0 B11R2.10 B1(Oc2ccccc2O1)Br TS18749 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.10 B1(Oc2ccccc2O1)Cl TS10519 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.10 CC1=Cc2ccccc2C1 TS36518 [0,0,0,0,0,0|2,0,0]=2 3 B11R2.10 CC1Cc2ccccc2N1 TS05844 [0,0,0,0,0,0|1,0,2]=3 4 B11R2.10 CC1Cc2ccccc2O1 TS36849 [0,0,0,0,0,0|1,0,1]=2 5 B11R2.10 Cc1[nH]c2c(n1)cccn2 TS05824 [0,0,0,0,0,0|2,0,0]=2 6 B11R2.10 Cc1[nH]c2ccccc2n1 TS01130 [0,0,0,0,0,0|1,0,0]=1 7 B11R2.10 Cc1cc2c([nH]1)cccn2 TS05747 [0,0,0,0,0,0|2,0,1]=3 8 B11R2.10 Cc1cc2ccccc2[nH]1 TS65605 [0,0,0,0,0,0|1,0,1]=2 9 B11R2.10 Cc1cc2ccccc2o1 TS01131 [0,0,0,0,0,0|1,0,0]=1 10 B11R2.10 Cc1cc2ccccc2s1 TS07494 [0,0,0,0,0,0|1,1,0]=2 11 B11R2.10 Cc1cc2cccnc2[nH]1 TS01126 [0,0,0,0,0,0|2,0,1]=3 12 B11R2.10 Cc1cc2ccncc2[nH]1 TS05741 [0,0,0,0,0,0|2,0,1]=3 13 B11R2.10 Cc1cc2cnccc2[nH]1 TS36678 [0,0,0,0,0,0|2,0,1]=3 14 B11R2.10 Cc1cn2ccccc2n1 TS65603 [0,0,0,0,0,0|2,0,0]=2 15 B11R2.10 Cc1nc2c(o1)CCNC2 TS37200 [0,0,0,0,0,0|1,0,3]=4 16 B11R2.10 Cc1nc2c(o1)CNCC2 TS37186 [0,0,0,0,0,0|1,0,3]=4 17 B11R2.10 Cc1nc2ccccc2[se]1 TS53597 [0,0,0,0,0,0|0,1,0]=1 18 B11R2.10 Cc1nc2ccccc2o1 TS36749 [0,0,0,0,0,0|0,0,0]=0 19 B11R2.10 Cc1nc2ccccc2s1 TS01132 [0,0,0,0,0,0|0,1,0]=1 20 B11R2.10 Cn1cc2ccccc2n1 TS86923 [0,0,0,0,0,0|2,0,0]=2 21 B11R2.10 Cn1nc2ccccc2n1 TS05822 [0,0,0,0,0,0|2,0,0]=2 22 B11R2.10 c1c2c(ncn1)nc([nH]2)N TS05983 [0,0,0,0,0,0|4,0,0]=4 23 B11R2.10 c1c2c(ncn1)nc([nH]2)S TS10172 [0,0,0,0,0,0|4,0,0]=4 24 B11R2.10 c1cc2c([nH]c(=O)[nH]2)nc1 TS46947 [0,0,0,0,0,0|3,0,1]=4 25 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 TS01627 [0,0,0,0,0,0|2,0,1]=3 26 B11R2.10 c1cc2c(nc1)CC(=O)N2 TS90280 [0,0,0,0,0,0|3,0,1]=4 27 B11R2.10 c1cc2c(nc1)NC(=O)C2 TS46802 [0,0,0,0,0,0|3,0,1]=4 28 B11R2.10 c1cc2c(nc1)nc([nH]2)S TS41027 [0,0,0,0,0,0|3,0,0]=3 29 B11R2.10 c1cc2c(nc1)nc(o2)S TS10170 [0,0,0,0,0,0|2,0,0]=2 30 B11R2.10 c1cc2c(nc1)nc(s2)Cl TS45250 [0,0,0,0,0,0|2,1,0]=3 31 B11R2.10 c1cc2c(nc1)sc(n2)Br TS55180 [0,0,0,0,0,0|2,1,0]=3 32 B11R2.10 c1cc2c(nc1)sc(n2)N TS41029 [0,0,0,0,0,0|2,1,0]=3 33 B11R2.10 c1cc2c(nc1)sc(n2)S TS12578 [0,0,0,0,0,0|2,1,0]=3 34 B11R2.10 c1cc2cc([nH]c2nc1)Br TS18392 [0,0,0,0,0,0|3,0,1]=4 35 B11R2.10 c1cc2cc([nH]c2nc1)I TS87877 [0,0,0,0,0,0|3,0,1]=4 36 B11R2.10 c1cc[n+]2c(c1)oc(=O)s2 TS16246 [0,0,0,0,0,0|3,0,0]=3 37 B11R2.10 c1ccc2c(c1)CC(=C2)Br TS51952 [0,0,0,0,0,0|3,0,0]=3 38 B11R2.10 c1ccc2c(c1)CC(=O)C2 TS55409 [0,0,0,0,0,0|3,0,0]=3 39 B11R2.10 c1ccc2c(c1)CC(=O)O2 TS36798 [0,0,0,0,0,0|2,0,0]=2 40 B11R2.10 c1ccc2c(c1)CC(=S)N2 TS07593 [0,0,0,0,0,0|2,0,1]=3 41 B11R2.10 c1ccc2c(c1)CC(C2)I TS94847 [0,0,0,0,0,0|3,0,1]=4 42 B11R2.10 c1ccc2c(c1)CC(C2)O TS55408 [0,0,0,0,0,0|3,0,1]=4 43 B11R2.10 c1ccc2c(c1)OP(O2)Cl TS45854 [0,0,0,0,0,0|3,0,0]=3 44 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 TS59941 [0,0,0,0,0,0|1,0,1]=2 45 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br TS55154 [0,0,0,0,0,0|2,0,0]=2 46 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl TS10252 [0,0,0,0,0,0|2,0,0]=2 47 B11R2.10 c1ccc2c(c1)[nH]c(n2)I TS61935 [0,0,0,0,0,0|2,0,0]=2 48 B11R2.10 c1ccc2c(c1)[nH]c(n2)N TS36756 [0,0,0,0,0,0|2,0,0]=2 49 B11R2.10 c1ccc2c(c1)[nH]c(n2)O TS55397 [0,0,0,0,0,0|2,0,0]=2 50 B11R2.10 c1ccc2c(c1)[nH]c(n2)S TS07963 [0,0,0,0,0,0|2,0,0]=2 51 B11R2.10 c1ccc2c(c1)cc([nH]2)Br TS18166 [0,0,0,0,0,0|2,0,1]=3 52 B11R2.10 c1ccc2c(c1)cc([nH]2)Cl TS41070 [0,0,0,0,0,0|2,0,1]=3 53 B11R2.10 c1ccc2c(c1)cc([nH]2)N TS12624 [0,0,0,0,0,0|2,0,1]=3 54 B11R2.10 c1ccc2c(c1)cc(o2)Br TS08818 [0,0,0,0,0,0|2,0,0]=2 55 B11R2.10 c1ccc2c(c1)nc([se]2)S TS44462 [0,0,0,0,0,0|1,1,0]=2 56 B11R2.10 c1ccc2c(c1)nc(o2)Cl TS10355 [0,0,0,0,0,0|1,0,0]=1 57 B11R2.10 c1ccc2c(c1)nc(o2)N TS00367 [0,0,0,0,0,0|1,0,0]=1 58 B11R2.10 c1ccc2c(c1)nc(o2)S TS81065 [0,0,0,0,0,0|1,0,0]=1 59 B11R2.10 c1ccc2c(c1)nc(s2)Br TS00846 [0,0,0,0,0,0|1,1,0]=2 60 B11R2.10 c1ccc2c(c1)nc(s2)Cl TS07939 [0,0,0,0,0,0|1,1,0]=2 61 B11R2.10 c1ccc2c(c1)nc(s2)F TS41271 [0,0,0,0,0,0|1,1,0]=2 62 B11R2.10 c1ccc2c(c1)nc(s2)N TS47465 [0,0,0,0,0,0|1,1,0]=2 63 B11R2.10 c1ccc2c(c1)nc(s2)S TS39815 [0,0,0,0,0,0|1,1,0]=2 64 B11R2.10 c1ccc2c(c1)nc(s2)S TS80959 [0,0,0,0,0,0|1,1,0]=2 65 B11R2.10 c1ccc2c(c1)nn(n2)N TS05888 [0,0,0,0,0,0|3,0,0]=3 66 B11R2.10 c1ccc2c(c1)oc(=O)o2 TS06040 [0,0,0,0,0,0|2,0,0]=2 67 B11R2.10 c1ccn2c(c1)cc(n2)Cl TS00955 [0,0,0,0,0,0|3,0,0]=3 68 B11R2.10 c1ccn2c(c1)nc(n2)N TS22754 [0,0,0,0,0,0|3,0,0]=3 69 B11R2.10 c1cncc2c1CC(=O)N2 TS87911 [0,0,0,0,0,0|3,0,1]=4 70 B11R2.10 c1cncc2c1NC(=O)C2 TS87415 [0,0,0,0,0,0|3,0,1]=4 71 B11R2.10 c1cncc2c1[nH]c(=O)[nH]2 TS05978 [0,0,0,0,0,0|3,0,1]=4 72 B11R2.10 c1cncc2c1[nH]c(n2)N TS64996 [0,0,0,0,0,0|3,0,0]=3 73 B11R2.10 c1cncc2c1cc([nH]2)Br TS18401 [0,0,0,0,0,0|3,0,1]=4 74 B11R2.10 c1cncc2c1nc(s2)N TS91638 [0,0,0,0,0,0|2,1,0]=3 75 B11R2.10 c1cncc2c1sc(n2)N TS41028 [0,0,0,0,0,0|2,1,0]=3 76 B10R2.7 B1Oc2ccccc2O1 TS39809 [1,0,0,0,0,0|2,0,0]=3 77 B10R2.7 c1c2c(nc[nH]2)ncn1 TS32419 [1,0,0,0,0,0|3,0,0]=4 78 B10R2.7 c1c[nH]c2c1ccnc2 TS01216 [1,0,0,0,0,0|2,0,1]=4 79 B10R2.7 c1c[nH]c2c1cncc2 TS71394 [1,0,0,0,0,0|2,0,1]=4 80 B10R2.7 c1cc2c(cc[nH]2)nc1 TS70929 [1,0,0,0,0,0|2,0,1]=4 81 B10R2.7 c1cc2c(cco2)nc1 TS89676 [1,0,0,0,0,0|2,0,0]=3 82 B10R2.7 c1cc2c(ccs2)nc1 TS89324 [1,0,0,0,0,0|2,1,0]=4 83 B10R2.7 c1cc2c(nc1)nn[nH]2 TS32417 [1,0,0,0,0,0|3,0,0]=4 84 B10R2.7 c1cc2cc[nH]c2nc1 TS01299 [1,0,0,0,0,0|2,0,1]=4 85 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [1,0,0,0,0,0|2,0,0]=3 86 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [1,0,0,0,0,0|2,0,0]=3 87 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [1,0,0,0,0,0|2,0,1]=4 88 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [1,0,0,0,0,0|1,0,2]=4 89 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [1,0,0,0,0,0|1,0,1]=3 90 B10R2.7 c1ccc2c(c1)CNN2 TS04812 [1,0,0,0,0,0|2,0,1]=4 91 B10R2.7 c1ccc2c(c1)COC2 TS04810 [1,0,0,0,0,0|3,0,0]=4 92 B10R2.7 c1ccc2c(c1)NCN2 TS04813 [1,0,0,0,0,0|1,0,2]=4 93 B10R2.7 c1ccc2c(c1)OCO2 TS39811 [1,0,0,0,0,0|1,0,1]=3 94 B10R2.7 c1ccc2c(c1)SCS2 TS26450 [1,0,0,0,0,0|1,1,1]=4 95 B10R2.7 c1ccc2c(c1)[nH]cn2 TS04721 [1,0,0,0,0,0|1,0,0]=2 96 B10R2.7 c1ccc2c(c1)[nH]nn2 TS04780 [1,0,0,0,0,0|2,0,0]=3 97 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [1,0,0,0,0,0|1,0,1]=3 98 B10R2.7 c1ccc2c(c1)cc[se]2 TS48035 [1,0,0,0,0,0|1,1,0]=3 99 B10R2.7 c1ccc2c(c1)cco2 TS39813 [1,0,0,0,0,0|1,0,0]=2 100 B10R2.7 c1ccc2c(c1)ccs2 TS55756 [1,0,0,0,0,0|1,1,0]=3 101 B10R2.7 c1ccc2c(c1)cn[nH]2 TS04722 [1,0,0,0,0,0|2,0,1]=4 102 B10R2.7 c1ccc2c(c1)cn[nH]2 TS72162 [1,0,0,0,0,0|2,0,1]=4 103 B10R2.7 c1ccc2c(c1)cno2 TS32395 [1,0,0,0,0,0|2,0,0]=3 104 B10R2.7 c1ccc2c(c1)cns2 TS06001 [1,0,0,0,0,0|2,1,0]=4 105 B10R2.7 c1ccc2c(c1)con2 TS32394 [1,0,0,0,0,0|2,0,0]=3 106 B10R2.7 c1ccc2c(c1)nco2 TS32393 [1,0,0,0,0,0|0,0,0]=1 107 B10R2.7 c1ccc2c(c1)ncs2 TS05999 [1,0,0,0,0,0|0,1,0]=2 108 B10R2.7 c1ccc2c(c1)nns2 TS37006 [1,0,0,0,0,0|1,1,0]=3 109 B10R2.7 c1ccc2c(c1)non2 TS47106 [1,0,0,0,0,0|2,0,0]=3 110 B10R2.7 c1ccc2c(c1)nsn2 TS85179 [1,0,0,0,0,0|2,0,0]=3 111 B10R2.7 c1ccn2c(c1)ccn2 TS04725 [1,0,0,0,0,0|2,0,0]=3 112 B10R2.7 c1ccn2cccc2c1 TS04676 [1,0,0,0,0,0|3,0,0]=4 113 B10R2.7 c1ccn2ccnc2c1 TS56184 [1,0,0,0,0,0|2,0,0]=3 114 B10R2.7 c1cn2ccnc2cn1 TS56181 [1,0,0,0,0,0|3,0,0]=4 115 B10R2.7 c1cnc-2nc[nH]cc12 TS04778 [1,0,0,0,0,0|3,0,0]=4 116 B10R2.7 c1cnc2ccnn2c1 TS88132 [1,0,0,0,0,0|3,0,0]=4 117 B10R2.7 c1cnc2nccn2c1 TS59647 [1,0,0,0,0,0|3,0,0]=4 118 B10R2.7 c1cnc2ncnn2c1 TS32416 [1,0,0,0,0,0|3,0,0]=4 119 B10R2.7 c1cncc2c1nc[nH]2 TS88066 [1,0,0,0,0,0|2,0,0]=3 120 B12R2.18 CC1Cc2ccccc2C1=O TS07227 [0,1,0,0,0,0|2,0,1]=4 121 B12R2.18 CC1Cc2ccccc2N1N TS15399 [0,1,0,0,0,0|1,0,2]=4 122 B12R2.18 CC1Cc2ccccc2N1N TS40679 [0,1,0,0,0,0|1,0,2]=4 123 B12R2.18 CC1c2ccccc2NC1=O TS85089 [0,1,0,0,0,0|2,0,1]=4 124 B12R2.18 CC1c2ccccc2NC1C TS40570 [0,1,0,0,0,0|1,0,2]=4 125 B12R2.18 CN1c2ccccc2CC1=O TS40524 [0,1,0,0,0,0|2,0,1]=4 126 B12R2.18 Cc1c([nH]c2c1cccc2)C TS32886 [0,1,0,0,0,0|1,0,1]=3 127 B12R2.18 Cc1c(c2ccccc2s1)Br TS60005 [0,1,0,0,0,0|1,1,0]=3 128 B12R2.18 Cc1c(c2cccnc2[nH]1)Br TS88663 [0,1,0,0,0,0|2,0,1]=4 129 B12R2.18 Cc1c(c2cccnc2[nH]1)I TS92818 [0,1,0,0,0,0|2,0,1]=4 130 B12R2.18 Cc1c(n2ccccc2n1)Br TS21075 [0,1,0,0,0,0|2,0,0]=3 131 B12R2.18 Cc1c(n2ccccc2n1)N TS40556 [0,1,0,0,0,0|2,0,0]=3 132 B12R2.18 Cc1c(oc2c1cccc2)C TS07222 [0,1,0,0,0,0|1,0,0]=2 133 B12R2.18 Cc1c(sc2c1cccc2)C TS11616 [0,1,0,0,0,0|1,1,0]=3 134 B12R2.18 Cc1cc2ccccc2n1C TS00349 [0,1,0,0,0,0|1,0,1]=3 135 B12R2.18 Cn1c(c2ccccc2n1)Br TS92026 [0,1,0,0,0,0|2,0,0]=3 136 B12R2.18 Cn1c(c2ccccc2n1)I TS87124 [0,1,0,0,0,0|2,0,0]=3 137 B12R2.18 Cn1c2ccccc2cc1O TS07340 [0,1,0,0,0,0|2,0,1]=4 138 B12R2.18 Cn1c2ccccc2nc1Cl TS12322 [0,1,0,0,0,0|2,0,0]=3 139 B12R2.18 Cn1c2ccccc2nc1N TS40545 [0,1,0,0,0,0|2,0,0]=3 140 B12R2.18 Cn1c2ccccc2oc1=O TS40731 [0,1,0,0,0,0|1,0,1]=3 141 B12R2.18 Cn1c2ccccc2oc1=S TS42927 [0,1,0,0,0,0|1,0,1]=3 142 B12R2.18 Cn1c2ccccc2sc1=O TS42917 [0,1,0,0,0,0|1,1,1]=4 143 B12R2.18 Cn1c2ccccc2sc1=S TS48129 [0,1,0,0,0,0|1,1,1]=4 144 B12R2.18 c1ccc2c(c1)C(=N)C(=O)N2 TS40395 [0,1,0,0,0,0|2,0,1]=4 145 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 TS47172 [0,1,0,0,0,0|2,0,1]=4 146 B12R2.18 c1ccc2c(c1)C(C(=O)N2)N TS07428 [0,1,0,0,0,0|2,0,1]=4 147 B12R2.18 c1ccc2c(c1)C(C(=O)O2)Br TS44289 [0,1,0,0,0,0|2,0,0]=3 148 B12R2.18 c1ccc2c(c1)CC(=O)C2=O TS07174 [0,1,0,0,0,0|3,0,0]=4 149 B12R2.32 C=Cc1[nH]c2ccccc2n1 TS40188 [0,1,0,0,0,0|1,0,1]=3 150 B12R2.32 CCC1=Cc2ccccc2C1 TS07003 [0,1,0,0,0,0|2,0,0]=3 151 B12R2.32 CC[n+]1cc2ccccc2o1 TS56594 [0,1,0,0,0,0|2,0,0]=3 152 B12R2.32 CCc1[nH]c2ccccc2n1 TS02156 [0,1,0,0,0,0|1,0,0]=2 153 B12R2.32 CCc1cc2ccccc2[nH]1 TS55313 [0,1,0,0,0,0|1,0,1]=3 154 B12R2.32 CCc1cc2ccccc2o1 TS07223 [0,1,0,0,0,0|1,0,0]=2 155 B12R2.32 CCc1nc2ccccc2o1 TS40537 [0,1,0,0,0,0|0,0,0]=1 156 B12R2.32 CNC1Cc2ccccc2C1 TS15214 [0,1,0,0,0,0|2,0,1]=4 157 B12R2.32 CNc1nc2ccccc2s1 TS11921 [0,1,0,0,0,0|0,1,0]=2 158 B12R2.32 CSc1[nH]c2ccccc2n1 TS42780 [0,1,0,0,0,0|1,0,0]=2 159 B12R2.32 CSc1nc2c(o1)cccn2 TS43099 [0,1,0,0,0,0|1,0,0]=2 160 B12R2.32 CSc1nc2ccccc2o1 TS42921 [0,1,0,0,0,0|0,0,0]=1 161 B12R2.32 CSc1nc2ccccc2s1 TS48126 [0,1,0,0,0,0|0,1,0]=2 162 B12R2.32 CSc1nc2ccncc2o1 TS43101 [0,1,0,0,0,0|1,0,0]=2 163 B12R2.32 c1ccc2c(c1)CC(=NO)C2 TS07338 [0,1,0,0,0,0|3,0,0]=4 164 B12R2.32 c1ccc2c(c1)CC(N2)CO TS40762 [0,1,0,0,0,0|1,0,2]=4 165 B12R2.32 c1ccc2c(c1)CC(O2)CN TS15534 [0,1,0,0,0,0|1,0,1]=3 166 B12R2.32 c1ccc2c(c1)C[C@H](N2)CO TS40740 [0,1,0,0,0,0|1,0,2]=4 167 B12R2.32 c1ccc2c(c1)[nH]c(n2)C#N TS06841 [0,1,0,0,0,0|1,0,1]=3 168 B12R2.32 c1ccc2c(c1)[nH]c(n2)C=O TS46946 [0,1,0,0,0,0|1,0,1]=3 169 B12R2.32 c1ccc2c(c1)[nH]c(n2)CCl TS47086 [0,1,0,0,0,0|1,0,0]=2 170 B12R2.32 c1ccc2c(c1)[nH]c(n2)CO TS77182 [0,1,0,0,0,0|1,0,0]=2 171 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O TS59905 [0,1,0,0,0,0|1,0,2]=4 172 B12R2.32 c1ccc2c(c1)cc([nH]2)CN TS46492 [0,1,0,0,0,0|1,0,1]=3 173 B12R2.32 c1ccc2c(c1)cc(o2)C#N TS00399 [0,1,0,0,0,0|1,0,1]=3 174 B12R2.32 c1ccc2c(c1)cc(o2)C=O TS55751 [0,1,0,0,0,0|1,0,1]=3 175 B12R2.32 c1ccc2c(c1)cc(o2)CO TS07422 [0,1,0,0,0,0|1,0,0]=2 176 B12R2.32 c1ccc2c(c1)cc(s2)C#N TS55752 [0,1,0,0,0,0|1,1,1]=4 177 B12R2.32 c1ccc2c(c1)cc(s2)C=O TS09022 [0,1,0,0,0,0|1,1,1]=4 178 B12R2.32 c1ccc2c(c1)cc(s2)CN TS42619 [0,1,0,0,0,0|1,1,0]=3 179 B12R2.32 c1ccc2c(c1)cc(s2)CO TS11913 [0,1,0,0,0,0|1,1,0]=3 180 B12R2.32 c1ccc2c(c1)cc(s2)C[NH3+] TS37825 [0,1,0,0,0,0|1,1,0]=3 181 B12R2.32 c1ccc2c(c1)nc(o2)C=O TS07300 [0,1,0,0,0,0|0,0,1]=2 182 B12R2.32 c1ccc2c(c1)nc(o2)CCl TS43272 [0,1,0,0,0,0|0,0,0]=1 183 B12R2.32 c1ccc2c(c1)nc(o2)CN TS55755 [0,1,0,0,0,0|0,0,0]=1 184 B12R2.32 c1ccc2c(c1)nc(o2)NN TS07555 [0,1,0,0,0,0|1,0,0]=2 185 B12R2.32 c1ccc2c(c1)nc(s2)C=O TS00363 [0,1,0,0,0,0|0,1,1]=3 186 B12R2.32 c1ccc2c(c1)nc(s2)CBr TS47082 [0,1,0,0,0,0|0,1,0]=2 187 B12R2.32 c1ccc2c(c1)nc(s2)CCl TS15201 [0,1,0,0,0,0|0,1,0]=2 188 B12R2.32 c1ccc2c(c1)nc(s2)CI TS30990 [0,1,0,0,0,0|0,1,0]=2 189 B12R2.32 c1ccc2c(c1)nc(s2)CN TS19126 [0,1,0,0,0,0|0,1,0]=2 190 B12R2.32 c1ccc2c(c1)nc(s2)CO TS42923 [0,1,0,0,0,0|0,1,0]=2 191 B12R2.32 c1ccc2c(c1)nc(s2)NN TS12054 [0,1,0,0,0,0|1,1,0]=3 192 B12R2.32 c1ccc2c(c1)nc(s2)S[Na] TS16208 [0,1,0,0,0,0|1,1,0]=3 193 B12R2.32 c1ccn2c(c1)cc(n2)C=O TS40399 [0,1,0,0,0,0|2,0,1]=4 194 B12R2.32 c1ccn2c(c1)cc(n2)CN TS40539 [0,1,0,0,0,0|2,0,0]=3 195 B12R2.32 c1ccn2cc(nc2c1)C=O TS56185 [0,1,0,0,0,0|2,0,1]=4 196 B12R2.32 c1ccn2cc(nc2c1)CBr TS21073 [0,1,0,0,0,0|2,0,0]=3 197 B12R2.32 c1ccn2cc(nc2c1)CCl TS12318 [0,1,0,0,0,0|2,0,0]=3 198 B12R2.32 c1ccn2cc(nc2c1)CO TS40626 [0,1,0,0,0,0|2,0,0]=3 199 B12R2.32 c1cnc2nc(cn2c1)CCl TS12438 [0,1,0,0,0,0|3,0,0]=4 