0 B10R1.15 C=CS(=O)c1ccccc1 TS41168 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 CC(=NN)c1ccccc1 TS05912 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.15 CC(=NO)c1ccccc1 TS36930 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.15 CC(=NO)c1cccnc1 TS06046 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.15 CC=C(C)c1ccccc1 TS36697 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.15 CCC(=C)c1ccccc1 TS36703 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.15 CCC(=O)c1ccccc1 TS00059 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 CCC(=O)c1ccccn1 TS36934 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.15 CCC(=O)c1cccnc1 TS36927 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.15 CCC(=O)c1ccncc1 TS36919 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.15 CCC(=O)c1cnccn1 TS88981 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 CCC(C)c1ccccc1 TS36864 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.15 CCC(C)c1cnccn1 TS37025 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.15 CCC(c1ccccc1)N TS36947 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.15 CCC(c1ccccc1)O TS37007 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.15 CCC(c1cnccn1)N TS90912 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.15 CCN(C)c1ccccc1 TS36948 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.15 CCN(c1ccccc1)N TS06110 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.15 CNC(=O)c1ccccc1 TS01597 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.15 CNC(=O)c1cccnc1 TS06060 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.15 COC(=N)c1ccccc1 TS45386 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.15 COC(=N)c1ccccn1 TS02314 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.15 COC(=N)c1cnccn1 TS06178 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.15 COC(=O)C1=CCCCC1 TS37383 [0,0,0,0,0,0|1,0,3]=4 26 B10R1.15 COC(=O)C1=CCCNC1 TS23394 [0,0,0,0,0,0|0,0,4]=4 27 B10R1.15 COC(=O)C1=CCOCC1 TS06658 [0,0,0,0,0,0|2,0,2]=4 28 B10R1.15 COC(=O)N1CC=CC=C1 TS06359 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.15 COC(=O)c1ccccc1 TS00163 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.15 COC(=O)c1ccccn1 TS06161 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.15 COC(=O)c1cccnc1 TS37100 [0,0,0,0,0,0|0,0,0]=0 32 B10R1.15 COC(=O)c1cccnn1 TS90030 [0,0,0,0,0,0|1,0,0]=1 33 B10R1.15 COC(=O)c1ccncc1 TS06163 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.15 COC(=O)c1ccncn1 TS59823 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.15 COC(=O)c1ccnnc1 TS90861 [0,0,0,0,0,0|1,0,0]=1 36 B10R1.15 COC(=O)c1cncnc1 TS01558 [0,0,0,0,0,0|1,0,0]=1 37 B10R1.15 COC(=O)c1ncccn1 TS01557 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.15 COS(=O)c1ccccc1 TS10693 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.15 c1cc(cnc1)C(=NO)N TS08672 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.15 c1cc(cnc1)C(=O)CBr TS09434 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.15 c1cc(cnc1)C(=O)CCl TS94820 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.15 c1cc(cnc1)C(=O)NN TS56400 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.15 c1cc(cnc1)C(=O)NO TS37159 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.15 c1cc(cnc1)C(CN)O TS37204 [0,0,0,0,0,0|2,0,2]=4 47 B10R1.15 c1cc(cnc1)[C@H](CCl)O TS10916 [0,0,0,0,0,0|2,0,2]=4 48 B10R1.15 c1ccc(cc1)C(=CBr)Br TS29726 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.15 c1ccc(cc1)C(=NN)Cl TS41464 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.15 c1ccc(cc1)C(=NO)Cl TS10615 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.15 c1ccc(cc1)C(=O)C#N TS05650 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [0,0,0,0,0,0|3,0,0]=3 57 B10R1.15 c1ccc(cc1)C(=O)NN TS55745 [0,0,0,0,0,0|3,0,0]=3 58 B10R1.15 c1ccc(cc1)C(=O)NO TS37093 [0,0,0,0,0,0|3,0,0]=3 59 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS11100 [0,0,0,0,0,0|3,0,0]=3 60 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS13711 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.15 c1ccc(cc1)S(=O)CCl TS45878 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.15 c1ccnc(c1)C(=O)CBr TS18939 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.15 c1ccnc(c1)C(=O)CBr TS55077 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.15 c1ccnc(c1)C(=O)NN TS06175 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.15 c1cnc(cn1)C(=NO)N TS37168 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.15 c1cnc(cn1)C(=O)CBr TS08470 [0,0,0,0,0,0|3,0,0]=3 67 B10R1.15 c1cnc(cn1)C(=O)NN TS37166 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.15 c1cnccc1C(=O)CBr TS16896 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.15 c1cnccc1C(=O)NN TS06172 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.6 B(c1ccccc1)(O)O TS59339 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.6 B(c1cccnc1)(O)O TS02468 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.6 B(c1cccnc1)(O)O TS11179 [1,0,0,0,0,0|1,0,1]=3 73 B9R1.6 B(c1cncnc1)(O)O TS85496 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.6 C=C(c1ccccc1)Br TS48375 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.6 CC(=C)c1ccccc1 TS32349 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.6 CC(=O)c1ccccc1 TS32455 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.6 CC(=O)c1ccccc1 TS32456 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.6 CC(=O)c1ccccc1 TS38236 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.6 CC(=O)c1ccccc1 TS55713 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.6 CC(=O)c1ccccn1 TS04861 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.6 CC(=O)c1cccnc1 TS65831 [1,0,0,0,0,0|0,0,0]=1 83 B9R1.6 CC(=O)c1cccnn1 TS87133 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.6 CC(=O)c1ccncc1 TS02952 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.6 CC(=O)c1ccncn1 TS87400 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.6 CC(=O)c1ccnnc1 TS89714 [1,0,0,0,0,0|1,0,0]=2 87 B9R1.6 CC(=O)c1cnccn1 TS55718 [1,0,0,0,0,0|1,0,0]=2 88 B9R1.6 CC(=O)c1cncnc1 TS46735 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.6 CC(=O)c1ncccn1 TS91588 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.6 CC(C)c1cnccn1 TS04911 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.6 CC(c1ccccc1)Cl TS37453 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.6 CC(c1ccccc1)N TS55879 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.6 CC(c1ccccc1)O TS04908 [1,0,0,0,0,0|1,0,2]=4 94 B9R1.6 CC(c1cccnc1)N TS59573 [1,0,0,0,0,0|1,0,1]=3 95 B9R1.6 CC(c1ccnnc1)N TS88664 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.6 CC(c1cnccn1)N TS86731 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.6 CC(c1cncnc1)N TS88597 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.6 CN(C)c1ccccc1 TS56353 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.6 CN(C)c1cccnc1 TS32521 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.6 CN(c1ccccc1)N TS46980 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.6 CP(C)c1ccccc1 TS37178 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.6 CP(C)c1ccccc1 TS75399 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [1,0,0,0,0,0|1,0,2]=4 105 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [1,0,0,0,0,0|0,0,2]=3 106 B9R1.6 C[C@@H](c1cncnc1)N TS86849 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.6 C[C@H](c1ccccc1)N TS00310 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.6 C[C@H](c1ccccc1)N TS29339 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.6 C[C@H](c1ccccc1)O TS04906 [1,0,0,0,0,0|1,0,2]=4 110 