,0,1,0,0,0|0,0,0]=2 407 B9R1.8 c1ccc(cc1)CCBr A12528 [1,0,1,0,0,0|1,0,1]=4 408 B9R1.8 c1ccc(cc1)CCCl L04891 [1,0,1,0,0,0|1,0,1]=4 409 B9R1.8 c1ccc(cc1)CCN A13402 [1,0,1,0,0,0|1,0,1]=4 410 B9R1.8 c1ccc(cc1)CCO A15241 [1,0,1,0,0,0|0,0,2]=4 411 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [1,0,1,0,0,0|1,0,1]=4 412 B9R1.8 c1ccc(cc1)CNN H54916 [1,0,1,0,0,0|2,0,0]=4 413 B9R1.8 c1ccc(cc1)CON A17393 [1,0,1,0,0,0|1,0,0]=3 414 B9R1.8 c1ccc(cc1)CON L13601 [1,0,1,0,0,0|1,0,0]=3 415 B9R1.8 c1ccc(cc1)N=C=O A12808 [1,0,1,0,0,0|1,0,1]=4 416 B9R1.8 c1ccc(cc1)N=S=O H59451 [1,0,1,0,0,0|1,1,0]=4 417 B9R1.8 c1ccc(cc1)NC=O A12472 [1,0,1,0,0,0|1,0,0]=3 418 B9R1.8 c1ccc(cc1)OC=O L00289 [1,0,1,0,0,0|0,0,0]=2 419 B9R1.8 c1ccc(cc1)\C=C\Br A16986 [1,0,1,0,0,0|1,0,1]=4 420 B9R1.8 c1ccc(cc1)\C=N\O A12053 [1,0,1,0,0,0|2,0,0]=4 421 B9R1.15 C=Cc1ccccc1Br B24181 [1,0,1,0,0,0|2,0,0]=4 422 B9R1.15 C=Cc1ccccc1Cl B21551 [1,0,1,0,0,0|2,0,0]=4 423 B9R1.15 C=Cc1ccccc1F A17425 [1,0,1,0,0,0|2,0,0]=4 424 B9R1.15 CCc1ccccc1Br B23449 [1,0,1,0,0,0|2,0,0]=4 425 B9R1.15 CCc1ccccc1C L02028 [1,0,1,0,0,0|1,0,1]=4 426 B9R1.15 CCc1ccccc1I A14509 [1,0,1,0,0,0|2,0,0]=4 427 B9R1.15 CCc1ccccc1N A14984 [1,0,1,0,0,0|2,0,0]=4 428 B9R1.15 CCc1ccccc1O L01637 [1,0,1,0,0,0|1,0,1]=4 429 B9R1.15 CCc1ccccc1S L11498 [1,0,1,0,0,0|1,1,0]=4 430 B9R1.15 CCc1ccccc1[Zn+] H58221 [1,0,1,0,0,0|2,0,0]=4 431 B9R1.15 COc1ccccc1O A16319 [1,0,1,0,0,0|2,0,0]=4 432 B9R1.15 CSc1ccccc1O L10128 [1,0,1,0,0,0|2,0,0]=4 433 B9R1.15 Cc1ccccc1C#N B22231 [1,0,1,0,0,0|1,0,1]=4 434 B9R1.15 Cc1ccccc1C=C A12676 [1,0,1,0,0,0|1,0,0]=3 435 B9R1.15 Cc1ccccc1C=O A10172 [1,0,1,0,0,0|0,0,0]=2 436 B9R1.15 Cc1ccccc1CBr B21717 [1,0,1,0,0,0|1,0,1]=4 437 B9R1.15 Cc1ccccc1CCl A13448 [1,0,1,0,0,0|1,0,1]=4 438 B9R1.15 Cc1ccccc1CN L05243 [1,0,1,0,0,0|1,0,1]=4 439 B9R1.15 Cc1ccccc1CO A12696 [1,0,1,0,0,0|0,0,1]=3 440 B9R1.15 Cc1ccccc1CS A15816 [1,0,1,0,0,0|0,1,1]=4 441 B9R1.15 Cc1ccccc1C[Mg+] H54170 [1,0,1,0,0,0|1,0,1]=4 442 B9R1.15 Cc1ccccc1NN A15767 [1,0,1,0,0,0|2,0,0]=4 443 B9R1.15 Cc1ccccc1OC A13897 [1,0,1,0,0,0|2,0,0]=4 444 B9R1.15 Cc1cccnc1C=O H56168 [1,0,1,0,0,0|1,0,0]=3 445 B9R1.15 c1cc(c(nc1)Br)CO H52318 [1,0,1,0,0,0|2,0,0]=4 446 B9R1.15 c1cc(c(nc1)C=O)F H61902 [1,0,1,0,0,0|2,0,0]=4 447 B9R1.15 c1cc(c(nc1)Cl)C=O H53399 [1,0,1,0,0,0|2,0,0]=4 448 B9R1.15 c1cc(c(nc1)Cl)CO H63341 [1,0,1,0,0,0|2,0,0]=4 449 B9R1.15 c1cc(c(nc1)N)C=O L19620 [1,0,1,0,0,0|2,0,0]=4 450 B9R1.15 c1cc(c(nc1)N)CO H50010 [1,0,1,0,0,0|2,0,0]=4 451 B9R1.15 c1ccc(c(c1)C#N)O A13606 [1,0,1,0,0,0|1,0,1]=4 452 B9R1.15 c1ccc(c(c1)C=O)Br A15065 [1,0,1,0,0,0|1,0,0]=3 453 B9R1.15 c1ccc(c(c1)C=O)Cl A13488 [1,0,1,0,0,0|1,0,0]=3 454 B9R1.15 c1ccc(c(c1)C=O)F A13800 [1,0,1,0,0,0|1,0,0]=3 455 B9R1.15 c1ccc(c(c1)C=O)I L17446 [1,0,1,0,0,0|1,0,0]=3 456 B9R1.15 c1ccc(c(c1)C=O)O A13833 [1,0,1,0,0,0|0,0,0]=2 457 B9R1.15 c1ccc(c(c1)CBr)Br A11285 [1,0,1,0,0,0|2,0,0]=4 458 B9R1.15 c1ccc(c(c1)CBr)Cl A12129 [1,0,1,0,0,0|2,0,0]=4 459 B9R1.15 c1ccc(c(c1)CBr)F A12692 [1,0,1,0,0,0|2,0,0]=4 460 B9R1.15 c1ccc(c(c1)CBr)I B21715 [1,0,1,0,0,0|2,0,0]=4 461 B9R1.15 c1ccc(c(c1)CCl)Br L11953 [1,0,1,0,0,0|2,0,0]=4 462 B9R1.15 c1ccc(c(c1)CCl)Cl A11900 [1,0,1,0,0,0|2,0,0]=4 463 B9R1.15 c1ccc(c(c1)CCl)F A11566 [1,0,1,0,0,0|2,0,0]=4 464 B9R1.15 c1ccc(c(c1)CN)Br A12412 [1,0,1,0,0,0|2,0,0]=4 465 B9R1.15 c1ccc(c(c1)CN)Br A18151 [1,0,1,0,0,0|2,0,0]=4 466 B9R1.15 c1ccc(c(c1)CN)Cl A15594 [1,0,1,0,0,0|2,0,0]=4 467 B9R1.15 c1ccc(c(c1)CN)F A15623 [1,0,1,0,0,0|2,0,0]=4 468 B9R1.15 c1ccc(c(c1)CO)Br A15700 [1,0,1,0,0,0|1,0,0]=3 469 B9R1.15 c1ccc(c(c1)CO)Cl A13657 [1,0,1,0,0,0|1,0,0]=3 470 B9R1.15 c1ccc(c(c1)CO)F A14791 [1,0,1,0,0,0|1,0,0]=3 471 B9R1.15 c1ccc(c(c1)CO)I L15126 [1,0,1,0,0,0|1,0,0]=3 472 B9R1.15 c1ccc(c(c1)CO)N A13180 [1,0,1,0,0,0|1,0,0]=3 473 B9R1.15 c1ccc(c(c1)CO)O A14410 [1,0,1,0,0,0|0,0,1]=3 474 B9R1.15 c1ccc(c(c1)CO)S L11536 [1,0,1,0,0,0|0,1,0]=3 475 B9R1.15 c1ccc(c(c1)CS)Br H26247 [1,0,1,0,0,0|1,1,0]=4 476 B9R1.15 c1ccc(c(c1)CS)Cl A15826 [1,0,1,0,0,0|1,1,0]=4 477 B9R1.15 c1ccc(c(c1)C[Mg+])Br H60066 [1,0,1,0,0,0|2,0,0]=4 478 B9R1.15 c1ccc(c(c1)C[Mg+])Cl H54820 [1,0,1,0,0,0|2,0,0]=4 479 B9R1.15 c1ccc(c(c1)C[Mg+])F H54881 [1,0,1,0,0,0|2,0,0]=4 480 B9R1.15 c1ccc(c(c1)C[Zn+])Br H58678 [1,0,1,0,0,0|2,0,0]=4 481 B9R1.15 c1ccc(c(c1)C[Zn+])F H58614 [1,0,1,0,0,0|2,0,0]=4 482 B9R1.15 c1cncc(c1C=O)Cl H55852 [1,0,1,0,0,0|2,0,0]=4 483 B9R1.15 c1cncc(c1C=O)N H50024 [1,0,1,0,0,0|2,0,0]=4 484 B9R1.15 c1cncc(c1Cl)CO H66522 [1,0,1,0,0,0|2,0,0]=4 485 B9R1.15 c1cncc(c1N)C=O H50028 [1,0,1,0,0,0|2,0,0]=4 486 B9R1.15 c1cncc(c1N)CO H50033 [1,0,1,0,0,0|2,0,0]=4 487 B11R1.7 CCS(=O)(=O)c1ccccc1 A10710 [0,1,1,0,0,0|2,0,0]=4 488 B11R1.7 CNS(=O)(=O)c1ccccc1 H55666 [0,1,1,0,0,0|2,0,0]=4 489 B11R1.7 COP(=O)(C)c1ccccc1 A18760 [0,1,1,0,0,0|1,0,0]=3 490 B11R1.7 COS(=O)(=O)c1ccccc1 B24515 [0,1,1,0,0,0|1,0,0]=3 491 B11R1.7 CO[Si](C)(C)c1ccccc1 H27165 [0,1,1,0,0,0|1,1,0]=4 492 B11R1.12 COC(c1ccccc1)OC A11009 [0,1,1,0,0,0|0,0,2]=4 493 B11R1.12 COP(c1ccccc1)OC A14006 [0,1,1,0,0,0|1,0,1]=4 494 B11R1.12 CO[C@@H](CO)c1ccccc1 L14044 [0,1,1,0,0,0|0,0,2]=4 495 B11R1.12 C\C=C(\C=O)/c1ccccc1 A14185 [0,1,1,0,0,0|1,0,0]=3 496 B11R1.16 C=COC(=O)c1ccccc1 B21805 [0,1,1,0,0,0|0,0,1]=3 497 B11R1.16 CCCC(=O)c1ccccc1 A11345 [0,1,1,0,0,0|1,0,0]=3 498 B11R1.16 CCOC(=N)c1ccccc1 L17684 [0,1,1,0,0,0|1,0,0]=3 499 B11R1.16 CCOC(=O)c1ccccc1 44283 [0,1,1,0,0,0|0,0,0]=2 500 B11R1.16 CCOC(=O)c1ccccc1 A13057 [0,1,1,0,0,0|0,0,0]=2 501 B11R1.16 CCOC(=O)c1ccccn1 A13973 [0,1,1,0,0,0|1,0,0]=3 502 B11R1.16 CCOC(=O)c1cccnc1 L03215 [0,1,1,0,0,0|1,0,0]=3 503 B11R1.16 CCOC(=O)c1ccncc1 L03010 [0,1,1,0,0,0|1,0,0]=3 504 B11R1.16 CCOC(=O)c1ccncn1 H64662 [0,1,1,0,0,0|2,0,0]=4 505 B11R1.16 c1ccc(cc1)C(=O)CC#N A14473 [0,1,1,0,0,0|1,0,1]=4 506 B11R1.16 c1ccc(cc1)C(=O)CCCl A12290 [0,1,1,0,0,0|1,0,0]=3 507 B11R1.16 c1ccc(cc1)C(=O)N=C=O A11583 [0,1,1,0,0,0|1,0,1]=4 508 B11R1.16 c1ccc(cc1)C(=O)N=C=S L06964 [0,1,1,0,0,0|1,0,1]=4 509 B11R1.16 c1ccc(cc1)C(=O)NCO A12250 [0,1,1,0,0,0|1,0,0]=3 510 B11R1.16 c1ccc(cc1)C(=O)SCO L00523 [0,1,1,0,0,0|0,1,0]=3 