0 B13R2.64 c1ccc(cc1)CC2=NCCN2 TS11292 [0,0,0,0,0,0|0,0,2]=2 1 B13R2.64 c1ccc(cc1)CC2=NCCN2 TS53778 [0,0,0,0,0,0|0,0,2]=2 2 B13R2.64 c1ccc(cc1)CC2CCCN2 TS42354 [0,0,0,0,0,0|1,0,3]=4 3 B13R2.64 c1ccc(cc1)CN2CC=CC2 TS46853 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.64 c1ccc(cc1)C[n+]2ccsc2 TS28877 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.64 c1ccc(cc1)Cc2[nH]nnn2 TS42164 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.64 c1ccc(cc1)Cn2cccc2 TS41805 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.64 c1ccc(cc1)Cn2cccn2 TS41918 [0,0,0,0,0,0|2,0,0]=2 8 B13R2.64 c1ccc(cc1)Cn2ccnc2 TS41925 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.64 c1ccc(cc1)Cn2cncn2 TS42062 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.64 c1ccc(cc1)Nc2nnns2 TS14206 [0,0,0,0,0,0|4,0,0]=4 11 B13R2.64 c1ccc(cc1)Oc2ccsc2 TS13884 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.64 c1ccn(c1)Cc2cccnc2 TS41913 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.64 c1ccnc(c1)Cc2ccco2 TS11126 [0,0,0,0,0,0|3,0,0]=3 14 B14R2.19 c1ccc(cc1)CC2=NC(=S)SC2 TS20426 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.19 c1ccc(cc1)C[C@@H]2COC(=S)N2 TS51691 [0,1,0,0,0,0|2,0,1]=4 16 B14R2.19 c1ccc(cc1)C[C@@H]2CSC(=S)N2 TS20783 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.19 c1ccc(cc1)C[C@H]2COC(=O)N2 TS94228 [0,1,0,0,0,0|2,0,1]=4 18 B14R2.19 c1ccc(cc1)C[C@H]2COC(=S)N2 TS51695 [0,1,0,0,0,0|2,0,1]=4 19 B14R2.19 c1ccc(cc1)C[C@H]2CSC(=O)N2 TS51694 [0,1,0,0,0,0|2,0,1]=4 20 B14R2.19 c1ccc(cc1)C[C@H]2CSC(=S)N2 TS32848 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.19 c1ccc(cc1)Cc2[nH]c(nn2)N TS13529 [0,1,0,0,0,0|1,0,0]=2 22 B14R2.19 c1ccc(cc1)Cc2nnc(o2)N TS45958 [0,1,0,0,0,0|2,0,0]=3 23 B14R2.19 c1ccc(cc1)Cn2cc(cn2)I TS64990 [0,1,0,0,0,0|2,0,0]=3 24 B14R2.19 c1ccc(cc1)NC2=NC(=O)CS2 TS17497 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.19 c1ccc(cc1)Nc2nc(ns2)N TS51486 [0,1,0,0,0,0|3,0,0]=4 26 B14R2.30 c1ccc(cc1)Cn2c(ccn2)N TS13371 [0,1,0,0,0,0|2,0,0]=3 27 B14R2.50 c1ccc(c(c1)Cc2n[nH]nn2)Br TS26314 [0,1,0,0,0,0|2,0,1]=4 28 B14R2.50 c1ccc(c(c1)Cc2n[nH]nn2)Cl TS51934 [0,1,0,0,0,0|2,0,1]=4 29 B14R2.72 c1cc(ccc1CC2=NCCC2)F TS46286 [0,1,0,0,0,0|1,0,2]=4 30 B14R2.72 c1cc(ccc1Cc2n[nH]nn2)Br TS26312 [0,1,0,0,0,0|2,0,1]=4 31 B14R2.72 c1cc(ccc1Cc2n[nH]nn2)Cl TS51936 [0,1,0,0,0,0|2,0,1]=4 32 B14R2.72 c1cc(ccc1Cn2cncn2)N TS21035 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.72 c1cc(ccc1Cn2cncn2)N TS70850 [0,1,0,0,0,0|3,0,0]=4 34 B14R2.72 c1cc(ccc1Cn2cncn2)O TS45961 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.72 c1cc(sc1)[I+]c2ccc(cc2)Cl TS79370 