B9R1.6 C[C@H](c1cccnc1)O TS04956 [1,0,0,0,0,0|0,0,2]=3 111 B9R1.6 C[C@H](c1cncnc1)N TS90168 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [1,0,0,0,0,0|2,1,0]=4 113 B9R1.6 c1c(cncn1)C(=N)N TS60163 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.6 c1c(cncn1)C(=O)O TS11330 [1,0,0,0,0,0|1,0,0]=2 115 B9R1.6 c1c(cncn1)C(=O)O TS88781 [1,0,0,0,0,0|1,0,0]=2 116 B9R1.6 c1c(cncn1)C(=O)[O-] TS40359 [1,0,0,0,0,0|1,0,1]=3 117 B9R1.6 c1c(cncn1)C(=S)N TS37304 [1,0,0,0,0,0|2,1,0]=4 118 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [1,0,0,0,0,0|1,0,0]=2 119 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [1,0,0,0,0,0|1,0,0]=2 120 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [1,0,0,0,0,0|1,0,0]=2 121 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [1,0,0,0,0,0|1,0,0]=2 122 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [1,0,0,0,0,0|1,0,0]=2 123 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [1,0,0,0,0,0|0,0,0]=1 124 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [1,0,0,0,0,0|0,0,1]=2 125 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [1,0,0,0,0,0|0,0,1]=2 126 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [1,0,0,0,0,0|0,0,1]=2 127 B9R1.6 c1cc(cnc1)C(=S)N TS00280 [1,0,0,0,0,0|1,1,0]=3 128 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [1,0,0,0,0,0|0,1,0]=2 129 B9R1.6 c1cc(cnc1)[N+](=O)[O-] TS05007 [1,0,0,0,0,0|1,0,1]=3 130 B9R1.6 c1cc(nnc1)C(=O)O TS59367 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [1,0,0,0,0,0|1,0,0]=2 139 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [1,0,0,0,0,0|1,0,0]=2 140 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [1,0,0,0,0,0|1,0,0]=2 141 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [1,0,0,0,0,0|1,0,0]=2 142 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [1,0,0,0,0,0|1,0,0]=2 143 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [1,0,0,0,0,0|1,0,1]=3 144 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [1,0,0,0,0,0|1,0,1]=3 145 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [1,0,0,0,0,0|1,0,1]=3 146 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [1,0,0,0,0,0|1,0,1]=3 147 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [1,0,0,0,0,0|1,0,1]=3 148 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [1,0,0,0,0,0|2,1,0]=4 149 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [1,0,0,0,0,0|1,1,0]=3 150 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [1,0,0,0,0,0|2,0,1]=4 157 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.6 c1cnc(cn1)C(=N)N TS32502 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.6 c1cnc(cn1)C(=N)N TS59360 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.6 c1cnc(cn1)C(=O)Cl TS37679 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [1,0,0,0,0,0|1,0,0]=2 169 B9R1.6 c1cnc(cn1)C(=S)N TS37306 [1,0,0,0,0,0|2,1,0]=4 170 B9R1.6 c1cnc(nc1)C(=O)O TS87638 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.6 c1cnccc1C(=O)Cl TS46358 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.6 c1cnccc1C(=O)N TS74511 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.6 c1cnccc1C(=O)O TS01508 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.6 c1cncnc1C(=O)O TS90236 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.6 c1cnnc(n1)C(=O)O TS36044 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.6 c1cnncc1C(=O)O TS59368 [1,0,0,0,0,0|1,0,0]=2 178 B9R1.8 CC#Cc1ccccc1 TS04599 [1,0,0,0,0,0|2,0,1]=4 179 B9R1.8 CC=Cc1ccccc1 TS32346 [1,0,0,0,0,0|2,0,0]=3 180 B9R1.8 CCCc1ccccc1 TS04832 [1,0,0,0,0,0|2,0,1]=4 181 B9R1.8 CCCc1cnccn1 TS59984 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.8 CCNc1ccccc1 TS04869 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.8 CCOc1ccccc1 TS04896 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.8 CCOc1cnccn1 TS05010 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.8 CCSc1ccccc1 TS06299 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.8 CNCc1ccccc1 TS01938 [1,0,0,0,0,0|2,0,1]=4 187 B9R1.8 CNCc1cccnc1 TS02609 [1,0,0,0,0,0|1,0,1]=3 188 B9R1.8 CNCc1cnccn1 TS01556 [1,0,0,0,0,0|2,0,1]=4 189 B9R1.8 CNCc1cncnc1 TS91331 [1,0,0,0,0,0|2,0,1]=4 190 B9R1.8 CNNc1ccccc1 TS85406 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.8 COCc1ccccc1 TS04897 [1,0,0,0,0,0|1,0,1]=3 192 B9R1.8 COCc1ccccn1 TS00518 [1,0,0,0,0,0|2,0,1]=4 193 B9R1.8 CSCc1ccccc1 TS06309 [1,0,0,0,0,0|1,1,1]=4 194 B9R1.8 CSSc1ccccc1 TS41708 [1,0,0,0,0,0|2,1,0]=4 195 B9R1.8 c1cc(cnc1)C=NO TS32495 [1,0,0,0,0,0|2,0,0]=3 196 B9R1.8 c1cc(cnc1)CC#N TS04724 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.8 c1cc(cnc1)CCN TS41995 [1,0,0,0,0,0|2,0,1]=4 198 B9R1.8 c1cc(cnc1)CCN TS65667 [1,0,0,0,0,0|2,0,1]=4 199 B9R1.8 c1cc(cnc1)CCO TS39614 [1,0,0,0,0,0|2,0,1]=4 200 B9R1.8 c1cc(cnc1)CNN TS87066 [1,0,0,0,0,0|2,0,1]=4 201 B9R1.8 c1cc(cnc1)N=C=O TS32413 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.8 c1ccc(cc1)C=CBr TS48378 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.8 c1ccc(cc1)C=CCl TS37253 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.8 c1ccc(cc1)C=CN TS55760 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.8 c1ccc(cc1)C=N#N TS04720 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.8 c1ccc(cc1)C=NN TS04817 [1,0,0,0,0,0|3,0,0]=4 207 B11R1.7 CCS(=O)(=O)c1ccccc1 TS12825 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.7 CNS(=O)(=O)c1ccccc1 TS45325 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.7 COP(=O)(C)c1ccccc1 TS45092 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.7 COS(=O)(=O)c1ccccc1 TS39807 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.12 B(CC)(CC)c1cccnc1 TS40488 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.12 CCC(=CC)c1ccccc1 TS40463 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.12 CCN(c1ccccc1)N=O TS09879 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.12 COC(c1ccccc1)OC TS33210 [0,1,0,0,0,0|1,0,2]=4 215 B11R1.12 COP(c1ccccc1)OC TS45093 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.12 CO[C@@H](CO)c1ccccc1 TS41139 [0,1,0,0,0,0|1,0,2]=4 217 B11R1.12 CO[C@H](CO)c1ccccc1 TS10190 [0,1,0,0,0,0|1,0,2]=4 218 B11R1.12 c1ccc(cc1)C(=CO)C=O TS07413 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.16 C=COC(=O)c1ccccc1 TS07417 [0,1,0,0,0,0|1,0,1]=3 220 B11R1.16 CC(=CCO)c1ccccc1 TS07480 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.16 CC=CC(=O)c1ccccc1 TS07230 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.16 CCC=C(C)c1ccccc1 TS07266 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.16 CCCC(=C)c1ccccc1 TS40460 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.16 CCCC(=O)c1ccccc1 TS40658 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.16 CCCC(=O)c1ccccn1 TS07574 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.16 CCNC(=O)c1ccccc1 TS07570 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.16 CCNC(=O)c1cccnc1 TS40872 [0,1,0,0,0,0|1,0,0]=2 228 B11R1.16 CCOC(=N)c1ccccc1 TS39808 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.16 CCOC(=O)c1ccccc1 TS40849 [0,1,0,0,0,0|1,0,0]=2 230 B11R1.16 CCOC(=O)c1ccccn1 TS08499 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.16 CCOC(=O)c1cccnc1 TS41007 [0,1,0,0,0,0|0,0,0]=1 232 B11R1.16 CCOC(=O)c1ccncc1 TS01460 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.16 CCOC(=O)c1ccncn1 TS55949 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.16 CCOC(=O)c1cnccn1 TS41125 [0,1,0,0,0,0|1,0,0]=2 235 B11R1.16 CNCC(=O)c1ccccc1 TS15529 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.16 COCC(=O)c1ccccc1 TS09863 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.16 COC[C@@H](c1ccccc1)N TS41043 