200 B12R2.32 c1cnc2nc(cn2c1)CN TS07442 [0,1,0,0,0,0|3,0,0]=4 201 B12R2.32 c1cncc2c1cc([nH]2)CN TS40544 [0,1,0,0,0,0|2,0,1]=4 202 B12R2.95 CC1(Oc2ccccc2O1)C TS40852 [0,1,0,0,0,0|1,0,1]=3 203 B12R2.95 c1ccc2c(c1)OC(O2)(F)F TS34627 [0,1,0,0,0,0|2,0,1]=4 204 B12R2.95 c1ccc2c(c1)OP(=O)(O2)Cl TS17181 [0,1,0,0,0,0|3,0,0]=4 205 B12R2.202 Cc1[nH]c2c(=O)[nH]cnc2n1 TS55710 [0,1,0,0,0,0|3,0,0]=4 206 B12R2.202 Cc1[nH]c2c(cccc2n1)N TS40552 [0,1,0,0,0,0|1,0,0]=2 207 B12R2.202 Cc1cc2c([nH]1)cccc2O TS39281 [0,1,0,0,0,0|1,0,1]=3 208 B12R2.202 Cc1cc2c(ccnc2[nH]1)Br TS89739 [0,1,0,0,0,0|2,0,1]=4 209 B12R2.202 Cc1cc2c(ccnc2[nH]1)Cl TS86779 [0,1,0,0,0,0|2,0,1]=4 210 B12R2.202 Cc1cc2c(ccnc2[nH]1)O TS87126 [0,1,0,0,0,0|2,0,1]=4 211 B12R2.202 Cc1cc2c(o1)c(ccn2)Cl TS90538 [0,1,0,0,0,0|2,0,0]=3 212 B12R2.202 Cc1cc2c(s1)c(ccn2)Cl TS85819 [0,1,0,0,0,0|2,1,0]=4 213 B12R2.202 Cc1cc2ccnc(c2[nH]1)Cl TS86480 [0,1,0,0,0,0|2,0,1]=4 214 B12R2.202 Cc1cccc2c1nc(s2)Br TS52596 [0,1,0,0,0,0|1,1,0]=3 215 B12R2.202 Cc1cccc2c1nc(s2)C TS42615 [0,1,0,0,0,0|0,1,0]=2 216 B12R2.202 Cc1cccc2c1nc(s2)Cl TS15198 [0,1,0,0,0,0|1,1,0]=3 217 B12R2.202 Cc1cccc2c1nc(s2)N TS11915 [0,1,0,0,0,0|1,1,0]=3 218 B12R2.202 Cc1cccc2c1nc(s2)O TS42916 [0,1,0,0,0,0|1,1,0]=3 219 B12R2.202 Cc1cn2cccc(c2n1)N TS65604 [0,1,0,0,0,0|2,0,0]=3 220 B12R2.202 Cc1cn2cccc(c2n1)O TS07437 [0,1,0,0,0,0|2,0,0]=3 221 B12R2.202 Cc1cn2ccnc(c2n1)Cl TS86288 [0,1,0,0,0,0|3,0,0]=4 222 B12R2.202 Cn1cc2c(cccc2n1)N TS90005 [0,1,0,0,0,0|2,0,0]=3 223 B12R2.202 Cn1cc2c(n1)cccc2Br TS89290 [0,1,0,0,0,0|2,0,0]=3 224 B12R2.202 Cn1cc2c(n1)cccc2I TS90911 [0,1,0,0,0,0|2,0,0]=3 225 B12R2.202 Cn1cc2cccc(c2n1)Br TS90852 [0,1,0,0,0,0|2,0,0]=3 226 B12R2.202 Cn1cc2cccc(c2n1)I TS89346 [0,1,0,0,0,0|2,0,0]=3 227 B12R2.202 Cn1cc2cccc(c2n1)N TS87663 [0,1,0,0,0,0|2,0,0]=3 228 B12R2.202 c1c2c(c(cn1)Cl)nc(s2)Br TS85786 [0,1,0,0,0,0|2,1,0]=4 229 B12R2.202 c1cc(c2c(c1)sc(=O)[nH]2)F TS45001 [0,1,0,0,0,0|1,1,1]=4 230 B12R2.202 c1cc(c2c(c1)sc(n2)Cl)F TS00886 [0,1,0,0,0,0|1,1,0]=3 231 B12R2.202 c1cc(c2c(c1)sc(n2)N)F TS12540 [0,1,0,0,0,0|1,1,0]=3 232 B12R2.202 c1cc(c2c(c1)sc(n2)N)O TS47398 [0,1,0,0,0,0|1,1,0]=3 233 B12R2.202 c1cc(c2cc(nn2c1)N)Br TS92459 [0,1,0,0,0,0|3,0,0]=4 234 B12R2.202 c1cc(c2nc(nn2c1)N)Br TS33011 [0,1,0,0,0,0|3,0,0]=4 235 B12R2.202 c1cc2c(c(c1)Br)CC(=O)C2 TS21068 [0,1,0,0,0,0|3,0,0]=4 236 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 TS70998 [0,1,0,0,0,0|2,0,1]=4 237 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 TS21232 [0,1,0,0,0,0|2,0,1]=4 238 B12R2.202 c1cc2c(c(c1)Br)[nH]c(=O)s2 TS09581 [0,1,0,0,0,0|1,1,1]=4 239 B12R2.202 c1cc2c(c(c1)Br)nc(s2)Cl TS27816 [0,1,0,0,0,0|1,1,0]=3 240 B12R2.202 c1cc2c(c(c1)Br)nc(s2)N TS24671 [0,1,0,0,0,0|1,1,0]=3 241 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)C2 TS12307 [0,1,0,0,0,0|3,0,0]=4 242 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 TS60055 [0,1,0,0,0,0|2,0,1]=4 243 B12R2.202 c1cc2c(c(c1)Cl)nc(s2)Br TS55099 [0,1,0,0,0,0|1,1,0]=3 244 B12R2.202 c1cc2c(c(c1)Cl)nc(s2)Cl TS47212 [0,1,0,0,0,0|1,1,0]=3 245 B12R2.202 c1cc2c(c(c1)F)CC(=O)N2 TS40977 [0,1,0,0,0,0|2,0,1]=4 246 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 TS40986 [0,1,0,0,0,0|2,0,1]=4 247 B12R2.202 c1cc2c(cc(s2)N)c(c1)Br TS92009 [0,1,0,0,0,0|2,1,0]=4 248 B12R2.202 c1cc2cc(sc2c(c1)Br)N TS85914 [0,1,0,0,0,0|2,1,0]=4 249 B12R2.202 c1cc2nc(nn2c(c1)Br)N TS85250 [0,1,0,0,0,0|3,0,0]=4 250 B12R2.202 c1cnc2cc(oc2c1Cl)I TS90539 [0,1,0,0,0,0|3,0,0]=4 251 B12R2.606 Cc1[nH]c2c(n1)cnc(n2)Cl TS92803 [0,1,0,0,0,0|3,0,0]=4 252 B12R2.606 Cc1[nH]c2cc(ccc2n1)Br TS09793 [0,1,0,0,0,0|1,0,0]=2 253 B12R2.606 Cc1[nH]c2cc(ccc2n1)Cl TS12316 [0,1,0,0,0,0|1,0,0]=2 254 B12R2.606 Cc1[nH]c2cc(ccc2n1)F TS09850 [0,1,0,0,0,0|1,0,0]=2 255 B12R2.606 Cc1[nH]c2cc(ccc2n1)N TS55443 [0,1,0,0,0,0|1,0,0]=2 256 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br TS20836 [0,1,0,0,0,0|1,0,1]=3 257 B12R2.606 Cc1cc2cc(ccc2[nH]1)Cl TS60433 [0,1,0,0,0,0|1,0,1]=3 258 B12R2.606 Cc1cc2cc(ccc2[nH]1)F TS71549 [0,1,0,0,0,0|1,0,1]=3 259 B12R2.606 Cc1cc2cc(ccc2[nH]1)N TS40440 [0,1,0,0,0,0|1,0,1]=3 260 B12R2.606 Cc1cc2cc(ccc2[nH]1)O TS40522 [0,1,0,0,0,0|1,0,1]=3 261 B12R2.606 Cc1cc2cc(ccc2o1)I TS68076 [0,1,0,0,0,0|1,0,0]=2 262 B12R2.606 Cc1cc2cc(ccc2o1)N TS07331 [0,1,0,0,0,0|1,0,0]=2 263 B12R2.606 Cc1cc2cc(cnc2[nH]1)Br TS87538 [0,1,0,0,0,0|2,0,1]=4 264 B12R2.606 Cc1cc2cc(cnc2[nH]1)N TS90437 [0,1,0,0,0,0|2,0,1]=4 265 B12R2.606 Cc1cc2ccc(cc2[nH]1)O TS40529 [0,1,0,0,0,0|1,0,1]=3 266 B12R2.606 Cc1cc2nc(ccn2n1)Cl TS86222 [0,1,0,0,0,0|3,0,0]=4 267 B12R2.606 Cc1cc2ncc(cn2n1)Br TS88114 [0,1,0,0,0,0|3,0,0]=4 268 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)[nH]2 TS07438 [0,1,0,0,0,0|2,0,1]=4 269 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)o2 TS40723 [0,1,0,0,0,0|1,0,1]=3 270 B12R2.606 Cc1ccc2c(c1)[nH]c(n2)S TS94295 [0,1,0,0,0,0|2,0,0]=3 271 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C TS47275 [0,1,0,0,0,0|1,0,1]=3 272 B12R2.606 Cc1ccc2c(c1)cc(s2)Br TS52472 [0,1,0,0,0,0|2,1,0]=4 273 B12R2.606 Cc1ccc2c(c1)cc(s2)C TS11615 [0,1,0,0,0,0|1,1,0]=3 274 B12R2.606 Cc1ccc2c(c1)nc([nH]2)C TS40430 [0,1,0,0,0,0|1,0,0]=2 275 B12R2.606 Cc1ccc2c(c1)nc([nH]2)N TS40540 [0,1,0,0,0,0|2,0,0]=3 276 B12R2.606 Cc1ccc2c(c1)nc([se]2)C TS43742 [0,1,0,0,0,0|0,1,0]=2 277 B12R2.606 Cc1ccc2c(c1)nc(o2)C TS40520 [0,1,0,0,0,0|0,0,0]=1 278 B12R2.606 Cc1ccc2c(c1)nc(o2)S TS42919 [0,1,0,0,0,0|1,0,0]=2 279 B12R2.606 Cc1ccc2c(c1)nc(s2)N TS08953 [0,1,0,0,0,0|1,1,0]=3 280 B12R2.606 Cc1ccc2c(c1)nc(s2)S TS48128 [0,1,0,0,0,0|1,1,0]=3 281 B12R2.606 Cc1ccc2c(c1)sc(=O)[nH]2 TS42926 [0,1,0,0,0,0|1,1,1]=4 282 B12R2.606 Cc1ccc2c(c1)sc(n2)Br TS85132 [0,1,0,0,0,0|1,1,0]=3 283 B12R2.606 Cc1ccc2c(c1)sc(n2)C TS11740 [0,1,0,0,0,0|0,1,0]=2 284 B12R2.606 Cc1ccc2c(c1)sc(n2)Cl TS07937 [0,1,0,0,0,0|1,1,0]=3 285 B12R2.606 Cc1ccc2c(c1)sc(n2)N TS16301 [0,1,0,0,0,0|1,1,0]=3 286 B12R2.606 Cc1ccc2c(c1)sc(n2)S TS48130 [0,1,0,0,0,0|1,1,0]=3 287 B12R2.606 Cc1ccc2cc(sc2c1)C TS77504 [0,1,0,0,0,0|1,1,0]=3 288 B12R2.606 Cc1ccn2cc(nc2c1)C TS40448 [0,1,0,0,0,0|2,0,0]=3 289 B12R2.606 Cc1cn2c(n1)ccc(n2)Cl TS12439 [0,1,0,0,0,0|3,0,0]=4 290 B12R2.606 Cc1cn2cc(cnc2n1)Br TS21244 [0,1,0,0,0,0|3,0,0]=4 291 B12R2.606 Cc1nc2cc(ccc2o1)Cl TS43275 [0,1,0,0,0,0|0,0,0]=1 292 B12R2.606 Cc1nc2cc(ccc2o1)N TS40623 [0,1,0,0,0,0|0,0,0]=1 293 B12R2.606 Cc1nc2cc(ccc2o1)O TS40718 [0,1,0,0,0,0|0,0,0]=1 294 B12R2.606 Cc1nc2cc(ccc2s1)Br TS08701 [0,1,0,0,0,0|0,1,0]=2 295 B12R2.606 Cc1nc2cc(ccc2s1)Cl TS39770 [0,1,0,0,0,0|0,1,0]=2 296 B12R2.606 Cc1nc2cc(ccc2s1)F TS12390 [0,1,0,0,0,0|0,1,0]=2 297 B12R2.606 Cc1nc2cc(ccc2s1)N TS11917 [0,1,0,0,0,0|0,1,0]=2 298 B12R2.606 Cc1nc2cc(ccc2s1)N TS26018 [0,1,0,0,0,0|0,1,0]=2 299 B12R2.606 Cc1nc2ccc(cc2o1)Cl TS43270 [0,1,0,0,0,0|0,0,0]=1 300 B12R2.606 Cc1nc2ccc(cc2o1)N TS55441 [0,1,0,0,0,0|0,0,0]=1 301 B12R2.606 Cc1nc2ccc(cc2s1)Br TS22917 [0,1,0,0,0,0|0,1,0]=2 302 B12R2.606 Cc1nc2ccc(cc2s1)Cl TS15197 [0,1,0,0,0,0|0,1,0]=2 303 B12R2.606 Cc1nc2ccc(cc2s1)F TS12389 [0,1,0,0,0,0|0,1,0]=2 304 B12R2.606 Cc1nc2ccc(cc2s1)I TS30989 [0,1,0,0,0,0|0,1,0]=2 305 B12R2.606 Cc1nc2ccc(cc2s1)N TS46421 [0,1,0,0,0,0|0,1,0]=2 306 B12R2.606 Cc1nc2ccc(cc2s1)O TS55465 [0,1,0,0,0,0|0,1,0]=2 307 B12R2.606 Cn1cc2cc(ccc2n1)Br TS89291 [0,1,0,0,0,0|2,0,0]=3 308 B12R2.606 Cn1cc2cc(ccc2n1)I TS68079 [0,1,0,0,0,0|2,0,0]=3 309 B12R2.606 Cn1cc2cc(ccc2n1)N TS40550 [0,1,0,0,0,0|2,0,0]=3 310 B12R2.606 Cn1cc2cc(cnc2n1)Br TS85863 [0,1,0,0,0,0|3,0,0]=4 311 B12R2.606 Cn1cc2cc(cnc2n1)N TS92042 [0,1,0,0,0,0|3,0,0]=4 312 B12R2.606 Cn1cc2ccc(cc2n1)Br TS88565 [0,1,0,0,0,0|2,0,0]=3 313 B12R2.606 Cn1cc2ccc(cc2n1)I TS89347 [0,1,0,0,0,0|2,0,0]=3 314 B12R2.606 Cn1cc2ccc(cc2n1)N TS29574 [0,1,0,0,0,0|2,0,0]=3 315 B12R2.606 Cn1cc2ccc(cc2n1)N TS87632 [0,1,0,0,0,0|2,0,0]=3 316 B12R2.606 c1c(cnc2c1oc(=O)[nH]2)Br TS22928 [0,1,0,0,0,0|2,0,1]=4 317 B12R2.606 c1c(cnc2c1oc(=O)[nH]2)Cl TS45224 [0,1,0,0,0,0|2,0,1]=4 318 B12R2.606 c1cc(cc2c1cc(s2)N)Br TS89765 [0,1,0,0,0,0|2,1,0]=4 319 B12R2.606 c1cc(cn2c1cc(n2)Br)Cl TS90923 [0,1,0,0,0,0|3,0,0]=4 320 B12R2.606 c1cc(nc2c1[nH]c(n2)Cl)Cl TS94430 [0,1,0,0,0,0|3,0,0]=4 321 B12R2.606 c1cc(nc2c1nc(s2)N)Cl TS39774 [0,1,0,0,0,0|2,1,0]=4 322 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 TS03251 [0,1,0,0,0,0|3,0,0]=4 323 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 TS09811 [0,1,0,0,0,0|2,0,1]=4 324 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 TS16474 [0,1,0,0,0,0|2,0,1]=4 325 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)[nH]2 TS03247 [0,1,0,0,0,0|2,0,1]=4 326 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)o2 TS44434 [0,1,0,0,0,0|1,0,1]=3 327 B12R2.606 c1cc2c(cc1Br)cc(s2)N TS86825 [0,1,0,0,0,0|2,1,0]=4 328 B12R2.606 c1cc2c(cc1Br)nc(o2)N TS44292 [0,1,0,0,0,0|1,0,0]=2 329 B12R2.606 c1cc2c(cc1Br)nc(o2)S TS24830 [0,1,0,0,0,0|1,0,0]=2 330 B12R2.606 c1cc2c(cc1Br)nc(s2)N TS47428 [0,1,0,0,0,0|1,1,0]=3 331 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 TS55544 [0,1,0,0,0,0|1,0,1]=3 332 B12R2.606 c1cc2c(cc1Br)oc(=S)[nH]2 TS33008 [0,1,0,0,0,0|1,0,1]=3 333 B12R2.606 c1cc2c(cc1Br)oc(n2)N TS00795 [0,1,0,0,0,0|1,0,0]=2 334 B12R2.606 c1cc2c(cc1Br)sc(=O)[nH]2 TS24828 [0,1,0,0,0,0|1,1,1]=4 335 B12R2.606 c1cc2c(cc1Br)sc(n2)Br TS00694 [0,1,0,0,0,0|1,1,0]=3 336 B12R2.606 c1cc2c(cc1Br)sc(n2)Cl TS55545 [0,1,0,0,0,0|1,1,0]=3 337 B12R2.606 c1cc2c(cc1Br)sc(n2)N TS00794 [0,1,0,0,0,0|1,1,0]=3 338 B12R2.606 c1cc2c(cc1Br)sc(n2)S TS62257 [0,1,0,0,0,0|1,1,0]=3 339 B12R2.606 c1cc2c(cc1Cl)CC(=O)C2 TS12308 [0,1,0,0,0,0|3,0,0]=4 340 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 TS55581 [0,1,0,0,0,0|2,0,1]=4 341 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 TS45043 [0,1,0,0,0,0|1,0,1]=3 342 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)s2 TS09830 [0,1,0,0,0,0|1,1,1]=4 343 B12R2.606 c1cc2c(cc1Cl)[nH]c(n2)Cl TS15755 [0,1,0,0,0,0|2,0,0]=3 344 B12R2.606 c1cc2c(cc1Cl)[nH]c(n2)S TS48679 [0,1,0,0,0,0|2,0,0]=3 345 B12R2.606 c1cc2c(cc1Cl)nc([nH]2)N TS08808 [0,1,0,0,0,0|2,0,0]=3 346 B12R2.606 c1cc2c(cc1Cl)nc(o2)Cl TS47259 [0,1,0,0,0,0|1,0,0]=2 347 B12R2.606 c1cc2c(cc1Cl)nc(o2)N TS44943 [0,1,0,0,0,0|1,0,0]=2 348 B12R2.606 c1cc2c(cc1Cl)nc(s2)N TS48682 [0,1,0,0,0,0|1,1,0]=3 349 B12R2.606 c1cc2c(cc1Cl)nc(s2)S TS38190 [0,1,0,0,0,0|1,1,0]=3 350 B12R2.606 c1cc2c(cc1Cl)oc(=O)[nH]2 TS45042 [0,1,0,0,0,0|1,0,1]=3 351 B12R2.606 c1cc2c(cc1Cl)oc(n2)Cl TS47299 [0,1,0,0,0,0|1,0,0]=2 352 B12R2.606 c1cc2c(cc1Cl)oc(n2)N TS44940 [0,1,0,0,0,0|1,0,0]=2 353 B12R2.606 c1cc2c(cc1Cl)oc(n2)S TS48798 [0,1,0,0,0,0|1,0,0]=2 354 B12R2.606 c1cc2c(cc1Cl)sc(=O)[nH]2 TS55564 [0,1,0,0,0,0|1,1,1]=4 355 B12R2.606 c1cc2c(cc1Cl)sc(n2)Br TS55140 [0,1,0,0,0,0|1,1,0]=3 356 B12R2.606 c1cc2c(cc1Cl)sc(n2)Cl TS39814 [0,1,0,0,0,0|1,1,0]=3 357 B12R2.606 c1cc2c(cc1Cl)sc(n2)N TS23235 [0,1,0,0,0,0|1,1,0]=3 358 B12R2.606 c1cc2c(cc1Cl)sc(n2)N TS32669 [0,1,0,0,0,0|1,1,0]=3 359 B12R2.606 c1cc2c(cc1Cl)sc(n2)S TS38191 [0,1,0,0,0,0|1,1,0]=3 360 B12R2.606 c1cc2c(cc1F)CC(=O)C2 TS40837 [0,1,0,0,0,0|3,0,0]=4 361 B12R2.606 c1cc2c(cc1F)CC(=O)N2 TS03325 [0,1,0,0,0,0|2,0,1]=4 362 B12R2.606 c1cc2c(cc1F)NC(=O)C2 TS01232 [0,1,0,0,0,0|2,0,1]=4 363 B12R2.606 c1cc2c(cc1F)[nH]c(=O)[nH]2 TS03295 [0,1,0,0,0,0|2,0,1]=4 364 B12R2.606 c1cc2c(cc1F)[nH]c(=S)[nH]2 TS12538 [0,1,0,0,0,0|2,0,1]=4 365 B12R2.606 c1cc2c(cc1F)[nH]c(n2)Cl TS12907 [0,1,0,0,0,0|2,0,0]=3 366 B12R2.606 c1cc2c(cc1F)nc(o2)N TS41096 [0,1,0,0,0,0|1,0,0]=2 367 B12R2.606 c1cc2c(cc1F)nc(o2)S TS44993 [0,1,0,0,0,0|1,0,0]=2 368 B12R2.606 c1cc2c(cc1F)nc(s2)N TS12533 [0,1,0,0,0,0|1,1,0]=3 369 B12R2.606 c1cc2c(cc1F)sc(=O)[nH]2 TS01225 [0,1,0,0,0,0|1,1,1]=4 370 B12R2.606 c1cc2c(cc1F)sc(n2)Br TS08358 [0,1,0,0,0,0|1,1,0]=3 371 B12R2.606 c1cc2c(cc1F)sc(n2)Cl TS46394 [0,1,0,0,0,0|1,1,0]=3 372 B12R2.606 c1cc2c(cc1F)sc(n2)N TS00805 [0,1,0,0,0,0|1,1,0]=3 373 B12R2.606 c1cc2c(cc1I)[nH]c(=O)[nH]2 TS29410 [0,1,0,0,0,0|2,0,1]=4 374 B12R2.606 c1cc2c(cc1N)CC(=O)N2 TS71383 [0,1,0,0,0,0|2,0,1]=4 375 B12R2.606 c1cc2c(cc1N)NC(=O)C2 TS87386 [0,1,0,0,0,0|2,0,1]=4 376 B12R2.606 c1cc2c(cc1N)[nH]c(=O)[nH]2 TS03216 [0,1,0,0,0,0|2,0,1]=4 377 B12R2.606 c1cc2c(cc1N)[nH]c(n2)S TS12052 [0,1,0,0,0,0|2,0,0]=3 378 B12R2.606 c1cc2c(cc1N)nc(s2)N TS42932 [0,1,0,0,0,0|1,1,0]=3 379 B12R2.606 c1cc2c(cc1N)oc(=O)[nH]2 TS00366 [0,1,0,0,0,0|1,0,1]=3 380 B12R2.606 c1cc2c(cc1N)oc(n2)S TS43096 [0,1,0,0,0,0|1,0,0]=2 381 B12R2.606 c1cc2c(cc1N)sc(n2)S TS15027 [0,1,0,0,0,0|1,1,0]=3 382 B12R2.606 c1cc2c(cc1O)CC(=O)N2 TS03339 [0,1,0,0,0,0|2,0,1]=4 383 B12R2.606 c1cc2c(cc1O)CC(=O)O2 TS07646 [0,1,0,0,0,0|2,0,0]=3 384 B12R2.606 c1cc2c(cc1O)NC(=O)C2 TS16297 [0,1,0,0,0,0|2,0,1]=4 385 B12R2.606 c1cc2c(cc1O)[nH]c(n2)S TS43098 [0,1,0,0,0,0|2,0,0]=3 386 B12R2.606 c1cc2c(cc1O)oc(=O)[nH]2 TS10001 [0,1,0,0,0,0|1,0,1]=3 387 B12R2.606 c1cc2c(cc1O)oc(=O)s2 TS12513 [0,1,0,0,0,0|2,0,0]=3 388 B12R2.606 c1cc2c(cc1O)sc(=O)o2 TS12515 [0,1,0,0,0,0|2,0,0]=3 389 B12R2.606 c1cc2c(cc1O)sc(n2)N TS08810 [0,1,0,0,0,0|1,1,0]=3 390 B12R2.606 c1cc2nc(cn2cc1Br)N TS21243 [0,1,0,0,0,0|3,0,0]=4 391 B12R2.606 c1cc2nc(nn2cc1Br)N TS33000 [0,1,0,0,0,0|3,0,0]=4 392 B12R2.606 c1cc2nc(nn2cc1O)N TS22753 [0,1,0,0,0,0|3,0,0]=4 393 B12R2.606 c1cn2c(cc1Br)nc(n2)N TS91265 [0,1,0,0,0,0|3,0,0]=4 394 B12R2.606 c1cn2c(cc1Cl)nc(n2)N TS85266 [0,1,0,0,0,0|3,0,0]=4 395 B12R2.606 c1cn2cc(nc2cc1Cl)Cl TS49012 [0,1,0,0,0,0|3,0,0]=4 396 B10R1.4 C=CCc1ccccc1Cl TS41221 [0,0,1,0,0,0|2,0,1]=4 397 B10R1.4 C=CCc1ccccc1O TS36846 [0,0,1,0,0,0|1,0,1]=3 398 B10R1.4 CC=Cc1ccccc1O TS36834 [0,0,1,0,0,0|1,0,0]=2 399 B10R1.4 CCCc1ccccc1C TS05927 [0,0,1,0,0,0|2,0,1]=4 400 B10R1.4 CCCc1ccccc1N TS36961 [0,0,1,0,0,0|1,0,2]=4 401 B10R1.4 CCCc1ccccc1O TS06077 [0,0,1,0,0,0|1,0,1]=3 402 B10R1.4 CCNc1ccccc1C TS06011 [0,0,1,0,0,0|1,0,2]=4 403 B10R1.4 CCNc1ccccc1F TS37294 [0,0,1,0,0,0|1,0,2]=4 404 B10R1.4 CCOc1c(cccn1)Br TS19321 [0,0,1,0,0,0|2,0,1]=4 405 B10R1.4 CCOc1c(cccn1)I TS27857 [0,0,1,0,0,0|2,0,1]=4 406 B10R1.4 CCOc1ccccc1Br TS39657 [0,0,1,0,0,0|1,0,1]=3 407 B10R1.4 CCOc1ccccc1Cl TS41727 [0,0,1,0,0,0|1,0,1]=3 408 B10R1.4 CCOc1ccccc1F TS37374 [0,0,1,0,0,0|1,0,1]=3 409 B10R1.4 CCOc1ccccc1N TS37118 [0,0,1,0,0,0|0,0,2]=3 410 B10R1.4 CCOc1ccccc1N TS45700 [0,0,1,0,0,0|0,0,2]=3 411 B10R1.4 CCOc1ccccc1O TS06253 [0,0,1,0,0,0|1,0,1]=3 412 B10R1.4 CCOc1ccccc1S TS41408 [0,0,1,0,0,0|1,0,1]=3 413 B10R1.4 CCOc1cccnc1Br TS19312 [0,0,1,0,0,0|2,0,1]=4 414 B10R1.4 CCOc1cccnc1N TS37190 [0,0,1,0,0,0|1,0,2]=4 415 B10R1.4 CCOc1ccncc1Br TS19320 [0,0,1,0,0,0|2,0,1]=4 416 B10R1.4 CCOc1ccncc1N TS37196 [0,0,1,0,0,0|1,0,2]=4 417 B10R1.4 CCOc1cnccc1Br TS38195 [0,0,1,0,0,0|2,0,1]=4 418 B10R1.4 CCSc1ccccc1Br TS49221 [0,0,1,0,0,0|1,1,1]=4 419 B10R1.4 CCSc1ccccc1O TS41412 [0,0,1,0,0,0|1,0,1]=3 420 B10R1.4 CNCc1ccccc1Cl TS56333 [0,0,1,0,0,0|3,0,0]=4 421 B10R1.4 CNCc1ccccc1O TS45699 [0,0,1,0,0,0|2,0,0]=3 422 B10R1.4 COCc1ccccc1F TS37369 [0,0,1,0,0,0|3,0,0]=4 423 B10R1.4 Cc1ccccc1CC=C TS05766 [0,0,1,0,0,0|2,0,1]=4 424 B10R1.4 Cc1ccccc1CNC TS36965 [0,0,1,0,0,0|3,0,0]=4 425 B10R1.4 Cc1ccccc1N=C=O TS16709 [0,0,1,0,0,0|2,0,1]=4 426 B10R1.4 Cc1ccccc1N=C=S TS40763 [0,0,1,0,0,0|2,0,1]=4 427 B10R1.4 Cc1ccccc1NC=O TS36923 [0,0,1,0,0,0|2,0,1]=4 428 B10R1.4 c1ccc(c(c1)C=NN)O TS06061 [0,0,1,0,0,0|3,0,0]=4 429 B10R1.4 c1ccc(c(c1)C=NO)O TS06160 [0,0,1,0,0,0|3,0,0]=4 430 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [0,0,1,0,0,0|2,0,1]=4 431 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [0,0,1,0,0,0|2,0,1]=4 432 B10R1.4 c1ccc(c(c1)N=C=O)Br TS53946 [0,0,1,0,0,0|2,0,1]=4 433 B10R1.4 c1ccc(c(c1)N=C=O)Cl TS10358 [0,0,1,0,0,0|2,0,1]=4 434 B10R1.4 c1ccc(c(c1)N=C=O)F TS37082 [0,0,1,0,0,0|2,0,1]=4 435 B10R1.4 c1ccc(c(c1)N=C=O)I TS62099 [0,0,1,0,0,0|2,0,1]=4 436 B10R1.4 c1ccc(c(c1)N=C=S)Br TS44458 [0,0,1,0,0,0|2,0,1]=4 437 B10R1.4 c1ccc(c(c1)N=C=S)Cl TS12736 [0,0,1,0,0,0|2,0,1]=4 438 B10R1.4 c1ccc(c(c1)N=C=S)F TS41282 [0,0,1,0,0,0|2,0,1]=4 439 B10R1.4 c1ccc(c(c1)NC=O)Cl TS10621 [0,0,1,0,0,0|2,0,1]=4 440 B10R1.4 c1ccc(c(c1)NC=O)O TS37102 [0,0,1,0,0,0|1,0,1]=3 441 B10R1.18 B(Cc1ccccc1)(O)O TS01380 [0,0,1,0,0,0|3,0,0]=4 442 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [0,0,1,0,0,0|2,0,0]=3 443 B10R1.18 CC(=Cc1ccccc1)C TS36699 [0,0,1,0,0,0|2,0,0]=3 444 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [0,0,1,0,0,0|2,0,1]=4 445 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [0,0,1,0,0,0|2,0,1]=4 446 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [0,0,1,0,0,0|1,0,1]=3 447 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [0,0,1,0,0,0|2,0,1]=4 448 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [0,0,1,0,0,0|2,0,1]=4 449 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [0,0,1,0,0,0|2,0,1]=4 450 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [0,0,1,0,0,0|2,0,1]=4 451 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [0,0,1,0,0,0|0,0,2]=3 452 B10R1.18 CC(=O)Nc1ccccn1 TS36993 [0,0,1,0,0,0|1,0,2]=4 453 B10R1.18 CC(=O)Nc1cccnc1 TS06049 [0,0,1,0,0,0|1,0,2]=4 454 B10R1.18 CC(=O)Nc1ccncc1 TS65112 [0,0,1,0,0,0|1,0,2]=4 455 B10R1.18 CC(=O)Oc1cccnc1 TS06165 [0,0,1,0,0,0|2,0,0]=3 456 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [0,0,1,0,0,0|1,0,1]=3 457 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [0,0,1,0,0,0|0,1,1]=3 458 B10R1.18 CC(C)Cc1ccccc1 TS74509 [0,0,1,0,0,0|2,0,1]=4 459 B10R1.18 CC(C)Nc1ccccc1 TS56404 [0,0,1,0,0,0|1,0,2]=4 460 B10R1.18 CC(C)Sc1ccccc1 TS41201 [0,0,1,0,0,0|1,1,1]=4 461 B10R1.18 CC(Cc1ccccc1)Br TS55076 [0,0,1,0,0,0|2,0,1]=4 462 B10R1.18 CC(Cc1ccccc1)N TS06010 [0,0,1,0,0,0|1,0,2]=4 463 B10R1.18 CC(Cc1ccccc1)O TS47018 [0,0,1,0,0,0|1,0,1]=3 464 B10R1.18 CN(C)Cc1ccccc1 TS06009 [0,0,1,0,0,0|3,0,0]=4 465 B10R1.18 CN(C)Cc1ccccc1 TS45394 [0,0,1,0,0,0|3,0,0]=4 466 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [0,0,1,0,0,0|2,0,1]=4 467 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [0,0,1,0,0,0|1,0,2]=4 468 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [0,0,1,0,0,0|1,0,2]=4 469 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [0,0,1,0,0,0|2,1,0]=4 470 B10R1.18 c1cc(cnc1)CC(=O)O TS94291 [0,0,1,0,0,0|3,0,0]=4 471 B10R1.18 c1cc(cnc1)CC(=O)O TS94292 [0,0,1,0,0,0|3,0,0]=4 472 B10R1.18 c1cc[n+](cc1)CC(=O)O TS13410 [0,0,1,0,0,0|3,0,0]=4 473 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [0,0,1,0,0,0|2,0,1]=4 474 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [0,0,1,0,0,0|2,0,1]=4 475 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [0,0,1,0,0,0|2,0,0]=3 476 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [0,0,1,0,0,0|2,0,0]=3 477 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [0,0,1,0,0,0|2,0,1]=4 478 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [0,0,1,0,0,0|2,0,1]=4 479 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [0,0,1,0,0,0|2,0,1]=4 480 B10R1.18 c1ccc(cc1)N=C(N)N TS53990 [0,0,1,0,0,0|2,0,0]=3 481 B10R1.18 c1ccc(cc1)NC(=N)N TS53844 [0,0,1,0,0,0|2,0,0]=3 482 B10R1.18 c1ccc(cc1)NC(=O)F TS37274 [0,0,1,0,0,0|1,0,2]=4 483 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [0,0,1,0,0,0|1,0,2]=4 484 B10R1.18 c1ccc(cc1)NC(=S)N TS41175 [0,0,1,0,0,0|1,1,1]=4 485 B10R1.18 c1ccc(cc1)OC(=O)Cl TS10789 [0,0,1,0,0,0|2,0,0]=3 486 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [0,0,1,0,0,0|1,0,1]=3 487 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45574 [0,0,1,0,0,0|2,0,0]=3 488 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45577 [0,0,1,0,0,0|2,0,0]=3 489 B10R1.18 c1ccc(cc1)OC(F)F TS06920 [0,0,1,0,0,0|2,0,1]=4 490 B10R1.18 c1ccc(cc1)OP(Cl)Cl TS17988 [0,0,1,0,0,0|3,0,0]=4 491 B10R1.18 c1ccc(cc1)SC(=S)Cl TS16100 [0,0,1,0,0,0|2,1,0]=4 492 B10R1.18 c1ccnc(c1)CC(=O)O TS02474 [0,0,1,0,0,0|3,0,0]=4 493 B10R1.18 c1cnccc1CC(=S)O TS20061 [0,0,1,0,0,0|3,0,0]=4 494 B10R2.2 Cc1nc2c(o1)CNC2 TS32611 [0,0,0,0,1,0|1,0,2]=4 495 B10R2.2 Cc1nc2c(s1)ccs2 TS41535 [0,0,0,0,1,0|1,1,0]=3 496 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [0,0,0,0,1,0|2,0,0]=3 497 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [0,0,0,0,1,0|2,0,1]=4 498 B12R2.24 C1CN2C=CC=CC2=NC1=O TS07439 [0,0,0,0,0,1|3,0,0]=4 499 B12R2.24 CC1CCc2ccccc2N1 TS59877 [0,0,0,0,0,1|1,0,2]=4 500 B12R2.24 CC1COc2ccccc2N1 TS40752 [0,0,0,0,0,1|0,0,2]=3 501 B12R2.24 CC1Cc2ccccc2CN1 TS40571 [0,0,0,0,0,1|1,0,2]=4 502 B12R2.24 Cc1cc2ccccc2cn1 TS02850 [0,0,0,0,0,1|1,0,0]=2 503 B12R2.24 Cc1cc2ccccc2nc1 TS06876 [0,0,0,0,0,1|1,0,0]=2 504 B12R2.24 Cc1ccc2c(c1)cccn2 TS01274 [0,0,0,0,0,1|3,0,0]=4 505 B12R2.24 Cc1ccc2c(n1)cccn2 TS39280 [0,0,0,0,0,1|2,0,0]=3 506 B12R2.24 Cc1ccc2ccccc2c1 TS06723 [0,0,0,0,0,1|2,0,0]=3 507 B12R2.24 Cc1ccc2ccccc2n1 TS00107 [0,0,0,0,0,1|1,0,0]=2 508 B12R2.24 Cc1ccc2ccccc2n1 TS26649 [0,0,0,0,0,1|1,0,0]=2 509 B12R2.24 Cc1ccc2ccccc2n1 TS26685 [0,0,0,0,0,1|1,0,0]=2 510 B12R2.24 Cc1ccc2cccnc2c1 TS55694 [0,0,0,0,0,1|3,0,0]=4 511 B12R2.24 Cc1ccc2cccnc2n1 TS06960 [0,0,0,0,0,1|2,0,0]=3 512 B12R2.24 Cc1ccc2cnccc2c1 TS39791 [0,0,0,0,0,1|3,0,0]=4 513 B12R2.24 Cc1cnc2ccccc2n1 TS40190 [0,0,0,0,0,1|1,0,0]=2 514 B12R2.24 Cc1nc2ccccc2nn1 TS07096 [0,0,0,0,0,1|1,0,0]=2 515 B12R2.24 c1cc(nc2c1ccnc2)Br TS43588 [0,0,0,0,0,1|3,0,0]=4 516 B12R2.24 c1cc(nc2c1ccnc2)Cl TS42831 [0,0,0,0,0,1|3,0,0]=4 517 B12R2.24 c1cc-2ccc(=O)nc2[nH]c1 TS07188 [0,0,0,0,0,1|3,0,0]=4 518 B12R2.24 c1cc2c(ccc(n2)Cl)nc1 TS87520 [0,0,0,0,0,1|3,0,0]=4 519 B12R2.24 c1cc2c(ccc(n2)N)nc1 TS60189 [0,0,0,0,0,1|3,0,0]=4 520 B12R2.24 c1cc2c(cnc(n2)Cl)nc1 TS90109 [0,0,0,0,0,1|3,0,0]=4 521 B12R2.24 c1cc2c(nc1)NC(=O)CO2 TS46411 [0,0,0,0,0,1|2,0,1]=4 522 B12R2.24 c1cc2c(nc1)ncc(n2)Cl TS00958 [0,0,0,0,0,1|3,0,0]=4 523 B12R2.24 c1cc2cc(cnc2nc1)N TS07095 [0,0,0,0,0,1|3,0,0]=4 524 B12R2.24 c1cc2ccc(nc2nc1)N TS40303 [0,0,0,0,0,1|3,0,0]=4 525 B12R2.24 c1ccc2c(c1)CC(=O)CO2 TS07410 [0,0,0,0,0,1|2,0,0]=3 526 B12R2.24 c1ccc2c(c1)CC(=O)CS2 TS11911 [0,0,0,0,0,1|2,1,0]=4 527 B12R2.24 c1ccc2c(c1)CC(=O)NC2 TS46807 [0,0,0,0,0,1|2,0,1]=4 528 B12R2.24 c1ccc2c(c1)CC(=O)OC2 TS08988 [0,0,0,0,0,1|2,0,0]=3 529 B12R2.24 c1ccc2c(c1)CC(CO2)N TS40753 [0,0,0,0,0,1|2,0,1]=4 530 B12R2.24 c1ccc2c(c1)CC(CO2)N TS48810 [0,0,0,0,0,1|2,0,1]=4 531 B12R2.24 c1ccc2c(c1)CC=C(N2)Cl TS12107 [0,0,0,0,0,1|2,0,1]=4 532 B12R2.24 c1ccc2c(c1)CCC(=O)C2 TS65651 [0,0,0,0,0,1|3,0,0]=4 533 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [0,0,0,0,0,1|2,0,1]=4 534 B12R2.24 c1ccc2c(c1)CCC(=O)O2 TS01918 [0,0,0,0,0,1|2,0,0]=3 535 B12R2.24 c1ccc2c(c1)NC(=O)CO2 TS46410 [0,0,0,0,0,1|1,0,1]=3 536 B12R2.24 c1ccc2c(c1)NC(=O)CS2 TS42929 [0,0,0,0,0,1|1,1,1]=4 537 B12R2.24 c1ccc2c(c1)NCC(=O)N2 TS32785 [0,0,0,0,0,1|2,0,1]=4 538 B12R2.24 c1ccc2c(c1)OC=C(O2)Br TS44287 [0,0,0,0,0,1|2,0,0]=3 539 B12R2.24 c1ccc2c(c1)cc(cn2)Br TS09500 [0,0,0,0,0,1|2,0,0]=3 540 B12R2.24 c1ccc2c(c1)cc(cn2)N TS02673 [0,0,0,0,0,1|2,0,0]=3 541 B12R2.24 c1ccc2c(c1)cc(cn2)O TS02804 [0,0,0,0,0,1|2,0,0]=3 542 B12R2.24 c1ccc2c(c1)ccc(=O)o2 TS07170 [0,0,0,0,0,1|2,0,0]=3 543 B12R2.24 c1ccc2c(c1)ccc(n2)Br TS00867 [0,0,0,0,0,1|2,0,0]=3 544 B12R2.24 c1ccc2c(c1)ccc(n2)Cl TS00965 [0,0,0,0,0,1|2,0,0]=3 545 B12R2.24 c1ccc2c(c1)ccc(n2)I TS28720 [0,0,0,0,0,1|2,0,0]=3 546 B12R2.24 c1ccc2c(c1)ccc(n2)N TS55047 [0,0,0,0,0,1|2,0,0]=3 547 B12R2.24 c1ccc2c(c1)ccc(n2)O TS07083 [0,0,0,0,0,1|2,0,0]=3 548 B12R2.24 c1ccc2c(c1)ccc(n2)O TS94826 [0,0,0,0,0,1|2,0,0]=3 549 B12R2.24 c1ccc2c(c1)ccc(n2)S TS11438 [0,0,0,0,0,1|2,0,0]=3 550 B12R2.24 c1ccc2c(c1)cnc(n2)Cl TS00964 [0,0,0,0,0,1|2,0,0]=3 551 B12R2.24 c1ccc2c(c1)cnc(n2)N TS00825 [0,0,0,0,0,1|2,0,0]=3 552 B12R2.24 c1ccc2c(c1)ncc(n2)Br TS55171 [0,0,0,0,0,1|2,0,0]=3 553 B12R2.24 c1ccc2c(c1)ncc(n2)Cl TS39269 [0,0,0,0,0,1|2,0,0]=3 554 B12R2.24 c1ccc2c(c1)ncc(n2)N TS40308 [0,0,0,0,0,1|2,0,0]=3 555 B12R2.24 c1ccc2c(c1)ncc(n2)O TS07193 [0,0,0,0,0,1|2,0,0]=3 556 B12R2.24 c1ccc2c(c1)ncc(n2)S TS42478 [0,0,0,0,0,1|2,0,0]=3 557 B12R2.24 c1ccc2cc(ccc2c1)Br TS00852 [0,0,0,0,0,1|3,0,0]=4 558 B12R2.24 c1ccc2cc(ccc2c1)Cl TS11632 [0,0,0,0,0,1|3,0,0]=4 559 B12R2.24 c1ccc2cc(ccc2c1)F TS40407 [0,0,0,0,0,1|3,0,0]=4 560 B12R2.24 c1ccc2cc(ccc2c1)I TS63321 [0,0,0,0,0,1|3,0,0]=4 561 B12R2.24 c1ccc2cc(ccc2c1)N TS00813 [0,0,0,0,0,1|3,0,0]=4 562 B12R2.24 c1ccc2cc(ccc2c1)O TS39906 [0,0,0,0,0,1|3,0,0]=4 563 B12R2.24 c1ccc2cc(ccc2c1)S TS11296 [0,0,0,0,0,1|3,0,0]=4 564 B12R2.24 c1ccc2cnc(cc2c1)Br TS65951 [0,0,0,0,0,1|2,0,0]=3 565 B12R2.24 c1ccc2cnc(cc2c1)Cl TS02718 [0,0,0,0,0,1|2,0,0]=3 566 B12R2.24 c1ccc2cnc(cc2c1)Cl TS40291 [0,0,0,0,0,1|2,0,0]=3 567 B12R2.24 c1ccc2cnc(cc2c1)N TS40187 [0,0,0,0,0,1|2,0,0]=3 568 B12R2.24 c1ccc2cnc(cc2c1)O TS70624 [0,0,0,0,0,1|2,0,0]=3 569 B12R2.24 c1cncc2c1cnc(n2)Cl TS85807 [0,0,0,0,0,1|3,0,0]=4 570 B9R1.8 C=CCc1ccccc1 TS32347 [1,0,1,0,0,0|1,0,1]=4 571 B9R1.8 C=CSc1ccccc1 TS06113 [1,0,1,0,0,0|0,1,1]=4 572 B9R1.8 CC#Cc1ccccc1 TS04599 [1,0,1,0,0,0|1,0,1]=4 573 B9R1.8 CC=Cc1ccccc1 TS32346 [1,0,1,0,0,0|1,0,0]=3 574 B9R1.8 CCCc1ccccc1 TS04832 [1,0,1,0,0,0|1,0,1]=4 575 B9R1.8 CCNc1ccccc1 TS04869 [1,0,1,0,0,0|0,0,2]=4 576 B9R1.8 CCOc1ccccc1 TS04896 [1,0,1,0,0,0|0,0,1]=3 577 B9R1.8 CCOc1ccccn1 TS55309 [1,0,1,0,0,0|1,0,1]=4 578 B9R1.8 CCOc1ccncc1 TS04974 [1,0,1,0,0,0|1,0,1]=4 579 B9R1.8 CCSc1ccccc1 TS06299 [1,0,1,0,0,0|0,1,1]=4 580 B9R1.8 CNCc1ccccc1 TS01938 [1,0,1,0,0,0|2,0,0]=4 581 B9R1.8 CNNc1ccccc1 TS85406 [1,0,1,0,0,0|1,0,1]=4 582 B9R1.8 COCc1ccccc1 TS04897 [1,0,1,0,0,0|2,0,0]=4 583 B9R1.8 CSCc1ccccc1 TS06309 [1,0,1,0,0,0|2,0,0]=4 584 B9R1.8 CSSc1ccccc1 TS41708 [1,0,1,0,0,0|1,1,0]=4 