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.72 c1cnn(c1)Cc2ccc(cc2)N TS45651 [0,1,0,0,0,0|2,0,0]=3 37 B14R2.114 c1ccc(cc1)C(=O)c2[nH]ccn2 TS13150 [0,1,0,0,0,0|0,0,1]=2 38 B14R2.114 c1ccc(cc1)C(=O)c2ccc[nH]2 TS45307 [0,1,0,0,0,0|1,0,1]=3 39 B14R2.114 c1ccc(cc1)C(=O)c2cccs2 TS16022 [0,1,0,0,0,0|2,0,1]=4 40 B14R2.114 c1ccc(cc1)C(c2[nH]ccn2)O TS13511 [0,1,0,0,0,0|0,0,0]=1 41 B14R2.114 c1ccc(cc1)C(c2ccco2)N TS20817 [0,1,0,0,0,0|2,0,0]=3 42 B14R2.114 c1ccc(cc1)C(c2ccco2)O TS13491 [0,1,0,0,0,0|2,0,0]=3 43 B14R2.114 c1ccc(cc1)C(c2cccs2)N TS52244 [0,1,0,0,0,0|2,0,0]=3 44 B14R2.114 c1ccc(cc1)C(c2cccs2)O TS17127 [0,1,0,0,0,0|2,0,0]=3 45 B14R2.716 c1cc(cc(c1)Br)Cc2n[nH]nn2 TS26313 [0,1,0,0,0,0|2,0,1]=4 46 B14R2.716 c1cc(cc(c1)N)Cn2cccn2 TS45659 [0,1,0,0,0,0|2,0,0]=3 47 B14R2.716 c1cc(cc(c1)N)Cn2cncn2 TS13524 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.8 CC=CCCCc1ccccc1 TS42215 [0,0,1,0,0,0|2,0,1]=4 49 B12R1.32 C=COC(=O)Cc1ccccc1 TS11548 [0,0,1,0,0,0|2,0,0]=3 50 B12R2.2 c1c[nH]nc1c2ccncc2 TS40306 [0,0,0,0,1,0|3,0,0]=4 51 B12R2.2 c1cc(cnc1)C2=NCCN2 TS40553 [0,0,0,0,1,0|1,0,2]=4 52 B12R2.2 c1cc(cnc1)c2c[nH]cn2 TS07098 [0,0,0,0,1,0|3,0,0]=4 53 B12R2.2 c1cc(cnc1)c2cccs2 TS42331 [0,0,0,0,1,0|3,0,0]=4 54 B12R2.2 c1cc(cnc1)c2nccs2 TS11573 [0,0,0,0,1,0|2,0,0]=3 55 B12R2.2 c1cc(cnc1)c2nnco2 TS40008 [0,0,0,0,1,0|3,0,0]=4 56 B12R2.2 c1ccc(cc1)C2=NCCN2 TS40432 [0,0,0,0,1,0|0,0,2]=3 57 B12R2.2 c1ccc(cc1)C2CC=NN2 TS40445 [0,0,0,0,1,0|2,0,1]=4 58 B12R2.2 c1ccc(cc1)c2[nH]ccn2 TS06961 [0,0,0,0,1,0|0,0,0]=1 59 B12R2.2 c1ccc(cc1)c2c[nH]cn2 TS40184 [0,0,0,0,1,0|2,0,0]=3 60 B12R2.2 c1ccc(cc1)c2c[nH]nn2 TS09763 [0,0,0,0,1,0|3,0,0]=4 61 B12R2.2 c1ccc(cc1)c2cc[nH]n2 TS32943 [0,0,0,0,1,0|2,0,0]=3 62 B12R2.2 c1ccc(cc1)c2ccc[nH]2 TS06875 [0,0,0,0,1,0|1,0,0]=2 63 B12R2.2 c1ccc(cc1)c2ccco2 TS06959 [0,0,0,0,1,0|2,0,0]=3 64 B12R2.2 c1ccc(cc1)c2cccs2 TS11300 [0,0,0,0,1,0|2,0,0]=3 65 B12R2.2 c1ccc(cc1)c2ccno2 TS07081 [0,0,0,0,1,0|3,0,0]=4 66 B12R2.2 c1ccc(cc1)c2ccns2 TS42330 [0,0,0,0,1,0|3,0,0]=4 67 B12R2.2 c1ccc(cc1)c2ccon2 TS07088 [0,0,0,0,1,0|2,0,0]=3 68 B12R2.2 c1ccc(cc1)c2ccsc2 TS11297 [0,0,0,0,1,0|3,0,0]=4 69 B12R2.2 c1ccc(cc1)c2cncs2 TS11439 [0,0,0,0,1,0|3,0,0]=4 70 B12R2.2 c1ccc(cc1)c2cscn2 TS42332 [0,0,0,0,1,0|2,0,0]=3 71 B12R2.2 c1ccc(cc1)c2csnn2 TS42479 [0,0,0,0,1,0|3,0,0]=4 72 B12R2.2 c1ccc(cc1)c2nccs2 TS11436 [0,0,0,0,1,0|1,0,0]=2 73 B12R2.2 c1ccc(cc1)c2nnco2 TS07969 [0,0,0,0,1,0|2,0,0]=3 74 B12R2.2 c1ccc(cc1)n2cccc2 TS06871 [0,0,0,0,1,0|3,0,0]=4 75 B12R2.2 c1ccc(cc1)n2cccn2 TS40183 [0,0,0,0,1,0|2,0,0]=3 76 B12R2.2 c1ccc(cc1)n2nccn2 TS40305 [0,0,0,0,1,0|1,0,1]=3 77 B12R2.2 