511 B11R1.16 c1ccc(cc1)C(=O)\C=N\O L02098 [0,1,1,0,0,0|2,0,0]=4 512 B11R1.22 CCC(=O)c1ccc(cc1)Br A14349 [0,1,1,0,0,0|1,0,0]=3 513 B11R1.22 CCC(=O)c1ccc(cc1)C B21673 [0,1,1,0,0,0|1,0,0]=3 514 B11R1.22 CCC(=O)c1ccc(cc1)Cl A11633 [0,1,1,0,0,0|1,0,0]=3 515 B11R1.22 CCC(=O)c1ccc(cc1)F A16219 [0,1,1,0,0,0|1,0,0]=3 516 B11R1.22 CCC(=O)c1ccc(cc1)O A15314 [0,1,1,0,0,0|1,0,0]=3 517 B11R1.22 CNC(=O)c1ccc(cc1)Br H57940 [0,1,1,0,0,0|1,0,0]=3 518 B11R1.22 CNC(=O)c1ccc(cc1)F H57798 [0,1,1,0,0,0|1,0,0]=3 519 B11R1.22 CNC(=O)c1ccc(cn1)Br H54947 [0,1,1,0,0,0|2,0,0]=4 520 B11R1.22 COC(=O)c1ccc(=O)oc1 B25330 [0,1,1,0,0,0|1,0,0]=3 521 B11R1.22 COC(=O)c1ccc(cc1)Br A15517 [0,1,1,0,0,0|0,0,0]=2 522 B11R1.22 COC(=O)c1ccc(cc1)Cl A10109 [0,1,1,0,0,0|0,0,0]=2 523 B11R1.22 COC(=O)c1ccc(cc1)F B21504 [0,1,1,0,0,0|0,0,0]=2 524 B11R1.22 COC(=O)c1ccc(cc1)I A19342 [0,1,1,0,0,0|0,0,0]=2 525 B11R1.22 COC(=O)c1ccc(cc1)N A11715 [0,1,1,0,0,0|0,0,0]=2 526 B11R1.22 COC(=O)c1ccc(cc1)O A14289 [0,1,1,0,0,0|0,0,0]=2 527 B11R1.22 COC(=O)c1ccc(cn1)Br B25415 [0,1,1,0,0,0|1,0,0]=3 528 B11R1.22 COC(=O)c1ccc(nc1)Cl A10396 [0,1,1,0,0,0|1,0,0]=3 529 B11R1.22 COC(=O)c1ccc(nc1)F H61302 [0,1,1,0,0,0|1,0,0]=3 530 B11R1.22 COC(=O)c1ccc(nc1)N H27575 [0,1,1,0,0,0|1,0,0]=3 531 B11R1.22 COC(=O)c1cnc(cn1)Br H66706 [0,1,1,0,0,0|2,0,0]=4 532 B11R1.22 COC(=O)c1cnc(cn1)Cl H66306 [0,1,1,0,0,0|2,0,0]=4 533 B11R1.22 COC(=O)c1ncc(cn1)Br H61339 [0,1,1,0,0,0|2,0,0]=4 534 B11R1.22 Cc1ccc(cc1)C(=O)CBr B25217 [0,1,1,0,0,0|2,0,0]=4 535 B11R1.22 Cc1ccc(cc1)C(=O)NC H56446 [0,1,1,0,0,0|1,0,0]=3 536 B11R1.22 Cc1ccc(cc1)C(=O)NN A12604 [0,1,1,0,0,0|2,0,0]=4 537 B11R1.22 Cc1ccc(cc1)C(=O)OC B23111 [0,1,1,0,0,0|0,0,0]=2 538 B11R1.22 Cc1ccc(cn1)C(=O)OC L12276 [0,1,1,0,0,0|1,0,0]=3 539 B11R1.22 c1cc(ccc1C(=O)C=O)F L20272 [0,1,1,0,0,0|2,0,0]=4 540 B11R1.22 c1cc(ccc1C(=O)CBr)Br A13687 [0,1,1,0,0,0|2,0,0]=4 541 B11R1.22 c1cc(ccc1C(=O)CBr)Cl A12607 [0,1,1,0,0,0|2,0,0]=4 542 B11R1.22 c1cc(ccc1C(=O)CBr)F A15319 [0,1,1,0,0,0|2,0,0]=4 543 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A15954 [0,1,1,0,0,0|2,0,0]=4 544 B11R1.22 c1cc(ccc1C(=O)CCl)F B22188 [0,1,1,0,0,0|2,0,0]=4 545 B11R1.22 c1cc(ccc1C(=O)CN)Br L04292 [0,1,1,0,0,0|2,0,0]=4 546 B11R1.22 c1cc(ccc1C(=O)NN)Br A18918 [0,1,1,0,0,0|2,0,0]=4 547 B11R1.22 c1cc(ccc1C(=O)NN)Cl A11911 [0,1,1,0,0,0|2,0,0]=4 548 B11R1.22 c1cc(ccc1C(=O)NN)F H53496 [0,1,1,0,0,0|2,0,0]=4 549 B11R1.22 c1cc(ccc1C(=O)NN)N A10963 [0,1,1,0,0,0|2,0,0]=4 550 B11R1.22 c1cc(ccc1C(=O)NN)O A12702 [0,1,1,0,0,0|2,0,0]=4 551 B11R1.23 CCC(=O)c1cccc(c1)Br A16757 [0,1,1,0,0,0|1,0,0]=3 552 B11R1.23 CCC(=O)c1cccc(c1)Cl A12542 [0,1,1,0,0,0|1,0,0]=3 553 B11R1.23 CCC(=O)c1cccc(c1)F L11922 [0,1,1,0,0,0|1,0,0]=3 554 B11R1.23 CNC(=O)c1cc(ccn1)Cl H50535 [0,1,1,0,0,0|2,0,0]=4 555 B11R1.23 CNC(=O)c1cccc(c1)Cl H56565 [0,1,1,0,0,0|1,0,0]=3 556 B11R1.23 CNC(=O)c1ccnc(c1)Cl H57458 [0,1,1,0,0,0|2,0,0]=4 557 B11R1.23 COC(=O)c1cc(ccn1)Br H64327 [0,1,1,0,0,0|1,0,0]=3 558 B11R1.23 COC(=O)c1cc(ccn1)Cl H60532 [0,1,1,0,0,0|1,0,0]=3 559 B11R1.23 COC(=O)c1cc(cnc1)Br B20908 [0,1,1,0,0,0|1,0,0]=3 560 B11R1.23 COC(=O)c1cccc(c1)Br A16174 [0,1,1,0,0,0|0,0,0]=2 561 B11R1.23 COC(=O)c1cccc(c1)Cl B21371 [0,1,1,0,0,0|0,0,0]=2 562 B11R1.23 COC(=O)c1cccc(c1)N A14766 [0,1,1,0,0,0|0,0,0]=2 563 B11R1.23 COC(=O)c1cccc(c1)O A14425 [0,1,1,0,0,0|0,0,0]=2 564 B11R1.23 COC(=O)c1cccc(n1)Cl H64023 [0,1,1,0,0,0|1,0,0]=3 565 B11R1.23 COC(=O)c1ccnc(c1)N L19869 [0,1,1,0,0,0|1,0,0]=3 566 B11R1.23 COC(=O)c1cncc(n1)Cl H66682 [0,1,1,0,0,0|2,0,0]=4 567 B11R1.23 Cc1cc(cnc1)C(=O)OC L16371 [0,1,1,0,0,0|1,0,0]=3 568 B11R1.23 Cc1cccc(c1)C(=O)NC H56299 [0,1,1,0,0,0|1,0,0]=3 569 B11R1.23 Cc1cccc(c1)C(=O)NN L01043 [0,1,1,0,0,0|2,0,0]=4 570 B11R1.23 Cc1cccc(c1)C(=O)OC A10893 [0,1,1,0,0,0|0,0,0]=2 571 B11R1.23 Cc1cccc(n1)C(=O)OC H33571 [0,1,1,0,0,0|1,0,0]=3 572 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr A15210 [0,1,1,0,0,0|2,0,0]=4 573 B11R1.23 c1cc(cc(c1)Br)C(=O)NN A19628 [0,1,1,0,0,0|2,0,0]=4 574 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr H66077 [0,1,1,0,0,0|2,0,0]=4 575 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN L01071 [0,1,1,0,0,0|2,0,0]=4 576 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO L00286 [0,1,1,0,0,0|1,0,0]=3 577 B11R1.23 c1cc(cc(c1)F)C(=O)C=O L20278 [0,1,1,0,0,0|2,0,0]=4 578 B11R1.23 c1cc(cc(c1)N)C(=O)NN A11491 [0,1,1,0,0,0|2,0,0]=4 579 B11R1.23 c1cc(cc(c1)O)C(=O)NN L04357 [0,1,1,0,0,0|2,0,0]=4 580 B11R1.36 CC(C(=O)c1ccccc1)Br A10661 [0,1,1,0,0,0|1,0,0]=3 581 B11R1.36 CC(C)C(=O)c1ccccc1 B24628 [0,1,1,0,0,0|1,0,0]=3 582 B11R1.36 CN(C)C(=O)c1ccccc1 A18766 [0,1,1,0,0,0|1,0,0]=3 583 B11R1.36 c1ccc(cc1)C(=O)C(=O)O L00648 [0,1,1,0,0,0|2,0,0]=4 584 B11R1.36 c1ccc(cc1)C(=O)C(Cl)Cl B23475 [0,1,1,0,0,0|2,0,0]=4 585 B11R1.36 c1ccc(cc1)C(=O)C(F)F H25750 [0,1,1,0,0,0|2,0,0]=4 586 B11R1.222 CCC(=O)c1ccccc1F L12423 [0,1,1,0,0,0|1,0,0]=3 587 B11R1.222 CCC(=O)c1ccccc1O B25442 [0,1,1,0,0,0|1,0,0]=3 588 B11R1.222 CNC(=O)c1ccccc1Br H50583 [0,1,1,0,0,0|1,0,0]=3 589 B11R1.222 CNC(=O)c1ccccc1Cl H56910 [0,1,1,0,0,0|1,0,0]=3 590 B11R1.222 CNC(=O)c1ccccc1F H56104 [0,1,1,0,0,0|1,0,0]=3 591 B11R1.222 CNC(=O)c1cccnc1Cl H57963 [0,1,1,0,0,0|2,0,0]=4 592 B11R1.222 COC(=O)c1c(nccn1)Br H63515 [0,1,1,0,0,0|2,0,0]=4 593 B11R1.222 COC(=O)c1c(nccn1)Cl H64508 [0,1,1,0,0,0|2,0,0]=4 594 B11R1.222 COC(=O)c1c(nccn1)N H29172 [0,1,1,0,0,0|2,0,0]=4 595 B11R1.222 COC(=O)c1ccccc1Br A12435 [0,1,1,0,0,0|0,0,0]=2 596 B11R1.222 COC(=O)c1ccccc1Cl A11237 [0,1,1,0,0,0|0,0,0]=2 597 B11R1.222 COC(=O)c1ccccc1F A16133 [0,1,1,0,0,0|0,0,0]=2 598 B11R1.222 COC(=O)c1ccccc1I A13204 [0,1,1,0,0,0|0,0,0]=2 599 B11R1.222 COC(=O)c1ccccc1N A15681 [0,1,1,0,0,0|0,0,0]=2 600 B11R1.222 COC(=O)c1ccccc1O A10578 [0,1,1,0,0,0|0,0,0]=2 601 B11R1.222 COC(=O)c1ccccc1S H28400 [0,1,1,0,0,0|0,0,0]=2 602 B11R1.222 COC(=O)c1cccnc1Cl H64798 [0,1,1,0,0,0|1,0,0]=3 603 B11R1.222 COC(=O)c1cccnc1N H50013 [0,1,1,0,0,0|1,0,0]=3 604 B11R1.222 COC(=O)c1cccnc1O H33334 [0,1,1,0,0,0|1,0,0]=3 605 B11R1.222 COC(=O)c1cccoc1=O H25932 [0,1,1,0,0,0|1,0,0]=3 