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.16 COC[C@H](c1ccccc1)N TS10083 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.16 c1cc(cnc1)C(=O)CC#N TS70697 [0,1,0,0,0,0|1,0,1]=3 240 B11R1.16 c1cc(cnc1)C(=O)N=[N+]=[N-] TS40606 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.16 c1cc(cnc1)C(=O)NCO TS41113 [0,1,0,0,0,0|1,0,0]=2 242 B11R1.16 c1ccc(cc1)C(=O)C=NO TS40717 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.16 c1ccc(cc1)C(=O)C=[N+]=[N-] TS40403 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.16 c1ccc(cc1)C(=O)CC#N TS39724 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.16 c1ccc(cc1)C(=O)CCCl TS12618 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.16 c1ccc(cc1)C(=O)N=C=O TS07295 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.16 c1ccc(cc1)C(=O)N=C=S TS01371 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.16 c1ccc(cc1)C(=O)NCO TS41014 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.16 c1ccc(cc1)C(=O)OCCl TS12930 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.16 c1ccc(cc1)C(=O)SCO TS44889 [0,1,0,0,0,0|1,1,0]=3 251 B11R1.16 c1ccc(cc1)S(=O)CCCl TS16096 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.22 CNC(=O)c1ccc(cc1)N TS70781 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.22 COC(=N)c1ccc(cc1)O TS15875 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.22 COC(=O)c1ccc(=O)oc1 TS10386 [0,1,0,0,0,0|1,0,0]=2 261 B11R1.22 COC(=O)c1ccc(cc1)Br TS56290 [0,1,0,0,0,0|1,0,0]=2 262 B11R1.22 COC(=O)c1ccc(cc1)Cl TS12922 [0,1,0,0,0,0|1,0,0]=2 263 B11R1.22 COC(=O)c1ccc(cc1)F TS16564 [0,1,0,0,0,0|1,0,0]=2 264 B11R1.22 COC(=O)c1ccc(cc1)I TS16571 [0,1,0,0,0,0|1,0,0]=2 265 B11R1.22 COC(=O)c1ccc(cc1)N TS08594 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.22 COC(=O)c1ccc(cc1)N TS50621 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.22 COC(=O)c1ccc(cc1)O TS10133 [0,1,0,0,0,0|1,0,0]=2 268 B11R1.22 COC(=O)c1ccc(cc1)O TS13446 [0,1,0,0,0,0|1,0,0]=2 269 B11R1.22 COC(=O)c1ccc(cc1)O TS51124 [0,1,0,0,0,0|1,0,0]=2 270 B11R1.22 COC(=O)c1ccc(cn1)Br TS56306 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.22 COC(=O)c1ccc(cn1)Cl TS85378 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.22 COC(=O)c1ccc(cn1)N TS89566 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.22 COC(=O)c1ccc(cn1)O TS89919 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.22 COC(=O)c1ccc(nc1)Br TS16473 [0,1,0,0,0,0|0,0,0]=1 275 B11R1.22 COC(=O)c1ccc(nc1)Cl TS59656 [0,1,0,0,0,0|0,0,0]=1 276 B11R1.22 COC(=O)c1ccc(nc1)F TS32946 [0,1,0,0,0,0|0,0,0]=1 277 B11R1.22 COC(=O)c1ccc(nc1)N TS16592 [0,1,0,0,0,0|0,0,0]=1 278 B11R1.22 COC(=O)c1ccc(nc1)O TS91589 [0,1,0,0,0,0|0,0,0]=1 279 B11R1.22 COC(=O)c1ccc(nn1)Cl TS16595 [0,1,0,0,0,0|1,0,0]=2 280 B11R1.22 COC(=O)c1ccc(nn1)N TS91351 [0,1,0,0,0,0|1,0,0]=2 281 B11R1.22 COC(=O)c1ccc(nn1)O TS86427 [0,1,0,0,0,0|1,0,0]=2 282 B11R1.22 COC(=O)c1ccn(=O)cc1 TS41255 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.22 COC(=O)c1cnc(cn1)Cl TS03262 [0,1,0,0,0,0|1,0,0]=2 284 B11R1.22 COC(=O)c1cnc(cn1)Cl TS91500 [0,1,0,0,0,0|1,0,0]=2 285 B11R1.22 COC(=O)c1cnc(cn1)O TS16585 [0,1,0,0,0,0|1,0,0]=2 286 B11R1.22 COC(=O)c1cnc(nc1)Cl TS87390 [0,1,0,0,0,0|1,0,0]=2 287 B11R1.22 COC(=O)c1cnc(nc1)N TS89966 [0,1,0,0,0,0|1,0,0]=2 288 B11R1.22 COC(=O)c1ncc(cn1)Br TS89654 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.22 COC(=O)c1ncc(cn1)N TS85632 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.22 COC(=O)c1ncc(cn1)N TS92309 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.22 COS(=O)c1ccc(cc1)Cl TS51207 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.22 Cc1ccc(cc1)C(=O)C#N TS07079 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.22 Cc1ccc(cc1)C(=O)NO TS10030 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [0,1,0,0,0,0|1,0,0]=2 303 B11R1.22 Cc1ccc(cc1)S(=O)OC TS12833 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.22 Cc1ccc(cn1)C(=O)OC TS56309 [0,1,0,0,0,0|0,0,0]=1 305 B11R1.22 Cc1cnc(cn1)C(=O)OC TS16587 [0,1,0,0,0,0|1,0,0]=2 306 B11R1.22 Cc1cnc(nc1)C(=O)OC TS90131 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.22 Cc1ncc(cn1)C(=O)OC TS85722 [0,1,0,0,0,0|1,0,0]=2 308 B11R1.22 c1cc(=O)[nH]cc1C(=O)NN TS10296 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.22 c1cc(ccc1C(=O)C#N)Br TS43721 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.22 c1cc(ccc1C(=O)C#N)Cl TS42963 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.22 c1cc(ccc1C(=O)C#N)F TS59853 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS44288 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS71005 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS15718 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS44934 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.22 c1cc(ccc1C(=O)C=O)O TS12485 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.22 c1cc(ccc1C(=O)CBr)Br TS31287 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.22 c1cc(ccc1C(=O)CBr)F TS00837 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.22 c1cc(ccc1C(=O)CBr)I TS00840 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.22 c1cc(ccc1C(=O)CBr)N TS08872 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.22 c1cc(ccc1C(=O)CCl)Br TS53521 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.22 c1cc(ccc1C(=O)CCl)F TS55185 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.22 c1cc(ccc1C(=O)CCl)O TS12920 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.22 c1cc(ccc1C(=O)CO)Br TS44630 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.22 c1cc(ccc1C(=O)CO)F TS41344 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.22 c1cc(ccc1C(=O)CO)I TS29736 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.22 c1cc(ccc1C(=O)NN)Br TS44646 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.22 c1cc(ccc1C(=O)NN)Cl TS45235 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.22 c1cc(ccc1C(=O)NN)F TS16671 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.22 c1cc(ccc1C(=O)NN)N TS41022 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.22 c1cc(ccc1C(=O)NN)O TS41128 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.22 c1cc(ccc1C(=O)NO)O TS10287 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.22 c1cc(ncc1C(=O)NN)Cl TS02149 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.22 c1cc(ncc1C(=O)NN)N TS10160 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.23 CCC(=O)c1cccc(c1)C TS40654 [0,1,0,0,0,0|2,0,0]=3 341 B11R1.23 CCC(=O)c1cccc(c1)Cl TS12612 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.23 CCC(=O)c1cccc(c1)F TS02767 [0,1,0,0,0,0|2,0,0]=3 343 B11R1.23 CCC(=O)c1cccc(c1)N TS40743 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.23 CCC(=O)c1cccc(c1)O TS02798 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.23 CNC(=O)c1cc(ccn1)Cl TS85370 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.23 CNC(=O)c1cccc(c1)N TS02663 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.23 CNC(=O)c1ccnc(c1)Br TS44645 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.23 COC(=O)c1cc(ccn1)Br TS56287 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56293 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56295 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.23 COC(=O)c1cc(ccn1)F TS09129 [0,1,0,0,0,0|2,0,0]=3 352 B11R1.23 COC(=O)c1cc(ccn1)I TS68677 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.23 COC(=O)c1cc(cnc1)Br TS44779 [0,1,0,0,0,0|0,0,0]=1 354 B11R1.23 COC(=O)c1cc(cnc1)Br TS85527 [0,1,0,0,0,0|0,0,0]=1 355 B11R1.23 COC(=O)c1cc(cnc1)F TS86193 [0,1,0,0,0,0|0,0,0]=1 356 B11R1.23 COC(=O)c1cc(cnc1)N TS56298 [0,1,0,0,0,0|0,0,0]=1 357 