c1ccnc(c1)c2[nH]ccn2 TS40302 [0,0,0,0,1,0|1,0,0]=2 78 B12R2.2 c1ccnc(c1)c2cc[nH]n2 TS77128 [0,0,0,0,1,0|3,0,0]=4 79 B12R2.2 c1ccnc(c1)c2cccs2 TS11437 [0,0,0,0,1,0|3,0,0]=4 80 B12R2.2 c1cnccc1C2=NCCN2 TS40557 [0,0,0,0,1,0|1,0,2]=4 81 B12R2.2 c1cnccc1c2[nH]nnn2 TS59698 [0,0,0,0,1,0|3,0,0]=4 82 B12R2.98 c1cc([nH]c1)Cc2ccc[nH]2 TS94908 [0,0,0,0,1,0|2,0,0]=3 83 B12R2.98 c1cc(sc1)Cc2cccs2 TS14676 [0,0,0,0,1,0|3,0,0]=4 84 B12R2.98 c1ccn(c1)Cc2ccco2 TS40517 [0,0,0,0,1,0|3,0,0]=4 85 B14R2.6 c1ccc(cc1)CN2CCC=CC2 TS88952 [0,0,0,0,0,1|3,0,0]=4 86 B14R2.6 c1ccc(cc1)Cc2ccccc2 TS01904 [0,0,0,0,0,1|2,0,0]=3 87 B14R2.6 c1ccc(cc1)Cc2ccccn2 TS12701 [0,0,0,0,0,1|1,0,0]=2 88 B14R2.6 c1ccc(cc1)Cc2cccnc2 TS65890 [0,0,0,0,0,1|1,0,0]=2 89 B14R2.6 c1ccc(cc1)Cc2ccncc2 TS12697 [0,0,0,0,0,1|2,0,0]=3 90 B14R2.6 c1ccc(cc1)Nc2ccccc2 TS01903 [0,0,0,0,0,1|3,0,0]=4 91 B14R2.6 c1ccc(cc1)Nc2ccccc2 TS20068 [0,0,0,0,0,1|3,0,0]=4 92 B14R2.6 c1ccc(cc1)Nc2ccccc2 TS73645 [0,0,0,0,0,1|3,0,0]=4 93 B14R2.6 c1ccc(cc1)Nc2ccccn2 TS45144 [0,0,0,0,0,1|2,0,0]=3 94 B14R2.6 c1ccc(cc1)Nc2cccnc2 TS45149 [0,0,0,0,0,1|2,0,0]=3 95 B14R2.6 c1ccc(cc1)Nc2ccncc2 TS45150 [0,0,0,0,0,1|3,0,0]=4 96 B14R2.6 c1ccc(cc1)Nc2ncccn2 TS45318 [0,0,0,0,0,1|1,0,1]=3 97 B14R2.6 c1ccc(cc1)Oc2ccccc2 TS00243 [0,0,0,0,0,1|3,0,0]=4 98 B14R2.6 c1ccc(cc1)Oc2ccccc2 TS77502 [0,0,0,0,0,1|3,0,0]=4 99 B14R2.6 c1ccc(cc1)Oc2ccccn2 TS65632 [0,0,0,0,0,1|2,0,0]=3 100 B14R2.6 c1ccc(cc1)Oc2ccncc2 TS09762 [0,0,0,0,0,1|3,0,0]=4 101 B14R2.6 c1ccc(cc1)Pc2ccccc2 TS15589 [0,0,0,0,0,1|3,0,0]=4 102 B14R2.6 c1ccc(cc1)Sc2ccccc2 TS55872 [0,0,0,0,0,1|3,0,0]=4 103 B14R2.6 c1ccc(cc1)[GeH2]c2ccccc2 TS52755 [0,0,0,0,0,1|2,1,0]=4 104 B14R2.6 c1ccc(cc1)[Hg]c2ccccc2 TS79271 [0,0,0,0,0,1|3,0,0]=4 105 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS58946 [0,0,0,0,0,1|3,0,0]=4 106 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS64367 [0,0,0,0,0,1|3,0,0]=4 107 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS72224 [0,0,0,0,0,1|3,0,0]=4 108 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS76868 [0,0,0,0,0,1|3,0,0]=4 109 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS79572 [0,0,0,0,0,1|3,0,0]=4 110 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS81334 [0,0,0,0,0,1|3,0,0]=4 111 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS81823 [0,0,0,0,0,1|3,0,0]=4 112 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS81940 [0,0,0,0,0,1|3,0,0]=4 113 B14R2.6 c1ccc(cc1)[Pb+2]c2ccccc2 TS72387 [0,0,0,0,0,1|3,0,0]=4 114 B14R2.6 c1ccc(cc1)[Se]c2ccccc2 TS53434 [0,0,0,0,0,1|3,0,0]=4 115 B14R2.6 c1ccc(cc1)[SiH2]c2ccccc2 TS48628 [0,0,0,0,0,1|2,1,0]=4 116 B14R2.6 