585 B9R1.8 c1ccc(cc1)C=CBr TS48378 [1,0,1,0,0,0|2,0,0]=4 586 B9R1.8 c1ccc(cc1)C=CCl TS37253 [1,0,1,0,0,0|2,0,0]=4 587 B9R1.8 c1ccc(cc1)C=CN TS55760 [1,0,1,0,0,0|1,0,1]=4 588 B9R1.8 c1ccc(cc1)CCO TS04901 [1,0,1,0,0,0|1,0,1]=4 589 B9R1.8 c1ccc(cc1)CNO TS01934 [1,0,1,0,0,0|2,0,0]=4 590 B9R1.8 c1ccc(cc1)CNO TS93618 [1,0,1,0,0,0|2,0,0]=4 591 B9R1.8 c1ccc(cc1)N=C=O TS32396 [1,0,1,0,0,0|0,0,2]=4 592 B9R1.8 c1ccc(cc1)N=C=S TS06000 [1,0,1,0,0,0|0,1,1]=4 593 B9R1.8 c1ccc(cc1)N=[N+]=[N-] TS04781 [1,0,1,0,0,0|2,0,0]=4 594 B9R1.8 c1ccc(cc1)NC=O TS04863 [1,0,1,0,0,0|0,0,2]=4 595 B9R1.8 c1ccc(cc1)OC#N TS32392 [1,0,1,0,0,0|0,0,2]=4 596 B9R1.8 c1ccc(cc1)OC=O TS32488 [1,0,1,0,0,0|1,0,0]=3 597 B9R1.15 C#Cc1ccccc1O TS55318 [1,0,1,0,0,0|0,0,2]=4 598 B9R1.15 C=Cc1ccccc1Br TS55173 [1,0,1,0,0,0|1,0,1]=4 599 B9R1.15 C=Cc1ccccc1Cl TS00968 [1,0,1,0,0,0|1,0,1]=4 600 B9R1.15 C=Cc1ccccc1F TS32504 [1,0,1,0,0,0|1,0,1]=4 601 B9R1.15 C=Cc1ccccc1I TS24807 [1,0,1,0,0,0|1,0,1]=4 602 B9R1.15 CCc1ccccc1Br TS15420 [1,0,1,0,0,0|1,0,1]=4 603 B9R1.15 CCc1ccccc1C TS16337 [1,0,1,0,0,0|1,0,1]=4 604 B9R1.15 CCc1ccccc1Cl TS37450 [1,0,1,0,0,0|1,0,1]=4 605 B9R1.15 CCc1ccccc1I TS25157 [1,0,1,0,0,0|1,0,1]=4 606 B9R1.15 CCc1ccccc1N TS32474 [1,0,1,0,0,0|0,0,2]=4 607 B9R1.15 CCc1ccccc1O TS04900 [1,0,1,0,0,0|0,0,1]=3 608 B9R1.15 CCc1ccccc1S TS06304 [1,0,1,0,0,0|0,1,1]=4 609 B9R1.15 CNc1ccccc1Cl TS37531 [1,0,1,0,0,0|1,0,1]=4 610 B9R1.15 CNc1ccccc1F TS56413 [1,0,1,0,0,0|1,0,1]=4 611 B9R1.15 CNc1ccccc1N TS01587 [1,0,1,0,0,0|1,0,1]=4 612 B9R1.15 CNc1ccccc1N TS41998 [1,0,1,0,0,0|1,0,1]=4 613 B9R1.15 CNc1ccccc1N TS60152 [1,0,1,0,0,0|1,0,1]=4 614 B9R1.15 CNc1ccccc1O TS04968 [1,0,1,0,0,0|0,0,1]=3 615 B9R1.15 COc1c(cccn1)Br TS65905 [1,0,1,0,0,0|2,0,0]=4 616 B9R1.15 COc1c(cccn1)Cl TS65976 [1,0,1,0,0,0|2,0,0]=4 617 B9R1.15 COc1c(cccn1)F TS36212 [1,0,1,0,0,0|2,0,0]=4 618 B9R1.15 COc1c(cccn1)I TS02808 [1,0,1,0,0,0|2,0,0]=4 619 B9R1.15 COc1c(cccn1)N TS02635 [1,0,1,0,0,0|1,0,1]=4 620 B9R1.15 COc1ccccc1Br TS00023 [1,0,1,0,0,0|1,0,0]=3 621 B9R1.15 COc1ccccc1Cl TS37688 [1,0,1,0,0,0|1,0,0]=3 622 B9R1.15 COc1ccccc1F TS60288 [1,0,1,0,0,0|1,0,0]=3 623 B9R1.15 COc1ccccc1I TS09308 [1,0,1,0,0,0|1,0,0]=3 624 B9R1.15 COc1ccccc1N TS29238 [1,0,1,0,0,0|0,0,1]=3 625 B9R1.15 COc1ccccc1N TS59329 [1,0,1,0,0,0|0,0,1]=3 626 B9R1.15 COc1ccccc1P TS06425 [1,0,1,0,0,0|0,1,0]=3 627 B9R1.15 COc1ccccc1S TS37393 [1,0,1,0,0,0|1,0,0]=3 628 B9R1.15 COc1ccccc1[Zn+] TS74540 [1,0,1,0,0,0|1,0,0]=3 629 B9R1.15 COc1cccnc1Br TS08305 [1,0,1,0,0,0|2,0,0]=4 630 B9R1.15 COc1cccnc1Cl TS55198 [1,0,1,0,0,0|2,0,0]=4 631 B9R1.15 COc1cccnc1I TS25665 [1,0,1,0,0,0|2,0,0]=4 632 B9R1.15 COc1cccnc1N TS47373 [1,0,1,0,0,0|1,0,1]=4 633 B9R1.15 COc1cccnc1O TS55383 [1,0,1,0,0,0|2,0,0]=4 634 B9R1.15 COc1ccncc1Br TS09454 [1,0,1,0,0,0|2,0,0]=4 635 B9R1.15 COc1ccncc1I TS02810 [1,0,1,0,0,0|2,0,0]=4 636 B9R1.15 COc1ccncc1N TS65861 [1,0,1,0,0,0|1,0,1]=4 637 B9R1.15 CSc1ccccc1Br TS19526 [1,0,1,0,0,0|1,1,0]=4 638 B9R1.15 CSc1ccccc1Cl TS42002 [1,0,1,0,0,0|1,1,0]=4 639 B9R1.15 CSc1ccccc1F TS06689 [1,0,1,0,0,0|1,1,0]=4 640 B9R1.15 CSc1ccccc1I TS27990 [1,0,1,0,0,0|1,1,0]=4 641 B9R1.15 CSc1ccccc1O TS37395 [1,0,1,0,0,0|1,0,0]=3 642 B9R1.15 CSc1ccccc1[Zn+] TS76795 [1,0,1,0,0,0|1,1,0]=4 643 B9R1.15 Cc1c(cccn1)OC TS04964 [1,0,1,0,0,0|2,0,0]=4 644 B9R1.15 Cc1ccccc1C=C TS02453 [1,0,1,0,0,0|1,0,1]=4 645 B9R1.15 Cc1ccccc1C=O TS04808 [1,0,1,0,0,0|2,0,0]=4 646 B9R1.15 Cc1ccccc1NC TS32471 [1,0,1,0,0,0|1,0,1]=4 647 B9R1.15 Cc1ccccc1OC TS32508 [1,0,1,0,0,0|1,0,0]=3 648 B9R1.15 Cc1cccnc1OC TS04965 [1,0,1,0,0,0|2,0,0]=4 649 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [1,0,1,0,0,0|2,0,0]=4 650 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [1,0,1,0,0,0|2,0,0]=4 651 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [1,0,1,0,0,0|1,0,1]=4 652 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [1,0,1,0,0,0|2,0,0]=4 653 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [1,0,1,0,0,0|2,0,0]=4 654 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [1,0,1,0,0,0|2,0,0]=4 655 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [1,0,1,0,0,0|2,0,0]=4 656 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [1,0,1,0,0,0|1,0,1]=4 657 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [1,0,1,0,0,0|1,0,1]=4 658 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [1,0,1,0,0,0|1,0,0]=3 659 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [1,0,1,0,0,0|1,0,1]=4 660 B9R1.15 c1ccc(c(c1)CN)O TS04954 [1,0,1,0,0,0|1,0,1]=4 661 B9R1.15 c1ccc(c(c1)CO)O TS32604 [1,0,1,0,0,0|1,0,1]=4 662 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [1,0,1,0,0,0|2,0,0]=4 663 B9R1.15 c1cncc(c1C=O)O TS02800 [1,0,1,0,0,0|2,0,0]=4 664 B9R1.12 c1cc(oc1)C=CC=O TS32492 [1,0,1,0,0,0|2,0,0]=4 665 B9R1.22 Cc1c(nc(o1)C)C=O TS05078 [1,0,1,0,0,0|1,0,1]=4 666 B9R1.22 Cc1c(oc(n1)C)C=O TS05081 [1,0,1,0,0,0|1,0,1]=4 667 B11R1.13 C=CCc1cccc(c1O)Cl TS44953 [0,1,1,0,0,0|1,0,1]=4 668 B11R1.13 CCOc1cccc(c1F)F TS59507 [0,1,1,0,0,0|1,0,1]=4 669 B11R1.13 Cc1cccc(c1O)CC=C TS07465 [0,1,1,0,0,0|1,0,1]=4 670 B11R1.17 C=CCOc1ccccc1Cl TS44954 [0,1,1,0,0,0|1,0,1]=4 671 B11R1.17 C=CCOc1ccccc1O TS09860 [0,1,1,0,0,0|1,0,1]=4 672 B11R1.17 Cc1ccccc1OCCBr TS08141 [0,1,1,0,0,0|1,0,1]=4 673 B11R1.17 c1ccc(c(c1)C=CC=O)O TS07424 [0,1,1,0,0,0|1,0,1]=4 674 B11R1.17 c1ccc(c(c1)CCCN)O TS10076 [0,1,1,0,0,0|1,0,1]=4 675 B11R1.17 c1ccc(c(c1)O)OCCO TS08221 [0,1,1,0,0,0|1,0,1]=4 676 B11R1.17 c1ccc(c(c1)OCCBr)Br TS54290 [0,1,1,0,0,0|1,0,1]=4 677 B11R1.17 c1ccc(c(c1)OCCBr)Cl TS25797 [0,1,1,0,0,0|1,0,1]=4 678 B11R1.17 c1ccc(c(c1)OCCBr)F TS22535 [0,1,1,0,0,0|1,0,1]=4 679 B11R1.17 c1ccc(c(c1)OCCCl)Br TS25794 [0,1,1,0,0,0|1,0,1]=4 680 B11R1.17 c1ccc(c(c1)OCCN)Cl TS45380 [0,1,1,0,0,0|1,0,1]=4 681 B11R1.17 c1ccc(c(c1)OCCO)Cl TS45566 [0,1,1,0,0,0|1,0,1]=4 682 B11R1.41 C=CCc1ccccc1CO TS07463 [0,1,1,0,0,0|1,0,1]=4 683 B11R1.41 CCOc1ccccc1C#N TS65044 [0,1,1,0,0,0|0,0,2]=4 684 B11R1.41 CCOc1ccccc1C=O TS40864 [0,1,1,0,0,0|1,0,1]=4 685 B11R1.41 CCOc1ccccc1CN TS41033 [0,1,1,0,0,0|0,0,2]=4 686 B11R1.41 CCOc1ccccc1CO TS10180 [0,1,1,0,0,0|1,0,1]=4 687 B11R1.41 CCOc1ccccc1C[Zn+] TS25823 [0,1,1,0,0,0|1,0,1]=4 688 B11R1.41 CCOc1ccccc1OC TS41144 [0,1,1,0,0,0|1,0,1]=4 689 B11R1.41 CNCc1ccccc1OC TS10080 [0,1,1,0,0,0|2,0,0]=4 690 B11R1.41 COc1ccccc1CC=C TS07469 [0,1,1,0,0,0|1,0,1]=4 691 B11R1.41 COc1ccccc1N=C=O TS40721 [0,1,1,0,0,0|1,0,1]=4 692 B11R1.41 COc1ccccc1N=C=S TS42928 [0,1,1,0,0,0|1,0,1]=4 693 B11R1.81 CCCc1ccc(cc1O)O TS41141 [0,1,1,0,0,0|1,0,1]=4 694 B11R1.81 CCOc1ccc(cc1Cl)Cl TS51227 [0,1,1,0,0,0|1,0,1]=4 695 B11R1.81 CCOc1ccc(cc1Cl)F TS13586 [0,1,1,0,0,0|1,0,1]=4 696 B11R1.81 CCOc1ccc(cc1F)Cl TS13602 [0,1,1,0,0,0|1,0,1]=4 697 B11R1.81 CCOc1ccc(cc1N)N TS62845 [0,1,1,0,0,0|0,0,2]=4 698 B11R1.86 CC(=O)Cc1ccccc1Br TS21452 [0,1,1,0,0,0|2,0,0]=4 699 B11R1.86 CC(=O)Cc1ccccc1Cl TS44948 [0,1,1,0,0,0|2,0,0]=4 700 B11R1.86 CC(=O)Cc1ccccc1F TS10163 [0,1,1,0,0,0|2,0,0]=4 701 B11R1.86 CC(=O)Nc1c(cccn1)O TS10151 [0,1,1,0,0,0|1,0,1]=4 702 B11R1.86 CC(=O)Nc1ccccc1Br TS44445 [0,1,1,0,0,0|1,0,1]=4 703 B11R1.86 CC(=O)Nc1ccccc1Cl TS12723 [0,1,1,0,0,0|1,0,1]=4 704 B11R1.86 CC(=O)Nc1ccccc1F TS10312 [0,1,1,0,0,0|1,0,1]=4 705 B11R1.86 CC(=O)Nc1ccccc1I TS29620 [0,1,1,0,0,0|1,0,1]=4 706 B11R1.86 CC(=O)Nc1ccccc1N TS09894 [0,1,1,0,0,0|1,0,1]=4 707 B11R1.86 CC(=O)Nc1ccccc1O TS10026 [0,1,1,0,0,0|0,0,1]=3 708 B11R1.86 CC(=O)Oc1ccc[nH]c1=O TS41242 [0,1,1,0,0,0|2,0,0]=4 709 B11R1.86 CC(=O)Oc1ccccc1Cl TS12917 [0,1,1,0,0,0|1,0,0]=3 710 B11R1.86 CC(=O)Oc1ccccc1F TS41353 [0,1,1,0,0,0|1,0,0]=3 711 B11R1.86 CC(C)Cc1ccccc1O TS40918 [0,1,1,0,0,0|1,0,1]=4 712 B11R1.86 CC(C)Oc1ccccc1Br TS21828 [0,1,1,0,0,0|1,0,1]=4 713 B11R1.86 CC(C)Oc1ccccc1O TS10184 [0,1,1,0,0,0|1,0,1]=4 714 B11R1.86 Cc1ccccc1CC(=O)C TS40648 [0,1,1,0,0,0|2,0,0]=4 715 B11R1.86 Cc1ccccc1NC(=O)C TS40760 [0,1,1,0,0,0|1,0,1]=4 716 B11R1.86 c1ccc(c(c1)CC(=O)O)O TS07851 [0,1,1,0,0,0|2,0,0]=4 717 B11R1.182 C=CCc1cc(ccc1O)Cl TS44950 [0,1,1,0,0,0|1,0,1]=4 718 B11R1.182 CCOc1cc(ccc1Br)N TS28395 [0,1,1,0,0,0|1,0,1]=4 719 B11R1.182 CCOc1cc(ccc1Cl)F TS13585 [0,1,1,0,0,0|1,0,1]=4 720 B11R1.182 CCOc1cc(ccc1F)Cl TS13597 [0,1,1,0,0,0|1,0,1]=4 721 B11R1.182 CCOc1cc(ccc1N)F TS51362 [0,1,1,0,0,0|0,0,2]=4 722 B11R1.182 CCOc1cc(ccc1O)C TS10189 [0,1,1,0,0,0|1,0,1]=4 723 B11R1.182 Cc1ccc(c(c1)CSC)O TS12580 [0,1,1,0,0,0|2,0,0]=4 724 B11R1.222 CCC(=O)c1ccccc1O TS09859 [0,1,1,0,0,0|1,0,1]=4 725 B11R1.222 CCC(C)c1ccccc1O TS40906 [0,1,1,0,0,0|1,0,1]=4 726 B11R1.222 CNC(=O)c1ccccc1O TS41017 [0,1,1,0,0,0|2,0,0]=4 727 B11R1.222 COC(=O)c1ccccc1O TS10129 [0,1,1,0,0,0|2,0,0]=4 728 B11R1.605 CCCc1c(cccc1O)O TS41152 [0,1,1,0,0,0|1,0,1]=4 729 B11R1.75 Cc1ccc(o1)C=CC(=O)O TS10135 [0,1,1,0,0,0|2,0,0]=4 730 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [0,1,1,0,0,0|1,0,1]=4 731 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [0,1,1,0,0,0|1,0,1]=4 732 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [0,1,1,0,0,0|1,0,1]=4 733 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [0,1,1,0,0,0|1,0,1]=4 734 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [0,1,1,0,0,0|0,0,1]=3 735 B11R1.20 CC(=O)Nc1ccc(cc1)Br TS44451 [0,1,1,0,0,0|0,0,2]=4 736 B11R1.20 CC(=O)Nc1ccc(cc1)Cl TS12726 [0,1,1,0,0,0|0,0,2]=4 737 B11R1.20 CC(=O)Nc1ccc(cc1)F TS41260 [0,1,1,0,0,0|0,0,2]=4 738 B11R1.20 CC(=O)Nc1ccc(cc1)I TS29619 [0,1,1,0,0,0|0,0,2]=4 739 B11R1.20 CC(=O)Nc1ccc(cc1)N TS40870 [0,1,1,0,0,0|0,0,2]=4 740 B11R1.20 CC(=O)Nc1ccc(cc1)O TS40999 [0,1,1,0,0,0|0,0,2]=4 741 B11R1.20 CC(=O)Nc1ccc(cc1)S TS12415 [0,1,1,0,0,0|0,0,2]=4 742 B11R1.20 CC(=O)Oc1ccc(cc1)Br TS44631 [0,1,1,0,0,0|1,0,0]=3 743 B11R1.20 CC(=O)Oc1ccc(cc1)Cl TS09682 [0,1,1,0,0,0|1,0,0]=3 744 B11R1.20 CC(=O)Oc1ccc(cc1)F TS41350 [0,1,1,0,0,0|1,0,0]=3 745 B11R1.20 CC(C)Oc1ccc(cc1)N TS10070 [0,1,1,0,0,0|1,0,1]=4 746 B11R1.20 CC(C)Oc1ccc(cc1)N TS50642 [0,1,1,0,0,0|1,0,1]=4 747 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [0,1,1,0,0,0|1,0,1]=4 748 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [0,1,1,0,0,0|2,0,0]=4 749 B11R1.20 Cc1ccc(cc1)CC(=S)O TS15009 [0,1,1,0,0,0|2,0,0]=4 750 B11R1.20 Cc1ccc(cc1)NC(=N)N TS07577 [0,1,1,0,0,0|2,0,0]=4 751 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [0,1,1,0,0,0|0,0,2]=4 752 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [0,1,1,0,0,0|1,0,0]=3 753 B11R1.20 Cc1ccc(cc1)OC(=O)Cl TS12926 [0,1,1,0,0,0|2,0,0]=4 754 B11R1.20 Cc1ccc(cc1)OC(=S)Cl TS15735 [0,1,1,0,0,0|2,0,0]=4 755 B11R1.20 c1cc(ccc1CC(=N)N)Br TS21455 [0,1,1,0,0,0|2,0,0]=4 756 B11R1.20 c1cc(ccc1CC(=N)N)Cl TS00227 [0,1,1,0,0,0|2,0,0]=4 757 B11R1.20 c1cc(ccc1CC(=O)O)Br TS71002 [0,1,1,0,0,0|2,0,0]=4 758 B11R1.20 c1cc(ccc1CC(=O)O)Cl TS16663 [0,1,1,0,0,0|2,0,0]=4 759 B11R1.20 c1cc(ccc1CC(=O)O)F TS01853 [0,1,1,0,0,0|2,0,0]=4 760 B11R1.20 c1cc(ccc1CC(=O)O)I TS29739 [0,1,1,0,0,0|2,0,0]=4 761 B11R1.20 c1cc(ccc1CC(=O)O)N TS39550 [0,1,1,0,0,0|2,0,0]=4 762 B11R1.20 c1cc(ccc1CC(=O)O)O TS03131 [0,1,1,0,0,0|2,0,0]=4 763 B11R1.20 c1cc(ccc1CC(=O)O)S TS44884 [0,1,1,0,0,0|2,0,0]=4 764 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS12732 [0,1,1,0,0,0|2,0,0]=4 765 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS20099 [0,1,1,0,0,0|2,0,0]=4 766 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS69287 [0,1,1,0,0,0|2,0,0]=4 767 B11R1.20 c1cc(ccc1NC(=N)N)F TS41264 [0,1,1,0,0,0|2,0,0]=4 768 B11R1.20 c1cc(ccc1OC(=O)Cl)Br TS25785 [0,1,1,0,0,0|2,0,0]=4 769 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl TS65131 [0,1,1,0,0,0|2,0,0]=4 770 B11R1.20 c1cc(ccc1OC(=O)Cl)F TS45861 [0,1,1,0,0,0|2,0,0]=4 771 B11R1.20 c1cc(ccc1OC(=S)Cl)Cl TS20311 [0,1,1,0,0,0|2,0,0]=4 772 B11R1.20 c1cc(ccc1OC(=S)Cl)F TS17194 [0,1,1,0,0,0|2,0,0]=4 773 B11R1.36 C=C(c1ccccc1)C(=O)O TS59983 [0,1,1,0,0,0|2,0,0]=4 774 B11R1.36 CC(=C)C(c1ccccc1)O TS07470 [0,1,1,0,0,0|2,0,0]=4 775 B11R1.36 CC(=O)C(=O)c1ccccc1 TS00506 [0,1,1,0,0,0|1,0,1]=4 776 B11R1.36 CC(=O)C(c1ccccc1)Br TS60203 [0,1,1,0,0,0|1,0,1]=4 777 B11R1.36 CC(=O)C(c1ccccc1)N TS46844 [0,1,1,0,0,0|1,0,1]=4 778 B11R1.36 CC(c1ccccc1)C(=O)O TS65642 [0,1,1,0,0,0|2,0,0]=4 779 B11R1.36 C[C@@H](c1ccccc1)C(=O)O TS22970 [0,1,1,0,0,0|2,0,0]=4 780 B11R1.36 C[C@H](c1ccccc1)C(=O)O TS22963 [0,1,1,0,0,0|2,0,0]=4 781 B11R1.36 c1ccc(cc1)C(=O)C(=O)O TS07652 [0,1,1,0,0,0|2,0,0]=4 782 B11R1.36 c1ccc(cc1)C(C(=O)O)Br TS40041 [0,1,1,0,0,0|2,0,0]=4 783 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl TS12921 [0,1,1,0,0,0|2,0,0]=4 784 B11R1.36 c1ccc(cc1)C(C(=O)O)F TS41345 [0,1,1,0,0,0|2,0,0]=4 785 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10137 [0,1,1,0,0,0|2,0,0]=4 786 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10144 [0,1,1,0,0,0|2,0,0]=4 