606 B11R1.222 COC(=O)c1ccncc1N H34007 [0,1,1,0,0,0|1,0,0]=3 607 B11R1.222 COC(=O)c1cnccc1N B25324 [0,1,1,0,0,0|1,0,0]=3 608 B11R1.222 Cc1c(cccn1)C(=O)OC L09074 [0,1,1,0,0,0|1,0,0]=3 609 B11R1.222 Cc1ccccc1C(=O)CBr H64651 [0,1,1,0,0,0|2,0,0]=4 610 B11R1.222 Cc1ccccc1C(=O)NN L00668 [0,1,1,0,0,0|2,0,0]=4 611 B11R1.222 Cc1ccccc1C(=O)OC A15695 [0,1,1,0,0,0|0,0,0]=2 612 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl H27303 [0,1,1,0,0,0|2,0,0]=4 613 B11R1.222 c1ccc(c(c1)C(=O)CBr)F H34179 [0,1,1,0,0,0|2,0,0]=4 614 B11R1.222 c1ccc(c(c1)C(=O)CBr)O B25722 [0,1,1,0,0,0|2,0,0]=4 615 B11R1.222 c1ccc(c(c1)C(=O)NN)Br L00937 [0,1,1,0,0,0|2,0,0]=4 616 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl A11361 [0,1,1,0,0,0|2,0,0]=4 617 B11R1.222 c1ccc(c(c1)C(=O)NN)F B24921 [0,1,1,0,0,0|2,0,0]=4 618 B11R1.222 c1ccc(c(c1)C(=O)NN)N A10805 [0,1,1,0,0,0|2,0,0]=4 619 B11R1.222 c1ccc(c(c1)C(=O)NN)O A14218 [0,1,1,0,0,0|2,0,0]=4 620 B11R1.222 c1ccc(c(c1)C(=O)NO)O A11528 [0,1,1,0,0,0|2,0,0]=4 621 B11R1.28 C#CCOCc1ccccc1 H53481 [0,1,1,0,0,0|1,0,1]=4 622 B11R1.28 c1ccc(cc1)COCCBr H56872 [0,1,1,0,0,0|1,0,1]=4 623 B11R1.28 c1ccc(cc1)COCCI H35095 [0,1,1,0,0,0|1,0,1]=4 624 B11R1.40 C\C(=C/c1ccccc1)\C=O A10429 [0,1,1,0,0,0|1,0,1]=4 625 B11R1.40 c1ccc(cc1)\C=C(\C=O)/Br A14230 [0,1,1,0,0,0|1,0,1]=4 626 B11R1.91 CC(=N)SCc1ccccc1 H51844 [0,1,1,0,0,0|1,1,0]=4 627 B11R1.91 CC(=O)C#Cc1ccccc1 H27826 [0,1,1,0,0,0|1,0,1]=4 628 B11R1.91 CC(=O)CCc1ccccc1 B22777 [0,1,1,0,0,0|1,0,0]=3 629 B11R1.91 CC(=O)NCc1cccnc1 B21862 [0,1,1,0,0,0|2,0,0]=4 630 B11R1.91 CC(=O)NNc1ccccc1 A14446 [0,1,1,0,0,0|2,0,0]=4 631 B11R1.91 CC(=O)OCc1ccccc1 B23472 [0,1,1,0,0,0|0,0,0]=2 632 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [0,1,1,0,0,0|1,0,1]=4 633 B11R1.91 c1cc(cnc1)CCC(=O)O H58619 [0,1,1,0,0,0|2,0,0]=4 634 B11R1.91 c1cc(cnc1)CCC(=O)O L14007 [0,1,1,0,0,0|2,0,0]=4 635 B11R1.91 c1ccc(cc1)C#CC(=O)O A15163 [0,1,1,0,0,0|1,0,1]=4 636 B11R1.91 c1ccc(cc1)CCC(=O)Cl A10860 [0,1,1,0,0,0|1,0,0]=3 637 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [0,1,1,0,0,0|1,0,0]=3 638 B11R1.91 c1ccc(cc1)CNC(=O)N B24945 [0,1,1,0,0,0|1,0,0]=3 639 B11R1.91 c1ccc(cc1)CNC(=S)N L09400 [0,1,1,0,0,0|1,1,0]=4 640 B11R1.91 c1ccc(cc1)COC(=O)Cl A15682 [0,1,1,0,0,0|0,0,0]=2 641 B11R1.91 c1ccc(cc1)COC(=O)N A11569 [0,1,1,0,0,0|0,0,0]=2 642 B11R1.91 c1ccc(cc1)CSC(=[NH2+])N A15914 [0,1,1,0,0,0|1,1,0]=4 643 B11R1.91 c1ccc(cc1)NCC(=O)O A14182 [0,1,1,0,0,0|2,0,0]=4 644 B11R1.91 c1ccc(cc1)NNC(=O)N B22331 [0,1,1,0,0,0|2,0,0]=4 645 B11R1.91 c1ccc(cc1)OCC(=O)Cl A13761 [0,1,1,0,0,0|2,0,0]=4 646 B11R1.91 c1ccc(cc1)OCC(=O)N A14934 [0,1,1,0,0,0|2,0,0]=4 647 B11R1.91 c1ccc(cc1)OCC(=O)O A12541 [0,1,1,0,0,0|2,0,0]=4 648 B11R1.91 c1ccc(cc1)SCC(=O)O B22280 [0,1,1,0,0,0|2,0,0]=4 649 B11R1.91 c1ccc(cc1)\C=C\C(=O)Cl A12016 [0,1,1,0,0,0|1,0,1]=4 650 B11R1.91 c1ccc(cc1)\C=C\C(=O)N A13429 [0,1,1,0,0,0|1,0,1]=4 651 B11R1.91 c1ccc(cc1)\C=C\C(=O)O A13538 [0,1,1,0,0,0|1,0,1]=4 652 B11R1.91 c1cnccc1CCC(=O)O H58655 [0,1,1,0,0,0|2,0,0]=4 653 B11R1.37 COc1cc(ccc1C=O)Br H55545 [0,1,1,0,0,0|2,0,0]=4 654 B11R1.37 COc1cc(ccc1C=O)F H26091 [0,1,1,0,0,0|2,0,0]=4 655 B11R1.37 COc1cc(ccc1C=O)O A11127 [0,1,1,0,0,0|2,0,0]=4 656 B11R1.37 COc1cc(ccc1CO)Br H27339 [0,1,1,0,0,0|2,0,0]=4 657 B11R1.37 COc1cc(ccc1CO)Cl H27562 [0,1,1,0,0,0|2,0,0]=4 658 B11R1.37 COc1ccc(cc1C=O)Br A19396 [0,1,1,0,0,0|2,0,0]=4 659 B11R1.37 COc1ccc(cc1C=O)Cl H31860 [0,1,1,0,0,0|2,0,0]=4 660 B11R1.37 COc1ccc(cc1C=O)F B24684 [0,1,1,0,0,0|2,0,0]=4 661 B11R1.37 COc1ccc(cc1C=O)I H66320 [0,1,1,0,0,0|2,0,0]=4 662 B11R1.37 COc1ccc(cc1CO)F H32256 [0,1,1,0,0,0|2,0,0]=4 663 B11R1.41 CCOc1c(cccn1)C=O H50088 [0,1,1,0,0,0|2,0,0]=4 664 B11R1.41 CCOc1ccccc1C=O A15035 [0,1,1,0,0,0|1,0,0]=3 665 B11R1.41 CCOc1ccccc1CO A15477 [0,1,1,0,0,0|1,0,1]=4 666 B11R1.41 CCc1ccccc1N=C=O L15252 [0,1,1,0,0,0|1,0,1]=4 667 B11R1.41 c1ccc(c(c1)CCl)N=C=O L15995 [0,1,1,0,0,0|1,0,1]=4 668 B11R1.53 B(c1ccccc1C=C)(O)O L19828 [0,1,1,0,0,0|2,0,0]=4 669 B11R1.53 B(c1ccccc1C=O)(O)O B25434 [0,1,1,0,0,0|1,0,0]=3 670 B11R1.53 B(c1ccccc1CO)(O)O H52442 [0,1,1,0,0,0|1,0,1]=4 671 B11R1.53 C=Cc1ccccc1C(=O)O H31723 [0,1,1,0,0,0|1,0,1]=4 672 B11R1.53 CC(=O)c1ccccc1OC A11929 [0,1,1,0,0,0|2,0,0]=4 673 B11R1.53 CNc1ccccc1C(=O)O B20531 [0,1,1,0,0,0|2,0,0]=4 674 B11R1.53 COc1ccccc1C(=O)Cl B22784 [0,1,1,0,0,0|2,0,0]=4 675 B11R1.53 COc1ccccc1C(=O)N A12520 [0,1,1,0,0,0|2,0,0]=4 676 B11R1.53 COc1ccccc1C(=O)O A13513 [0,1,1,0,0,0|2,0,0]=4 677 B11R1.53 CSc1ccccc1C(=O)O A10379 [0,1,1,0,0,0|2,0,0]=4 678 B11R1.53 c1ccc(c(c1)C#N)C(=O)N B21596 [0,1,1,0,0,0|1,0,1]=4 679 B11R1.53 c1ccc(c(c1)C#N)C(=O)O H50237 [0,1,1,0,0,0|1,0,1]=4 680 B11R1.53 c1ccc(c(c1)C(=O)O)I=O L15606 [0,1,1,0,0,0|1,0,1]=4 681 B11R1.53 c1ccc(c(c1)C(=O)O)NN L11015 [0,1,1,0,0,0|2,0,0]=4 682 B11R1.53 c1ccc(c(c1)C=O)C(=O)O A11201 [0,1,1,0,0,0|0,0,1]=3 683 B11R1.53 c1ccc(c(c1)C=O)[N+](=O)[O-] A11501 [0,1,1,0,0,0|1,0,1]=4 684 B11R1.53 c1ccc(c(c1)CBr)C(=O)O H28927 [0,1,1,0,0,0|1,0,0]=3 685 B11R1.53 c1ccc(c(c1)CBr)[N+](=O)[O-] A13127 [0,1,1,0,0,0|2,0,0]=4 686 B11R1.53 c1ccc(c(c1)CCl)[N+](=O)[O-] L13599 [0,1,1,0,0,0|2,0,0]=4 687 B11R1.53 c1ccc(c(c1)CN)[N+](=O)[O-] A18900 [0,1,1,0,0,0|2,0,0]=4 688 B11R1.53 c1ccc(c(c1)CO)[N+](=O)[O-] A15496 [0,1,1,0,0,0|1,0,0]=3 689 B11R1.265 COc1c(cccc1F)C=O H32971 [0,1,1,0,0,0|2,0,0]=4 690 B11R1.265 COc1c(cccc1F)CO H32416 [0,1,1,0,0,0|2,0,0]=4 691 B11R1.265 COc1cccc(c1C=O)F H26086 [0,1,1,0,0,0|2,0,0]=4 692 B11R1.265 COc1cccc(c1C=O)O L13145 [0,1,1,0,0,0|2,0,0]=4 693 B11R1.265 COc1cccc(c1CO)F H32878 [0,1,1,0,0,0|2,0,0]=4 694 B11R1.87 Cc1ccccc1S(=O)(=O)Cl L18983 [0,1,1,0,0,0|1,0,1]=4 695 B11R1.87 Cc1ccccc1S(=O)(=O)N B20544 [0,1,1,0,0,0|1,0,1]=4 696 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)O H31763 [0,1,1,0,0,0|2,0,0]=4 697 B11R1.156 B(c1c(cccc1C)C)(O)O B24613 [0,1,1,0,0,0|1,0,1]=4 698 B11R1.156 CC(=O)c1c(cccc1Br)F H62361 [0,1,1,0,0,0|2,0,0]=4 699 B11R1.156 CC(=O)c1c(cccc1Cl)Cl L06348 [0,1,1,0,0,0|2,0,0]=4 700 B11R1.156 CC(=O)c1c(cccc1Cl)F B24067 [0,1,1,0,0,0|2,0,0]=4 701 B11R1.156 CC(=O)c1c(cccc1F)F