c1ccc(cc1)[Zn]c2ccccc2 TS49675 [0,0,0,0,0,1|3,0,0]=4 117 B14R2.6 c1ccnc(c1)Nc2ccccn2 TS45316 [0,0,0,0,0,1|3,0,0]=4 118 B14R2.6 c1ccnc(c1)Sc2ccccn2 TS50769 [0,0,0,0,0,1|3,0,0]=4 119 B14R2.101 c1ccc(cc1)C=Cc2[nH]ccn2 TS45146 [0,0,0,0,0,1|0,0,1]=2 120 B14R2.101 c1ccc(cc1)CNc2[nH]nnn2 TS13689 [0,0,0,0,0,1|2,0,0]=3 121 B14R2.101 c1ccc(cc1)CNc2ncco2 TS62412 [0,0,0,0,0,1|1,0,0]=2 122 B14R2.101 c1ccc(cc1)CSc2[nH]nnn2 TS51490 [0,0,0,0,0,1|2,0,0]=3 123 B14R2.101 c1ccc(cc1)NCC2=NCCN2 TS13721 [0,0,0,0,0,1|0,0,2]=3 124 B14R2.101 c1ccc(cc1)NCc2ccco2 TS13347 [0,0,0,0,0,1|2,0,0]=3 125 B14R2.101 c1ccnc(c1)SCc2ccco2 TS51323 [0,0,0,0,0,1|3,0,0]=4 126 B11R1.28 C=CCOCc1ccccc1 TS07459 [1,0,1,0,0,0|2,0,0]=4 127 B11R1.40 C=CC(=O)Oc1ccccc1 TS07421 [1,0,1,0,0,0|2,0,0]=4 128 B11R1.40 CC(=NO)Cc1ccccc1 TS40745 [1,0,1,0,0,0|1,0,1]=4 129 B11R1.40 c1ccc(cc1)CC(=O)NN TS09901 [1,0,1,0,0,0|2,0,0]=4 130 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [1,0,1,0,0,0|2,0,0]=4 131 B13R1.348 c1ccc(cc1)CC(=O)NC(=O)N TS47532 [0,1,1,0,0,0|2,0,0]=4 132 B13R1.348 c1ccc(cc1)NC(=N)NC(=N)N TS21573 [0,1,1,0,0,0|2,0,0]=4 133 B13R1.348 c1ccc(cc1)NC(=NC(=N)N)N TS14047 [0,1,1,0,0,0|2,0,0]=4 134 B13R2.10 Cc1[nH]cc(n1)c2ccccc2 TS02165 [0,1,0,0,1,0|2,0,0]=4 135 B13R2.10 Cc1c[nH]c(n1)c2ccccc2 TS41915 [0,1,0,0,1,0|0,0,0]=2 136 B13R2.10 Cc1cc([nH]n1)c2ccccc2 TS41916 [0,1,0,0,1,0|2,0,0]=4 137 B13R2.10 Cc1ccn(n1)c2ccccc2 TS41931 [0,1,0,0,1,0|2,0,0]=4 138 B13R2.10 Cc1csc(n1)c2ccccc2 TS45995 [0,1,0,0,1,0|1,0,0]=3 139 B13R2.10 Cc1nc(no1)c2ccccc2 TS11244 [0,1,0,0,1,0|1,0,1]=4 140 B13R2.10 Cc1nc(sn1)c2ccccc2 TS46140 [0,1,0,0,1,0|2,0,0]=4 141 B13R2.10 c1cc(cnc1)c2[nH][nH]c(=S)n2 TS14205 [0,1,0,0,1,0|2,0,0]=4 142 B13R2.10 c1ccc(cc1)C2N=CC(=O)O2 TS42284 [0,1,0,0,1,0|1,0,1]=4 143 B13R2.10 c1ccc(cc1)c2[nH]nc(n2)N TS09151 [0,1,0,0,1,0|1,0,0]=3 144 B13R2.10 c1ccc(cc1)c2cc(=O)o[nH]2 TS11374 [0,1,0,0,1,0|2,0,0]=4 145 B13R2.10 c1ccc(cc1)c2cc(n[nH]2)N TS42058 [0,1,0,0,1,0|2,0,0]=4 146 B13R2.10 c1ccc(cc1)c2cc(n[nH]2)N TS53571 [0,1,0,0,1,0|2,0,0]=4 147 B13R2.10 c1ccc(cc1)c2cc(on2)N TS42156 [0,1,0,0,1,0|2,0,0]=4 148 B13R2.10 c1ccc(cc1)c2ccc(s2)Br TS57200 [0,1,0,0,1,0|2,0,0]=4 149 B13R2.10 c1ccc(cc1)c2ccc(s2)I TS93268 [0,1,0,0,1,0|2,0,0]=4 150 B13R2.10 c1ccc(cc1)c2csc(n2)Br TS32904 [0,1,0,0,1,0|2,0,0]=4 151 B13R2.10 c1ccc(cc1)c2csc(n2)Cl TS53579 [0,1,0,0,1,0|2,0,0]=4 152 B13R2.10 c1ccc(cc1)c2csc(n2)O TS46300 [0,1,0,0,1,0|2,0,0]=4 153 B13R2.10 c1ccc(cc1)c2csc(n2)S TS17716 [0,1,0,0,1,0|2,0,0]=4 154 B13R2.10 c1ccc(cc1)c2nc(cs2)O TS46294 [0,1,0,0,1,0|1,0,0]=3 155 B13R2.10 c1ccc(cc1)c2nc(no2)N TS42290 [0,1,0,0,1,0|2,0,0]=4 156 B13R2.10 c1ccc(cc1)c2nc(ns2)N