787 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS35517 [0,1,1,0,0,0|2,0,0]=4 788 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)Br TS44638 [0,1,1,0,0,0|2,0,0]=4 789 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N TS01533 [0,1,1,0,0,0|2,0,0]=4 790 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O TS46637 [0,1,1,0,0,0|2,0,0]=4 791 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N TS33222 [0,1,1,0,0,0|2,0,0]=4 792 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O TS93945 [0,1,1,0,0,0|2,0,0]=4 793 B11R1.40 C=CC(=O)Oc1ccccc1 TS07421 [0,1,1,0,0,0|1,0,1]=4 794 B11R1.40 CC(=Cc1ccccc1)C=O TS07231 [0,1,1,0,0,0|1,0,1]=4 795 B11R1.40 CC(=Cc1ccccc1)CO TS40644 [0,1,1,0,0,0|1,0,0]=3 796 B11R1.40 CC(=NO)Cc1ccccc1 TS40745 [0,1,1,0,0,0|1,0,0]=3 797 B11R1.40 CC(CO)Oc1ccccc1 TS41133 [0,1,1,0,0,0|1,0,1]=4 798 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [0,1,1,0,0,0|2,0,0]=4 799 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [0,1,1,0,0,0|1,0,1]=4 800 B11R1.40 CCC(=O)Nc1ccccc1 TS29506 [0,1,1,0,0,0|0,0,2]=4 801 B11R1.40 CCC(Cc1ccccc1)O TS00513 [0,1,1,0,0,0|1,0,1]=4 802 B11R1.40 CN(Cc1ccccc1)N=O TS09887 [0,1,1,0,0,0|2,0,0]=4 803 B11R1.40 CNC(=O)Nc1ccccc1 TS09898 [0,1,1,0,0,0|0,0,2]=4 804 B11R1.40 CNC(=S)Nc1ccccc1 TS12286 [0,1,1,0,0,0|0,1,1]=4 805 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [0,1,1,0,0,0|1,0,1]=4 806 B11R1.40 COC(=O)Nc1ccccc1 TS41003 [0,1,1,0,0,0|0,0,2]=4 807 B11R1.40 c1ccc(cc1)CC(=O)CCl TS44955 [0,1,1,0,0,0|1,0,1]=4 808 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [0,1,1,0,0,0|2,0,0]=4 809 B11R1.40 c1ccc(cc1)NC(=O)CCl TS12724 [0,1,1,0,0,0|0,0,2]=4 810 B11R1.40 c1ccc(cc1)NC(=O)CS TS12417 [0,1,1,0,0,0|0,0,2]=4 811 B11R1.40 c1ccc(cc1)OC(=O)CBr TS44644 [0,1,1,0,0,0|1,0,0]=3 812 B11R1.40 c1ccc(cc1)OC(=O)CCl TS12932 [0,1,1,0,0,0|1,0,0]=3 813 B11R1.157 CC(=O)Cc1cccc(c1)Br TS21446 [0,1,1,0,0,0|1,0,1]=4 814 B11R1.157 CC(=O)Cc1cccc(c1)Cl TS12621 [0,1,1,0,0,0|1,0,1]=4 815 B11R1.157 CC(=O)Cc1cccc(c1)F TS10165 [0,1,1,0,0,0|1,0,1]=4 816 B11R1.157 CC(=O)Cc1cccc(c1)O TS40855 [0,1,1,0,0,0|1,0,1]=4 817 B11R1.157 CC(=O)Nc1cccc(c1)Br TS44446 [0,1,1,0,0,0|0,0,2]=4 818 B11R1.157 CC(=O)Nc1cccc(c1)Cl TS12719 [0,1,1,0,0,0|0,0,2]=4 819 B11R1.157 CC(=O)Nc1cccc(c1)F TS10311 [0,1,1,0,0,0|0,0,2]=4 820 B11R1.157 CC(=O)Nc1cccc(c1)N TS09891 [0,1,1,0,0,0|0,0,2]=4 821 B11R1.157 CC(=O)Nc1cccc(c1)N TS15731 [0,1,1,0,0,0|0,0,2]=4 822 B11R1.157 CC(=O)Oc1cccc(c1)F TS41348 [0,1,1,0,0,0|1,0,0]=3 823 B11R1.157 CC(=O)Oc1cccc(c1)O TS10124 [0,1,1,0,0,0|1,0,0]=3 824 B11R1.157 CC(C)Oc1cccc(c1)Br TS46927 [0,1,1,0,0,0|1,0,1]=4 825 B11R1.157 CC(C)Oc1cccc(c1)F TS41381 [0,1,1,0,0,0|1,0,1]=4 826 B11R1.157 CC(C)Oc1cccc(c1)N TS10079 [0,1,1,0,0,0|1,0,1]=4 827 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [0,1,1,0,0,0|1,0,1]=4 828 B11R1.157 Cc1cccc(c1)CC(=O)O TS40851 [0,1,1,0,0,0|2,0,0]=4 829 B11R1.157 Cc1cccc(c1)NC(=O)C TS40761 [0,1,1,0,0,0|0,0,2]=4 830 B11R1.157 Cc1cccc(c1)OC(=O)C TS40850 [0,1,1,0,0,0|1,0,0]=3 831 B11R1.157 Cc1cccc(c1)OC(=O)Cl TS12924 [0,1,1,0,0,0|2,0,0]=4 832 B11R1.157 c1cc(cc(c1)Br)CC(=O)O TS65959 [0,1,1,0,0,0|2,0,0]=4 833 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O TS02722 [0,1,1,0,0,0|2,0,0]=4 834 B11R1.157 c1cc(cc(c1)F)CC(=O)O TS01567 [0,1,1,0,0,0|2,0,0]=4 835 B11R1.157 c1cc(cc(c1)I)CC(=O)O TS70632 [0,1,1,0,0,0|2,0,0]=4 836 B11R1.157 c1cc(cc(c1)N)CC(=O)O TS65876 [0,1,1,0,0,0|2,0,0]=4 837 B11R1.157 c1cc(cc(c1)O)CC(=O)O TS02792 [0,1,1,0,0,0|2,0,0]=4 838 B11R1.509 CC(C)(C)Oc1ccccc1 TS40911 [0,1,1,0,0,0|1,0,1]=4 839 B11R1.509 CC(C)(Cc1ccccc1)O TS40900 [0,1,1,0,0,0|1,0,1]=4 840 B11R1.509 CS(=O)(=O)Oc1ccccc1 TS45452 [0,1,1,0,0,0|2,0,0]=4 841 B11R1.509 C[Si](C)(C)Oc1ccccc1 TS43142 [0,1,1,0,0,0|1,1,0]=4 842 B11R2.1 CC1C=Cc2c1cccc2 TS36509 [1,1,0,0,0,0|2,0,0]=4 843 B11R2.1 Cc1c2ccccc2on1 TS36752 [1,1,0,0,0,0|2,0,0]=4 844 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [1,1,0,0,0,0|1,0,1]=4 845 B11R2.1 Cc1coc2c1cccc2 TS36667 [1,1,0,0,0,0|1,0,0]=3 846 B11R2.1 Cc1csc2c1cccc2 TS07495 [1,1,0,0,0,0|1,1,0]=4 847 B11R2.1 Cn1c2ccccc2nn1 TS01810 [1,1,0,0,0,0|2,0,0]=4 848 B11R2.1 Cn1ccc2c1cccc2 TS00492 [1,1,0,0,0,0|1,0,1]=4 849 B11R2.1 Cn1cnc2c1cccc2 TS36688 [1,1,0,0,0,0|1,0,0]=3 850 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [1,1,0,0,0,0|1,0,1]=4 851 B11R2.1 c1ccc2c(c1)C(CO2)N TS05988 [1,1,0,0,0,0|1,0,1]=4 852 B11R2.1 c1ccc2c(c1)C(CO2)N TS45384 [1,1,0,0,0,0|1,0,1]=4 853 B11R2.1 c1ccc2c(c1)CC=C2Br TS51953 [1,1,0,0,0,0|2,0,0]=4 854 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br TS65948 [1,1,0,0,0,0|1,0,1]=4 855 B11R2.1 c1ccc2c(c1)c(c[nH]2)F TS05986 [1,1,0,0,0,0|1,0,1]=4 856 B11R2.1 c1ccc2c(c1)c(c[nH]2)I TS26960 [1,1,0,0,0,0|1,0,1]=4 857 B11R2.1 c1ccc2c(c1)c(c[nH]2)O TS70623 [1,1,0,0,0,0|1,0,1]=4 858 B11R2.1 c1ccc2c(c1)c(co2)Br TS18385 [1,1,0,0,0,0|1,0,0]=3 859 B11R2.1 c1ccc2c(c1)c(cs2)Br TS65900 [1,1,0,0,0,0|1,1,0]=4 860 B11R2.1 c1ccc2c(c1)c(cs2)I TS29427 [1,1,0,0,0,0|1,1,0]=4 861 B11R2.1 c1ccc2c(c1)c(cs2)O TS70621 [1,1,0,0,0,0|1,1,0]=4 862 B11R2.1 c1ccc2c(c1)c(no2)Cl TS09509 [1,1,0,0,0,0|2,0,0]=4 863 B11R2.1 c1ccc2c(c1)c(no2)N TS46773 [1,1,0,0,0,0|2,0,0]=4 864 B11R2.1 c1ccc2c(c1)c(no2)O TS01879 [1,1,0,0,0,0|2,0,0]=4 865 B11R2.1 c1ccc2c(c1)ccn2N TS64998 [1,1,0,0,0,0|1,0,1]=4 866 B11R2.1 c1ccc2c(c1)ccs2=O TS40887 [1,1,0,0,0,0|1,1,0]=4 867 B11R2.1 c1ccc2c(c1)ncn2N TS05823 [1,1,0,0,0,0|1,0,0]=3 868 B11R2.1 c1ccc2c(c1)nnn2N TS05886 [1,1,0,0,0,0|2,0,0]=4 869 B11R2.1 c1ccc2c(c1)nnn2O TS00446 [1,1,0,0,0,0|2,0,0]=4 870 B11R2.1 c1ccc2c(c1)nnn2O TS05979 [1,1,0,0,0,0|2,0,0]=4 871 B11R2.1 c1ccc2c(c1)nnn2O TS93163 [1,1,0,0,0,0|2,0,0]=4 872 B11R2.1 c1ccc2c(c1)non2=O TS06044 [1,1,0,0,0,0|2,0,0]=4 873 B11R2.1 c1ccn2c(c1)c(cn2)Br TS18400 [1,1,0,0,0,0|2,0,0]=4 874 B11R2.1 c1ccn2c(c1)c(cn2)N TS36762 [1,1,0,0,0,0|2,0,0]=4 875 B11R2.1 c1ccn2c(c1)ncc2Br TS60010 [1,1,0,0,0,0|2,0,0]=4 876 B11R2.1 c1ccn2c(c1)ncc2Cl TS10249 [1,1,0,0,0,0|2,0,0]=4 877 B11R2.1 c1ccn2c(c1)ncc2I TS61936 [1,1,0,0,0,0|2,0,0]=4 878 B11R2.1 c1ccn2c(c1)ncc2N TS36759 [1,1,0,0,0,0|2,0,0]=4 879 B11R2.36 Cc1ccc2c(c1)OCO2 TS36988 [1,1,0,0,0,0|1,0,1]=4 880 B11R2.36 Cc1ccc2c(c1)[nH]cn2 TS36687 [1,1,0,0,0,0|1,0,0]=3 881 B11R2.36 Cc1ccc2c(c1)cc[nH]2 TS01156 [1,1,0,0,0,0|1,0,1]=4 882 B11R2.36 Cc1ccc2c(c1)ccs2 TS01153 [1,1,0,0,0,0|1,1,0]=4 883 B11R2.36 Cc1ccc2c(c1)nco2 TS36750 [1,1,0,0,0,0|0,0,0]=2 884 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS36761 [1,1,0,0,0,0|2,0,0]=4 885 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS73521 [1,1,0,0,0,0|2,0,0]=4 886 B11R2.36 Cc1ccc2c(c1)non2 TS36810 [1,1,0,0,0,0|2,0,0]=4 887 B11R2.36 Cc1ccc2c(c1)nsn2 TS09904 [1,1,0,0,0,0|2,0,0]=4 888 B11R2.36 Cc1ccc2c(c1)ocn2 TS36747 [1,1,0,0,0,0|0,0,0]=2 889 B11R2.36 Cc1ccc2c(c1)scn2 TS07592 [1,1,0,0,0,0|0,1,0]=3 890 B11R2.36 Cc1ccc2cc[nH]c2c1 TS01264 [1,1,0,0,0,0|1,0,1]=4 891 B11R2.36 Cc1ccc2cc[nH]c2c1 TS11552 [1,1,0,0,0,0|1,0,1]=4 892 B11R2.36 Cc1ccc2nccn2c1 TS05746 [1,1,0,0,0,0|2,0,0]=4 893 B11R2.36 Cc1ccn2ccnc2c1 TS05739 [1,1,0,0,0,0|2,0,0]=4 894 B11R2.36 c1c(c[nH]c-2ncnc12)Br TS88538 [1,1,0,0,0,0|2,0,0]=4 895 B11R2.36 c1c(cnc2c1[nH]cn2)Cl TS10360 [1,1,0,0,0,0|2,0,0]=4 896 B11R2.36 c1c(cnc2c1ncs2)Br TS21820 [1,1,0,0,0,0|1,1,0]=4 897 B11R2.36 c1cc(cc2c1cc[nH]2)Br TS55563 [1,1,0,0,0,0|1,0,1]=4 898 B11R2.36 c1cc(cc2c1cc[nH]2)Cl TS08436 [1,1,0,0,0,0|1,0,1]=4 899 B11R2.36 c1cc(cc2c1cc[nH]2)F TS01230 [1,1,0,0,0,0|1,0,1]=4 900 B11R2.36 c1cc(cc2c1cc[nH]2)N TS05749 [1,1,0,0,0,0|1,0,1]=4 901 B11R2.36 c1cc(cc2c1cc[nH]2)O TS55608 [1,1,0,0,0,0|1,0,1]=4 902 B11R2.36 c1cc(cn2c1ccn2)Br TS91371 [1,1,0,0,0,0|2,0,0]=4 903 B11R2.36 c1cc(nc2c1[nH]cn2)Br TS90052 [1,1,0,0,0,0|2,0,0]=4 904 B11R2.36 c1cc(nc2c1nc[nH]2)Cl TS03265 [1,1,0,0,0,0|2,0,0]=4 905 B11R2.36 c1cc2c(cc1Br)C=CC2 TS03252 [1,1,0,0,0,0|2,0,0]=4 906 B11R2.36 c1cc2c(cc1Br)CCO2 TS16969 [1,1,0,0,0,0|1,0,1]=4 907 B11R2.36 c1cc2c(cc1Br)nco2 TS71458 [1,1,0,0,0,0|0,0,0]=2 908 B11R2.36 c1cc2c(cc1Br)ncs2 TS71457 [1,1,0,0,0,0|0,1,0]=3 909 B11R2.36 c1cc2c(cc1Br)nn[nH]2 TS03248 [1,1,0,0,0,0|2,0,0]=4 910 B11R2.36 c1cc2c(cc1Br)non2 TS71410 [1,1,0,0,0,0|2,0,0]=4 911 B11R2.36 c1cc2c(cc1Br)nsn2 TS21821 [1,1,0,0,0,0|2,0,0]=4 912 B11R2.36 c1cc2c(cc1Br)ocn2 TS55557 [1,1,0,0,0,0|0,0,0]=2 913 B11R2.36 c1cc2c(cc1Br)scn2 TS55556 [1,1,0,0,0,0|0,1,0]=3 914 B11R2.36 c1cc2c(cc1Cl)C=CC2 TS09974 [1,1,0,0,0,0|2,0,0]=4 915 B11R2.36 c1cc2c(cc1Cl)OCO2 TS10792 [1,1,0,0,0,0|1,0,1]=4 916 B11R2.36 c1cc2c(cc1Cl)[nH]cn2 TS41215 [1,1,0,0,0,0|1,0,0]=3 917 B11R2.36 c1cc2c(cc1Cl)nco2 TS71512 [1,1,0,0,0,0|0,0,0]=2 918 B11R2.36 c1cc2c(cc1Cl)ncs2 TS12735 [1,1,0,0,0,0|0,1,0]=3 919 B11R2.36 c1cc2c(cc1Cl)nn[nH]2 TS10359 [1,1,0,0,0,0|2,0,0]=4 920 B11R2.36 c1cc2c(cc1Cl)nsn2 TS45251 [1,1,0,0,0,0|2,0,0]=4 921 B11R2.36 c1cc2c(cc1Cl)scn2 TS12737 [1,1,0,0,0,0|0,1,0]=3 922 B11R2.36 c1cc2c(cc1Cl)snn2 TS45249 [1,1,0,0,0,0|1,1,0]=4 923 B11R2.36 c1cc2c(cc1F)C=CC2 TS05891 [1,1,0,0,0,0|2,0,0]=4 924 B11R2.36 c1cc2c(cc1F)nc[nH]2 TS36976 [1,1,0,0,0,0|1,0,0]=3 925 B11R2.36 c1cc2c(cc1F)nco2 TS37083 [1,1,0,0,0,0|0,0,0]=2 926 B11R2.36 c1cc2c(cc1F)nn[nH]2 TS60434 [1,1,0,0,0,0|2,0,0]=4 927 B11R2.36 c1cc2c(cc1F)nsn2 TS10422 [1,1,0,0,0,0|2,0,0]=4 928 B11R2.36 c1cc2c(cc1I)CCO2 TS62237 [1,1,0,0,0,0|1,0,1]=4 929 B11R2.36 c1cc2c(cc1I)OCO2 TS62506 [1,1,0,0,0,0|1,0,1]=4 930 B11R2.36 c1cc2c(cc1N)CCO2 TS85408 [1,1,0,0,0,0|1,0,1]=4 931 B11R2.36 c1cc2c(cc1N)OCO2 TS59883 [1,1,0,0,0,0|1,0,1]=4 932 B11R2.36 c1cc2c(cc1N)[nH]cn2 TS03240 [1,1,0,0,0,0|1,0,0]=3 933 B11R2.36 c1cc2c(cc1N)nco2 TS36808 [1,1,0,0,0,0|0,0,0]=2 934 B11R2.36 c1cc2c(cc1N)ncs2 TS09908 [1,1,0,0,0,0|0,1,0]=3 935 B11R2.36 c1cc2c(cc1N)ocn2 TS01204 [1,1,0,0,0,0|0,0,0]=2 936 B11R2.36 c1cc2c(cc1N)scn2 TS01203 [1,1,0,0,0,0|0,1,0]=3 937 B11R2.36 c1cc2c(cc1O)CCO2 TS36986 [1,1,0,0,0,0|1,0,1]=4 938 B11R2.36 c1cc2c(cc1O)OCO2 TS39810 [1,1,0,0,0,0|1,0,1]=4 939 B11R2.36 c1cc2c(cc1O)non2 TS06043 [1,1,0,0,0,0|2,0,0]=4 940 B11R2.36 c1cc2c(cc[nH]2)cc1Br TS71465 [1,1,0,0,0,0|1,0,1]=4 941 B11R2.36 c1cc2c(cc[nH]2)cc1Br TS94754 [1,1,0,0,0,0|1,0,1]=4 942 B11R2.36 c1cc2c(cc[nH]2)cc1Cl TS71514 [1,1,0,0,0,0|1,0,1]=4 943 B11R2.36 c1cc2c(cc[nH]2)cc1F TS03319 [1,1,0,0,0,0|1,0,1]=4 944 B11R2.36 c1cc2c(cc[nH]2)cc1I TS26961 [1,1,0,0,0,0|1,0,1]=4 945 B11R2.36 c1cc2c(cc[nH]2)cc1N TS36684 [1,1,0,0,0,0|1,0,1]=4 946 B11R2.36 c1cc2c(cc[nH]2)cc1O TS03333 [1,1,0,0,0,0|1,0,1]=4 947 B11R2.36 c1cc2c(cco2)cc1Br TS71455 [1,1,0,0,0,0|1,0,0]=3 948 B11R2.36 c1cc2c(cco2)cc1N TS36754 [1,1,0,0,0,0|1,0,0]=3 949 B11R2.36 c1cc2c(ccs2)cc1Br TS71466 [1,1,0,0,0,0|1,1,0]=4 950 B11R2.36 c1cc2c(ccs2)cc1Br TS93234 [1,1,0,0,0,0|1,1,0]=4 951 B11R2.36 c1cc2c(ccs2)cc1Cl TS71511 [1,1,0,0,0,0|1,1,0]=4 952 B11R2.36 c1cc2c(ccs2)cc1N TS60421 [1,1,0,0,0,0|1,1,0]=4 953 B11R2.36 c1cc2cnoc2cc1Cl TS10356 [1,1,0,0,0,0|2,0,0]=4 954 B11R2.36 c1cc2nccn2cc1Br TS71461 [1,1,0,0,0,0|2,0,0]=4 955 B11R2.36 c1cc2nccn2cc1Br TS88050 [1,1,0,0,0,0|2,0,0]=4 956 B11R2.36 c1cc2nccn2cc1Cl TS08433 [1,1,0,0,0,0|2,0,0]=4 957 B11R2.36 c1cc2nccn2cc1I TS61937 [1,1,0,0,0,0|2,0,0]=4 958 B11R2.36 c1cc2nccn2cc1N TS05825 [1,1,0,0,0,0|2,0,0]=4 959 B11R2.36 c1cc2nccn2cc1O TS36824 [1,1,0,0,0,0|2,0,0]=4 960 B11R2.36 c1cc2ncnn2cc1Br TS55533 [1,1,0,0,0,0|2,0,0]=4 961 B11R2.36 c1cc2ncnn2cc1Br TS86144 [1,1,0,0,0,0|2,0,0]=4 962 B11R2.36 c1cc2ncnn2cc1I TS62100 [1,1,0,0,0,0|2,0,0]=4 963 B11R2.36 c1cn2c(cc1Br)ncn2 TS91240 [1,1,0,0,0,0|2,0,0]=4 964 B11R2.36 c1cn2ccnc2cc1Br TS90728 [1,1,0,0,0,0|2,0,0]=4 965 B11R2.36 c1cn2ccnc2cc1Cl TS16505 [1,1,0,0,0,0|2,0,0]=4 966 B11R2.36 c1cn2ccnc2cc1N TS88139 [1,1,0,0,0,0|2,0,0]=4 967 B11R2.36 c1cnn2c1cc(cc2)Br TS85985 [1,1,0,0,0,0|2,0,0]=4 968 B11R2.36 c1coc2c1cc(cn2)N TS90104 [1,1,0,0,0,0|2,0,0]=4 969 B11R2.106 Cc1cccc2c1[nH]cc2 TS09161 [1,1,0,0,0,0|1,0,1]=4 970 B11R2.106 Cc1cccc2c1cc[nH]2 TS03171 [1,1,0,0,0,0|1,0,1]=4 971 B11R2.106 Cc1cccc2c1ccs2 TS60064 [1,1,0,0,0,0|1,1,0]=4 972 B11R2.106 Cc1cccc2c1n[nH]n2 TS93653 [1,1,0,0,0,0|2,0,0]=4 973 B11R2.106 Cc1cccc2c1nsn2 TS09906 [1,1,0,0,0,0|2,0,0]=4 974 B11R2.106 Cc1cccc2c1scc2 TS07497 [1,1,0,0,0,0|1,1,0]=4 975 B11R2.106 Cc1cccc2n1ccn2 TS05743 [1,1,0,0,0,0|2,0,0]=4 976 B11R2.106 Cc1cccn2c1ncc2 TS36682 [1,1,0,0,0,0|2,0,0]=4 977 B11R2.106 Cc1ccnc2c1nc[nH]2 TS90699 [1,1,0,0,0,0|2,0,0]=4 978 B11R2.106 c1c2c(c(cn1)Br)[nH]cn2 TS89998 [1,1,0,0,0,0|2,0,0]=4 979 B11R2.106 c1c2c(c(cn1)Cl)[nH]cn2 TS90892 [1,1,0,0,0,0|2,0,0]=4 980 B11R2.106 c1c[nH]c(=O)c2c1cco2 TS91070 [1,1,0,0,0,0|2,0,0]=4 981 B11R2.106 c1c[nH]c(=O)c2c1occ2 TS05968 [1,1,0,0,0,0|2,0,0]=4 982 B11R2.106 c1cc(c2c(c1)OCC2)N TS07697 [1,1,0,0,0,0|1,0,1]=4 983 B11R2.106 c1cc(c2c(c1)OCO2)N TS32755 [1,1,0,0,0,0|1,0,1]=4 984 B11R2.106 c1cc(c2c(c1)[nH]cn2)N TS02784 [1,1,0,0,0,0|1,0,0]=3 985 B11R2.106 c1cc(c2c(c1)[nH]nn2)N TS05882 [1,1,0,0,0,0|2,0,0]=4 986 B11R2.106 c1cc(c2c(c1)ncs2)N TS09903 [1,1,0,0,0,0|0,1,0]=3 987 B11R2.106 c1cc(c2c(c1)non2)N TS05976 [1,1,0,0,0,0|2,0,0]=4 988 B11R2.106 c1cc(c2c(c1)nsn2)N TS10066 [1,1,0,0,0,0|2,0,0]=4 989 B11R2.106 c1cc(c2c(c1)ocn2)N TS36818 [1,1,0,0,0,0|0,0,0]=2 990 B11R2.106 c1cc(c2c(c1)scn2)O TS71169 [1,1,0,0,0,0|0,1,0]=3 991 B11R2.106 c1cc(c2cc[nH]c2c1)N TS02994 [1,1,0,0,0,0|1,0,1]=4 992 B11R2.106 c1cc(c2ccsc2c1)N TS00402 [1,1,0,0,0,0|1,1,0]=4 993 B11R2.106 c1cc(c2nccn2c1)Br TS01317 [1,1,0,0,0,0|2,0,0]=4 994 B11R2.106 c1cc(c2nccn2c1)Br TS92588 [1,1,0,0,0,0|2,0,0]=4 995 B11R2.106 c1cc(c2nccn2c1)N TS56183 [1,1,0,0,0,0|2,0,0]=4 996 B11R2.106 c1cc(c2ncnn2c1)Br TS87778 [1,1,0,0,0,0|2,0,0]=4 997 B11R2.106 c1cc(n2ccnc2c1)N TS56182 [1,1,0,0,0,0|2,0,0]=4 998 B11R2.106 c1cc2c(c(c1)Br)OCO2 TS03032 [1,1,0,0,0,0|1,0,1]=4 999 B11R2.106 c1cc2c(c(c1)Br)nco2 TS32797 [1,1,0,0,0,0|0,0,0]=2 1000 B11R2.106 c1cc2c(c(c1)Br)nsn2 TS21822 [1,1,0,0,0,0|2,0,0]=4 1001 B11R2.106 c1cc2c(c(c1)Br)ocn2 TS53947 [1,1,0,0,0,0|0,0,0]=2 1002 B11R2.106 c1cc2c(c(c1)Br)scn2 TS87473 [1,1,0,0,0,0|0,1,0]=3 1003 B11R2.106 c1cc2c(c(c1)Cl)CC=C2 TS09973 [1,1,0,0,0,0|2,0,0]=4 1004 B11R2.106 c1cc2c(c(c1)Cl)CCO2 TS10531 [1,1,0,0,0,0|1,0,1]=4 1005 B11R2.106 c1cc2c(c(c1)Cl)non2 TS10524 [1,1,0,0,0,0|2,0,0]=4 1006 B11R2.106 c1cc2c(c(c1)I)nsn2 TS22846 [1,1,0,0,0,0|2,0,0]=4 1007 B11R2.106 c1cc2c(c(c1)O)CC=C2 TS36662 [1,1,0,0,0,0|2,0,0]=4 1008 B11R2.106 c1cc2c(c(c1)O)nc[nH]2 TS36807 [1,1,0,0,0,0|1,0,0]=3 1009 B11R2.106 c1cc2c(c(c1)O)nn[nH]2 TS05980 [1,1,0,0,0,0|2,0,0]=4 1010 B11R2.106 c1cc2c(cc[nH]2)c(c1)Br TS09604 [1,1,0,0,0,0|1,0,1]=4 1011 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl TS71069 [1,1,0,0,0,0|1,0,1]=4 1012 B11R2.106 c1cc2c(cc[nH]2)c(c1)F TS03092 [1,1,0,0,0,0|1,0,1]=4 1013 B11R2.106 c1cc2c(cc[nH]2)c(c1)O TS71173 [1,1,0,0,0,0|1,0,1]=4 1014 B11R2.106 c1cc2c(cco2)c(c1)Br TS87398 [1,1,0,0,0,0|1,0,0]=3 1015 B11R2.106 c1cc2c(ccs2)c(c1)Br TS88080 [1,1,0,0,0,0|1,1,0]=4 1016 B11R2.106 c1cc2cc[nH]c2c(c1)Br TS55655 [1,1,0,0,0,0|1,0,1]=4 1017 B11R2.106 c1cc2cc[nH]c2c(c1)Br TS93651 [1,1,0,0,0,0|1,0,1]=4 1018 B11R2.106 c1cc2cc[nH]c2c(c1)Cl TS16506 [1,1,0,0,0,0|1,0,1]=4 1019 B11R2.106 c1cc2cc[nH]c2c(c1)F TS16518 [1,1,0,0,0,0|1,0,1]=4 1020 B11R2.106 c1cc2cc[nH]c2c(c1)N TS05750 [1,1,0,0,0,0|1,0,1]=4 1021 B11R2.106 c1cc2cc[nH]c2c(c1)O TS55678 [1,1,0,0,0,0|1,0,1]=4 1022 B11R2.106 c1cc2ccnn2c(c1)Br TS55662 [1,1,0,0,0,0|2,0,0]=4 1023 B11R2.106 c1cc2ccnn2c(c1)I TS61933 [1,1,0,0,0,0|2,0,0]=4 1024 B11R2.106 c1cc2ccsc2c(c1)Cl TS12629 [1,1,0,0,0,0|1,1,0]=4 1025 B11R2.106 c1cc2cnoc2c(c1)O TS05967 [1,1,0,0,0,0|2,0,0]=4 1026 B11R2.106 c1cc2nccn2c(c1)Cl TS60088 [1,1,0,0,0,0|2,0,0]=4 1027 B11R2.106 c1cc2ncnn2c(c1)Br TS86711 [1,1,0,0,0,0|2,0,0]=4 1028 B11R2.106 c1cnc(c2c1[nH]cn2)Br TS89331 [1,1,0,0,0,0|2,0,0]=4 1029 B11R2.106 c1cnc(c2c1[nH]cn2)Cl TS09632 [1,1,0,0,0,0|2,0,0]=4 1030 B11R2.106 c1cnc(c2c1[nH]cn2)N TS90510 [1,1,0,0,0,0|2,0,0]=4 1031 B11R2.106 c1cnc(c2c1cco2)Cl TS86686 [1,1,0,0,0,0|2,0,0]=4 1032 B11R2.106 c1cnc(c2c1ncs2)Cl TS90090 [1,1,0,0,0,0|1,1,0]=4 1033 B11R2.106 c1cnc(c2c1occ2)Cl TS71068 [1,1,0,0,0,0|2,0,0]=4 1034 B11R2.106 c1cnc2c(c1Br)nc[nH]2 TS87102 [1,1,0,0,0,0|2,0,0]=4 1035 B11R2.106 c1cnc2c(c1Cl)cco2 TS88728 [1,1,0,0,0,0|2,0,0]=4 1036 B11R2.106 c1cnc2c(c1Cl)nc[nH]2 TS92069 [1,1,0,0,0,0|2,0,0]=4 1037 B11R2.106 c1cnc2c(c1I)nc[nH]2 TS89008 [1,1,0,0,0,0|2,0,0]=4 1038 B11R2.106 c1cnc2ccoc2c1Cl TS88672 [1,1,0,0,0,0|2,0,0]=4 1039 B11R2.988 c1ccc2c(c1)C=C2C#N TS05463 [0,1,0,0,1,0|1,0,1]=4 1040 B11R2.988 c1ccc2c(c1)CC2CO TS36669 [0,1,0,0,1,0|1,0,1]=4 1041 B13R2.32 CN1c2ccccc2OCC1=O TS42566 [0,1,0,0,0,1|1,0,1]=4 1042 B13R2.32 Cc1c2ccccc2ncc1N TS65074 [0,1,0,0,0,1|2,0,0]=4 1043 B13R2.32 Cc1ccc2ccccc2c1Br TS49911 [0,1,0,0,0,1|2,0,0]=4 1044 B13R2.32 Cc1ccc2ccccc2c1C TS10742 [0,1,0,0,0,1|2,0,0]=4 1045 B13R2.32 Cc1ccc2ccccc2c1N TS17754 [0,1,0,0,0,1|2,0,0]=4 1046 B13R2.32 Cc1ccc2ccccc2c1N TS41806 [0,1,0,0,0,1|2,0,0]=4 1047 B13R2.32 Cc1ccc2ccccc2c1O TS55445 [0,1,0,0,0,1|2,0,0]=4 1048 B13R2.32 Cc1cnc2ccccc2c1N TS11004 [0,1,0,0,0,1|1,0,0]=3 1049 B13R2.32 Cc1coc2ccccc2c1=O TS42143 [0,1,0,0,0,1|1,0,0]=3 1050 B13R2.32 c1ccc2c(c1)c(=O)c(co2)Br TS52112 [0,1,0,0,0,1|2,0,0]=4 1051 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)Br TS35018 [0,1,0,0,0,1|2,0,0]=4 1052 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)Cl TS65081 [0,1,0,0,0,1|2,0,0]=4 1053 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)N TS70876 [0,1,0,0,0,1|2,0,0]=4 1054 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)O TS50421 [0,1,0,0,0,1|2,0,0]=4 1055 B13R2.32 c1ccc2c(c1)c(c(cn2)Cl)O TS66012 [0,1,0,0,0,1|2,0,0]=4 1056 B13R2.32 c1ccc2c(c1)c(c(cn2)N)Br TS23602 [0,1,0,0,0,1|2,0,0]=4 1057 B13R2.32 c1ccc2c(c1)c(c(cn2)N)N TS42063 [0,1,0,0,0,1|2,0,0]=4 1058 B13R2.57 C=Cc1ccc2ccccc2n1 TS10588 [0,1,0,0,0,1|1,0,1]=4 1059 B13R2.57 CCc1cc2ccccc2nc1 TS41810 [0,1,0,0,0,1|1,0,0]=3 1060 B13R2.57 CCc1ccc2ccccc2c1 TS41663 [0,1,0,0,0,1|2,0,0]=4 1061 B13R2.57 CNC1Cc2ccccc2OC1 TS11717 [0,1,0,0,0,1|1,0,1]=4 1062 B13R2.57 CNc1ccc2ccccc2c1 TS41809 [0,1,0,0,0,1|2,0,0]=4 1063 B13R2.57 COc1ccc2ccccc2c1 TS10994 [0,1,0,0,0,1|2,0,0]=4 1064 B13R2.57 CSc1ccc2ccccc2c1 TS45829 [0,1,0,0,0,1|2,0,0]=4 1065 B13R2.57 c1ccc2c(c1)C=C(CO2)C#N TS10853 [0,1,0,0,0,1|1,0,1]=4 1066 B13R2.57 c1ccc2c(c1)C=C(CO2)C=O TS07721 [0,1,0,0,0,1|1,0,1]=4 1067 B13R2.57 c1ccc2c(c1)C=C(CO2)CO TS11537 [0,1,0,0,0,1|1,0,0]=3 1068 B13R2.57 c1ccc2c(c1)CC(CO2)CI TS33563 [0,1,0,0,0,1|1,0,1]=4 1069 B13R2.57 c1ccc2c(c1)CC(CO2)CN TS18910 [0,1,0,0,0,1|1,0,1]=4 1070 B13R2.57 c1ccc2c(c1)CC(CO2)CO TS11871 [0,1,0,0,0,1|1,0,1]=4 1071 B13R2.57 c1ccc2c(c1)CCC(O2)CBr TS32908 [0,1,0,0,0,1|1,0,1]=4 1072 B13R2.57 c1ccc2c(c1)CC[C@@H](O2)CN TS11720 [0,1,0,0,0,1|1,0,1]=4 1073 B13R2.57 c1ccc2c(c1)NC(CO2)CN TS11898 [0,1,0,0,0,1|0,0,2]=4 1074 B13R2.57 c1ccc2c(c1)NC(CO2)CO TS42895 [0,1,0,0,0,1|0,0,2]=4 1075 B13R2.57 c1ccc2c(c1)NCC(O2)CO TS12002 [0,1,0,0,0,1|0,0,2]=4 1076 B13R2.57 c1ccc2c(c1)OCC(O2)CBr TS52790 [0,1,0,0,0,1|1,0,1]=4 1077 B13R2.57 c1ccc2c(c1)OCC(O2)CCl TS15381 [0,1,0,0,0,1|1,0,1]=4 1078 B13R2.57 c1ccc2c(c1)OCC(O2)CI TS31077 [0,1,0,0,0,1|1,0,1]=4 1079 B13R2.57 c1ccc2c(c1)OCC(O2)CN TS46699 [0,1,0,0,0,1|1,0,1]=4 1080 B13R2.57 c1ccc2c(c1)OCC(O2)CO TS12169 [0,1,0,0,0,1|1,0,1]=4 1081 B13R2.57 c1ccc2c(c1)OC[C@@H](O2)CBr TS08917 [0,1,0,0,0,1|1,0,1]=4 1082 B13R2.57 c1ccc2c(c1)cc(cn2)C#N TS10435 [0,1,0,0,0,1|1,0,1]=4 1083 B13R2.57 c1ccc2c(c1)cc(cn2)C=O TS01678 [0,1,0,0,0,1|1,0,1]=4 1084 B13R2.57 c1ccc2c(c1)cc(cn2)CN TS11003 [0,1,0,0,0,1|1,0,0]=3 1085 B13R2.57 c1ccc2c(c1)ccc(n2)C#N TS10434 [0,1,0,0,0,1|1,0,1]=4 1086 B13R2.57 c1ccc2c(c1)ccc(n2)C=O TS01677 [0,1,0,0,0,1|1,0,1]=4 1087 B13R2.57 c1ccc2c(c1)ccc(n2)CBr TS08821 [0,1,0,0,0,1|1,0,0]=3 1088 B13R2.57 c1ccc2c(c1)ccc(n2)CCl TS47092 [0,1,0,0,0,1|1,0,0]=3 1089 B13R2.57 c1ccc2c(c1)ccc(n2)CO TS65647 [0,1,0,0,0,1|1,0,0]=3 1090 B13R2.57 c1ccc2c(c1)ccc(n2)NN TS42066 [0,1,0,0,0,1|2,0,0]=4 1091 B13R2.57 c1ccc2c(c1)ncc(n2)C=O TS41876 [0,1,0,0,0,1|1,0,1]=4 1092 B13R2.57 c1ccc2c(c1)ncc(n2)NN TS42171 [0,1,0,0,0,1|2,0,0]=4 1093 B13R2.57 c1ccc2cc(ccc2c1)CBr TS23231 [0,1,0,0,0,1|2,0,0]=4 1094 B13R2.57 c1ccc2cc(ccc2c1)CCl TS47088 [0,1,0,0,0,1|2,0,0]=4 1095 B13R2.57 c1ccc2cc(ccc2c1)CN TS17752 [0,1,0,0,0,1|2,0,0]=4 1096 B13R2.57 c1ccc2cc(ccc2c1)CN TS46703 [0,1,0,0,0,1|2,0,0]=4 1097 B13R2.57 c1ccc2cc(ccc2c1)CO TS01786 [0,1,0,0,0,1|2,0,0]=4 1098 B13R2.57 c1ccc2cnc(cc2c1)C#N TS70640 [0,1,0,0,0,1|1,0,1]=4 1099 B13R2.57 c1ccc2cnc(cc2c1)C=O TS70641 [0,1,0,0,0,1|1,0,1]=4 1100 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 TS42572 [0,1,0,0,0,1|1,0,1]=4 1101 B13R2.155 Cc1ccc2ccc(=O)oc2c1 TS42130 [0,1,0,0,0,1|2,0,0]=4 1102 B13R2.155 Cc1ccc2ccc(cc2c1)C TS41664 [0,1,0,0,0,1|2,0,0]=4 1103 B13R2.155 Cc1ccc2ccc(cc2n1)Cl TS14116 [0,1,0,0,0,1|1,0,0]=3 1104 B13R2.155 Cc1ccc2ccc(cc2n1)F TS42304 [0,1,0,0,0,1|1,0,0]=3 1105 B13R2.155 Cc1ccc2ccc(nc2c1)C TS41802 [0,1,0,0,0,1|1,0,0]=3 1106 B13R2.155 c1cc(cc2c1ccc(=O)o2)N TS42281 [0,1,0,0,0,1|2,0,0]=4 1107 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br TS09158 [0,1,0,0,0,1|2,0,0]=4 1108 B13R2.155 c1cc(cc2c1ccc(n2)N)Br TS23609 [0,1,0,0,0,1|2,0,0]=4 1109 B13R2.155 c1cc(cc2c1ccc(n2)O)Cl TS55673 [0,1,0,0,0,1|2,0,0]=4 1110 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 TS22914 [0,1,0,0,0,1|1,0,1]=4 1111 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 TS55659 [0,1,0,0,0,1|2,0,0]=4 1112 B13R2.155 c1cc2c(cc1Br)cc(cn2)O TS50418 [0,1,0,0,0,1|2,0,0]=4 1113 B13R2.155 c1cc2c(cc1Br)nc(cn2)Cl TS16490 [0,1,0,0,0,1|2,0,0]=4 1114 B13R2.155 c1cc2c(cc1Cl)CC(=O)CO2 TS48351 [0,1,0,0,0,1|2,0,0]=4 1115 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 TS15186 [0,1,0,0,0,1|1,0,1]=4 1116 B13R2.155 c1cc2c(cc1Cl)nc(cn2)Cl TS00718 [0,1,0,0,0,1|2,0,0]=4 1117 B13R2.155 c1cc2c(cc1I)cc(cn2)Br TS63868 [0,1,0,0,0,1|2,0,0]=4 1118 B13R2.155 c1cc2c(cc1N)NC(=O)CO2 TS55526 [0,1,0,0,0,1|1,0,1]=4 1119 B13R2.155 c1cc2c(cc1N)cc(cn2)Br TS23607 [0,1,0,0,0,1|2,0,0]=4 1120 B13R2.155 c1cc2c(cc1S)NC(=O)CO2 TS14800 [0,1,0,0,0,1|1,0,1]=4 1121 B13R2.155 c1cc2cnc(nc2cc1Br)Cl TS85708 [0,1,0,0,0,1|2,0,0]=4 1122 B13R2.155 c1cc2cnc(nc2cc1Cl)N TS94436 [0,1,0,0,0,1|2,0,0]=4 1123 B13R2.155 c1cc2cnc(nc2cc1F)Cl TS00945 [0,1,0,0,0,1|2,0,0]=4 1124 B13R2.162 CC1CNc2cccc(c2O1)N TS42778 [0,1,0,0,0,1|0,0,2]=4 1125 B13R2.162 Cc1cc2c(cccc2nn1)N TS42061 [0,1,0,0,0,1|1,0,0]=3 1126 B13R2.162 Cc1ccc2cccc(c2c1)C TS10739 [0,1,0,0,0,1|2,0,0]=4 1127 B13R2.162 Cc1ccc2cccc(c2c1)O TS10989 [0,1,0,0,0,1|2,0,0]=4 1128 B13R2.162 Cc1ccc2cccc(c2n1)Cl TS14101 [0,1,0,0,0,1|1,0,0]=3 1129 B13R2.162 Cc1ccc2cccc(c2n1)F TS11390 [0,1,0,0,0,1|1,0,0]=3 1130 B13R2.162 Cc1ccc2cccc(c2n1)N TS01309 [0,1,0,0,0,1|1,0,0]=3 1131 B13R2.162 Cc1ccc2cccc(c2n1)O TS85354 [0,1,0,0,0,1|1,0,0]=3 1132 B13R2.162 Cc1cccc2c1nc(cc2)C TS10881 [0,1,0,0,0,1|1,0,0]=3 1133 B13R2.162 c1cc2c(c(c1)Br)CC(=O)CO2 TS24310 [0,1,0,0,0,1|2,0,0]=4 1134 B13R2.162 c1cc2c(cc(cn2)Br)c(c1)Br TS35014 [0,1,0,0,0,1|2,0,0]=4 1135 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Cl TS07930 [0,1,0,0,0,1|2,0,0]=4 1136 B13R2.162 c1cc2ccc(nc2c(c1)O)N TS11251 [0,1,0,0,0,1|2,0,0]=4 1137 B13R2.162 c1cc2ccc(nc2c(c1)O)O TS59682 [0,1,0,0,0,1|2,0,0]=4 1138 B13R2.162 c1cc2cnc(nc2c(c1)Br)Cl TS91660 [0,1,0,0,0,1|2,0,0]=4 1139 B13R2.328 CC1=Nc2ccccc2C(=O)C1 TS11136 [0,1,0,0,0,1|1,0,0]=3 1140 B13R2.328 Cc1[nH]c(=O)c2ccccc2n1 TS46422 [0,1,0,0,0,1|1,0,0]=3 1141 B13R2.328 Cc1cc(=O)oc2c1cccc2 TS42135 [0,1,0,0,0,1|2,0,0]=4 1142 B13R2.328 Cc1cc(c2ccccc2c1)C TS10737 [0,1,0,0,0,1|2,0,0]=4 1143 B13R2.328 Cc1cc(c2ccccc2n1)Cl TS14102 [0,1,0,0,0,1|1,0,0]=3 1144 B13R2.328 Cc1cc(c2ccccc2n1)N TS11011 [0,1,0,0,0,1|1,0,0]=3 1145 B13R2.328 Cc1cc(c2ccccc2n1)O TS11130 [0,1,0,0,0,1|1,0,0]=3 1146 B13R2.328 Cc1cc(c2ccccc2n1)S TS13738 [0,1,0,0,0,1|1,0,0]=3 1147 B13R2.328 Cc1cc(nc2c1cccc2)C TS10883 [0,1,0,0,0,1|1,0,0]=3 1148 B13R2.328 Cc1cc(nc2c1cccc2)Cl TS07941 [0,1,0,0,0,1|2,0,0]=4 1149 B13R2.328 Cc1cc(nc2c1cccc2)N TS41933 [0,1,0,0,0,1|2,0,0]=4 1150 B13R2.328 Cc1cc(nc2c1cccc2)O TS32798 [0,1,0,0,0,1|2,0,0]=4 1151 B13R2.328 Cc1cc2ccccc2c(=O)o1 TS42131 [0,1,0,0,0,1|1,0,0]=3 1152 B13R2.328 Cc1cc2ccccc2c(n1)Cl TS14111 [0,1,0,0,0,1|1,0,0]=3 1153 B13R2.328 Cc1cc2ccccc2n(=O)c1 TS42049 [0,1,0,0,0,1|1,0,1]=4 1154 B13R2.328 Cc1nc2ccccc2c(=O)o1 TS00093 [0,1,0,0,0,1|0,0,0]=2 1155 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O TS11500 [0,1,0,0,0,1|2,0,0]=4 1156 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)o2 TS42538 [0,1,0,0,0,1|1,0,1]=4 1157 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(n2)N TS47363 [0,1,0,0,0,1|2,0,0]=4 1158 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(n2)S TS55419 [0,1,0,0,0,1|2,0,0]=4 1159 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 TS42535 [0,1,0,0,0,1|1,0,1]=4 1160 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)Cl TS47995 [0,1,0,0,0,1|2,0,0]=4 1161 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N TS42279 [0,1,0,0,0,1|2,0,0]=4 1162 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O TS11497 [0,1,0,0,0,1|2,0,0]=4 1163 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl TS00621 [0,1,0,0,0,1|2,0,0]=4 1164 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)F TS14838 [0,1,0,0,0,1|2,0,0]=4 1165 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br TS23601 [0,1,0,0,0,1|2,0,0]=4 1166 B13R2.328 c1ccc2c(c1)c(cc(n2)N)N TS42057 [0,1,0,0,0,1|2,0,0]=4 1167 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O TS47527 [0,1,0,0,0,1|2,0,0]=4 1168 B13R2.328 c1ccc2c(c1)c(cc(n2)O)O TS15096 [0,1,0,0,0,1|2,0,0]=4 