B11R1.23 COC(=O)c1cc(cnc1)O TS59798 [0,1,0,0,0,0|0,0,0]=1 358 B11R1.23 COC(=O)c1cc(nnc1)Cl TS90959 [0,1,0,0,0,0|1,0,0]=2 359 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 TS41248 [0,1,0,0,0,0|2,0,0]=3 360 B11R1.23 COC(=O)c1cccc(c1)Br TS56266 [0,1,0,0,0,0|1,0,0]=2 361 B11R1.23 COC(=O)c1cccc(c1)Cl TS12918 [0,1,0,0,0,0|1,0,0]=2 362 B11R1.23 COC(=O)c1cccc(c1)F TS41351 [0,1,0,0,0,0|1,0,0]=2 363 B11R1.23 COC(=O)c1cccc(c1)I TS70627 [0,1,0,0,0,0|1,0,0]=2 364 B11R1.23 COC(=O)c1cccc(c1)N TS10028 [0,1,0,0,0,0|1,0,0]=2 365 B11R1.23 COC(=O)c1cccc(c1)O TS10128 [0,1,0,0,0,0|1,0,0]=2 366 B11R1.23 COC(=O)c1cccc(n1)Br TS16475 [0,1,0,0,0,0|2,0,0]=3 367 B11R1.23 COC(=O)c1cccc(n1)Cl TS34580 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.23 COC(=O)c1cccc(n1)F TS85361 [0,1,0,0,0,0|2,0,0]=3 369 B11R1.23 COC(=O)c1cccc(n1)I TS68680 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.23 COC(=O)c1cccc(n1)N TS01210 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.23 COC(=O)c1ccnc(c1)Br TS00847 [0,1,0,0,0,0|2,0,0]=3 372 B11R1.23 COC(=O)c1ccnc(c1)Cl TS56251 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.23 COC(=O)c1ccnc(c1)F TS32975 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.23 COC(=O)c1ccnc(c1)I TS68679 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.23 COC(=O)c1ccnc(c1)N TS10155 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.23 COC(=O)c1ccnc(n1)Cl TS88958 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.23 COC(=O)c1cncc(n1)Cl TS16593 [0,1,0,0,0,0|1,0,0]=2 378 B11R1.23 COC(=O)c1cncc(n1)N TS01211 [0,1,0,0,0,0|1,0,0]=2 379 B11R1.23 COC(=O)c1nccc(n1)N TS56280 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.23 Cc1cc(cnc1)C(=O)OC TS02310 [0,1,0,0,0,0|0,0,0]=1 381 B11R1.23 Cc1cc(ncn1)C(=O)OC TS90103 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.23 Cc1cccc(c1)C(=O)C#N TS07086 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.23 Cc1cccc(c1)C(=O)NN TS40877 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.23 Cc1cccc(c1)C(=O)OC TS09871 [0,1,0,0,0,0|1,0,0]=2 385 B11R1.23 c1c(cncc1Br)C(=O)NN TS44783 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.23 c1cc(cc(c1)Br)C(=O)C#N TS43720 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr TS47138 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.23 c1cc(cc(c1)Br)C(=O)NN TS22887 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N TS42965 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr TS00836 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl TS50852 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN TS20094 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN TS45241 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO TS02719 [0,1,0,0,0,0|2,0,0]=3 395 B11R1.23 c1cc(cc(c1)F)C(=O)C#N TS40712 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.23 c1cc(cc(c1)F)C(=O)CBr TS70599 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.23 c1cc(cc(c1)F)C(=O)CCl TS09259 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.23 c1cc(cc(c1)F)C(=O)NN TS10394 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.23 c1cc(cc(c1)N)C(=O)CBr TS44452 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.23 c1cc(cc(c1)N)C(=O)NN TS10046 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.23 c1cc(cc(c1)O)C(=O)CBr TS44634 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.23 c1cc(cc(c1)O)C(=O)NN TS41112 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.36 CC(=O)C(=O)c1ccccc1 TS00506 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.36 CC(C(=O)c1ccccc1)Br TS21451 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.36 CC(C(=O)c1ccccc1)Cl TS00953 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.36 CC(C)C(=O)c1ccccc1 TS07468 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.36 CC(C)C(=O)c1ccccn1 TS07567 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.36 CN(C)C(=O)c1ccccc1 TS40744 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.36 CN(C)C(=O)c1cccnc1 TS09883 [0,1,0,0,0,0|1,0,0]=2 410 B11R1.36 c1ccc(cc1)C(=O)C(=O)O TS07652 [0,1,0,0,0,0|3,0,0]=4 411 B11R1.36 c1ccc(cc1)C(=O)C(Cl)Cl TS50848 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.36 c1ccc(cc1)C(=O)C(F)F TS10655 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.222 CCC(=O)c1ccccc1F TS01035 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.222 CCC(=O)c1ccccc1O TS09859 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.222 CNC(=O)c1ccccc1Br TS44448 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.222 CNC(=O)c1ccccc1N TS00814 [0,1,0,0,0,0|2,0,0]=3 417 B11R1.222 CNC(=O)c1ccccc1O TS41017 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.222 CNC(=O)c1cccnc1N TS10047 [0,1,0,0,0,0|1,0,0]=2 419 B11R1.222 COC(=O)c1c(cccn1)Br TS86373 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.222 COC(=O)c1c(cccn1)Cl TS56271 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.222 COC(=O)c1c(cccn1)F TS02769 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.222 COC(=O)c1c(cccn1)N TS08576 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.222 COC(=O)c1c(cccn1)O TS02799 [0,1,0,0,0,0|2,0,0]=3 424 B11R1.222 COC(=O)c1c(nccn1)Br TS87022 [0,1,0,0,0,0|1,0,0]=2 425 B11R1.222 COC(=O)c1c(nccn1)Cl TS16646 [0,1,0,0,0,0|1,0,0]=2 426 B11R1.222 COC(=O)c1c(nccn1)N TS08547 [0,1,0,0,0,0|1,0,0]=2 427 B11R1.222 COC(=O)c1c(nccn1)O TS41332 [0,1,0,0,0,0|1,0,0]=2 428 B11R1.222 COC(=O)c1ccc[nH]c1=O TS56261 [0,1,0,0,0,0|0,0,1]=2 429 B11R1.222 COC(=O)c1ccccc1Br TS44643 [0,1,0,0,0,0|1,0,0]=2 430 B11R1.222 COC(=O)c1ccccc1Cl TS12913 [0,1,0,0,0,0|1,0,0]=2 431 B11R1.222 COC(=O)c1ccccc1F TS56255 [0,1,0,0,0,0|1,0,0]=2 432 B11R1.222 COC(=O)c1ccccc1I TS29742 [0,1,0,0,0,0|1,0,0]=2 433 B11R1.222 COC(=O)c1ccccc1N TS56313 [0,1,0,0,0,0|1,0,0]=2 434 B11R1.222 COC(=O)c1ccccc1O TS10129 [0,1,0,0,0,0|1,0,0]=2 435 B11R1.222 COC(=O)c1ccccc1S TS44891 [0,1,0,0,0,0|1,0,0]=2 436 B11R1.222 COC(=O)c1cccnc1Br TS59949 [0,1,0,0,0,0|0,0,0]=1 437 B11R1.222 COC(=O)c1cccnc1Cl TS56252 [0,1,0,0,0,0|0,0,0]=1 438 B11R1.222 COC(=O)c1cccnc1F TS01029 [0,1,0,0,0,0|0,0,0]=1 439 B11R1.222 COC(=O)c1cccnc1N TS08546 [0,1,0,0,0,0|0,0,0]=1 440 B11R1.222 COC(=O)c1cccnc1O TS41251 [0,1,0,0,0,0|0,0,0]=1 441 B11R1.222 COC(=O)c1ccn[nH]c1=O TS89730 [0,1,0,0,0,0|1,0,1]=3 442 B11R1.222 COC(=O)c1ccncc1Br TS86589 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.222 COC(=O)c1ccncc1I TS70635 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.222 COC(=O)c1ccncc1N TS41123 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.222 COC(=O)c1ccncc1O TS41246 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.222 COC(=O)c1ccnnc1N TS94860 [0,1,0,0,0,0|1,0,0]=2 447 B11R1.222 COC(=O)c1cnccc1Cl TS09678 [0,1,0,0,0,0|0,0,0]=1 448 B11R1.222 COC(=O)c1cnccc1N TS08595 [0,1,0,0,0,0|0,0,0]=1 449 B11R1.222 COC(=O)c1cnccc1O TS16569 [0,1,0,0,0,0|0,0,0]=1 450 B11R1.222 Cc1c(cccn1)C(=O)OC TS56260 [0,1,0,0,0,0|0,0,0]=1 451 B11R1.222 Cc1ccccc1C(=O)C#N TS07084 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.222 Cc1ccccc1C(=O)NC TS40759 [0,1,0,0,0,0|2,0,0]=3 453 B11R1.222 Cc1ccccc1C(=O)NN TS40876 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.222 Cc1ccccc1C(=O)OC TS09866 [0,1,0,0,0,0|1,0,0]=2 455 B11R1.222 Cc1cccnc1C(=O)OC TS10019 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.222 Cc1ccncc1C(=O)OC TS16573 [0,1,0,0,0,0|0,0,0]=1 457 B11R1.222 Cc1cnccc1C(=O)OC TS90300 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.222 Cc1cnncc1C(=O)OC TS91909 [0,1,0,0,0,0|1,0,0]=2 459 B11R1.222 c1ccc(c(c1)C(=O)C#N)Br TS43719 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl TS42962 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.222 