A10220 [0,1,1,0,0,0|2,0,0]=4 702 B11R1.156 CC(=O)c1c(cccc1F)O H26130 [0,1,1,0,0,0|2,0,0]=4 703 B11R1.156 CC(=O)c1c(cccc1O)O A14627 [0,1,1,0,0,0|2,0,0]=4 704 B11R1.156 Cc1cccc(c1C(=O)N)Cl L18853 [0,1,1,0,0,0|1,0,0]=3 705 B11R1.156 Cc1cccc(c1C(=O)O)Br L20149 [0,1,1,0,0,0|0,0,0]=2 706 B11R1.156 Cc1cccc(c1C(=O)O)C A15014 [0,1,1,0,0,0|0,0,0]=2 707 B11R1.156 Cc1cccc(c1C(=O)O)Cl L18348 [0,1,1,0,0,0|0,0,0]=2 708 B11R1.156 Cc1cccc(c1C(=O)O)N A15187 [0,1,1,0,0,0|0,0,0]=2 709 B11R1.156 Cc1cccc(c1[N+](=O)[O-])C L05546 [0,1,1,0,0,0|1,0,1]=4 710 B11R1.156 Cc1cccc(c1[N+](=O)[O-])F H63574 [0,1,1,0,0,0|1,0,1]=4 711 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl H32269 [0,1,1,0,0,0|1,0,0]=3 712 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F H61251 [0,1,1,0,0,0|1,0,0]=3 713 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N H32106 [0,1,1,0,0,0|1,0,0]=3 714 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)Cl A14839 [0,1,1,0,0,0|2,0,0]=4 715 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)F B23762 [0,1,1,0,0,0|2,0,0]=4 716 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)Cl A10865 [0,1,1,0,0,0|2,0,0]=4 717 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)F B21294 [0,1,1,0,0,0|2,0,0]=4 718 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl A10542 [0,1,1,0,0,0|1,0,0]=3 719 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)F A11250 [0,1,1,0,0,0|1,0,0]=3 720 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N A10890 [0,1,1,0,0,0|1,0,0]=3 721 B11R1.156 c1cc(c(c(c1)F)C(=O)Cl)F A11286 [0,1,1,0,0,0|2,0,0]=4 722 B11R1.156 c1cc(c(c(c1)F)C(=O)N)F A11685 [0,1,1,0,0,0|2,0,0]=4 723 B11R1.156 c1cc(c(c(c1)F)C(=O)O)F A14558 [0,1,1,0,0,0|1,0,0]=3 724 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N A10919 [0,1,1,0,0,0|1,0,0]=3 725 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O L10907 [0,1,1,0,0,0|1,0,0]=3 726 B11R1.156 c1cc(c(c(c1)I)C(=O)O)F L07924 [0,1,1,0,0,0|1,0,0]=3 727 B11R1.156 c1cc(c(c(c1)O)C(=O)N)O L08424 [0,1,1,0,0,0|2,0,0]=4 728 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O A14485 [0,1,1,0,0,0|1,0,0]=3 729 B11R1.156 c1cnc(c(c1Cl)C(=O)O)Cl H58239 [0,1,1,0,0,0|2,0,0]=4 730 B11R1.156 c1cnc(c(c1I)C(=O)O)Cl H50049 [0,1,1,0,0,0|2,0,0]=4 731 B11R1.159 B(c1cccc(c1C)C)(O)O B23942 [0,1,1,0,0,0|1,0,1]=4 732 B11R1.159 B(c1cccc(c1C)Cl)(O)O H30893 [0,1,1,0,0,0|1,0,1]=4 733 B11R1.159 B(c1cccc(c1C)F)(O)O H52752 [0,1,1,0,0,0|1,0,1]=4 734 B11R1.159 CC(=O)c1cccc(c1Cl)Cl A12667 [0,1,1,0,0,0|2,0,0]=4 735 B11R1.159 CC(=O)c1cccc(c1F)Br H62708 [0,1,1,0,0,0|2,0,0]=4 736 B11R1.159 CC(=O)c1cccc(c1F)Cl H26474 [0,1,1,0,0,0|2,0,0]=4 737 B11R1.159 CC(=O)c1cccc(c1F)F A16786 [0,1,1,0,0,0|2,0,0]=4 738 B11R1.159 CC(=O)c1cccc(c1O)F H32854 [0,1,1,0,0,0|2,0,0]=4 739 B11R1.159 Cc1c(cccc1Br)C(=O)O H55436 [0,1,1,0,0,0|0,0,0]=2 740 B11R1.159 Cc1c(cccc1Br)[N+](=O)[O-] B21658 [0,1,1,0,0,0|1,0,1]=4 741 B11R1.159 Cc1c(cccc1Cl)C(=O)O L15773 [0,1,1,0,0,0|0,0,0]=2 742 B11R1.159 Cc1c(cccc1Cl)[N+](=O)[O-] B23675 [0,1,1,0,0,0|1,0,1]=4 743 B11R1.159 Cc1c(cccc1F)C(=O)C H32221 [0,1,1,0,0,0|1,0,0]=3 744 B11R1.159 Cc1c(cccc1F)C(=O)O H31887 [0,1,1,0,0,0|0,0,0]=2 745 B11R1.159 Cc1c(cccc1F)[N+](=O)[O-] L20093 [0,1,1,0,0,0|1,0,1]=4 746 B11R1.159 Cc1c(cccc1N)C(=O)O B24947 [0,1,1,0,0,0|0,0,0]=2 747 B11R1.159 Cc1c(cccc1O)C(=O)O L13743 [0,1,1,0,0,0|0,0,0]=2 748 B11R1.159 Cc1c(cccc1O)[N+](=O)[O-] A13002 [0,1,1,0,0,0|1,0,1]=4 749 B11R1.159 Cc1c(cccc1[N+](=O)[O-])N A10347 [0,1,1,0,0,0|1,0,1]=4 750 B11R1.159 Cc1cccc(c1Br)C(=O)O H32490 [0,1,1,0,0,0|1,0,0]=3 751 B11R1.159 Cc1cccc(c1C)C(=O)Cl H25873 [0,1,1,0,0,0|1,0,0]=3 752 B11R1.159 Cc1cccc(c1C)C(=O)N A13585 [0,1,1,0,0,0|1,0,0]=3 753 B11R1.159 Cc1cccc(c1C)C(=O)O A10383 [0,1,1,0,0,0|0,0,0]=2 754 B11R1.159 Cc1cccc(c1C)[N+](=O)[O-] B24917 [0,1,1,0,0,0|1,0,1]=4 755 B11R1.159 Cc1cccc(c1F)C(=O)O A12280 [0,1,1,0,0,0|1,0,0]=3 756 B11R1.159 Cc1cccc(c1I)C(=O)O L19876 [0,1,1,0,0,0|1,0,0]=3 757 B11R1.159 Cc1cccc(c1N)C(=O)O B24230 [0,1,1,0,0,0|1,0,0]=3 758 B11R1.159 Cc1cccc(c1O)C(=O)O L15825 [0,1,1,0,0,0|1,0,0]=3 759 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)N H62619 [0,1,1,0,0,0|2,0,0]=4 760 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O H50235 [0,1,1,0,0,0|1,0,0]=3 761 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O H61925 [0,1,1,0,0,0|1,0,0]=3 762 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)Cl L09506 [0,1,1,0,0,0|2,0,0]=4 763 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)N A17265 [0,1,1,0,0,0|2,0,0]=4 764 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O A10522 [0,1,1,0,0,0|1,0,0]=3 765 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)Cl B23849 [0,1,1,0,0,0|2,0,0]=4 766 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)N B24162 [0,1,1,0,0,0|2,0,0]=4 767 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O B20603 [0,1,1,0,0,0|1,0,0]=3 768 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O H66261 [0,1,1,0,0,0|1,0,0]=3 769 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O H26242 [0,1,1,0,0,0|1,0,0]=3 770 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O H31761 [0,1,1,0,0,0|1,0,0]=3 771 B11R1.159 c1cc(c(c(c1)F)F)C(=O)Cl B20333 [0,1,1,0,0,0|2,0,0]=4 772 B11R1.159 c1cc(c(c(c1)F)F)C(=O)N B20542 [0,1,1,0,0,0|2,0,0]=4 773 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O A16717 [0,1,1,0,0,0|1,0,0]=3 774 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O H26163 [0,1,1,0,0,0|1,0,0]=3 775 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O B22478 [0,1,1,0,0,0|1,0,0]=3 776 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O A10144 [0,1,1,0,0,0|1,0,0]=3 777 B11R1.159 c1cnc(c(c1C(=O)O)Br)Br H31708 [0,1,1,0,0,0|2,0,0]=4 778 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl H63733 [0,1,1,0,0,0|2,0,0]=4 779 B11R1.159 c1cnc(c(c1C(=O)O)F)Br H64290 [0,1,1,0,0,0|2,0,0]=4 780 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl L20024 [0,1,1,0,0,0|2,0,0]=4 781 B11R1.159 c1cnc(c(c1C(=O)O)F)F H33463 [0,1,1,0,0,0|2,0,0]=4 782 B11R1.166 B(c1ccc(cc1C)C)(O)O B23076 [0,1,1,0,0,0|1,0,1]=4 783 B11R1.166 