1169 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl TS00620 [0,1,0,0,0,1|2,0,0]=4 1170 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)N TS39268 [0,1,0,0,0,1|2,0,0]=4 1171 B13R2.328 c1ccc2c(c1)c(nc(n2)N)N TS42170 [0,1,0,0,0,1|2,0,0]=4 1172 B13R2.328 c1ccc2c(c1)cc(nc2Br)N TS23600 [0,1,0,0,0,1|2,0,0]=4 1173 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl TS59888 [0,1,0,0,0,1|2,0,0]=4 1174 B13R2.328 c1ccc2c(c1)nc(nn2=O)N TS42426 [0,1,0,0,0,1|2,0,0]=4 1175 B13R2.369 CC1C(=O)Nc2ccccc2O1 TS42576 [0,1,0,0,0,1|0,0,2]=4 1176 B13R2.369 Cc1c(nc2ccccc2n1)C TS11009 [0,1,0,0,0,1|1,0,0]=3 1177 B13R2.369 Cc1c(nc2ccccc2n1)Cl TS47634 [0,1,0,0,0,1|1,0,0]=3 1178 B13R2.369 Cc1c(nc2ccccc2n1)N TS42053 [0,1,0,0,0,1|1,0,0]=3 1179 B13R2.369 Cc1c(nc2ccccc2n1)O TS42151 [0,1,0,0,0,1|1,0,0]=3 1180 B13R2.369 Cc1cc2ccccc2cc1C TS10730 [0,1,0,0,0,1|2,0,0]=4 1181 B13R2.369 Cc1cc2ccccc2nc1Br TS50053 [0,1,0,0,0,1|1,0,0]=3 1182 B13R2.369 Cc1cc2ccccc2nc1Cl TS14104 [0,1,0,0,0,1|1,0,0]=3 1183 B13R2.369 Cc1cc2ccccc2nc1N TS41930 [0,1,0,0,0,1|1,0,0]=3 1184 B13R2.369 Cc1cc2ccccc2oc1=O TS42144 [0,1,0,0,0,1|1,0,0]=3 1185 B13R2.369 c1ccc2c(c1)[nH]c(=O)c(n2)N TS91753 [0,1,0,0,0,1|2,0,0]=4 1186 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl TS47997 [0,1,0,0,0,1|2,0,0]=4 1187 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N TS93636 [0,1,0,0,0,1|2,0,0]=4 1188 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)O TS11498 [0,1,0,0,0,1|2,0,0]=4 1189 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br TS89145 [0,1,0,0,0,1|2,0,0]=4 1190 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br TS26916 [0,1,0,0,0,1|2,0,0]=4 1191 B13R2.369 c1ccc2c(c1)nc(c(=O)o2)O TS42536 [0,1,0,0,0,1|1,0,0]=3 1192 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)Cl TS08792 [0,1,0,0,0,1|2,0,0]=4 1193 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)N TS91481 [0,1,0,0,0,1|2,0,0]=4 1194 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)O TS89025 [0,1,0,0,0,1|2,0,0]=4 1195 B13R2.369 c1ccc2c(c1)nc(c(n2)N)N TS42172 [0,1,0,0,0,1|2,0,0]=4 1196 B13R2.369 c1ccc2c(c1)nc(c(n2)O)O TS11508 [0,1,0,0,0,1|2,0,0]=4 1197 B13R2.369 c1ccc2c(c1)nc(c(n2)S)S TS17931 [0,1,0,0,0,1|2,0,0]=4 1198 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 TS42129 [0,1,0,0,0,1|2,0,0]=4 1199 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Br TS60271 [0,1,0,0,0,1|2,0,0]=4 1200 B13R2.3683 Cc1ccc2c(c1)ccc(n2)C TS41807 [0,1,0,0,0,1|1,0,0]=3 1201 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Cl TS00938 [0,1,0,0,0,1|2,0,0]=4 1202 B13R2.3683 Cc1ccc2c(c1)ccc(n2)O TS11124 [0,1,0,0,0,1|2,0,0]=4 1203 B13R2.3683 Cc1ccc2c(c1)cnc(n2)N TS42056 [0,1,0,0,0,1|2,0,0]=4 1204 B13R2.3683 Cc1ccc2c(c1)ncc(n2)O TS01060 [0,1,0,0,0,1|2,0,0]=4 1205 B13R2.3683 Cc1ccc2cc(ccc2c1)Br TS49912 [0,1,0,0,0,1|2,0,0]=4 1206 B13R2.3683 Cc1ccc2cc(ccc2c1)F TS42175 [0,1,0,0,0,1|2,0,0]=4 1207 B13R2.3683 Cc1ccc2cc(ccc2c1)O TS10991 [0,1,0,0,0,1|2,0,0]=4 1208 B13R2.3683 Cc1ccc2cc(ccc2n1)Br TS22919 [0,1,0,0,0,1|1,0,0]=3 1209 B13R2.3683 Cc1ccc2cc(ccc2n1)Cl TS14103 [0,1,0,0,0,1|1,0,0]=3 1210 B13R2.3683 Cc1ccc2cc(ccc2n1)F TS11393 [0,1,0,0,0,1|1,0,0]=3 1211 B13R2.3683 Cc1ccc2cc(ccc2n1)N TS41914 [0,1,0,0,0,1|1,0,0]=3 1212 B13R2.3683 Cc1ccc2cc(ccc2n1)O TS42045 [0,1,0,0,0,1|1,0,0]=3 1213 B13R2.3683 c1cc(=O)oc2c1cc(cc2)N TS53918 [0,1,0,0,0,1|2,0,0]=4 1214 B13R2.3683 c1cc(=O)oc2c1cc(cc2)O TS42406 [0,1,0,0,0,1|2,0,0]=4 1215 B13R2.3683 c1cc(cc2c1cc(nc2)Cl)Br TS87781 [0,1,0,0,0,1|2,0,0]=4 1216 B13R2.3683 c1cc(cc2c1cc(nc2)N)Br TS89312 [0,1,0,0,0,1|2,0,0]=4 1217 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl TS55546 [0,1,0,0,0,1|2,0,0]=4 1218 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl TS32896 [0,1,0,0,0,1|2,0,0]=4 1219 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N TS47632 [0,1,0,0,0,1|2,0,0]=4 1220 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O TS02272 [0,1,0,0,0,1|2,0,0]=4 1221 B13R2.3683 c1cc(nc2c1cc(cc2)I)Cl TS55265 [0,1,0,0,0,1|2,0,0]=4 1222 B13R2.3683 c1cc(nc2c1cc(cc2)I)O TS94279 [0,1,0,0,0,1|2,0,0]=4 1223 B13R2.3683 c1cc2c(cc1Br)COC(=O)N2 TS33002 [0,1,0,0,0,1|1,0,1]=4 1224 B13R2.3683 c1cc2c(cc1Br)cnc(=O)[nH]2 TS55542 [0,1,0,0,0,1|2,0,0]=4 1225 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl TS86670 [0,1,0,0,0,1|2,0,0]=4 1226 B13R2.3683 c1cc2c(cc1Br)ncc(n2)Cl TS55547 [0,1,0,0,0,1|2,0,0]=4 1227 B13R2.3683 c1cc2c(cc1Br)ncc(n2)N TS22921 [0,1,0,0,0,1|2,0,0]=4 1228 B13R2.3683 c1cc2c(cc1Cl)ncc(=O)[nH]2 TS16488 [0,1,0,0,0,1|2,0,0]=4 1229 B13R2.3683 c1cc2c(cc1Cl)ncc(n2)Cl TS54147 [0,1,0,0,0,1|2,0,0]=4 1230 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 TS42705 [0,1,0,0,0,1|1,0,1]=4 1231 B13R2.5179 Cc1ccc2c(cccc2c1)C TS41659 [0,1,0,0,0,1|2,0,0]=4 1232 B13R2.5179 Cc1ccc2c(cccc2n1)N TS41923 [0,1,0,0,0,1|1,0,0]=3 1233 B13R2.5179 c1cc2c(c(c1)Br)OCC(=O)C2 TS24309 [0,1,0,0,0,1|2,0,0]=4 1234 B13R2.5179 c1cc2c(ccc(n2)Cl)c(c1)Cl TS18555 [0,1,0,0,0,1|2,0,0]=4 1235 B13R2.5179 c1cc2c(cnc(n2)Cl)c(c1)Br TS91243 [0,1,0,0,0,1|2,0,0]=4 1236 B13R2.5179 c1cc2c(cnc(n2)N)c(c1)Cl TS14478 [0,1,0,0,0,1|2,0,0]=4 1237 B13R2.5179 c1cc2cc(cnc2c(c1)F)I TS74315 [0,1,0,0,0,1|2,0,0]=4 1238 B13R2.45 CSC1=[NH+]c2ccccc2S1C TS77411 [0,2,0,0,0,0|0,1,1]=4 1239 B13R2.45 Cn1c2ccccc2cc1CO TS11404 [0,2,0,0,0,0|1,0,1]=4 1240 B13R2.45 Cn1c2ccccc2nc1CN TS11420 [0,2,0,0,0,0|1,0,0]=3 1241 B13R2.45 Cn1c2ccccc2nc1NN TS42464 [0,2,0,0,0,0|2,0,0]=4 1242 B13R2.135 CC[n+]1c(oc2c1cccc2)C TS58001 [0,2,0,0,0,0|0,0,1]=3 1243 B13R2.135 CC[n+]1c(sc2c1cccc2)C TS31277 [0,2,0,0,0,0|0,1,1]=4 1244 B13R2.135 CC[n+]1c(sc2c1cccc2)C TS75803 [0,2,0,0,0,0|0,1,1]=4 1245 B13R2.135 CC[n+]1c(sc2c1cccc2)C TS78982 [0,2,0,0,0,0|0,1,1]=4 1246 B13R2.135 CC[n+]1c2ccccc2oc1Cl TS73911 [0,2,0,0,0,0|1,0,1]=4 1247 B13R2.135 CCn1c(cc2c1cccc2)C TS42085 [0,2,0,0,0,0|1,0,1]=4 1248 B13R2.135 CCn1c(nc2c1cccc2)C TS11284 [0,2,0,0,0,0|1,0,0]=3 1249 B13R2.135 CCn1c2ccccc2nc1N TS11416 [0,2,0,0,0,0|2,0,0]=4 1250 B13R2.135 Cc1c(c2ccccc2[nH]1)C#N TS46413 [0,2,0,0,0,0|1,0,1]=4 1251 B13R2.135 Cc1c(c2ccccc2[nH]1)C=O TS55444 [0,2,0,0,0,0|1,0,1]=4 1252 B13R2.135 Cc1c(c2ccccc2s1)CCl TS53780 [0,2,0,0,0,0|1,1,0]=4 1253 B13R2.135 Cc1c(n2ccccc2n1)C=O TS42154 [0,2,0,0,0,0|2,0,0]=4 1254 B13R2.135 Cc1c(n2ccccc2n1)CO TS11567 [0,2,0,0,0,0|2,0,0]=4 1255 B13R2.135 Cn1c(c2ccccc2n1)C=O TS59970 [0,2,0,0,0,0|2,0,0]=4 1256 B13R2.135 Cn1c(c2ccccc2n1)CO TS86631 [0,2,0,0,0,0|2,0,0]=4 1257 B13R2.3028 Cc1c([nH]c2c1cc(cc2)F)C TS32990 [0,2,0,0,0,0|1,0,1]=4 1258 B13R2.3028 Cc1c2cc(ccc2nn1C)Br TS88175 [0,2,0,0,0,0|2,0,0]=4 1259 B13R2.3028 Cc1c2cc(ccc2nn1C)I TS87168 [0,2,0,0,0,0|2,0,0]=4 1260 B13R2.3028 Cc1c2cc(ccc2nn1C)N TS90977 [0,2,0,0,0,0|2,0,0]=4 1261 B13R2.4825 Cc1c2cccc(c2nn1C)Br TS91693 [0,2,0,0,0,0|2,0,0]=4 1262 B13R2.4825 Cc1cccc2c1[nH]c(c2C)C TS42080 [0,2,0,0,0,0|1,0,1]=4 1263 B13R2.4856 Cc1c2c(cccc2Br)nn1C TS90075 [0,2,0,0,0,0|2,0,0]=4 1264 B13R2.5190 Cc1c2ccc(cc2nn1C)Br TS86363 [0,2,0,0,0,0|2,0,0]=4 1265 B13R2.5190 Cc1c2ccc(cc2nn1C)I TS90144 [0,2,0,0,0,0|2,0,0]=4 1266 B13R2.5190 Cc1c2ccc(cc2nn1C)N TS18526 [0,2,0,0,0,0|2,0,0]=4 1267 B13R2.5190 Cc1c2ccc(cc2nn1C)N TS89601 [0,2,0,0,0,0|2,0,0]=4 1268 B13R2.5190 Cc1nc2cc(ccc2n1C)Cl TS48015 [0,2,0,0,0,0|1,0,0]=3 1269 B13R2.26 B1(Oc2ccccc2O1)CCC TS42381 [0,2,0,0,0,0|2,0,0]=4 1270 B13R2.26 CCCC1=Cc2ccccc2C1 TS41950 [0,2,0,0,0,0|2,0,0]=4 1271 B13R2.26 CCCc1[nH]c2ccccc2n1 TS02463 [0,2,0,0,0,0|1,0,0]=3 1272 B13R2.26 CNCc1[nH]c2ccccc2n1 TS46491 [0,2,0,0,0,0|1,0,0]=3 1273 B13R2.26 CNCc1cn2ccccc2n1 TS11425 [0,2,0,0,0,0|2,0,0]=4 1274 B13R2.26 CNCc1nc2ccccc2o1 TS11571 [0,2,0,0,0,0|0,0,0]=2 1275 B13R2.26 CNCc1nc2ccccc2s1 TS14264 [0,2,0,0,0,0|0,1,0]=3 1276 B13R2.26 C[NH2+]Cc1cc2ccccc2s1 TS44425 [0,2,0,0,0,0|1,1,0]=4 1277 B13R2.26 c1cc2c(nc1)nc([nH]2)CCN TS42468 [0,2,0,0,0,0|2,0,0]=4 1278 B13R2.26 c1ccc2c(c1)[nH]c(n2)CC#N TS81057 [0,2,0,0,0,0|1,0,0]=3 1279 B13R2.26 c1ccc2c(c1)[nH]c(n2)CCBr TS23958 [0,2,0,0,0,0|1,0,0]=3 1280 B13R2.26 c1ccc2c(c1)[nH]c(n2)CCCl TS48017 [0,2,0,0,0,0|1,0,0]=3 1281 B13R2.26 c1ccc2c(c1)[nH]c(n2)CCN TS42325 [0,2,0,0,0,0|1,0,0]=3 1282 B13R2.26 c1ccc2c(c1)[nH]c(n2)CCO TS22975 [0,2,0,0,0,0|1,0,0]=3 1283 B13R2.26 c1ccc2c(c1)cc(s2)CCCl TS53779 [0,2,0,0,0,0|1,1,0]=4 1284 B13R2.26 c1ccc2c(c1)cc(s2)CCO TS14256 [0,2,0,0,0,0|1,1,0]=4 1285 B13R2.26 c1ccc2c(c1)nc(s2)CC#N TS45803 [0,2,0,0,0,0|0,1,0]=3 1286 B13R2.26 c1ccc2c(c1)nn(n2)CCN TS42467 [0,2,0,0,0,0|2,0,0]=4 1287 B13R2.26 c1ccn2cc(nc2c1)CCN TS11424 [0,2,0,0,0,0|2,0,0]=4 1288 B13R2.26 c1ccn2cc(nc2c1)CNN TS42462 [0,2,0,0,0,0|2,0,0]=4 1289 B13R2.43 CSc1[nH]c2cc(ccc2n1)Cl TS18741 [0,2,0,0,0,0|1,0,0]=3 1290 B13R2.43 CSc1nc2cc(ccc2s1)Cl TS21952 [0,2,0,0,0,0|0,1,0]=3 1291 B13R2.43 CSc1nc2ccc(cc2s1)N TS18329 [0,2,0,0,0,0|0,1,0]=3 1292 B13R2.43 Cc1ccc2c(c1)[nH]c(n2)CO TS11569 [0,2,0,0,0,0|1,0,0]=3 1293 B13R2.43 Cc1ccc2c(c1)cc(s2)CO TS14255 [0,2,0,0,0,0|1,1,0]=4 1294 B13R2.43 Cc1ccc2c(c1)oc(n2)CCl TS14852 [0,2,0,0,0,0|0,0,0]=2 1295 B13R2.43 Cc1ccc2c(c1)sc(n2)NN TS14446 [0,2,0,0,0,0|1,1,0]=4 1296 B13R2.43 Cc1ccc2nc(cn2c1)CCl TS48013 [0,2,0,0,0,0|2,0,0]=4 1297 B13R2.43 Cc1ccn2cc(nc2c1)CCl TS48012 [0,2,0,0,0,0|2,0,0]=4 1298 B13R2.43 c1cc2c(cc1Br)cc(o2)C=O TS52115 [0,2,0,0,0,0|1,0,1]=4 1299 B13R2.43 c1cc2c(cc1Br)cc(o2)CCl TS27355 [0,2,0,0,0,0|1,0,0]=3 1300 B13R2.43 c1cc2c(cc1Br)cc(o2)CO TS24312 [0,2,0,0,0,0|1,0,0]=3 1301 B13R2.43 c1cc2c(cc1Br)nc(o2)C=O TS24093 [0,2,0,0,0,0|0,0,1]=3 1302 B13R2.43 c1cc2c(cc1Br)nc(s2)C=O TS59721 [0,2,0,0,0,0|0,1,1]=4 1303 B13R2.43 c1cc2c(cc1Br)oc(n2)C=O TS24094 [0,2,0,0,0,0|0,0,1]=3 1304 B13R2.43 c1cc2c(cc1Br)sc(n2)NN TS27110 [0,2,0,0,0,0|1,1,0]=4 1305 B13R2.43 c1cc2c(cc1Cl)[nH]c(n2)CN TS32839 [0,2,0,0,0,0|1,0,0]=3 1306 B13R2.43 c1cc2c(cc1Cl)cc([nH]2)CN TS48016 [0,2,0,0,0,0|1,0,1]=4 1307 B13R2.43 c1cc2c(cc1Cl)nc(o2)C=O TS48141 [0,2,0,0,0,0|0,0,1]=3 1308 B13R2.43 c1cc2c(cc1Cl)sc(n2)NN TS18907 [0,2,0,0,0,0|1,1,0]=4 1309 B13R2.43 c1cc2c(cc1F)cc([nH]2)CN TS42719 [0,2,0,0,0,0|1,0,1]=4 1310 B13R2.43 c1cc2c(cc1F)sc(n2)NN TS48428 [0,2,0,0,0,0|1,1,0]=4 1311 B13R2.43 c1cc2c(cc1N)nc([nH]2)CO TS42583 [0,2,0,0,0,0|1,0,0]=3 1312 B13R2.43 c1cc2c(cc1O)sc(n2)C#N TS55299 [0,2,0,0,0,0|0,1,1]=4 1313 B13R2.43 c1cc2nc(cn2cc1Br)CCl TS27356 [0,2,0,0,0,0|2,0,0]=4 1314 B13R2.43 c1cc2nc(cn2cc1Cl)CCl TS38036 [0,2,0,0,0,0|2,0,0]=4 1315 B13R2.43 c1cc2nc(cn2cc1I)CCl TS58319 [0,2,0,0,0,0|2,0,0]=4 1316 B13R2.54 CCc1cc2c([nH]1)cccc2O TS11409 [0,2,0,0,0,0|1,0,1]=4 1317 B13R2.54 Cc1cccc2c1nc(s2)NN TS14447 [0,2,0,0,0,0|1,1,0]=4 1318 B13R2.54 Cc1cccc2n1cc(n2)CCl TS48018 [0,2,0,0,0,0|2,0,0]=4 1319 B13R2.54 Cc1cccn2c1nc(c2)CCl TS48011 [0,2,0,0,0,0|2,0,0]=4 1320 B13R2.54 Cc1cccn2c1nc(c2)CO TS42458 [0,2,0,0,0,0|2,0,0]=4 1321 B13R2.54 c1cc(c2nc(cn2c1)CCl)Cl TS38035 [0,2,0,0,0,0|2,0,0]=4 1322 B13R2.54 c1cc2c(c(c1)Br)nc(o2)C=O TS52260 [0,2,0,0,0,0|0,0,1]=3 1323 B13R2.54 c1cc2c(c(c1)Br)oc(n2)C=O TS52261 [0,2,0,0,0,0|0,0,1]=3 1324 B13R2.54 c1cc2nc(cn2c(c1)Br)CCl TS27357 [0,2,0,0,0,0|2,0,0]=4 1325 B13R2.54 c1cc2nc(cn2c(c1)F)CCl TS48655 [0,2,0,0,0,0|2,0,0]=4 1326 B13R2.435 B(c1cc2ccccc2o1)(O)O TS42372 [0,2,0,0,0,0|2,0,0]=4 1327 B13R2.435 B(c1nc2ccccc2s1)(O)O TS47652 [0,2,0,0,0,0|1,1,0]=4 1328 B13R2.435 CC(=O)c1[nH]c2ccccc2n1 TS11248 [0,2,0,0,0,0|1,0,0]=3 1329 B13R2.435 CC(=O)c1cc2ccccc2o1 TS42132 [0,2,0,0,0,0|1,0,0]=3 1330 B13R2.435 CC(=O)c1cc2ccccc2s1 TS08257 [0,2,0,0,0,0|1,1,0]=4 1331 B13R2.435 CC(=O)c1nc2ccccc2s1 TS46299 [0,2,0,0,0,0|0,1,0]=3 1332 B13R2.435 CC(C)c1[nH]c2ccccc2n1 TS07960 [0,2,0,0,0,0|1,0,0]=3 1333 B13R2.435 CC(c1[nH]c2ccccc2n1)O TS11568 [0,2,0,0,0,0|1,0,0]=3 1334 B13R2.435 CC(c1cc2ccccc2s1)O TS47599 [0,2,0,0,0,0|1,1,0]=4 1335 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)Cl TS60211 [0,2,0,0,0,0|1,0,1]=4 1336 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)O TS11516 [0,2,0,0,0,0|1,0,1]=4 1337 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)Cl TS47998 [0,2,0,0,0,0|1,0,1]=4 1338 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O TS55759 [0,2,0,0,0,0|1,0,1]=4 1339 B13R2.435 c1ccc2c(c1)nc(o2)C(=O)O TS42537 [0,2,0,0,0,0|0,0,1]=3 1340 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)Cl TS53922 [0,2,0,0,0,0|0,1,1]=4 1341 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)O TS47709 [0,2,0,0,0,0|0,1,1]=4 1342 B13R2.3051 CC1(Oc2ccc(cc2O1)N)C TS19286 [0,2,0,0,0,0|1,0,1]=4 1343 B13R2.4826 CC1(Cc2cccc(c2O1)O)C TS11845 [0,2,0,0,0,0|1,0,1]=4 1344 B13R2.581 CCc1cccc2c1nc(o2)S TS47772 [0,2,0,0,0,0|1,0,0]=3 1345 B13R2.581 COc1cccc2c1nc(s2)N TS47404 [0,2,0,0,0,0|1,1,0]=4 1346 B13R2.581 Cn1cc2c(cccc2n1)C#N TS91691 [0,2,0,0,0,0|2,0,0]=4 1347 B13R2.581 Cn1cc2c(cccc2n1)C=O TS87945 [0,2,0,0,0,0|2,0,0]=4 1348 B13R2.581 Cn1cc2c(cccc2n1)CN TS88975 [0,2,0,0,0,0|2,0,0]=4 1349 B13R2.581 Cn1cc2c(cccc2n1)CO TS90074 [0,2,0,0,0,0|2,0,0]=4 1350 B13R2.581 Cn1cc2cccc(c2n1)C#N TS86758 [0,2,0,0,0,0|2,0,0]=4 1351 B13R2.581 Cn1cc2cccc(c2n1)C=O TS91825 [0,2,0,0,0,0|2,0,0]=4 1352 B13R2.581 Cn1cc2cccc(c2n1)CBr TS87588 [0,2,0,0,0,0|2,0,0]=4 1353 B13R2.581 Cn1cc2cccc(c2n1)CN TS90068 [0,2,0,0,0,0|2,0,0]=4 1354 B13R2.581 Cn1cc2cccc(c2n1)CN TS92068 [0,2,0,0,0,0|2,0,0]=4 1355 B13R2.581 Cn1cc2cccc(c2n1)CO TS90466 [0,2,0,0,0,0|2,0,0]=4 1356 B13R2.3050 Cc1cc2c([nH]1)ccc(c2F)F TS77114 [0,2,0,0,0,0|1,0,1]=4 1357 B13R2.3050 Cc1cc2c([nH]1)ccc(c2F)N TS42722 [0,2,0,0,0,0|1,0,1]=4 1358 B13R2.3050 Cc1cc2c([nH]1)ccc(c2F)O TS60406 [0,2,0,0,0,0|1,0,1]=4 1359 B13R2.3050 Cc1ccc2c(c1C)nc(s2)C TS14091 [0,2,0,0,0,0|0,1,0]=3 1360 B13R2.3050 c1cc(c(c2c1sc(n2)Br)Cl)Cl TS34494 [0,2,0,0,0,0|1,1,0]=4 1361 B13R2.3050 c1cc(c(c2c1sc(n2)N)Cl)Cl TS49558 [0,2,0,0,0,0|1,1,0]=4 1362 B13R2.5139 Cc1ccc(c2c1nc(s2)Cl)Cl TS22334 [0,2,0,0,0,0|1,1,0]=4 1363 B13R2.5139 c1cc(c2c(c1Cl)nc(s2)Br)Cl TS34493 [0,2,0,0,0,0|1,1,0]=4 1364 B13R2.5397 Cc1cc(c2c(c1)[nH]c(n2)N)C TS42329 [0,2,0,0,0,0|2,0,0]=4 1365 B13R2.5397 Cc1cc(c2c(c1)cc(s2)C)C TS46184 [0,2,0,0,0,0|1,1,0]=4 1366 B13R2.5397 Cc1cc2c([nH]1)cc(cc2Cl)Cl TS37840 [0,2,0,0,0,0|1,0,1]=4 1367 B13R2.5397 c1c(cc(c2c1nc(s2)Cl)F)F TS20056 [0,2,0,0,0,0|1,1,0]=4 1368 B13R2.5397 c1c(cc(c2c1nc(s2)N)F)F TS15582 [0,2,0,0,0,0|1,1,0]=4 1369 B13R2.5397 c1c(cc(c2c1sc(n2)N)Cl)Cl TS39255 [0,2,0,0,0,0|1,1,0]=4 1370 B13R2.5397 c1c(cc2c(c1F)nc(s2)Cl)F TS00875 [0,2,0,0,0,0|1,1,0]=4 1371 B13R2.5397 c1c(cc2c(c1F)nc(s2)N)F TS15583 [0,2,0,0,0,0|1,1,0]=4 1372 B13R2.2121 COc1ccc2=NC(=O)N=c2c1 TS42704 [0,2,0,0,0,0|2,0,0]=4 1373 B13R2.2121 COc1ccc2c(c1)[nH]c(n2)Cl TS48360 [0,2,0,0,0,0|2,0,0]=4 1374 B13R2.2121 COc1ccc2c(c1)sc(n2)Br TS08365 [0,2,0,0,0,0|1,1,0]=4 1375 B13R2.2121 COc1ccc2c(c1)sc(n2)Cl TS55268 [0,2,0,0,0,0|1,1,0]=4 1376 B13R2.2121 COc1ccc2c(c1)sc(n2)N TS47455 [0,2,0,0,0,0|1,1,0]=4 1377 B13R2.2121 Cc1[nH]c2cc(ccc2n1)OC TS11556 [0,2,0,0,0,0|1,0,0]=3 1378 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC TS08757 [0,2,0,0,0,0|1,0,1]=4 1379 B13R2.2121 Cc1nc2cc(ccc2[se]1)OC TS24130 [0,2,0,0,0,0|0,1,0]=3 1380 B13R2.2121 Cc1nc2cc(ccc2o1)OC TS11697 [0,2,0,0,0,0|0,0,0]=2 1381 B13R2.2121 Cc1nc2cc(ccc2s1)OC TS39284 [0,2,0,0,0,0|0,1,0]=3 1382 B13R2.2121 Cc1nc2cc(ccc2s1)SC TS52063 [0,2,0,0,0,0|0,1,0]=3 1383 B13R2.2121 Cc1nc2ccc(cc2s1)OC TS14444 [0,2,0,0,0,0|0,1,0]=3 1384 B13R2.2121 Cn1cc2cc(ccc2n1)C#N TS87486 [0,2,0,0,0,0|2,0,0]=4 1385 B13R2.2121 Cn1cc2cc(ccc2n1)C=O TS89433 [0,2,0,0,0,0|2,0,0]=4 1386 B13R2.2121 Cn1cc2cc(ccc2n1)CN TS86759 [0,2,0,0,0,0|2,0,0]=4 1387 B13R2.2121 Cn1cc2cc(ccc2n1)CO TS85749 [0,2,0,0,0,0|2,0,0]=4 1388 B13R2.2121 Cn1cc2ccc(cc2n1)C#N TS87487 [0,2,0,0,0,0|2,0,0]=4 1389 B13R2.2121 Cn1cc2ccc(cc2n1)C=O TS85890 [0,2,0,0,0,0|2,0,0]=4 1390 B13R2.2121 Cn1cc2ccc(cc2n1)CN TS87474 [0,2,0,0,0,0|2,0,0]=4 1391 B13R2.2121 Cn1cc2ccc(cc2n1)CO TS91692 [0,2,0,0,0,0|2,0,0]=4 1392 B13R2.2121 c1cc2c(cc1C#N)[nH]c(n2)Cl TS00909 [0,2,0,0,0,0|2,0,0]=4 1393 B13R2.2121 c1cc2c(cc1C#N)nc([nH]2)N TS41885 [0,2,0,0,0,0|2,0,0]=4 1394 B13R2.2121 c1cc2c(cc1C#N)sc(n2)Cl TS55273 [0,2,0,0,0,0|1,1,0]=4 1395 B13R2.2121 c1cc2c(cc1C#N)sc(n2)N TS47466 [0,2,0,0,0,0|1,1,0]=4 1396 B13R2.13083 Cc1[nH]c2cc(c(cc2n1)Cl)Cl TS38034 [0,2,0,0,0,0|1,0,0]=3 1397 B13R2.13083 Cc1cc2c(cc1C)[se]c(n2)C TS23792 [0,2,0,0,0,0|0,1,0]=3 1398 B13R2.13083 Cc1cc2c(cc1C)nc([nH]2)C TS11289 [0,2,0,0,0,0|1,0,0]=3 1399 B13R2.13083 Cc1cc2c(cc1C)nc([nH]2)Cl TS48010 [0,2,0,0,0,0|2,0,0]=4 1400 B13R2.13083 Cc1cc2c(cc1C)nc([nH]2)N TS11421 [0,2,0,0,0,0|2,0,0]=4 1401 B13R2.13083 Cc1cc2c(cc1C)oc(n2)C TS11402 [0,2,0,0,0,0|0,0,0]=2 1402 B13R2.13083 Cc1cc2c(cc1C)sc(n2)C TS14085 [0,2,0,0,0,0|0,1,0]=3 1403 B13R2.13083 Cc1cc2c(cc1C)sc(n2)N TS14265 [0,2,0,0,0,0|1,1,0]=4 1404 B13R2.13083 Cc1cc2c(cc1Cl)[nH]c(=O)o2 TS48472 [0,2,0,0,0,0|1,0,1]=4 1405 B13R2.13083 Cc1nc2cc(c(cc2o1)N)Cl TS02167 [0,2,0,0,0,0|0,0,0]=2 1406 B13R2.13083 Cn1cc2cc(c(cc2n1)Br)O TS92559 [0,2,0,0,0,0|2,0,0]=4 1407 B13R2.13083 c1c2c(cc(c1Br)Br)nc([nH]2)I TS69309 [0,2,0,0,0,0|2,0,0]=4 1408 B13R2.13083 c1c2c(cc(c1Cl)Br)oc(=O)[nH]2 TS62633 [0,2,0,0,0,0|1,0,1]=4 1409 B13R2.13083 c1c2c(cc(c1Cl)Cl)nc([nH]2)Br TS93296 [0,2,0,0,0,0|2,0,0]=4 1410 B13R2.13083 c1c2c(cc(c1Cl)Cl)nc([nH]2)Cl TS00657 [0,2,0,0,0,0|2,0,0]=4 1411 B13R2.13083 c1c2c(cc(c1Cl)Cl)nc([nH]2)N TS19309 [0,2,0,0,0,0|2,0,0]=4 1412 B13R2.13083 c1c2c(cc(c1Cl)F)nc([nH]2)N TS15505 [0,2,0,0,0,0|2,0,0]=4 1413 B13R2.13083 c1c2c(cc(c1Cl)O)oc(=O)[nH]2 TS15501 [0,2,0,0,0,0|1,0,1]=4 1414 B13R2.13083 c1c2c(cc(c1F)Cl)nc([nH]2)S TS19481 [0,2,0,0,0,0|2,0,0]=4 1415 B13R2.13083 c1c2c(cc(c1F)F)sc(n2)N TS15584 [0,2,0,0,0,0|1,1,0]=4 1416 B11R2.20 c1ccc2c(c1)CCC=C2 TS36512 [0,0,1,1,0,0|2,0,0]=4 1417 B11R2.20 c1ccc2c(c1)CNCO2 TS36914 [0,0,1,1,0,0|2,0,0]=4 1418 B11R2.20 c1ccc2c(c1)NCCO2 TS45382 [0,0,1,1,0,0|0,0,2]=4 1419 B11R2.20 c1ccc2c(c1)NCCO2 TS81066 [0,0,1,1,0,0|0,0,2]=4 1420 B11R2.20 c1ccc2c(c1)OCCO2 TS00382 [0,0,1,1,0,0|1,0,1]=4 1421 B11R2.20 c1ccc2c(c1)cccn2 TS05460 [0,0,1,1,0,0|1,0,1]=4 1422 B11R2.20 c1ccc2c(c1)cccn2 TS12108 [0,0,1,1,0,0|1,0,1]=4 1423 B11R2.20 c1ccc2c(c1)cccn2 TS77676 [0,0,1,1,0,0|1,0,1]=4 1424 B11R2.20 c1ccc2c(c1)ccnn2 TS36485 [0,0,1,1,0,0|2,0,0]=4 1425 B11R2.20 c1ccc2c(c1)cncn2 TS39940 [0,0,1,1,0,0|2,0,0]=4 1426 B11R2.20 c1ccc2c(c1)nccn2 TS36484 [0,0,1,1,0,0|1,0,1]=4 1427 B11R2.4 C[C@@H]1[C@H](O1)c2ccccc2 TS05905 [0,0,1,1,0,0|1,0,1]=4 1428 B11R2.4 C[C@H]1[C@@H](O1)c2ccccc2 TS36853 [0,0,1,1,0,0|1,0,1]=4 1429 B9R1.6 B(c1ccccc1)(O)O TS59339 [0,0,1,0,1,0|2,0,0]=4 1430 B9R1.6 C=C(c1ccccc1)Br TS48375 [0,0,1,0,1,0|1,0,1]=4 1431 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [0,0,1,0,1,0|1,0,1]=4 1432 B9R1.6 CC(=C)c1ccccc1 TS32349 [0,0,1,0,1,0|1,0,0]=3 1433 B9R1.6 CC(=O)c1ccccc1 TS32455 [0,0,1,0,1,0|0,0,1]=3 1434 B9R1.6 CC(=O)c1ccccc1 TS32456 [0,0,1,0,1,0|0,0,1]=3 1435 B9R1.6 CC(=O)c1ccccc1 TS38236 [0,0,1,0,1,0|0,0,1]=3 1436 B9R1.6 CC(=O)c1ccccc1 TS55713 [0,0,1,0,1,0|0,0,1]=3 1437 B9R1.6 CC(=O)c1ccccn1 TS04861 [0,0,1,0,1,0|1,0,1]=4 1438 B9R1.6 CC(=O)c1cccnc1 TS65831 [0,0,1,0,1,0|1,0,1]=4 1439 B9R1.6 CC(=O)c1ccncc1 TS02952 [0,0,1,0,1,0|1,0,1]=4 1440 B9R1.6 CC(c1ccccc1)Cl TS37453 [0,0,1,0,1,0|1,0,1]=4 1441 B9R1.6 CC(c1ccccc1)N TS55879 [0,0,1,0,1,0|0,0,2]=4 1442 B9R1.6 CC(c1ccccc1)O TS04908 [0,0,1,0,1,0|0,0,1]=3 1443 B9R1.6 CC(c1ccccn1)O TS08930 [0,0,1,0,1,0|1,0,1]=4 1444 B9R1.6 CN(C)c1ccccc1 TS56353 [0,0,1,0,1,0|2,0,0]=4 1445 B9R1.6 CN(c1ccccc1)N TS46980 [0,0,1,0,1,0|1,0,1]=4 1446 B9R1.6 CP(C)c1ccccc1 TS37178 [0,0,1,0,1,0|2,0,0]=4 1447 B9R1.6 CP(C)c1ccccc1 TS75399 [0,0,1,0,1,0|2,0,0]=4 1448 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [0,0,1,0,1,0|0,0,2]=4 1449 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [0,0,1,0,1,0|0,0,1]=3 1450 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [0,0,1,0,1,0|1,0,1]=4 1451 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [0,0,1,0,1,0|1,0,1]=4 1452 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [0,0,1,0,1,0|1,0,1]=4 1453 B9R1.6 C[C@H](c1ccccc1)N TS00310 [0,0,1,0,1,0|0,0,2]=4 1454 B9R1.6 C[C@H](c1ccccc1)N TS29339 [0,0,1,0,1,0|0,0,2]=4 1455 B9R1.6 C[C@H](c1ccccc1)O TS04906 [0,0,1,0,1,0|0,0,1]=3 1456 B9R1.6 C[C@H](c1ccccn1)O TS04976 [0,0,1,0,1,0|1,0,1]=4 1457 B9R1.6 C[C@H](c1cccnc1)O TS04956 [0,0,1,0,1,0|1,0,1]=4 1458 B9R1.6 C[C@H](c1ccncc1)O TS39982 [0,0,1,0,1,0|1,0,1]=4 1459 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [0,0,1,0,1,0|1,1,0]=4 1460 B9R1.6 c1c[nH+]ccc1C(=N)N TS02953 [0,0,1,0,1,0|2,0,0]=4 1461 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [0,0,1,0,1,0|2,0,0]=4 1462 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [0,0,1,0,1,0|2,0,0]=4 1463 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [0,0,1,0,1,0|1,0,0]=3 1464 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [0,0,1,0,1,0|1,0,0]=3 1465 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [0,0,1,0,1,0|1,0,0]=3 1466 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [0,0,1,0,1,0|1,0,1]=4 1467 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [0,0,1,0,1,0|1,0,1]=4 1468 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [0,0,1,0,1,0|1,0,1]=4 1469 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [0,0,1,0,1,0|1,0,1]=4 1470 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [0,0,1,0,1,0|1,0,0]=3 1471 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [0,0,1,0,1,0|1,0,0]=3 1472 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [0,0,1,0,1,0|1,0,0]=3 1473 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [0,0,1,0,1,0|1,0,0]=3 1474 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [0,0,1,0,1,0|1,0,0]=3 1475 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [0,0,1,0,1,0|1,0,1]=4 1476 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [0,0,1,0,1,0|1,0,1]=4 1477 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [0,0,1,0,1,0|1,0,1]=4 1478 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [0,0,1,0,1,0|1,0,1]=4 1479 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [0,0,1,0,1,0|1,0,1]=4 1480 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [0,0,1,0,1,0|1,0,1]=4 1481 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [0,0,1,0,1,0|1,0,0]=3 1482 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [0,0,1,0,1,0|2,0,0]=4 1483 B9R1.6 c1ccnc(c1)C(=N)N TS10924 [0,0,1,0,1,0|2,0,0]=4 1484 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [0,0,1,0,1,0|2,0,0]=4 1485 B9R1.6 c1cnccc1C(=N)N TS01862 [0,0,1,0,1,0|2,0,0]=4 1486 B9R1.6 c1cnccc1C(=O)O TS01508 [0,0,1,0,1,0|2,0,0]=4 1487 B9R2.50 c1ccc2c(c1)CC2 TS04044 [1,0,0,0,1,0|1,0,1]=4 1488 B11R1.91 CC(=C)COc1ccccc1 TS07455 [0,0,1,0,0,1|1,0,0]=3 1489 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [0,0,1,0,0,1|1,1,0]=4 1490 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [0,0,1,0,0,1|1,0,0]=3 1491 B11R1.91 CC(=NNc1ccccc1)C TS40667 [0,0,1,0,0,1|1,0,0]=3 1492 B11R1.91 CC(=O)C#Cc1ccccc1 TS39336 [0,0,1,0,0,1|1,0,1]=4 1493 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [0,0,1,0,0,1|1,0,1]=4 1494 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [0,0,1,0,0,1|1,0,1]=4 1495 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [0,0,1,0,0,1|1,0,1]=4 1496 B11R1.91 CC(=O)COc1ccccc1 TS40853 [0,0,1,0,0,1|1,0,0]=3 1497 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [0,0,1,0,0,1|1,0,1]=4 1498 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [0,0,1,0,0,1|0,0,2]=4 1499 B11R1.91 CC(=O)NNc1ccccc1 TS09877 [0,0,1,0,0,1|0,0,2]=4 1500 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [0,0,1,0,0,1|1,0,0]=3 1501 B11R1.91 CC(=O)OCc1ccccn1 TS41002 [0,0,1,0,0,1|2,0,0]=4 1502 B11R1.91 CC(=O)OCc1ccncc1 TS40990 [0,0,1,0,0,1|2,0,0]=4 1503 B11R1.91 CC(=O)O[Hg]c1ccccc1 TS64055 [0,0,1,0,0,1|1,0,0]=3 1504 B11R1.91 CC(=O)O[Hg]c1ccccn1 TS78341 [0,0,1,0,0,1|2,0,0]=4 1505 B11R1.91 CC(=O)SSc1ccccc1 TS74797 [0,0,1,0,0,1|1,0,1]=4 1506 B11R1.91 CC(C#Cc1ccccc1)O TS07215 [0,0,1,0,0,1|1,0,1]=4 1507 B11R1.91 CC(C)N=Cc1ccccc1 TS40563 [0,0,1,0,0,1|1,0,1]=4 1508 B11R1.91 CC(CCc1ccccc1)O TS09764 [0,0,1,0,0,1|1,0,1]=4 1509 B11R1.91 CC(COc1ccccc1)Cl TS45253 [0,0,1,0,0,1|1,0,1]=4 1510 B11R1.91 CC(COc1ccccc1)N TS41032 [0,0,1,0,0,1|0,0,2]=4 1511 B11R1.91 CN(C)C=Nc1ccccc1 TS40682 [0,0,1,0,0,1|2,0,0]=4 1512 B11R1.91 CN(C)N=Cc1ccccc1 TS40662 [0,0,1,0,0,1|2,0,0]=4 1513 B11R1.91 c1ccc(cc1)C#CC(=O)O TS07173 [0,0,1,0,0,1|2,0,0]=4 1514 B11R1.91 c1ccc(cc1)C=CC(=O)O TS07414 [0,0,1,0,0,1|2,0,0]=4 1515 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [0,0,1,0,0,1|2,0,0]=4 1516 B11R1.91 c1ccc(cc1)CNC(=N)N TS80918 [0,0,1,0,0,1|2,0,0]=4 1517 B11R1.91 c1ccc(cc1)COC(=O)Cl TS01383 [0,0,1,0,0,1|2,0,0]=4 1518 B11R1.91 c1ccc(cc1)COC(=O)N TS01381 [0,0,1,0,0,1|1,0,1]=4 1519 B11R1.91 c1ccc(cc1)CSC(=N)N TS19496 [0,0,1,0,0,1|1,1,0]=4 1520 B11R1.91 c1ccc(cc1)NCC(=O)O TS10023 [0,0,1,0,0,1|1,0,1]=4 1521 B11R1.91 c1ccc(cc1)OCC(=N)N TS15733 [0,0,1,0,0,1|1,0,0]=3 1522 B11R1.91 c1ccc(cc1)OCC(=O)Cl TS12910 [0,0,1,0,0,1|2,0,0]=4 1523 B11R1.91 c1ccc(cc1)OCC(=O)N TS40989 [0,0,1,0,0,1|1,0,1]=4 1524 B11R1.91 c1ccc(cc1)OCC(=O)O TS10139 [0,0,1,0,0,1|2,0,0]=4 1525 B11R1.91 c1ccc(cc1)OCC(=O)O TS32941 [0,0,1,0,0,1|2,0,0]=4 1526 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS13444 [0,0,1,0,0,1|2,0,0]=4 1527 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS51409 [0,0,1,0,0,1|2,0,0]=4 1528 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS63445 [0,0,1,0,0,1|2,0,0]=4 1529 B11R1.91 c1ccc(cc1)OCC(=S)N TS12410 [0,0,1,0,0,1|1,0,1]=4 1530 B11R1.91 c1ccc(cc1)SCC(=N)N TS19495 [0,0,1,0,0,1|1,1,0]=4 1531 B11R2.18 c1ccc-2cccc2cc1 TS05354 [1,0,0,0,0,1|2,0,0]=4