TS01176 [0,1,0,0,1,0|2,0,0]=4 157 B13R2.10 c1ccc(cc1)c2nc(sn2)N TS02043 [0,1,0,0,1,0|1,0,1]=4 158 B13R2.10 c1ccc(cc1)c2nnc(o2)Br TS55134 [0,1,0,0,1,0|2,0,0]=4 159 B13R2.10 c1ccc(cc1)c2nnc(o2)N TS42299 [0,1,0,0,1,0|2,0,0]=4 160 B13R2.10 c1ccc(cc1)c2nnc(o2)S TS47546 [0,1,0,0,1,0|2,0,0]=4 161 B13R2.10 c1ccc(cc1)n2cc(cn2)Br TS23612 [0,1,0,0,1,0|2,0,0]=4 162 B13R2.10 c1ccc(cc1)n2ccc(n2)N TS42054 [0,1,0,0,1,0|2,0,0]=4 163 B13R2.10 c1cnccc1c2nc(cs2)N TS46304 [0,1,0,0,1,0|2,0,0]=4 164 B13R2.12 Cc1ccc(cc1)c2[nH]nnn2 TS42169 [0,1,0,0,1,0|2,0,0]=4 165 B13R2.12 Cc1ccc(cc1)c2c[nH]cn2 TS11006 [0,1,0,0,1,0|2,0,0]=4 166 B13R2.12 Cc1ccc(cc1)c2ccon2 TS11149 [0,1,0,0,1,0|2,0,0]=4 167 B13R2.12 Cc1ccc(cc1)c2nccs2 TS13739 [0,1,0,0,1,0|1,0,0]=3 168 B13R2.12 Cc1ccc(cc1)c2ncns2 TS13888 [0,1,0,0,1,0|2,0,0]=4 169 B13R2.12 c1cc(ccc1c2[nH]ccn2)Br TS08935 [0,1,0,0,1,0|0,0,0]=2 170 B13R2.12 c1cc(ccc1c2[nH]ccn2)Cl TS47637 [0,1,0,0,1,0|0,0,0]=2 171 B13R2.12 c1cc(ccc1c2[nH]ccn2)F TS11525 [0,1,0,0,1,0|0,0,0]=2 172 B13R2.12 c1cc(ccc1c2[nH]nnn2)Br TS52125 [0,1,0,0,1,0|2,0,0]=4 173 B13R2.12 c1cc(ccc1c2c[nH]cn2)Cl TS47631 [0,1,0,0,1,0|2,0,0]=4 174 B13R2.12 c1cc(ccc1c2c[nH]cn2)N TS53575 [0,1,0,0,1,0|2,0,0]=4 175 B13R2.12 c1cc(ccc1c2cc[nH]n2)Cl TS47636 [0,1,0,0,1,0|2,0,0]=4 176 B13R2.12 c1cc(ccc1c2cc[nH]n2)F TS65685 [0,1,0,0,1,0|2,0,0]=4 177 B13R2.12 c1cc(ccc1c2ccon2)Br TS50422 [0,1,0,0,1,0|2,0,0]=4 178 B13R2.12 c1cc(ccc1c2ccon2)Cl TS14470 [0,1,0,0,1,0|2,0,0]=4 179 B13R2.12 c1cc(ccc1c2cnc[nH]2)Br TS23605 [0,1,0,0,1,0|2,0,0]=4 180 B13R2.12 c1cc(ccc1c2cscn2)Br TS26465 [0,1,0,0,1,0|2,0,0]=4 181 B13R2.12 c1cc(ccc1c2ncco2)Br TS50402 [0,1,0,0,1,0|1,0,0]=3 182 B13R2.12 c1cc(ccc1c2ncco2)Cl TS47797 [0,1,0,0,1,0|1,0,0]=3 183 B13R2.12 c1cc(ccc1c2ncco2)F TS11671 [0,1,0,0,1,0|1,0,0]=3 184 B13R2.12 c1cc(ccc1c2ncco2)I TS74085 [0,1,0,0,1,0|1,0,0]=3 185 B13R2.12 c1cc(ccc1c2nccs2)Cl TS53577 [0,1,0,0,1,0|1,0,0]=3 186 B13R2.12 c1cc(ccc1c2nccs2)F TS47717 [0,1,0,0,1,0|1,0,0]=3 187 B13R2.12 c1cc(ccc1c2nccs2)O TS16871 [0,1,0,0,1,0|1,0,0]=3 188 B13R2.12 c1cc(oc1)c2ccc(cc2)Br TS23597 [0,1,0,0,1,0|2,0,0]=4 189 B13R2.12 c1cc(oc1)c2ccc(cc2)N TS11132 [0,1,0,0,1,0|2,0,0]=4 190 B13R2.12 c1cc(sc1)c2ccc(cc2)Br TS16464 [0,1,0,0,1,0|2,0,0]=4 191 B13R2.12 c1cc(sc1)c2ccc(cc2)Cl TS17977 [0,1,0,0,1,0|2,0,0]=4 192 B13R2.12 c1cc(sc1)c2ccc(cc2)F TS14215 [0,1,0,0,1,0|2,0,0]=4 193 B13R2.12 c1cc(sc1)c2ccc(cc2)N TS44086 [0,1,0,0,1,0|2,0,0]=4 194 B13R2.12 c1cnn(c1)c2ccc(cc2)Br TS23610 [0,1,0,0,1,0|2,0,0]=4 195 B13R2.12 c1cnn(c1)c2ccc(cc2)I TS29467 [0,1,0,0,1,0|2,0,0]=4 196 B13R2.12 c1cnn(c1)c2ccc(cc2)N TS71290 [0,1,0,0,1,0|2,0,0]=4 197 B13R2.13 