c1ccc(c(c1)C(=O)C#N)F TS40715 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.222 c1ccc(c(c1)C(=O)CBr)Br TS00854 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl TS08386 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.222 c1ccc(c(c1)C(=O)CBr)F TS01031 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.222 c1ccc(c(c1)C(=O)CBr)O TS44636 [0,1,0,0,0,0|3,0,0]=4 466 B11R1.222 c1ccc(c(c1)C(=O)CCl)N TS08140 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.222 c1ccc(c(c1)C(=O)CN)F TS08266 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.222 c1ccc(c(c1)C(=O)NN)Br TS44649 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl TS45234 [0,1,0,0,0,0|3,0,0]=4 470 B11R1.222 c1ccc(c(c1)C(=O)NN)F TS10393 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.222 c1ccc(c(c1)C(=O)NN)I TS29743 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.222 c1ccc(c(c1)C(=O)NN)N TS41026 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.222 c1ccc(c(c1)C(=O)NN)O TS41118 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.222 c1ccc(c(c1)C(=O)NO)N TS10147 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.222 c1ccc(c(c1)C(=O)NO)O TS22737 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.222 c1cnc(c(n1)C(=O)NN)N TS10305 [0,1,0,0,0,0|3,0,0]=4 477 B9R0.46 COC(=O)CCC=CC=C TS37385 [0,0,1,0,0,0|1,0,2]=4 478 B11R2.1 Cc1c2cccnc2[nH]n1 TS88546 [0,0,0,1,0,0|3,0,0]=4 479 B11R2.1 Cc1c2cnccc2[nH]n1 TS88623 [0,0,0,1,0,0|3,0,0]=4 480 B11R2.1 Cc1c[nH]c2c1cccn2 TS05738 [0,0,0,1,0,0|3,0,0]=4 481 B11R2.1 c1cc2c([nH]nc2Br)nc1 TS91175 [0,0,0,1,0,0|3,0,0]=4 482 B11R2.1 c1cc2c([nH]nc2I)nc1 TS89610 [0,0,0,1,0,0|3,0,0]=4 483 B11R2.1 c1cc2c(c[nH]c2nc1)Br TS09471 [0,0,0,1,0,0|3,0,0]=4 484 B11R2.1 c1cc2c(c[nH]c2nc1)Cl TS41209 [0,0,0,1,0,0|3,0,0]=4 485 B11R2.1 c1cc2c(c[nH]c2nc1)I TS02807 [0,0,0,1,0,0|3,0,0]=4 486 B11R2.1 c1cc2c(c[nH]c2nc1)I TS85593 [0,0,0,1,0,0|3,0,0]=4 487 B11R2.1 c1cc2c(c[nH]c2nc1)N TS59907 [0,0,0,1,0,0|3,0,0]=4 488 B11R2.1 c1cc2c(c[nH]c2nc1)N TS65873 [0,0,0,1,0,0|3,0,0]=4 489 B11R2.1 c1cc2c(n[nH]c2nc1)N TS85316 [0,0,0,1,0,0|3,0,0]=4 490 B11R2.1 c1cc2c(nc1)C(=O)CC2 TS71343 [0,0,0,1,0,0|3,0,0]=4 491 B11R2.1 c1cc2c(nc1)CCC2=O TS01198 [0,0,0,1,0,0|1,0,0]=2 492 B11R2.1 c1cc2c(nc1)CCC2N TS59726 [0,0,0,1,0,0|2,0,1]=4 493 B11R2.1 c1cc2c(nc1)COC2=O TS05972 [0,0,0,1,0,0|0,0,0]=1 494 B11R2.1 c1cc2c(noc2nc1)N TS05975 [0,0,0,1,0,0|3,0,0]=4 495 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [0,0,0,1,0,0|3,0,0]=4 496 B11R2.1 c1ccc2c(c1)CC=C2Br TS51953 [0,0,0,1,0,0|3,0,0]=4 497 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [0,0,0,1,0,0|2,0,0]=3 498 B11R2.1 c1ccc2c(c1)CN=C2N TS12625 [0,0,0,1,0,0|3,0,0]=4 499 B11R2.1 c1ccc2c(c1)COC2=O TS36800 [0,0,0,1,0,0|1,0,0]=2 500 B11R2.1 c1ccc2c(c1)COC2=O TS94299 [0,0,0,1,0,0|1,0,0]=2 501 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 TS93611 [0,0,0,1,0,0|3,0,0]=4 502 B11R2.1 c1ccc2c(c1)c(=O)ss2 TS12573 [0,0,0,1,0,0|2,1,0]=4 503 B11R2.1 c1ccc2c(c1)non2=O TS06044 [0,0,0,1,0,0|3,0,0]=4 504 B11R2.1 c1cncc2c1CNC2=O TS91296 [0,0,0,1,0,0|1,0,0]=2 505 B11R2.1 c1cncc2c1COC2=O TS05973 [0,0,0,1,0,0|0,0,0]=1 506 B11R2.1 c1cncc2c1[nH]cc2Br TS18397 [0,0,0,1,0,0|3,0,0]=4 507 B11R2.1 c1cncc2c1[nH]cc2I TS61938 [0,0,0,1,0,0|3,0,0]=4 508 B11R2.1 c1cncc2c1[nH]cc2N TS36758 [0,0,0,1,0,0|3,0,0]=4 509 B11R2.1 c1cncc2c1[nH]nc2Br TS88152 [0,0,0,1,0,0|3,0,0]=4 510 B11R2.1 c1cncc2c1[nH]nc2I TS92944 [0,0,0,1,0,0|3,0,0]=4 511 B11R2.40 CC1(CO1)c2ccccc2 TS36836 [0,0,0,1,0,0|2,0,1]=4 512 B11R2.40 c1cc(cnc1)C2(CC2)N TS47030 [0,0,0,1,0,0|2,0,1]=4 513 B9R1.11 CCC(=O)c1ccco1 TS07974 [0,0,0,0,1,0|2,0,0]=3 514 B9R1.11 CCC(=O)c1cccs1 TS37392 [0,0,0,0,1,0|2,0,0]=3 515 B9R1.11 CCC(=O)c1nccs1 TS37503 [0,0,0,0,1,0|2,0,0]=3 516 B9R1.11 CCC(=O)n1ccnc1 TS32614 [0,0,0,0,1,0|2,0,0]=3 517 B9R1.11 COC(=O)C1=CCCC1 TS85230 [0,0,0,0,1,0|0,0,3]=4 518 B9R1.11 COC(=O)C1CC=CC1 TS05159 [0,0,0,0,1,0|0,0,3]=4 519 B9R1.11 COC(=O)[C@@H]1C=CCN1 TS11768 [0,0,0,0,1,0|0,0,3]=4 520 B9R1.11 COC(=O)c1[nH]ccn1 TS87683 [0,0,0,0,1,0|1,0,0]=2 521 B9R1.11 COC(=O)c1c[nH]cn1 TS01547 [0,0,0,0,1,0|1,0,0]=2 522 B9R1.11 COC(=O)c1c[nH]nc1 TS36104 [0,0,0,0,1,0|1,0,0]=2 523 B9R1.11 COC(=O)c1cc[nH]n1 TS01548 [0,0,0,0,1,0|1,0,0]=2 524 B9R1.11 COC(=O)c1ccc[nH]1 TS01549 [0,0,0,0,1,0|0,0,1]=2 525 B9R1.11 COC(=O)c1ccco1 TS56258 [0,0,0,0,1,0|1,0,0]=2 526 B9R1.11 COC(=O)c1cccs1 TS37577 [0,0,0,0,1,0|1,0,0]=2 527 B9R1.11 COC(=O)c1cccs1 TS37579 [0,0,0,0,1,0|1,0,0]=2 528 B9R1.11 COC(=O)c1ccns1 TS56200 [0,0,0,0,1,0|1,0,0]=2 529 B9R1.11 COC(=O)c1ccoc1 TS00187 [0,0,0,0,1,0|1,0,0]=2 530 B9R1.11 COC(=O)c1ccsc1 TS37576 [0,0,0,0,1,0|1,0,0]=2 531 B9R1.11 COC(=O)c1cncs1 TS01561 [0,0,0,0,1,0|1,0,0]=2 532 B9R1.11 COC(=O)c1cnoc1 TS05236 [0,0,0,0,1,0|1,0,0]=2 533 B9R1.11 COC(=O)c1cscn1 TS01560 [0,0,0,0,1,0|1,0,0]=2 534 B9R1.11 COC(=O)c1nc[nH]n1 TS01546 [0,0,0,0,1,0|2,0,0]=3 535 B9R1.11 COC(=O)n1cccc1 TS05085 [0,0,0,0,1,0|1,0,0]=2 536 B9R1.11 c1c(con1)C(=O)NN TS05240 [0,0,0,0,1,0|3,0,0]=4 537 B9R1.11 c1c(nco1)C(=O)NN TS05252 [0,0,0,0,1,0|3,0,0]=4 538 B9R1.11 c1c(ncs1)C(=O)NN TS40077 [0,0,0,0,1,0|3,0,0]=4 539 B9R1.11 c1c(ocn1)C(=O)NN TS05248 [0,0,0,0,1,0|3,0,0]=4 540 B9R1.11 c1c(scn1)C(=O)NN TS40073 [0,0,0,0,1,0|3,0,0]=4 541 B9R1.11 c1cc([nH]c1)C(=O)CCl TS40119 [0,0,0,0,1,0|2,0,1]=4 542 B9R1.11 c1cc(oc1)C(=O)NN TS36103 [0,0,0,0,1,0|3,0,0]=4 543 B9R1.11 c1cc(sc1)C(=O)CBr TS47079 [0,0,0,0,1,0|3,0,0]=4 544 B9R1.11 c1cc(sc1)C(=O)CCl TS42252 [0,0,0,0,1,0|3,0,0]=4 545 B9R1.11 c1cc(sc1)C(=O)NN TS37584 [0,0,0,0,1,0|3,0,0]=4 546 B9R1.11 c1cn[nH]c1C(=O)NN TS86178 [0,0,0,0,1,0|3,0,0]=4 547 B9R1.11 c1coc(n1)C(=O)NN TS05247 [0,0,0,0,1,0|3,0,0]=4 548 B9R1.11 c1csc(n1)C(=O)CBr TS00230 [0,0,0,0,1,0|3,0,0]=4 549 B9R1.11 c1csc(n1)C(=O)NN TS40074 [0,0,0,0,1,0|3,0,0]=4 550 B9R1.11 c1cscc1C(=O)CBr TS09435 [0,0,0,0,1,0|3,0,0]=4 551 B9R1.11 c1cscc1C(=O)NN TS37589 [0,0,0,0,1,0|3,0,0]=4 552 B11R1.40 C=CC(=O)Oc1ccccc1 TS07421 [0,0,0,0,0,1|2,0,1]=4 553 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [0,0,0,0,0,1|3,0,0]=4 554 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [0,0,0,0,0,1|2,0,0]=3 555 B11R1.40 CCC(=O)Nc1ccccc1 TS29506 [0,0,0,0,0,1|2,0,0]=3 556 B11R1.40 CNC(=O)Nc1ccccc1 TS09898 [0,0,0,0,0,1|2,0,0]=3 557 B11R1.40 CNC(=S)Nc1ccccc1 TS12286 [0,0,0,0,0,1|2,1,0]=4 558 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [0,0,0,0,0,1|1,0,0]=2 559 B11R1.40 COC(=O)Cc1ccccn1 TS39400 [0,0,0,0,0,1|2,0,0]=3 560 B11R1.40 COC(=O)Cc1cccnc1 TS90627 [0,0,0,0,0,1|0,0,0]=1 561 B11R1.40 COC(=O)Cc1cccnn1 TS85573 [0,0,0,0,0,1|1,0,0]=2 562 B11R1.40 COC(=O)Cc1ccncc1 TS10039 [0,0,0,0,0,1|2,0,0]=3 563 B11R1.40 COC(=O)Cc1ccncn1 TS88322 [0,0,0,0,0,1|3,0,0]=4 564 B11R1.40 COC(=O)Cc1ccnnc1 TS90137 [0,0,0,0,0,1|1,0,0]=2 565 B11R1.40 COC(=O)Cc1cnccn1 TS88028 [0,0,0,0,0,1|1,0,0]=2 566 B11R1.40 COC(=O)Nc1ccccc1 TS41003 [0,0,0,0,0,1|1,0,0]=2 567 B11R1.40 c1cc(cnc1)CC(=O)NN TS10044 [0,0,0,0,0,1|2,0,0]=3 568 B11R1.40 c1cc(cnc1)NC(=S)NN TS44896 [0,0,0,0,0,1|2,1,0]=4 569 B11R1.40 c1ccc(cc1)CC(=O)CCl TS44955 [0,0,0,0,0,1|3,0,0]=4 570 B11R1.40 c1ccc(cc1)CC(=O)NN TS09901 [0,0,0,0,0,1|3,0,0]=4 571 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [0,0,0,0,0,1|3,0,0]=4 572 B11R1.40 c1ccc(cc1)NC(=O)CCl TS12724 [0,0,0,0,0,1|3,0,0]=4 573 B11R1.40 c1ccc(cc1)NC(=O)CS TS12417 [0,0,0,0,0,1|3,0,0]=4 574 B11R1.40 c1ccc(cc1)NC(=O)NN TS41023 [0,0,0,0,0,1|3,0,0]=4 575 B11R1.40 c1ccc(cc1)NC(=O)NN TS50626 [0,0,0,0,0,1|3,0,0]=4 576 B11R1.40 c1ccc(cc1)OC(=O)CBr TS44644 [0,0,0,0,0,1|3,0,0]=4 577 B11R1.40 c1ccc(cc1)OC(=O)CCl TS12932 [0,0,0,0,0,1|3,0,0]=4 578 B8R0.6 CC=CC=CC(=O)OC TS05163 [1,0,1,0,0,0|0,0,1]=3 579 B8R0.7 C(=CSC=NN)C(=O)O TS62002 [1,0,1,0,0,0|2,0,0]=4 580 B8R1.2 C#Cc1cccnc1 TS16364 [2,0,0,0,0,0|0,0,2]=4 581 B8R1.2 C=Cc1ccccc1 TS04045 [2,0,0,0,0,0|1,0,1]=4 582 B8R1.2 C=Cc1cccnc1 TS31705 [2,0,0,0,0,0|0,0,1]=3 583 B8R1.2 C=Cc1cnccn1 TS04089 [2,0,0,0,0,0|1,0,1]=4 584 B8R1.2 CCc1ccccc1 TS04102 [2,0,0,0,0,0|1,0,1]=4 585 B8R1.2 CCc1cccnc1 TS04113 [2,0,0,0,0,0|0,0,1]=3 586 B8R1.2 CCc1cnccn1 TS31774 [2,0,0,0,0,0|1,0,1]=4 587 B8R1.2 CNc1ccccc1 TS31758 [2,0,0,0,0,0|2,0,0]=4 588 B8R1.2 CNc1ccccc1 TS40129 [2,0,0,0,0,0|2,0,0]=4 589 B8R1.2 CNc1cccnc1 TS09432 [2,0,0,0,0,0|1,0,0]=3 590 B8R1.2 CNc1cnccn1 TS31803 [2,0,0,0,0,0|2,0,0]=4 591 B8R1.2 COc1ccccc1 TS39801 [2,0,0,0,0,0|1,0,0]=3 592 B8R1.2 COc1cccnn1 TS02827 [2,0,0,0,0,0|1,0,0]=3 593 B8R1.2 COc1ccncc1 TS03163 [2,0,0,0,0,0|2,0,0]=4 594 B8R1.2 COc1cnccn1 TS55429 [2,0,0,0,0,0|1,0,0]=3 595 B8R1.2 CPc1ccccc1 TS32592 [2,0,0,0,0,0|2,0,0]=4 596 B8R1.2 CSc1ccccc1 TS36022 [2,0,0,0,0,0|1,1,0]=4 597 B8R1.2 CSc1cccnc1 TS05108 [2,0,0,0,0,0|0,1,0]=3 598 B8R1.2 CSc1cnccn1 TS55418 [2,0,0,0,0,0|1,1,0]=4 599 B8R1.2 C[NH2+]c1ccccc1 TS49917 [2,0,0,0,0,0|2,0,0]=4 600 B8R1.2 C[SiH2]c1ccccc1 TS04929 [2,0,0,0,0,0|1,1,0]=4 601 B8R1.2 c1c(cncn1)C=O TS01668 [2,0,0,0,0,0|1,0,0]=3 602 B8R1.2 c1c(cncn1)CO TS55504 [2,0,0,0,0,0|1,0,1]=4 603 B8R1.2 c1cc(cnc1)C#N TS02037 [2,0,0,0,0,0|1,0,1]=4 604 B8R1.2 c1cc(cnc1)CBr TS09437 [2,0,0,0,0,0|1,0,1]=4 605 B8R1.2 c1cc(cnc1)CCl TS00113 [2,0,0,0,0,0|1,0,1]=4 606 B8R1.2 c1cc(cnc1)CCl TS02031 [2,0,0,0,0,0|1,0,1]=4 607 B8R1.2 c1cc(cnc1)CI TS49544 [2,0,0,0,0,0|1,0,1]=4 608 B8R1.2 c1cc(cnc1)CI TS64566 [2,0,0,0,0,0|1,0,1]=4 609 B8R1.2 c1cc(cnc1)CN TS02883 [2,0,0,0,0,0|1,0,1]=4 610 B8R1.2 c1cc(cnc1)CO TS92960 [2,0,0,0,0,0|0,0,1]=3 611 B8R1.2 c1cc(cnc1)CO TS93835 [2,0,0,0,0,0|0,0,1]=3 612 B8R1.2 c1cc(cnc1)NN TS87727 [2,0,0,0,0,0|2,0,0]=4 613 B8R1.2 c1cc(nnc1)C=O TS59366 [2,0,0,0,0,0|1,0,0]=3 614 B8R1.2 c1cc(nnc1)CO TS59365 [2,0,0,0,0,0|1,0,1]=4 615 B8R1.2 c1ccc(cc1)C=O TS43757 [2,0,0,0,0,0|1,0,0]=3 616 B8R1.2 c1ccc(cc1)CO TS31769 [2,0,0,0,0,0|1,0,1]=4 617 B8R1.2 c1ccc(cc1)I=O TS49692 [2,0,0,0,0,0|2,0,0]=4 618 B8R1.2 c1ccc(cc1)N=O TS31751 [2,0,0,0,0,0|2,0,0]=4 619 B8R1.2 c1ccc(cc1)NO TS31793 [2,0,0,0,0,0|2,0,0]=4 620 B8R1.2 c1ccc(cc1)NO TS37696 [2,0,0,0,0,0|2,0,0]=4 621 B8R1.2 c1ccc(cc1)ON TS07146 [2,0,0,0,0,0|2,0,0]=4 622 B8R1.2 c1ccnc(c1)C=O TS02469 [2,0,0,0,0,0|2,0,0]=4 623 B8R1.2 c1cnc(cn1)C=O TS31759 [2,0,0,0,0,0|1,0,0]=3 624 B8R1.2 c1cnc(cn1)CO TS88438 [2,0,0,0,0,0|1,0,1]=4 625 B8R1.2 c1cnccc1C=O TS59369 [2,0,0,0,0,0|2,0,0]=4 626 B8R1.2 c1cnncc1C=O TS87334 [2,0,0,0,0,0|1,0,0]=3 627 B8R1.2 c1cnncc1CO TS89532 [2,0,0,0,0,0|1,0,1]=4 628 B10R1.13 B(c1ccc(nc1)Br)(O)O TS00865 [1,1,0,0,0,0|1,0,1]=4 629 B10R1.13 B(c1ccc(nc1)C)(O)O TS55461 [1,1,0,0,0,0|1,0,1]=4 630 B10R1.13 B(c1ccc(nc1)C)(O)S TS01189 [1,1,0,0,0,0|1,1,0]=4 631 B10R1.13 B(c1ccc(nc1)Cl)(O)O TS00956 [1,1,0,0,0,0|1,0,1]=4 632 B10R1.13 B(c1ccc(nc1)F)(O)O TS55353 [1,1,0,0,0,0|1,0,1]=4 633 B10R1.13 B(c1ccc(nc1)N)(O)O TS90857 [1,1,0,0,0,0|1,0,1]=4 634 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [1,1,0,0,0,0|1,0,0]=3 637 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [1,1,0,0,0,0|1,0,0]=3 638 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [1,1,0,0,0,0|1,0,0]=3 640 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [1,1,0,0,0,0|0,0,0]=2 644 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [1,1,0,0,0,0|0,0,0]=2 645 B10R1.13 CC(=O)c1ccc(nn1)Cl TS88128 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.13 CC(=O)c1cnc(cn1)Cl TS10794 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [1,1,0,0,0,0|0,0,0]=2 660 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [1,1,0,0,0,0|1,0,0]=3 661 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [1,1,0,0,0,0|0,0,0]=2 662 B10R1.13 Cc1ccc(cn1)C(=S)N TS41172 [1,1,0,0,0,0|1,1,0]=4 663 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] TS55458 [1,1,0,0,0,0|1,0,1]=4 664 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [1,1,0,0,0,0|1,0,0]=3 667 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [1,1,0,0,0,0|1,0,0]=3 668 B10R1.13 c1c(cnc(n1)Cl)C(=O)O TS00962 [1,1,0,0,0,0|1,0,0]=3 669 B10R1.13 c1c(cnc(n1)N)C(=O)O TS00824 [1,1,0,0,0,0|1,0,0]=3 670 B10R1.13 c1c(cnc(n1)O)C(=O)O TS86644 [1,1,0,0,0,0|1,0,0]=3 671 B10R1.13 c1c(ncc(n1)Cl)C(=O)O TS71521 [1,1,0,0,0,0|1,0,0]=3 672 B10R1.13 c1c(ncc(n1)N)C(=O)O TS47452 [1,1,0,0,0,0|1,0,0]=3 673 B10R1.13 c1c(ncc(n1)O)C(=O)O TS03342 [1,1,0,0,0,0|1,0,0]=3 674 B10R1.13 c1cc(=O)[nH]nc1C(=O)O TS16305 [1,1,0,0,0,0|1,0,1]=4 675 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [1,1,0,0,0,0|1,0,0]=3 676 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [1,1,0,0,0,0|1,0,0]=3 687 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [1,1,0,0,0,0|1,0,0]=3 689 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [1,1,0,0,0,0|1,0,0]=3 692 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [1,1,0,0,0,0|1,0,0]=3 693 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [1,1,0,0,0,0|1,0,0]=3 694 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [1,1,0,0,0,0|1,0,1]=4 695 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [1,1,0,0,0,0|1,0,1]=4 696 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [1,1,0,0,0,0|1,0,1]=4 697 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [1,1,0,0,0,0|1,0,1]=4 698 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [1,1,0,0,0,0|1,0,1]=4 699 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.13 c1cc(ncc1C(=N)N)F TS92781 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [1,1,0,0,0,0|1,0,0]=3 703 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [1,1,0,0,0,0|0,0,0]=2 706 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [1,1,0,0,0,0|0,0,0]=2 707 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [1,1,0,0,0,0|0,0,0]=2 708 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [1,1,0,0,0,0|0,0,0]=2 709 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [1,1,0,0,0,0|0,0,0]=2 710 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [1,1,0,0,0,0|0,0,0]=2 711 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [1,1,0,0,0,0|0,0,0]=2 712 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br TS55133 [1,1,0,0,0,0|1,0,1]=4 718 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl TS00925 [1,1,0,0,0,0|1,0,1]=4 719 B10R1.13 c1cc(ncc1[N+](=O)[O-])F TS01017 [1,1,0,0,0,0|1,0,1]=4 720 B10R1.13 c1cc(ncc1[N+](=O)[O-])I TS62780 [1,1,0,0,0,0|1,0,1]=4 721 B10R1.13 c1cc(ncc1[N+](=O)[O-])N TS37258 [1,1,0,0,0,0|1,0,1]=4 722 B10R1.13 c1cc(ncc1[N+](=O)[O-])O TS01055 [1,1,0,0,0,0|1,0,1]=4 723 B10R1.13 c1cc(ncc1[N+](=O)[O-])S TS10668 [1,1,0,0,0,0|1,0,1]=4 724 B10R1.13 c1cc(nnc1C(=O)N)Cl TS41834 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.13 c1cc(nnc1C(=O)O)Cl TS55585 [1,1,0,0,0,0|1,0,0]=3 726 B10R1.13 c1cc(nnc1C(=O)O)N TS01212 [1,1,0,0,0,0|1,0,0]=3 727 B10R1.13 c1cc(nnc1C(=O)O)O TS88093 [1,1,0,0,0,0|1,0,0]=3 728 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.28 CC(C)(c1cccnc1)N TS06108 [1,1,0,0,0,0|1,0,1]=4 730 B10R1.28 CP(=O)(c1ccccc1)O TS10652 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.28 CS(=N)(=O)c1ccccc1 TS10592 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.28 CS(=N)(=O)c1ccccc1 TS10595 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.28 CS(=O)(=O)c1ccccc1 TS10691 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl TS59375 [1,1,0,0,0,0|1,0,1]=4 735 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl TS93392 [1,1,0,0,0,0|1,0,1]=4 736 B10R1.28 c1cc(cnc1)S(=O)(=O)O TS02890 [1,1,0,0,0,0|1,0,0]=3 737 B10R1.28 c1cc(cnc1)S(=O)(=O)[O-] TS48048 [1,1,0,0,0,0|1,0,1]=4 738 B10R1.28 c1ccc(cc1)P(=O)(O)O