B(c1ccc(cc1C)Cl)(O)O B23688 [0,1,1,0,0,0|1,0,1]=4 784 B11R1.166 B(c1ccc(cc1C)F)(O)O B24117 [0,1,1,0,0,0|1,0,1]=4 785 B11R1.166 B(c1ccc(cc1C)O)(O)O H53068 [0,1,1,0,0,0|1,0,1]=4 786 B11R1.166 CC(=O)c1ccc(cc1Br)Br H61181 [0,1,1,0,0,0|2,0,0]=4 787 B11R1.166 CC(=O)c1ccc(cc1Br)F L19320 [0,1,1,0,0,0|2,0,0]=4 788 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl A14428 [0,1,1,0,0,0|2,0,0]=4 789 B11R1.166 CC(=O)c1ccc(cc1Cl)F L19880 [0,1,1,0,0,0|2,0,0]=4 790 B11R1.166 CC(=O)c1ccc(cc1F)Br H62127 [0,1,1,0,0,0|2,0,0]=4 791 B11R1.166 CC(=O)c1ccc(cc1F)F A13420 [0,1,1,0,0,0|2,0,0]=4 792 B11R1.166 CC(=O)c1ccc(cc1F)O A19884 [0,1,1,0,0,0|2,0,0]=4 793 B11R1.166 CC(=O)c1ccc(cc1O)Br H61137 [0,1,1,0,0,0|2,0,0]=4 794 B11R1.166 CC(=O)c1ccc(cc1O)Cl H27309 [0,1,1,0,0,0|2,0,0]=4 795 B11R1.166 CC(=O)c1ccc(cc1O)F A16030 [0,1,1,0,0,0|2,0,0]=4 796 B11R1.166 CC(=O)c1ccc(cc1O)O A12066 [0,1,1,0,0,0|2,0,0]=4 797 B11R1.166 Cc1cc(c(cn1)C(=O)O)O H66499 [0,1,1,0,0,0|2,0,0]=4 798 B11R1.166 Cc1cc(ccc1C(=O)C)F H26823 [0,1,1,0,0,0|1,0,0]=3 799 B11R1.166 Cc1cc(ccc1C(=O)O)Br L03071 [0,1,1,0,0,0|0,0,0]=2 800 B11R1.166 Cc1cc(ccc1C(=O)O)Cl H27262 [0,1,1,0,0,0|0,0,0]=2 801 B11R1.166 Cc1cc(ccc1C(=O)O)F H26801 [0,1,1,0,0,0|0,0,0]=2 802 B11R1.166 Cc1cc(ccc1C(=O)O)N H31657 [0,1,1,0,0,0|0,0,0]=2 803 B11R1.166 Cc1cc(ccc1C(=O)O)O H60810 [0,1,1,0,0,0|0,0,0]=2 804 B11R1.166 Cc1cc(ccc1C(=S)N)Br H55421 [0,1,1,0,0,0|1,1,0]=4 805 B11R1.166 Cc1cc(ccc1C(=S)N)F H33221 [0,1,1,0,0,0|1,1,0]=4 806 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Cl H53471 [0,1,1,0,0,0|1,0,1]=4 807 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F A13944 [0,1,1,0,0,0|1,0,1]=4 808 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])N L13112 [0,1,1,0,0,0|1,0,1]=4 809 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O L03163 [0,1,1,0,0,0|1,0,1]=4 810 B11R1.166 Cc1cc(cnc1C(=O)O)Br H64220 [0,1,1,0,0,0|1,0,0]=3 811 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O H60413 [0,1,1,0,0,0|1,0,0]=3 812 B11R1.166 Cc1ccc(c(c1)C)C(=O)C A12992 [0,1,1,0,0,0|1,0,0]=3 813 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl H50387 [0,1,1,0,0,0|1,0,0]=3 814 B11R1.166 Cc1ccc(c(c1)C)C(=O)O A10589 [0,1,1,0,0,0|0,0,0]=2 815 B11R1.166 Cc1ccc(c(c1)C)C(C)O H32141 [0,1,1,0,0,0|1,0,1]=4 816 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] A16776 [0,1,1,0,0,0|1,0,1]=4 817 B11R1.166 Cc1ccc(c(c1)F)C(=O)C H26695 [0,1,1,0,0,0|2,0,0]=4 818 B11R1.166 Cc1ccc(c(c1)F)C(=O)Cl H31292 [0,1,1,0,0,0|2,0,0]=4 819 B11R1.166 Cc1ccc(c(c1)F)C(=O)O H26688 [0,1,1,0,0,0|1,0,0]=3 820 B11R1.166 Cc1ccc(c(c1)O)C(=O)O L03367 [0,1,1,0,0,0|1,0,0]=3 821 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O A13857 [0,1,1,0,0,0|2,0,0]=4 822 B11R1.166 Cc1ccc(c(n1)O)C(=O)O A11842 [0,1,1,0,0,0|2,0,0]=4 823 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl H61381 [0,1,1,0,0,0|2,0,0]=4 824 B11R1.166 c1c(cnc(c1F)C(=O)O)Br H64466 [0,1,1,0,0,0|2,0,0]=4 825 B11R1.166 c1c(cnc(c1F)C(=O)O)F L20324 [0,1,1,0,0,0|2,0,0]=4 826 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O H32008 [0,1,1,0,0,0|1,0,0]=3 827 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O A11527 [0,1,1,0,0,0|1,0,0]=3 828 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl L20142 [0,1,1,0,0,0|2,0,0]=4 829 B11R1.166 c1cc(c(cc1Br)F)C(=O)N H52336 [0,1,1,0,0,0|2,0,0]=4 830 B11R1.166 c1cc(c(cc1Br)F)C(=O)O B20118 [0,1,1,0,0,0|1,0,0]=3 831 B11R1.166 c1cc(c(cc1Br)N)C(=O)O H55829 [0,1,1,0,0,0|1,0,0]=3 832 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O H59777 [0,1,1,0,0,0|1,0,0]=3 833 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl B20815 [0,1,1,0,0,0|2,0,0]=4 834 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N A15915 [0,1,1,0,0,0|2,0,0]=4 835 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O A12372 [0,1,1,0,0,0|1,0,0]=3 836 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O B25277 [0,1,1,0,0,0|1,0,0]=3 837 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O A10201 [0,1,1,0,0,0|1,0,0]=3 838 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O B22520 [0,1,1,0,0,0|1,0,0]=3 839 B11R1.166 c1cc(c(cc1F)Br)C(=O)N H62497 [0,1,1,0,0,0|2,0,0]=4 840 B11R1.166 c1cc(c(cc1F)Br)C(=O)O L19321 [0,1,1,0,0,0|1,0,0]=3 841 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl B23439 [0,1,1,0,0,0|2,0,0]=4 842 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O A14953 [0,1,1,0,0,0|1,0,0]=3 843 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl A17920 [0,1,1,0,0,0|2,0,0]=4 844 B11R1.166 c1cc(c(cc1F)F)C(=O)N A10375 [0,1,1,0,0,0|2,0,0]=4 845 B11R1.166 c1cc(c(cc1F)F)C(=O)O A13403 [0,1,1,0,0,0|1,0,0]=3 846 B11R1.166 c1cc(c(cc1F)I)C(=O)O H55531 [0,1,1,0,0,0|1,0,0]=3 847 B11R1.166 c1cc(c(cc1F)N)C(=O)O B21907 [0,1,1,0,0,0|1,0,0]=3 848 B11R1.166 c1cc(c(cc1F)O)C(=O)O B24992 [0,1,1,0,0,0|1,0,0]=3 849 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O A10116 [0,1,1,0,0,0|1,0,0]=3 850 B11R1.166 c1cc(c(cc1N)F)C(=O)O H26146 [0,1,1,0,0,0|1,0,0]=3 851 B11R1.166 c1cc(c(cc1N)O)C(=O)O B23289 [0,1,1,0,0,0|1,0,0]=3 852 B11R1.166 c1cc(c(cc1O)O)C(=O)O A13545 [0,1,1,0,0,0|1,0,0]=3 853 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl L20002 [0,1,1,0,0,0|2,0,0]=4 854 B11R1.166 c1cc(nc(c1C(=O)O)F)Cl H66484 [0,1,1,0,0,0|2,0,0]=4 855 B11R1.167 B(c1cc(ccc1C)C)(O)O B23740 [0,1,1,0,0,0|1,0,1]=4 856 B11R1.167 B(c1cc(ccc1C)Cl)(O)O H52994 [0,1,1,0,0,0|1,0,1]=4 857 B11R1.167 B(c1cc(ccc1C)F)(O)O L19819 [0,1,1,0,0,0|1,0,1]=4 858 B11R1.167 CC(=O)c1cc(ccc1Br)F H61261 [0,1,1,0,0,0|2,0,0]=4 859 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl A13770 [0,1,1,0,0,0|2,0,0]=4 860 B11R1.167 CC(=O)c1cc(ccc1F)Br H61282 [0,1,1,0,0,0|2,0,0]=4 861 B11R1.167 CC(=O)c1cc(ccc1F)F A13911 [0,1,1,0,0,0|2,0,0]=4 862 B11R1.167 CC(=O)c1cc(ccc1I)F H66475 [0,1,1,0,0,0|2,0,0]=4 863 B11R1.167 CC(=O)c1cc(ccc1O)Br H61979 [0,1,1,0,0,0|2,0,0]=4 864 B11R1.167 CC(=O)c1cc(ccc1O)Cl A15448 [0,1,1,0,0,0|2,0,0]=4 865 B11R1.167 CC(=O)c1cc(ccc1O)F A15614 [0,1,1,0,0,0|2,0,0]=4 866 B11R1.167 CC(=O)c1cc(ccc1O)O A12185 [0,1,1,0,0,0|2,0,0]=4 867 B11R1.167 Cc1ccc(c(c1)C(=O)C)C