Cc1cccc(c1)c2nccs2 TS45999 [0,1,0,0,1,0|1,0,0]=3 198 B13R2.13 c1cc(cc(c1)Br)c2cc[nH]n2 TS59710 [0,1,0,0,1,0|2,0,0]=4 199 B13R2.13 c1cc(cc(c1)Br)c2ncco2 TS50416 [0,1,0,0,1,0|1,0,0]=3 200 B13R2.13 c1cc(cc(c1)Br)c2nccs2 TS26464 [0,1,0,0,1,0|1,0,0]=3 201 B13R2.13 c1cc(cc(c1)Br)n2cccn2 TS46711 [0,1,0,0,1,0|2,0,0]=4 202 B13R2.13 c1cc(cc(c1)Cl)c2ncco2 TS14471 [0,1,0,0,1,0|1,0,0]=3 203 B13R2.13 c1cc(cc(c1)F)c2[nH]nnn2 TS42683 [0,1,0,0,1,0|2,0,0]=4 204 B13R2.13 c1cc(cc(c1)N)c2[nH]ccn2 TS42060 [0,1,0,0,1,0|0,0,0]=2 205 B13R2.13 c1cc(cc(c1)N)c2[nH]nnn2 TS42303 [0,1,0,0,1,0|2,0,0]=4 206 B13R2.13 c1cc(cc(c1)N)c2ccco2 TS42042 [0,1,0,0,1,0|2,0,0]=4 207 B13R2.13 c1cc(cc(c1)N)c2cccs2 TS45996 [0,1,0,0,1,0|2,0,0]=4 208 B13R2.13 c1cc(cc(c1)N)c2nnco2 TS42288 [0,1,0,0,1,0|2,0,0]=4 209 B13R2.13 c1cc(cc(c1)O)c2[nH]nnn2 TS42425 [0,1,0,0,1,0|2,0,0]=4 210 B13R2.15 Cn1c(nnn1)c2ccccc2 TS42174 [0,1,0,0,1,0|2,0,0]=4 211 B13R2.15 Cn1cccc1c2cccnc2 TS41928 [0,1,0,0,1,0|2,0,0]=4 212 B13R2.15 c1ccc(cc1)c2c(c[nH]n2)Br TS23613 [0,1,0,0,1,0|2,0,0]=4 213 B13R2.15 c1ccc(cc1)n2c(ccn2)N TS42050 [0,1,0,0,1,0|2,0,0]=4 214 B13R2.18 Cc1ccccc1c2nccs2 TS45994 [0,1,0,0,1,0|1,0,0]=3 215 B13R2.18 c1ccc(c(c1)C2=NCCN2)S TS14263 [0,1,0,0,1,0|0,0,2]=4 216 B13R2.18 c1ccc(c(c1)N)n2cccn2 TS59676 [0,1,0,0,1,0|2,0,0]=4 217 B13R2.18 c1ccc(c(c1)c2[nH]nnn2)Cl TS14693 [0,1,0,0,1,0|2,0,0]=4 218 B13R2.18 c1ccc(c(c1)c2[nH]nnn2)F TS42684 [0,1,0,0,1,0|2,0,0]=4 219 B13R2.18 c1ccc(c(c1)c2[nH]nnn2)I TS33316 [0,1,0,0,1,0|2,0,0]=4 220 B13R2.18 c1ccc(c(c1)c2[nH]nnn2)N TS42302 [0,1,0,0,1,0|2,0,0]=4 221 B13R2.18 c1ccc(c(c1)c2cc[nH]n2)Cl TS47639 [0,1,0,0,1,0|2,0,0]=4 222 B13R2.18 c1ccc(c(c1)c2ccco2)N TS11127 [0,1,0,0,1,0|2,0,0]=4 223 B13R2.18 c1ccc(c(c1)c2cccs2)N TS46000 [0,1,0,0,1,0|2,0,0]=4 224 B13R2.18 c1ccc(c(c1)c2ccon2)O TS42282 [0,1,0,0,1,0|2,0,0]=4 225 B13R2.18 c1ccc(c(c1)c2ncco2)Br TS47045 [0,1,0,0,1,0|1,0,0]=3 226 B13R2.18 c1ccc(c(c1)c2ncco2)Cl TS14474 [0,1,0,0,1,0|1,0,0]=3 227 B13R2.18 c1ccc(c(c1)c2nnco2)O TS42410 [0,1,0,0,1,0|2,0,0]=4 228 B13R2.18 c1ccc(c(c1)n2cccn2)Br TS08146 [0,1,0,0,1,0|2,0,0]=4 229 B15R2.29 c1cc(ccc1Cc2ccncc2)Cl TS38515 [0,1,0,0,0,1|2,0,0]=4 230 B15R2.29 c1ccc(cc1)Cc2ccc(cc2)Br TS27576 [0,1,0,0,0,1|2,0,0]=4 231 B15R2.29 c1ccc(cc1)Cc2ccc(cc2)Cl TS19489 [0,1,0,0,0,1|2,0,0]=4 232 B15R2.29 c1ccc(cc1)Cc2ccc(cc2)F TS48905 [0,1,0,0,0,1|2,0,0]=4 233 B15R2.29 c1ccc(cc1)Cc2ccc(cc2)N TS48455 [0,1,0,0,0,1|2,0,0]=4 234 B15R2.29 c1ccc(cc1)Cc2ccc(cc2)O TS48572 [0,1,0,0,0,1|2,0,0]=4 235 B15R2.29 c1ccc(cc1)Nc2ncc(cn2)Br TS08047 [0,1,0,0,0,1|1,0,1]=4 236 B15R2.29 c1ccc(cc1)Oc2ccc(cn2)I TS71575 [0,1,0,0,0,1|2,0,0]=4 237 B15R2.29 c1ccc(cc1)Oc2ccc(cn2)N TS15622 [0,1,0,0,0,1|2,0,0]=4 238 B15R2.29 c1ccc(cc1)Oc2ncc(cn2)Br TS71438 [0,1,0,0,0,1|1,0,1]=4 239 B15R2.29 c1ccnc(c1)Cc2ccc(cc2)Cl TS38517 [0,1,0,0,0,1|1,0,0]=3 240 B15R2.29 c1ccnc(c1)Cc2ccc(cc2)N TS15304 [0,1,0,0,0,1|1,0,0]=3 241 B15R2.31 c1ccc(cc1)Cc2cccc(c2)N TS48456 [0,1,0,0,0,1|2,0,0]=4 242 B15R2.31 c1ccc(cc1)Cc2cccc(c2)O TS65889 [0,1,0,0,0,1|2,0,0]=4 243 B15R2.38 c1ccc(cc1)Cc2ccccc2Br TS55162 [0,1,0,0,0,1|2,0,0]=4 244 B15R2.38 c1ccc(cc1)Cc2ccccc2Cl TS19488 [0,1,0,0,0,1|2,0,0]=4 245 B15R2.38 c1ccc(cc1)Cc2ccccc2F TS48906 [0,1,0,0,0,1|2,0,0]=4 246 B15R2.38 c1ccc(cc1)Cc2ccccc2N TS48462 [0,1,0,0,0,1|2,0,0]=4 247 B15R2.38 c1ccc(cc1)Cc2ccccc2O TS48584 [0,1,0,0,0,1|2,0,0]=4 248 B15R2.2226 CC(c1ccccc1)c2ccccc2 TS15023 [0,1,0,0,0,1|2,0,0]=4 249 B15R2.2226 c1ccc(cc1)C(=O)c2ccccn2 TS15141 [0,1,0,0,0,1|1,0,1]=4 250 B15R2.2226 c1ccc(cc1)C(=O)c2cccnc2 TS48433 [0,1,0,0,0,1|1,0,1]=4 251 B15R2.2226 c1ccc(cc1)C(c2ccccc2)Br TS27578 [0,1,0,0,0,1|2,0,0]=4 252 B15R2.2226 c1ccc(cc1)C(c2ccccc2)Cl TS39831 [0,1,0,0,0,1|2,0,0]=4 253 B15R2.2226 c1ccc(cc1)C(c2ccccc2)N TS55747 [0,1,0,0,0,1|2,0,0]=4 254 B15R2.2226 c1ccc(cc1)C(c2ccccc2)N TS55748 [0,1,0,0,0,1|2,0,0]=4 255 B15R2.2226 c1ccc(cc1)C(c2ccccc2)O TS55746 [0,1,0,0,0,1|2,0,0]=4 256 B15R2.2226 c1ccc(cc1)C(c2ccccc2)[SiH3] TS18715 [0,1,0,0,0,1|2,0,0]=4 257 B15R2.2226 c1ccc(cc1)C(c2ccccn2)N TS15295 [0,1,0,0,0,1|1,0,0]=3 258 B15R2.2226 c1ccc(cc1)C(c2cccnc2)O TS15461 [0,1,0,0,0,1|1,0,0]=3 259 B15R2.2226 c1ccc(cc1)C(c2ccncc2)O TS48735 [0,1,0,0,0,1|2,0,0]=4 260 B15R2.100 Cc1ccc(cc1)NCc2ccco2 TS15809 [0,1,0,0,0,1|2,0,0]=4 261 B15R2.100 c1cc(ccc1SCc2[nH]nnn2)Cl TS52435 [0,1,0,0,0,1|2,0,0]=4 262 B15R2.100 c1cc(sc1)CNc2ccc(cc2)O TS20016 [0,1,0,0,0,1|2,0,0]=4 263 B15R2.283 c1ccc(cc1)CSc2nc(ns2)N TS50353 [0,1,0,0,0,1|2,0,0]=4 264 B15R2.283 c1ccc(cc1)CSc2nc(ns2)O TS23886 [0,1,0,0,0,1|2,0,0]=4 265 B15R2.283 c1ccc(cc1)CSc2nnc(s2)N TS50352 [0,1,0,0,0,1|2,0,0]=4 266 B15R2.15 c1ccc(cc1)Cn2cc(cn2)CCl TS26988 [0,2,0,0,0,0|2,0,0]=4 267 B15R2.15 c1ccc(cc1)Cn2cc(cn2)CN TS23750 [0,2,0,0,0,0|2,0,0]=4 268 B15R2.15 c1ccc(cc1)Cn2cc(cn2)CO TS50762 [0,2,0,0,0,0|2,0,0]=4 269 B15R2.1115 c1cc(cc(c1)Br)Cc2nc(cs2)N TS30644 [0,2,0,0,0,0|1,0,0]=3 270 B15R2.359 c1ccc(c(c1)Cn2c(ccn2)N)F TS91205 [0,2,0,0,0,0|2,0,0]=4 271 B15R2.395 Cn1ccnc1C(c2ccccc2)O TS50750 [0,2,0,0,0,0|0,0,0]=2 272 B15R2.1109 Cc1cccc(c1C)Cc2c[nH]cn2 TS15667 [0,2,0,0,0,0|2,0,0]=4 273 B15R2.1109 Cc1cccc(c1C)Cc2c[nH]cn2 TS50236 [0,2,0,0,0,0|2,0,0]=4 274 B15R2.15371 Cc1cccc(c1Nc2nccs2)C TS57477 [0,2,0,0,0,0|2,0,0]=4 275 B15R2.91 c1cc(ccc1C(=O)c2nccs2)Cl TS50392 [0,2,0,0,0,0|1,0,1]=4 276 B15R2.1108 