A11432 [0,1,1,0,0,0|1,0,0]=3 868 B11R1.167 Cc1ccc(c(c1)C(=O)C)F H26575 [0,1,1,0,0,0|2,0,0]=4 869 B11R1.167 Cc1ccc(c(c1)C(=O)C)O A13136 [0,1,1,0,0,0|2,0,0]=4 870 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F H26093 [0,1,1,0,0,0|2,0,0]=4 871 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br H32927 [0,1,1,0,0,0|1,0,0]=3 872 B11R1.167 Cc1ccc(c(c1)C(=O)O)C A15352 [0,1,1,0,0,0|0,0,0]=2 873 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl B25347 [0,1,1,0,0,0|1,0,0]=3 874 B11R1.167 Cc1ccc(c(c1)C(=O)O)F H26094 [0,1,1,0,0,0|1,0,0]=3 875 B11R1.167 Cc1ccc(c(c1)C(=O)O)N L01513 [0,1,1,0,0,0|1,0,0]=3 876 B11R1.167 Cc1ccc(c(c1)C(=O)O)O B20040 [0,1,1,0,0,0|1,0,0]=3 877 B11R1.167 Cc1ccc(c(c1)C(C)O)C H32827 [0,1,1,0,0,0|1,0,1]=4 878 B11R1.167 Cc1ccc(cc1C(=O)C)F H26819 [0,1,1,0,0,0|1,0,0]=3 879 B11R1.167 Cc1ccc(cc1C(=O)Cl)F L13750 [0,1,1,0,0,0|1,0,0]=3 880 B11R1.167 Cc1ccc(cc1C(=O)O)Br H60516 [0,1,1,0,0,0|0,0,0]=2 881 B11R1.167 Cc1ccc(cc1C(=O)O)Cl H60649 [0,1,1,0,0,0|0,0,0]=2 882 B11R1.167 Cc1ccc(cc1C(=O)O)F A10476 [0,1,1,0,0,0|0,0,0]=2 883 B11R1.167 Cc1ccc(cc1C(=O)O)N H60078 [0,1,1,0,0,0|0,0,0]=2 884 B11R1.167 Cc1ccc(cc1C(=O)O)O H60774 [0,1,1,0,0,0|0,0,0]=2 885 B11R1.167 Cc1ccc(cc1C(=S)N)F H33362 [0,1,1,0,0,0|1,1,0]=4 886 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Br A12951 [0,1,1,0,0,0|1,0,1]=4 887 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Cl B23382 [0,1,1,0,0,0|1,0,1]=4 888 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])F B24677 [0,1,1,0,0,0|1,0,1]=4 889 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])I A18607 [0,1,1,0,0,0|1,0,1]=4 890 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])N A12538 [0,1,1,0,0,0|1,0,1]=4 891 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O 44285 [0,1,1,0,0,0|1,0,1]=4 892 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O H58277 [0,1,1,0,0,0|2,0,0]=4 893 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br H61154 [0,1,1,0,0,0|2,0,0]=4 894 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl H64998 [0,1,1,0,0,0|2,0,0]=4 895 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl B20706 [0,1,1,0,0,0|2,0,0]=4 896 B11R1.167 c1cc(c(cc1Br)C(=O)N)F H62457 [0,1,1,0,0,0|2,0,0]=4 897 B11R1.167 c1cc(c(cc1Br)C(=O)O)Br A15077 [0,1,1,0,0,0|1,0,0]=3 898 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl A12218 [0,1,1,0,0,0|1,0,0]=3 899 B11R1.167 c1cc(c(cc1Br)C(=O)O)F H60595 [0,1,1,0,0,0|1,0,0]=3 900 B11R1.167 c1cc(c(cc1Br)C(=O)O)I H64643 [0,1,1,0,0,0|1,0,0]=3 901 B11R1.167 c1cc(c(cc1Br)C(=O)O)N A11915 [0,1,1,0,0,0|1,0,0]=3 902 B11R1.167 c1cc(c(cc1Br)C(=O)O)O B20338 [0,1,1,0,0,0|1,0,0]=3 903 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)F B23273 [0,1,1,0,0,0|2,0,0]=4 904 B11R1.167 c1cc(c(cc1Cl)C(=O)N)Cl B25097 [0,1,1,0,0,0|2,0,0]=4 905 B11R1.167 c1cc(c(cc1Cl)C(=O)N)F B24623 [0,1,1,0,0,0|2,0,0]=4 906 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N A11153 [0,1,1,0,0,0|2,0,0]=4 907 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O L17897 [0,1,1,0,0,0|2,0,0]=4 908 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Br A10103 [0,1,1,0,0,0|1,0,0]=3 909 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl A16108 [0,1,1,0,0,0|1,0,0]=3 910 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F B23776 [0,1,1,0,0,0|1,0,0]=3 911 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N A14329 [0,1,1,0,0,0|1,0,0]=3 912 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O B23984 [0,1,1,0,0,0|1,0,0]=3 913 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Cl B24369 [0,1,1,0,0,0|2,0,0]=4 914 B11R1.167 c1cc(c(cc1F)C(=O)Cl)F A10651 [0,1,1,0,0,0|2,0,0]=4 915 B11R1.167 c1cc(c(cc1F)C(=O)N)Br H62366 [0,1,1,0,0,0|2,0,0]=4 916 B11R1.167 c1cc(c(cc1F)C(=O)N)Cl B23093 [0,1,1,0,0,0|2,0,0]=4 917 B11R1.167 c1cc(c(cc1F)C(=O)N)F B20971 [0,1,1,0,0,0|2,0,0]=4 918 B11R1.167 c1cc(c(cc1F)C(=O)N)N H66873 [0,1,1,0,0,0|2,0,0]=4 919 B11R1.167 c1cc(c(cc1F)C(=O)O)Br B25394 [0,1,1,0,0,0|1,0,0]=3 920 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl H26462 [0,1,1,0,0,0|1,0,0]=3 921 B11R1.167 c1cc(c(cc1F)C(=O)O)F A10503 [0,1,1,0,0,0|1,0,0]=3 922 B11R1.167 c1cc(c(cc1F)C(=O)O)I H60937 [0,1,1,0,0,0|1,0,0]=3 923 B11R1.167 c1cc(c(cc1F)C(=O)O)N B21458 [0,1,1,0,0,0|1,0,0]=3 924 B11R1.167 c1cc(c(cc1F)C(=O)O)O B21751 [0,1,1,0,0,0|1,0,0]=3 925 B11R1.167 c1cc(c(cc1I)C(=O)Cl)F H26177 [0,1,1,0,0,0|2,0,0]=4 926 B11R1.167 c1cc(c(cc1I)C(=O)O)Br L19247 [0,1,1,0,0,0|1,0,0]=3 927 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl L20161 [0,1,1,0,0,0|1,0,0]=3 928 B11R1.167 c1cc(c(cc1I)C(=O)O)F H26175 [0,1,1,0,0,0|1,0,0]=3 929 B11R1.167 c1cc(c(cc1I)C(=O)O)N A19838 [0,1,1,0,0,0|1,0,0]=3 930 B11R1.167 c1cc(c(cc1I)C(=O)O)O B21291 [0,1,1,0,0,0|1,0,0]=3 931 B11R1.167 c1cc(c(cc1N)C(=O)O)Br H60382 [0,1,1,0,0,0|1,0,0]=3 932 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl L14501 [0,1,1,0,0,0|1,0,0]=3 933 B11R1.167 c1cc(c(cc1N)C(=O)O)F H26162 [0,1,1,0,0,0|1,0,0]=3 934 B11R1.167 c1cc(c(cc1N)C(=O)O)O B23970 [0,1,1,0,0,0|1,0,0]=3 935 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl H26112 [0,1,1,0,0,0|1,0,0]=3 936 B11R1.167 c1cc(c(cc1O)C(=O)O)F H26150 [0,1,1,0,0,0|1,0,0]=3 937 B11R1.167 c1cc(c(cc1O)C(=O)O)N L08256 [0,1,1,0,0,0|1,0,0]=3 938 B11R1.167 c1cc(c(cc1O)C(=O)O)O A11459 [0,1,1,0,0,0|1,0,0]=3 939 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl H27146 [0,1,1,0,0,0|2,0,0]=4 940 B11R2.10 CC1=Cc2ccccc2C1 H26875 [1,1,0,0,0,0|1,0,0]=3 941 B11R2.10 Cc1cc2ccccc2[nH]1 A10764 [1,1,0,0,0,0|2,0,0]=4 942 B11R2.10 Cc1cc2ccccc2s1 H32224 [1,1,0,0,0,0|2,0,0]=4 943 B11R2.10 c1ccc2c(c1)CC(=C2)Br B25474 [1,1,0,0,0,0|1,0,0]=3 944 B11R2.10 c1ccc2c(c1)CC(=O)C2 A12574 [1,1,0,0,0,0|1,0,1]=4 945 B11R2.10 c1ccc2c(c1)CC(=O)N2 A18764 [1,1,0,0,0,0|2,0,0]=4 946 B11R2.10 c1ccc2c(c1)CC(=O)O2 A18617 [1,1,0,0,0,0|2,0,0]=4 947 B11R2.10 c1ccc2c(c1)CC(C2)N H31023 [1,1,0,0,0,0|1,0,1]=4 948 B11R2.10 c1ccc2c(c1)CC(C2)N L14083 [1,1,0,0,0,0|1,0,1]=4 949 B11R2.10 c1ccc2c(c1)CC(C2)O L01766 [1,1,0,0,0,0|1,0,1]=4 950 B11R2.36 Cc1ccc2c(c1)cc[nH]2 L06893 [1,1,0,0,0,0|2,0,0]=4 951 B11R2.36 Cc1ccc2c(c1)ccs2 A12666 [1,1,0,0,0,0|2,0,0]=4 952 B11R2.36 Cc1ccc2c(c1)cn[nH]2 H31828 [1,1,0,0,0,0|2,0,0]=4 953 B11R2.36 Cc1ccc2cc[nH]c2c1 L17509 [1,1,0,0,0,0|2,0,0]=4 954 B11R2.36 c1cc(cc2c1cc[nH]2)Br L17703 [1,1,0,0,0,0|2,0,0]=4 955 B11R2.36 c1cc(cc2c1cc[nH]2)Cl B23650 [1,1,0,0,0,0|2,0,0]=4 956 B11R2.36 c1cc(cc2c1cc[nH]2)F B24633 [1,1,0,0,0,0|2,0,0]=4 957 B11R2.36 c1cc(cc2c1cc[nH]2)N L17793 [1,1,0,0,0,0|2,0,0]=4 958 B11R2.36 c1cc(cc2c1cc[nH]2)O H55951 [1,1,0,0,0,0|2,0,0]=4 959 B11R2.36 c1cc2c(cc1Br)CCN2 L16992 [1,1,0,0,0,0|2,0,0]=4 960 B11R2.36 c1cc2c(cc1Br)cn[nH]2 H54673 [1,1,0,0,0,0|2,0,0]=4 961 B11R2.36 c1cc2c(cc1Br)non2 H51674 [1,1,0,0,0,0|2,0,0]=4 962 B11R2.36 c1cc2c(cc1F)CCN2 H54158 [1,1,0,0,0,0|2,0,0]=4 963 B11R2.36 c1cc2c(cc1F)cn[nH]2 H26033 [1,1,0,0,0,0|2,0,0]=4 964 B11R2.36 c1cc2c(cc1N)CCC2 L02504 [1,1,0,0,0,0|1,0,1]=4 965 B11R2.36 c1cc2c(cc1N)CCO2 H33344 [1,1,0,0,0,0|2,0,0]=4 966 B11R2.36 c1cc2c(cc1N)cn[nH]2 L06705 [1,1,0,0,0,0|2,0,0]=4 967 B11R2.36 c1cc2c(cc1O)CCC2 L01623 [1,1,0,0,0,0|1,0,1]=4 968 B11R2.36 c1cc2c(cc[nH]2)cc1Br B20307 [1,1,0,0,0,0|2,0,0]=4 969 B11R2.36 c1cc2c(cc[nH]2)cc1Cl A13592 [1,1,0,0,0,0|2,0,0]=4 970 B11R2.36 c1cc2c(cc[nH]2)cc1F A15346 [1,1,0,0,0,0|2,0,0]=4 971 B11R2.36 c1cc2c(cc[nH]2)cc1I B20638 [1,1,0,0,0,0|2,0,0]=4 972 B11R2.36 c1cc2c(cc[nH]2)cc1N B24391 [1,1,0,0,0,0|2,0,0]=4 973 B11R2.36 c1cc2c(cc[nH]2)cc1O L00858 [1,1,0,0,0,0|2,0,0]=4 974 B11R2.36 c1cc2c(ccs2)cc1Br L20133 [1,1,0,0,0,0|2,0,0]=4 975 B11R2.36 c1cc2c(ccs2)cc1Cl H61748 [1,1,0,0,0,0|2,0,0]=4 976 B11R2.36 c1cc2cn[nH]c2cc1Br H32623 [1,1,0,0,0,0|2,0,0]=4 977 B11R2.36 c1cc2cn[nH]c2cc1Cl H37529 [1,1,0,0,0,0|2,0,0]=4 978 B11R2.106 Cc1cccc2c1[nH]cc2 L17521 [1,1,0,0,0,0|2,0,0]=4 979 B11R2.106 Cc1cccc2c1cn[nH]2 H37039 [1,1,0,0,0,0|2,0,0]=4 980 B11R2.106 c1cc(c2cc[nH]c2c1)N L17792 [1,1,0,0,0,0|2,0,0]=4 981 B11R2.106 c1cc2c(cc[nH]2)c(c1)Br L19417 [1,1,0,0,0,0|2,0,0]=4 982 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl H66153 [1,1,0,0,0,0|2,0,0]=4 983 B11R2.106 c1cc2c(cc[nH]2)c(c1)F H56011 [1,1,0,0,0,0|2,0,0]=4 984 B11R2.106 c1cc2c(cc[nH]2)c(c1)O L14352 [1,1,0,0,0,0|2,0,0]=4 985 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br H64527 [1,1,0,0,0,0|2,0,0]=4 986 B11R2.106 c1cc2c(cn[nH]2)c(c1)Cl H37416 [1,1,0,0,0,0|2,0,0]=4 987 B11R2.106 c1cc2cc[nH]c2c(c1)Br 44422 [1,1,0,0,0,0|2,0,0]=4 988 B11R2.106 c1cc2cc[nH]c2c(c1)Cl L17637 [1,1,0,0,0,0|2,0,0]=4 989 B11R2.106 c1cc2cc[nH]c2c(c1)F L17621 [1,1,0,0,0,0|2,0,0]=4 990 B11R2.106 c1cc2cc[nH]c2c(c1)N L17794 [1,1,0,0,0,0|2,0,0]=4 991 B11R2.106 c1cc2ccoc2c(c1)Br H33129 [1,1,0,0,0,0|2,0,0]=4 992 B11R2.106 c1cc2cn[nH]c2c(c1)Br H32380 [1,1,0,0,0,0|2,0,0]=4 993 B11R2.106 c1cc2cn[nH]c2c(c1)N H34042 [1,1,0,0,0,0|2,0,0]=4 994 B13R2.32 CN1c2ccccc2OCC1=O H27196 [0,1,0,0,0,1|2,0,0]=4 995 B13R2.32 Cn1c2ccccc2ccc1=O L09410 [0,1,0,0,0,1|1,0,1]=4 996 B13R2.57 c1ccc2c(c1)cc(cn2)C=O L13815 [0,1,0,0,0,1|2,0,0]=4 997 B13R2.57 c1ccc2c(c1)ccc(n2)C=O L20202 [0,1,0,0,0,1|1,0,1]=4 998 B13R2.57 c1ccc2cc(ccc2c1)C=O B25157 [0,1,0,0,0,1|1,0,1]=4 999 B13R2.155 c1cc(cc2c1ccc(=O)o2)O L04082 [0,1,0,0,0,1|1,0,1]=4 1000 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 H27493 [0,1,0,0,0,1|2,0,0]=4 1001 B13R2.155 c1cc2c(cc1Br)NC(=O)CS2 H61077 [0,1,0,0,0,1|2,0,0]=4 1002 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 H27485 [0,1,0,0,0,1|1,0,0]=3 1003 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O A15538 [0,1,0,0,0,1|0,0,1]=3 1004 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 A14603 [0,1,0,0,0,1|0,0,1]=3 1005 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O A14394 [0,1,0,0,0,1|1,0,1]=4 1006 B13R2.369 CC1C(=O)Nc2ccccc2O1 H61075 [0,1,0,0,0,1|2,0,0]=4 1007 B13R2.369 CC1C(=O)Nc2ccccc2S1 H61012 [0,1,0,0,0,1|2,0,0]=4 1008 B13R2.369 Cc1c(=O)[nH]c2ccccc2n1 H51733 [0,1,0,0,0,1|2,0,0]=4 1009 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl H27494 [0,1,0,0,0,1|1,0,1]=4 1010 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N L14031 [0,1,0,0,0,1|1,0,1]=4 1011 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 A19382 [0,1,0,0,0,1|1,0,1]=4 1012 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br H54095 [0,1,0,0,0,1|1,0,1]=4 1013 B13R2.3683 c1cc(=O)oc2c1cc(cc2)N L11168 [0,1,0,0,0,1|1,0,1]=4 1014 B13R2.3683 c1cc2c(cc1Br)CCC(=O)N2 H37968 [0,1,0,0,0,1|1,0,0]=3 1015 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 H61082 [0,1,0,0,0,1|2,0,0]=4 1016 B13R2.3683 c1cc2c(cc1Br)SCC(=O)N2 H27563 [0,1,0,0,0,1|2,0,0]=4 1017 B13R2.3683 c1cc2c(cc1Cl)SCC(=O)N2 H27157 [0,1,0,0,0,1|2,0,0]=4 1018 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 H31534 [0,1,0,0,0,1|2,0,0]=4 1019 B13R2.342 c1cc2c(c(c1)O)CCCC2=O A17034 [0,1,0,0,0,1|1,0,0]=3 1020 B13R2.371 CC1CCC(=O)c2c1cccc2 B21967 [0,1,0,0,0,1|1,0,0]=3 1021 B13R2.371 c1ccc2c(c1)C(=O)C=CC2=O A10958 [0,1,0,0,0,1|1,0,1]=4 1022 B13R2.371 c1ccc2c(c1)c(=O)[nH][nH]c2=O A14615 [0,1,0,0,0,1|1,0,1]=4 1023 B13R2.371 c1ccc2c(c1)c(=O)[nH]nc2Cl H27515 [0,1,0,0,0,1|1,0,1]=4 1024 B13R2.1613 c1ccc2c(c1)c(ccn2)C=O L20203 [0,1,0,0,0,1|1,0,1]=4 1025 B13R2.1613 c1ccc2c(c1)cccc2C=O A15610 [0,1,0,0,0,1|1,0,1]=4 1026 B13R2.1613 c1ccc2c(c1)cncc2C=O H61788 [0,1,0,0,0,1|1,0,1]=4 1027 B13R2.9 Cc1cccc2c1[nH]cc2C=O L17519 [0,2,0,0,0,0|2,0,0]=4 1028 B13R2.72 CC(=O)c1c[nH]c2c1cccc2 A16221 [0,2,0,0,0,0|2,0,0]=4 1029 B13R2.72 CC(=O)c1csc2c1cccc2 A10330 [0,2,0,0,0,0|2,0,0]=4 1030 B13R2.72 c1ccc2c(c1)CC=C2C(=O)O H34344 [0,2,0,0,0,0|1,0,0]=3 1031 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O A12634 [0,2,0,0,0,0|2,0,0]=4 1032 B13R2.72 c1ccc2c(c1)c(cs2)C(=O)O H50105 [0,2,0,0,0,0|2,0,0]=4 1033 B13R2.72 c1ccc2c(c1)c(n[nH]2)C(=O)O H64001 [0,2,0,0,0,0|2,0,0]=4 1034 B13R2.135 c1ccc2c(c1)c(c([nH]2)Cl)C=O H34381 [0,2,0,0,0,0|2,0,0]=4 1035 B13R2.662 Cc1ccc2c(c1)[nH]cc2C=O L17508 [0,2,0,0,0,0|2,0,0]=4 1036 B13R2.662 c1cc2c(cc1Br)[nH]cc2C=O H66756 [0,2,0,0,0,0|2,0,0]=4 1037 B13R2.662 c1cc2c(cc1Cl)[nH]cc2C=O H61911 [0,2,0,0,0,0|2,0,0]=4 1038 B13R2.662 c1cc2c(cc1F)[nH]cc2C=O H61665 [0,2,0,0,0,0|2,0,0]=4 1039 B13R2.2091 