c1cc(cc(c1)Cl)C(=O)c2nccs2 TS50390 [0,2,0,0,0,0|1,0,1]=4 277 B15R2.1108 c1cc(cc(c1)F)C(=O)c2nccs2 TS39170 [0,2,0,0,0,0|1,0,1]=4 278 B13R2.3 c1ccc(cc1)c2ccccn2 TS02179 [0,0,1,1,0,0|1,0,1]=4 279 B13R2.3 c1ccc(cc1)c2ccccn2 TS94256 [0,0,1,1,0,0|1,0,1]=4 280 B13R2.3 c1ccc(cc1)c2cccnc2 TS32944 [0,0,1,1,0,0|1,0,1]=4 281 B13R2.1613 c1ccc2c(c1)ccnc2C=O TS46977 [0,0,1,1,0,0|1,0,1]=4 282 B13R2.1613 c1ccc2c(c1)ccnc2CN TS53134 [0,0,1,1,0,0|0,0,2]=4 283 B13R2.328 c1ccc2c(c1)c(nc(n2)N)N TS42170 [0,0,1,1,0,0|2,0,0]=4 284 B13R2.328 c1ccc2c(c1)cc(nc2Br)N TS23600 [0,0,1,1,0,0|1,0,1]=4 285 B15R3.3 c1ccc-2c(c1)Cc3c2cccc3 TS43118 [0,0,0,1,0,1|2,0,0]=4 286 B15R3.3 c1ccc2c(c1)c3cccnc3[nH]2 TS12543 [0,0,0,1,0,1|2,0,0]=4 287 B15R3.3 c1ccc2c(c1)c3ccncc3[nH]2 TS01335 [0,0,0,1,0,1|2,0,0]=4 288 B15R3.3 c1ccc2c(c1)c3ccncc3[nH]2 TS19884 [0,0,0,1,0,1|2,0,0]=4 289 B15R3.1739 c1ccc2c(c1)ccc3n2cnn3 TS12675 [0,0,0,1,0,1|1,0,1]=4 290 B15R3.1739 c1ccc2c(c1)ncc3n2ccc3 TS12552 [0,0,0,1,0,1|1,0,1]=4 291 B15R3.173 c1ccc-2c(c1)C(=O)c3n2ccn3 TS02070 [0,1,0,1,0,0|0,0,1]=3 292 B15R3.15273 Cc1cccc2c1n3cnnc3s2 TS16210 [0,1,0,1,0,0|2,0,0]=4 293 B11R1.16 C=COC(=O)c1ccccc1 TS07417 [0,0,1,0,1,0|2,0,0]=4 294 B11R2.2 c1cc([nH]c1)c2ccc[nH]2 TS05744 [0,0,0,0,2,0|2,0,0]=4 295 B11R2.2 c1cc(oc1)c2[nH]ccn2 TS36811 [0,0,0,0,2,0|1,0,0]=3 296 B11R2.2 c1cnc([nH]1)c2[nH]ccn2 TS05885 [0,0,0,0,2,0|2,0,0]=4 297 B11R2.238 c1ccc(cc1)CC2CN2 TS36772 [0,0,0,0,2,0|0,0,2]=4 298 B11R2.238 c1ccc(cc1)C[C@@H]2CN2 TS36776 [0,0,0,0,2,0|0,0,2]=4 299 B11R2.238 c1ccc(cc1)C[C@H]2CN2 TS36774 [0,0,0,0,2,0|0,0,2]=4 300 B15R2.2195 c1cc(cnc1)CSc2ncccn2 TS19628 [0,0,0,0,0,2|1,0,1]=4 301 B15R2.2195 c1ccc(cc1)C=Cc2ccccn2 TS14821 [0,0,0,0,0,2|1,0,1]=4 302 B15R2.2195 c1ccc(cc1)CCc2ccccc2 TS15019 [0,0,0,0,0,2|2,0,0]=4 303 B15R2.2195 c1ccc(cc1)CNc2ccccc2 TS01616 [0,0,0,0,0,2|2,0,0]=4 304 B15R2.2195 c1ccc(cc1)CNc2ccccn2 TS55056 [0,0,0,0,0,2|1,0,0]=3 305 B15R2.2195 c1ccc(cc1)CNc2ccccn2 TS67971 [0,0,0,0,0,2|1,0,0]=3 306 B15R2.2195 c1ccc(cc1)CNc2cccnc2 TS15297 [0,0,0,0,0,2|1,0,0]=3 307 B15R2.2195 c1ccc(cc1)CNc2ccncc2 TS60375 [0,0,0,0,0,2|2,0,0]=4 308 B15R2.2195 c1ccc(cc1)CNc2ccncc2 TS67972 [0,0,0,0,0,2|2,0,0]=4 309 B15R2.2195 c1ccc(cc1)CNc2cnccn2 TS15472 [0,0,0,0,0,2|0,0,1]=3 310 B15R2.2195 c1ccc(cc1)COc2ccccc2 TS48575 [0,0,0,0,0,2|2,0,0]=4 311 B15R2.2195 c1ccc(cc1)CSc2ccccc2 TS19062 [0,0,0,0,0,2|2,0,0]=4 312 B15R2.2195 c1ccc(cc1)NCc2ccccn2 TS08604 [0,0,0,0,0,2|1,0,0]=3 313 B15R2.2195 c1ccc(cc1)NCc2ccccn2 TS49886 [0,0,0,0,0,2|1,0,0]=3 314 B15R2.2196 c1ccc(cc1)CNCc2ccco2 TS15810 [0,0,0,0,0,2|2,0,0]=4 315 B15R2.2196 c1ccc(cc1)CNCc2cccs2 TS38494 [0,0,0,0,0,2|2,0,0]=4