c1cc2c(c(c1)Br)c(c[nH]2)C=O H66964 [0,2,0,0,0,0|2,0,0]=4 1040 B13R2.2136 c1cc2c(cc1Br)c(c[nH]2)C=O L19075 [0,2,0,0,0,0|2,0,0]=4 1041 B13R2.2136 c1cc2c(cc1Cl)c(c[nH]2)C=O B24865 [0,2,0,0,0,0|2,0,0]=4 1042 B13R2.2136 c1cc2c(cc1F)c(c[nH]2)C=O L17507 [0,2,0,0,0,0|2,0,0]=4 1043 B13R2.2931 Cn1cc(c2c1cccc2)C=O L02212 [0,2,0,0,0,0|2,0,0]=4 1044 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 L08009 [0,2,0,0,0,0|2,0,0]=4 1045 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 A13641 [0,2,0,0,0,0|2,0,0]=4 1046 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 A13125 [0,2,0,0,0,0|2,0,0]=4 1047 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 B20831 [0,2,0,0,0,0|2,0,0]=4 1048 B13R2.3028 c1cc2c(cc1I)C(=O)C(=O)N2 A14988 [0,2,0,0,0,0|2,0,0]=4 1049 B13R2.3085 CN1C(=O)c2ccccc2C1=O L08991 [0,2,0,0,0,0|1,0,1]=4 1050 B13R2.3085 CN1c2ccccc2C(=O)C1=O A12942 [0,2,0,0,0,0|2,0,0]=4 1051 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)Br A11601 [0,2,0,0,0,0|1,0,1]=4 1052 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)N A19914 [0,2,0,0,0,0|1,0,1]=4 1053 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)O A13862 [0,2,0,0,0,0|1,0,1]=4 1054 B13R2.3085 c1ccc2c(c1)c(=O)c(=O)c2=O 43846 [0,2,0,0,0,0|1,0,1]=4 1055 B13R2.3085 c1ccc2c(c1)c(=O)c(=O)c2=O A10409 [0,2,0,0,0,0|1,0,1]=4 1056 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O H32843 [0,2,0,0,0,0|2,0,0]=4 1057 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O H55594 [0,2,0,0,0,0|2,0,0]=4 1058 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O H26827 [0,2,0,0,0,0|2,0,0]=4 1059 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O H52344 [0,2,0,0,0,0|2,0,0]=4 1060 B13R2.669 COc1ccc2c(c1)C(=O)CC2 L15819 [0,2,0,0,0,0|1,0,0]=3 1061 B13R2.5187 c1cc2c(cc1Br)C(=O)NC2=O H64136 [0,2,0,0,0,0|1,0,1]=4 1062 B13R2.5187 c1cc2c(cc1F)C(=O)OC2=O B21352 [0,2,0,0,0,0|0,0,1]=3 1063 B13R2.5187 c1cc2c(cc1N)C(=O)NC2=O A17051 [0,2,0,0,0,0|1,0,1]=4 1064 B13R2.4857 Cc1cccc2c1C(=O)OC2=O B22864 [0,2,0,0,0,0|0,0,1]=3 1065 B13R2.4857 c1cc2c(c(c1)F)C(=O)OC2=O A12275 [0,2,0,0,0,0|0,0,1]=3 1066 B13R2.582 COc1cccc2c1C(=O)CC2 H66249 [0,2,0,0,0,0|1,0,0]=3 1067 B13R2.11642 c1c(cc(c2c1CCC2=O)Br)Br H54005 [0,2,0,0,0,0|1,0,0]=3 1068 B13R2.11642 c1c(cc(c2c1CCC2=O)Cl)Cl H54007 [0,2,0,0,0,0|1,0,0]=3 1069 B13R2.11642 c1c(cc(c2c1CCC2=O)F)F H54002 [0,2,0,0,0,0|1,0,0]=3 1070 B13R2.2130 COc1ccc2c(c1)CCC2=O L11165 [0,2,0,0,0,0|1,0,0]=3 1071 B13R2.12159 c1ccc2c(c1)C(=O)NS2(=O)=O B23938 [0,2,0,0,0,0|2,0,0]=4 1072 B13R2.12159 c1ccc2c(c1)C(=O)OS2(=O)=O A13314 [0,2,0,0,0,0|1,0,0]=3 1073 B13R2.12159 c1ccc2c(c1)C(=O)SS2(=O)=O L20129 [0,2,0,0,0,0|1,1,0]=4 1074 B13R2.12159 c1ccc2c(c1)C(=O)[N-]S2(=O)=O A15530 [0,2,0,0,0,0|2,0,0]=4 1075 B9R0.2 C\C=C\C=C\COC(=O)C L11050 [0,0,2,0,0,0|0,0,2]=4 1076 B9R0.5 CCOC(=O)\C=C\C=C\C A11431 [0,0,2,0,0,0|0,0,2]=4 1077 B11R2.20 c1ccc2c(c1)CCC=C2 L11430 [0,0,1,1,0,0|2,0,0]=4 1078 B11R2.20 c1ccc2c(c1)CCOC2 A12566 [0,0,1,1,0,0|1,0,1]=4 1079 B9R1.11 CCC(=O)c1ccc[nH]1 B23954 [0,0,1,0,1,0|2,0,0]=4 1080 B9R1.11 CCC(=O)c1ccco1 H26754 [0,0,1,0,1,0|2,0,0]=4 1081 B9R1.11 CCC(=O)c1cccs1 L02318 [0,0,1,0,1,0|2,0,0]=4 1082 B9R1.11 COC(=O)c1c[nH]cn1 H55932 [0,0,1,0,1,0|2,0,0]=4 1083 B9R1.11 COC(=O)c1cc[nH]c1 H54340 [0,0,1,0,1,0|1,0,0]=3 1084 B9R1.11 COC(=O)c1cc[nH]n1 H34148 [0,0,1,0,1,0|2,0,0]=4 1085 B9R1.11 COC(=O)c1ccc[nH]1 H59437 [0,0,1,0,1,0|1,0,0]=3 1086 B9R1.11 COC(=O)c1ccco1 A14009 [0,0,1,0,1,0|1,0,0]=3 1087 B9R1.11 COC(=O)c1cccs1 A12677 [0,0,1,0,1,0|1,0,0]=3 1088 B9R1.11 COC(=O)c1ccno1 B25169 [0,0,1,0,1,0|2,0,0]=4 1089 B9R1.11 COC(=O)c1ccsc1 H61488 [0,0,1,0,1,0|1,0,0]=3 1090 B9R1.11 COC(=O)c1nccs1 H63496 [0,0,1,0,1,0|2,0,0]=4 1091 B9R1.41 CC(=O)c1cccn1C A15353 [0,0,1,0,1,0|2,0,0]=4 1092 B9R1.41 Cc1c(cco1)C(=O)Cl H27206 [0,0,1,0,1,0|2,0,0]=4 1093 B9R1.41 Cc1c(cco1)C(=O)O B24928 [0,0,1,0,1,0|1,0,0]=3 1094 B9R1.41 Cc1c(cno1)C(=O)O L14628 [0,0,1,0,1,0|2,0,0]=4 1095 B9R1.41 Cc1c(con1)C(=O)O L16307 [0,0,1,0,1,0|2,0,0]=4 1096 B9R1.41 Cc1c(scn1)C(=O)O H32662 [0,0,1,0,1,0|2,0,0]=4 1097 B9R1.41 Cc1ccoc1C(=O)O L01763 [0,0,1,0,1,0|1,0,0]=3 1098 B9R1.41 Cc1ccsc1C(=O)C L04086 [0,0,1,0,1,0|2,0,0]=4 1099 B9R1.41 Cc1ccsc1C(=O)Cl L17989 [0,0,1,0,1,0|2,0,0]=4 1100 B9R1.41 Cc1ccsc1C(=O)N L18092 [0,0,1,0,1,0|2,0,0]=4 1101 B9R1.41 Cc1ccsc1C(=O)O A19194 [0,0,1,0,1,0|1,0,0]=3 1102 B9R1.41 Cn1c(ccn1)C(=O)O H32874 [0,0,1,0,1,0|2,0,0]=4 1103 B9R1.41 Cn1cccc1C(=O)Cl L18431 [0,0,1,0,1,0|2,0,0]=4 1104 B9R1.41 Cn1cccc1C(=O)O L05906 [0,0,1,0,1,0|1,0,0]=3 1105 B9R1.41 Cn1ccnc1C(=O)O H51859 [0,0,1,0,1,0|2,0,0]=4 1106 B9R1.41 Cn1cncc1C(=O)O H51106 [0,0,1,0,1,0|2,0,0]=4 1107 B9R1.41 c1csc(c1Br)C(=O)O A11935 [0,0,1,0,1,0|2,0,0]=4 1108 B9R1.41 c1csc(c1Cl)C(=O)O L13560 [0,0,1,0,1,0|2,0,0]=4 1109 B11R1.86 CC(=O)Cc1ccccc1Cl L09846 [0,0,1,0,0,1|2,0,0]=4 1110 B11R1.86 CC(=O)Cc1ccccc1F H61535 [0,0,1,0,0,1|2,0,0]=4 1111 B11R1.86 CC(=O)Nc1ccccc1Br L20132 [0,0,1,0,0,1|2,0,0]=4 1112 B11R1.86 CC(=O)Nc1ccccc1Cl A14711 [0,0,1,0,0,1|2,0,0]=4 1113 B11R1.86 CC(=O)Nc1ccccc1F A16927 [0,0,1,0,0,1|2,0,0]=4 1114 B11R1.86 CC(=O)Nc1ccccc1N H27343 [0,0,1,0,0,1|2,0,0]=4 1115 B11R1.86 CC(=O)Nc1ccccc1O B21264 [0,0,1,0,0,1|2,0,0]=4 1116 B11R1.86 Cc1ccccc1CC(=O)Cl H37418 [0,0,1,0,0,1|1,0,0]=3 1117 B11R1.86 Cc1ccccc1CC(=O)O A15783 [0,0,1,0,0,1|0,0,0]=2 1118 B11R1.86 Cc1ccccc1CC(=S)N H33111 [0,0,1,0,0,1|1,1,0]=4 1119 B11R1.86 Cc1ccccc1NC(=O)C A13235 [0,0,1,0,0,1|1,0,0]=3 1120 B11R1.86 Cc1ccccc1NC(=O)N B23086 [0,0,1,0,0,1|1,0,0]=3 1121 B11R1.86 Cc1ccccc1NC(=S)N B22350 [0,0,1,0,0,1|1,1,0]=4 1122 B11R1.86 c1ccc(c(c1)CC(=O)O)Br A16900 [0,0,1,0,0,1|1,0,0]=3 1123 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl A15834 [0,0,1,0,0,1|1,0,0]=3 1124 B11R1.86 c1ccc(c(c1)CC(=O)O)F A10596 [0,0,1,0,0,1|1,0,0]=3 1125 B11R1.86 c1ccc(c(c1)CC(=O)O)I L15116 [0,0,1,0,0,1|1,0,0]=3 1126 B11R1.86 c1ccc(c(c1)CC(=O)O)O A13924 [0,0,1,0,0,1|1,0,0]=3 1127 B11R1.86 c1ccc(c(c1)NC(=O)N)F L01247 [0,0,1,0,0,1|2,0,0]=4 1128 B13R2.163 c1ccc2c(c1)CCCC(=O)N2 H63576 [0,0,0,0,0,2|1,0,0]=3 1129 B13R2.5252 c1ccc2c(c1)C(=O)OCCO2 L13582 [0,0,0,0,0,2|0,0,0]=2