TS29485 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.28 c1ccc(cc1)S(=O)(=O)O TS10960 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.28 c1ccc(cc1)S(=O)(=O)O TS24749 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.61 B(c1cccnc1Cl)(O)O TS55212 [1,1,0,0,0,0|1,0,1]=4 742 B10R1.61 B(c1cccnc1F)(O)O TS94662 [1,1,0,0,0,0|1,0,1]=4 743 B10R1.61 B(c1cnccc1C)(O)O TS46549 [1,1,0,0,0,0|1,0,1]=4 744 B10R1.61 B(c1cnccc1Cl)(O)O TS41827 [1,1,0,0,0,0|1,0,1]=4 745 B10R1.61 CC(=C)c1ccccc1N TS36780 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.61 CC(=O)c1c(nccn1)Cl TS90872 [1,1,0,0,0,0|1,0,0]=3 751 B10R1.61 CC(=O)c1c(nccn1)N TS87446 [1,1,0,0,0,0|1,0,0]=3 752 B10R1.61 CC(=O)c1ccccc1Br TS54149 [1,1,0,0,0,0|1,0,0]=3 753 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [1,1,0,0,0,0|1,0,0]=3 754 B10R1.61 CC(=O)c1ccccc1F TS37171 [1,1,0,0,0,0|1,0,0]=3 755 B10R1.61 CC(=O)c1ccccc1I TS62238 [1,1,0,0,0,0|1,0,0]=3 756 B10R1.61 CC(=O)c1ccccc1O TS01063 [1,1,0,0,0,0|1,0,0]=3 757 B10R1.61 CC(=O)c1cccnc1Br TS18940 [1,1,0,0,0,0|0,0,0]=2 758 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [1,1,0,0,0,0|0,0,0]=2 759 B10R1.61 CC(=O)c1cccnc1F TS02616 [1,1,0,0,0,0|0,0,0]=2 760 B10R1.61 CC(=O)c1cccnc1N TS08276 [1,1,0,0,0,0|0,0,0]=2 761 B10R1.61 CC(=O)c1ccncc1Br TS18937 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.61 CC(=O)c1ccncc1Br TS76034 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.61 CC(=O)c1ccncc1F TS08156 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.61 CC(=O)c1ccncc1N TS06058 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.61 CC(=O)c1cnccc1F TS37273 [1,1,0,0,0,0|0,0,0]=2 766 B10R1.61 CC(c1cccnc1Br)N TS19152 [1,1,0,0,0,0|1,0,1]=4 767 B10R1.61 CC(c1cccnc1N)O TS37203 [1,1,0,0,0,0|0,0,2]=4 768 B10R1.61 CS(=O)c1ccccc1O TS41630 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.61 Cc1c(cccn1)C(=O)O TS59977 [1,1,0,0,0,0|0,0,0]=2 770 B10R1.61 Cc1c(cccn1)C(=O)O TS89838 [1,1,0,0,0,0|0,0,0]=2 771 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] TS01118 [1,1,0,0,0,0|1,0,1]=4 772 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] TS86948 [1,1,0,0,0,0|1,0,1]=4 773 B10R1.61 Cc1c(ccnn1)C(=O)O TS88637 [1,1,0,0,0,0|1,0,0]=3 774 B10R1.61 Cc1c(nccn1)C(=O)C TS06062 [1,1,0,0,0,0|1,0,0]=3 775 B10R1.61 Cc1c(nccn1)C(=O)O TS70673 [1,1,0,0,0,0|1,0,0]=3 776 B10R1.61 Cc1ccccc1C(=C)C TS05768 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.61 Cc1ccccc1C(=O)C TS36852 [1,1,0,0,0,0|1,0,0]=3 778 B10R1.61 Cc1ccccc1C(=O)Cl TS60155 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.61 Cc1ccccc1C(=O)N TS36917 [1,1,0,0,0,0|2,0,0]=4 780 B10R1.61 Cc1ccccc1C(=O)O TS01622 [1,1,0,0,0,0|1,0,0]=3 781 B10R1.61 Cc1cccnc1C(=O)O TS37085 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.61 Cc1cccnc1C(=O)O TS60354 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.61 Cc1ccncc1C(=O)O TS39766 [1,1,0,0,0,0|0,0,0]=2 784 B10R1.61 Cc1ccncc1C(=O)O TS71235 [1,1,0,0,0,0|0,0,0]=2 785 B10R1.61 Cc1ccncc1[N+](=O)[O-] TS71233 [1,1,0,0,0,0|1,0,1]=4 786 B10R1.61 Cc1ccnnc1C(=O)O TS87416 [1,1,0,0,0,0|1,0,0]=3 787 B10R1.61 Cc1cnccc1C(=O)O TS06159 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.61 Cc1cnccc1C(=O)O TS86033 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.61 Cc1cnncc1C(=O)O TS87483 [1,1,0,0,0,0|1,0,0]=3 790 B10R1.61 c1c(c(cnn1)N)C(=O)O TS71384 [1,1,0,0,0,0|1,0,0]=3 791 B10R1.61 c1c(c(ncn1)N)C(=O)O TS70923 [1,1,0,0,0,0|1,0,0]=3 792 B10R1.61 c1c(c(ncn1)O)C(=O)N TS37260 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.61 c1cc(c(nc1)Br)C(=O)N TS19143 [1,1,0,0,0,0|1,0,0]=3 794 B10R1.61 c1cc(c(nc1)Br)C(=O)O TS00853 [1,1,0,0,0,0|0,0,0]=2 795 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] TS08312 [1,1,0,0,0,0|1,0,1]=4 796 B10R1.61 c1cc(c(nc1)C(=O)O)Br TS85444 [1,1,0,0,0,0|2,0,0]=4 797 B10R1.61 c1cc(c(nc1)C(=O)O)Cl TS66011 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.61 c1cc(c(nc1)C(=O)O)F TS70603 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.61 c1cc(c(nc1)C(=O)O)I TS27852 [1,1,0,0,0,0|2,0,0]=4 800 B10R1.61 c1cc(c(nc1)C(=O)O)N TS02640 [1,1,0,0,0,0|2,0,0]=4 801 B10R1.61 c1cc(c(nc1)C(=O)O)O TS02795 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.61 c1cc(c(nc1)C(=O)O)S TS51373 [1,1,0,0,0,0|2,0,0]=4 803 B10R1.61 c1cc(c(nc1)Cl)C(=N)N TS10626 [1,1,0,0,0,0|2,0,0]=4 804 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl TS23000 [1,1,0,0,0,0|1,0,0]=3 805 B10R1.61 c1cc(c(nc1)Cl)C(=O)N TS00077 [1,1,0,0,0,0|1,0,0]=3 806 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS51738 [1,1,0,0,0,0|0,0,0]=2 807 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS55284 [1,1,0,0,0,0|0,0,0]=2 808 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] TS55209 [1,1,0,0,0,0|1,0,1]=4 809 B10R1.61 c1cc(c(nc1)F)C(=O)O TS01039 [1,1,0,0,0,0|0,0,0]=2 810 B10R1.61 c1cc(c(nc1)F)[N+](=O)[O-] TS08407 [1,1,0,0,0,0|1,0,1]=4 811 B10R1.61 c1cc(c(nc1)N)C(=O)N TS06174 [1,1,0,0,0,0|1,0,0]=3 812 B10R1.61 c1cc(c(nc1)N)C(=O)O TS85373 [1,1,0,0,0,0|0,0,0]=2 813 B10R1.61 c1cc(c(nc1)N)C(=O)O TS90622 [1,1,0,0,0,0|0,0,0]=2 814 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] TS00726 [1,1,0,0,0,0|1,0,1]=4 815 B10R1.61 c1cc(c(nc1)O)C(=O)O TS02008 [1,1,0,0,0,0|0,0,0]=2 816 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] TS55387 [1,1,0,0,0,0|1,0,1]=4 817 B10R1.61 c1cc(c(nc1)S)C(=O)O TS41510 [1,1,0,0,0,0|0,0,0]=2 818 B10R1.61 c1cc(c(nc1)S)[N+](=O)[O-] TS02857 [1,1,0,0,0,0|1,0,1]=4 819 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br TS55156 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl TS13613 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.61 c1ccc(c(c1)C(=O)Cl)F TS11080 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.61 c1ccc(c(c1)C(=O)Cl)I TS07725 [1,1,0,0,0,0|2,0,0]=4 823 B10R1.61 c1ccc(c(c1)C(=O)N)Br TS18931 [1,1,0,0,0,0|2,0,0]=4 824 B10R1.61 c1ccc(c(c1)C(=O)N)Cl TS41556 [1,1,0,0,0,0|2,0,0]=4 825 B10R1.61 c1ccc(c(c1)C(=O)N)F TS37265 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.61 c1ccc(c(c1)C(=O)N)I TS62383 [1,1,0,0,0,0|2,0,0]=4 827 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.61 c1ccc(c(c1)C(=O)O)Br TS55155 [1,1,0,0,0,0|1,0,0]=3 830 B10R1.61 c1ccc(c(c1)C(=O)O)Cl TS00073 [1,1,0,0,0,0|1,0,0]=3 831 B10R1.61 c1ccc(c(c1)C(=O)O)I TS01784 [1,1,0,0,0,0|1,0,0]=3 832 B10R1.61 c1ccc(c(c1)C(=O)O)N TS37101 [1,1,0,0,0,0|1,0,0]=3 833 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [1,1,0,0,0,0|1,0,0]=3 834 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [1,1,0,0,0,0|1,0,0]=3 835 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [1,1,0,0,0,0|1,0,0]=3 836 B10R1.61 c1ccc(c(c1)C(=O)O)S TS39677 [1,1,0,0,0,0|1,0,0]=3 837 B10R1.61 c1ccc(c(c1)C(=O)[O-])F TS11489 [1,1,0,0,0,0|1,0,1]=4 838 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS11099 [1,1,0,0,0,0|1,0,1]=4 839 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS58695 [1,1,0,0,0,0|1,0,1]=4 840 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS06906 [1,1,0,0,0,0|1,0,1]=4 841 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS41498 [1,1,0,0,0,0|1,0,1]=4 842 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS42111 [1,1,0,0,0,0|1,0,1]=4 843 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS46100 [1,1,0,0,0,0|1,0,1]=4 844 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS62094 [1,1,0,0,0,0|1,0,1]=4 845 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS66456 [1,1,0,0,0,0|1,0,1]=4 846 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS76682 [1,1,0,0,0,0|1,0,1]=4 847 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS80592 [1,1,0,0,0,0|1,0,1]=4 848 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS81548 [1,1,0,0,0,0|1,0,1]=4 849 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS82956 [1,1,0,0,0,0|1,0,1]=4 850 B10R1.61 c1ccc(c(c1)C(=O)[O-])S TS46069 [1,1,0,0,0,0|1,0,1]=4 851 B10R1.61 c1cnc(c(n1)C(=O)N)O TS60014 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.61 c1cnc(c(n1)C(=O)O)Cl TS66008 [1,1,0,0,0,0|1,0,0]=3 853 B10R1.61 c1cnc(c(n1)C(=O)O)N TS37261 [1,1,0,0,0,0|1,0,0]=3 854 B10R1.61 c1cnc(c(n1)C(=O)O)O TS16634 [1,1,0,0,0,0|1,0,0]=3 855 B10R1.61 c1cncc(c1Br)C(=O)O TS70996 [1,1,0,0,0,0|0,0,0]=2 856 B10R1.61 c1cncc(c1Br)[N+](=O)[O-] TS70979 [1,1,0,0,0,0|1,0,1]=4 857 B10R1.61 c1cncc(c1C(=O)O)Br TS75153 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.61 c1cncc(c1C(=O)O)Br TS85456 [1,1,0,0,0,0|2,0,0]=4 859 B10R1.61 c1cncc(c1C(=O)O)Cl TS02717 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.61 c1cncc(c1C(=O)O)F TS70583 [1,1,0,0,0,0|2,0,0]=4 861 B10R1.61 c1cncc(c1C(=O)O)I TS70630 [1,1,0,0,0,0|2,0,0]=4 862 B10R1.61 c1cncc(c1C(=O)O)N TS06238 [1,1,0,0,0,0|2,0,0]=4 863 B10R1.61 c1cncc(c1C(=O)O)N TS85384 [1,1,0,0,0,0|2,0,0]=4 864 B10R1.61 c1cncc(c1C(=O)O)N TS87274 [1,1,0,0,0,0|2,0,0]=4 865 B10R1.61 c1cncc(c1C(=O)O)O TS02801 [1,1,0,0,0,0|2,0,0]=4 866 B10R1.61 c1cncc(c1Cl)C(=O)O TS09676 [1,1,0,0,0,0|0,0,0]=2 867 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] TS09651 [1,1,0,0,0,0|1,0,1]=4 868 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] TS09652 [1,1,0,0,0,0|1,0,1]=4 869 B10R1.61 c1cncc(c1F)C(=O)O TS71139 [1,1,0,0,0,0|0,0,0]=2 870 B10R1.61 c1cncc(c1F)[N+](=O)[O-] TS60405 [1,1,0,0,0,0|1,0,1]=4 871 B10R1.61 c1cncc(c1N)C(=O)N TS70898 [1,1,0,0,0,0|1,0,0]=3 872 B10R1.61 c1cncc(c1N)C(=O)O TS37157 [1,1,0,0,0,0|0,0,0]=2 873 B10R1.61 c1cncc(c1N)C(=O)O TS85415 [1,1,0,0,0,0|0,0,0]=2 874 B10R1.61 c1cncc(c1N)[N+](=O)[O-] TS70897 [1,1,0,0,0,0|1,0,1]=4 875 B10R1.61 c1cncc(c1O)C(=O)O TS03130 [1,1,0,0,0,0|0,0,0]=2 876 B10R1.61 c1cncc(c1O)[N+](=O)[O-] TS86034 [1,1,0,0,0,0|1,0,1]=4 877 B10R1.61 c1cnnc(c1C(=O)O)N TS02642 [1,1,0,0,0,0|1,0,0]=3 878 B10R1.61 c1cnnc(c1N)C(=O)O TS32795 [1,1,0,0,0,0|1,0,0]=3 879 B10R1.61 c1nc(c(nn1)N)C(=O)O TS06417 [1,1,0,0,0,0|2,0,0]=4 880 B10R1.113 B(c1cc(cnc1)Br)(O)O TS19297 [1,1,0,0,0,0|1,0,1]=4 881 B10R1.113 B(c1cc(cnc1)Cl)(O)O TS71523 [1,1,0,0,0,0|1,0,1]=4 882 B10R1.113 B(c1cc(cnc1)F)(O)O TS71550 [1,1,0,0,0,0|1,0,1]=4 883 B10R1.113 B(c1cc(cnc1)N)(O)O TS60330 [1,1,0,0,0,0|1,0,1]=4 884 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [1,1,0,0,0,0|0,0,0]=2 885 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [1,1,0,0,0,0|0,0,0]=2 886 B10R1.113 CC(=O)c1ccc[n+](c1)[O-] TS06167 [1,1,0,0,0,0|0,0,1]=3 887 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [1,1,0,0,0,0|1,0,0]=3 888 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [1,1,0,0,0,0|1,0,0]=3 889 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [1,1,0,0,0,0|1,0,0]=3 890 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [1,1,0,0,0,0|1,0,0]=3 891 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [1,1,0,0,0,0|1,0,0]=3 892 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [1,1,0,0,0,0|1,0,0]=3 893 B10R1.113 CC(=O)c1cccc(n1)Br TS08250 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.113 CC(=O)c1cccc(n1)Cl TS46739 [1,1,0,0,0,0|2,0,0]=4 895 B10R1.113 CC(=O)c1ccnc(c1)Cl TS08148 [1,1,0,0,0,0|2,0,0]=4 896 B10R1.113 C[n+]1cccc(c1)C(=O)N TS45572 [1,1,0,0,0,0|1,0,1]=4 897 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [1,1,0,0,0,0|2,0,0]=4 898 B10R1.113 Cc1cc(ccn1)C(=O)O TS37098 [1,1,0,0,0,0|2,0,0]=4 899 B10R1.113 Cc1cc(cnc1)C(=O)N TS06051 [1,1,0,0,0,0|1,0,0]=3 900 B10R1.113 Cc1cc(cnc1)C(=O)O TS01159 [1,1,0,0,0,0|0,0,0]=2 901 B10R1.113 Cc1cc(cnc1)C(=O)O TS13412 [1,1,0,0,0,0|0,0,0]=2 902 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] TS02835 [1,1,0,0,0,0|1,0,1]=4 903 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [1,1,0,0,0,0|1,0,0]=3 904 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [1,1,0,0,0,0|2,0,0]=4 905 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [1,1,0,0,0,0|1,0,0]=3 907 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [1,1,0,0,0,0|2,0,0]=4 909 B10R1.113 Cc1ccnc(c1)C(=O)O TS37096 [1,1,0,0,0,0|2,0,0]=4 910 B10R1.113 c1c(cn[nH]c1=O)C(=O)O TS06410 [1,1,0,0,0,0|1,0,0]=3 911 B10R1.113 c1c(cncc1Br)C(=O)Cl TS49867 [1,1,0,0,0,0|1,0,0]=3 912 B10R1.113 c1c(cncc1Br)C(=O)N TS60080 [1,1,0,0,0,0|1,0,0]=3 913 B10R1.113 c1c(cncc1Br)C(=O)O TS09808 [1,1,0,0,0,0|0,0,0]=2 914 B10R1.113 c1c(cncc1Br)[N+](=O)[O-] TS65940 [1,1,0,0,0,0|1,0,1]=4 915 B10R1.113 c1c(cncc1Cl)C(=O)O TS03271 [1,1,0,0,0,0|0,0,0]=2 916 B10R1.113 c1c(cncc1Cl)[N+](=O)[O-] TS02699 [1,1,0,0,0,0|1,0,1]=4 917 B10R1.113 c1c(cncc1F)C(=O)O TS03323 [1,1,0,0,0,0|0,0,0]=2 918 B10R1.113 c1c(cncc1N)C(=O)N TS03231 [1,1,0,0,0,0|1,0,0]=3 919 B10R1.113 c1c(cncc1N)C(=O)O TS71381 [1,1,0,0,0,0|0,0,0]=2 920 B10R1.113 c1c(cncc1O)C(=O)O TS30275 [1,1,0,0,0,0|0,0,0]=2 921 B10R1.113 c1c(cncc1O)C(=O)O TS85371 [1,1,0,0,0,0|0,0,0]=2 922 B10R1.113 c1c(cncc1O)[N+](=O)[O-] TS06415 [1,1,0,0,0,0|1,0,1]=4 923 B10R1.113 c1c(cncc1[N+](=O)[O-])N TS01168 [1,1,0,0,0,0|1,0,1]=4 924 B10R1.113 c1c(cnnc1Cl)C(=O)O TS90511 [1,1,0,0,0,0|1,0,0]=3 925 B10R1.113 c1c(nc(cn1)Cl)C(=O)O TS55584 [1,1,0,0,0,0|1,0,0]=3 926 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl TS56222 [1,1,0,0,0,0|2,0,0]=4 927 B10R1.113 c1cc(cc(c1)Br)C(=O)N TS18933 [1,1,0,0,0,0|2,0,0]=4 928 B10R1.113 c1cc(cc(c1)Br)C(=O)O TS19140 [1,1,0,0,0,0|1,0,0]=3 929 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl TS13612 [1,1,0,0,0,0|2,0,0]=4 930 B10R1.113 c1cc(cc(c1)Cl)C(=O)N TS10611 [1,1,0,0,0,0|2,0,0]=4 931 B10R1.113 c1cc(cc(c1)Cl)C(=O)O TS02028 [1,1,0,0,0,0|1,0,0]=3 932 B10R1.113 c1cc(cc(c1)F)C(=O)Cl TS11079 [1,1,0,0,0,0|2,0,0]=4 933 B10R1.113 c1cc(cc(c1)F)C(=O)N TS37271 [1,1,0,0,0,0|2,0,0]=4 934 B10R1.113 c1cc(cc(c1)F)C(=O)O TS06420 [1,1,0,0,0,0|1,0,0]=3 935 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] TS11490 [1,1,0,0,0,0|1,0,1]=4 936 B10R1.113 c1cc(cc(c1)I)C(=O)Cl TS39446 [1,1,0,0,0,0|2,0,0]=4 937 B10R1.113 c1cc(cc(c1)I)C(=O)N TS62384 [1,1,0,0,0,0|2,0,0]=4 938 B10R1.113 c1cc(cc(c1)I)C(=O)O TS70626 [1,1,0,0,0,0|1,0,0]=3 939 B10R1.113 c1cc(cc(c1)N)C(=O)N TS60003 [1,1,0,0,0,0|2,0,0]=4 940 B10R1.113 c1cc(cc(c1)N)C(=O)O TS13414 [1,1,0,0,0,0|1,0,0]=3 941 B10R1.113 c1cc(cc(c1)N)C(=O)O TS37103 [1,1,0,0,0,0|1,0,0]=3 942 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] TS11098 [1,1,0,0,0,0|1,0,1]=4 943 B10R1.113 c1cc(cc(c1)O)C(=O)N TS70620 [1,1,0,0,0,0|2,0,0]=4 944 B10R1.113 c1cc(cc(c1)O)C(=O)O TS06229 [1,1,0,0,0,0|1,0,0]=3 945 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] TS42112 [1,1,0,0,0,0|1,0,1]=4 946 B10R1.113 c1cc(cc(c1)S)C(=O)O TS41386 [1,1,0,0,0,0|1,0,0]=3 947 B10R1.113 c1cc(cn(=O)c1)C(=O)N TS37161 [1,1,0,0,0,0|1,0,1]=4 948 B10R1.113 c1cc(cn(=O)c1)C(=O)O TS06349 [1,1,0,0,0,0|0,0,1]=3 949 B10R1.113 c1cc(nc(c1)Br)C(=O)O TS16477 [1,1,0,0,0,0|2,0,0]=4 950 B10R1.113 c1cc(nc(c1)Cl)C(=O)O TS55587 [1,1,0,0,0,0|2,0,0]=4 951 B10R1.113 c1cc(nc(c1)F)C(=O)O TS01235 [1,1,0,0,0,0|2,0,0]=4 952 B10R1.113 c1cc(nc(c1)I)C(=O)O TS27851 [1,1,0,0,0,0|2,0,0]=4 953 B10R1.113 c1cc(nc(c1)N)C(=O)O TS01213 [1,1,0,0,0,0|2,0,0]=4 954 B10R1.113 c1cc(nc(c1)O)C(=O)O TS01240 [1,1,0,0,0,0|2,0,0]=4 955 B10R1.113 c1cc(oc(=O)c1)C(=O)O TS06409 [1,1,0,0,0,0|2,0,0]=4 956 B10R1.113 c1cnc(cc1Br)C(=O)O TS09612 [1,1,0,0,0,0|2,0,0]=4 957 B10R1.113 c1cnc(cc1C(=O)O)Br TS55109 [1,1,0,0,0,0|2,0,0]=4 958 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [1,1,0,0,0,0|2,0,0]=4 959 B10R1.113 c1cnc(cc1C(=O)O)F TS01028 [1,1,0,0,0,0|2,0,0]=4 960 B10R1.113 c1cnc(cc1C(=O)O)I TS07726 [1,1,0,0,0,0|2,0,0]=4 961 B10R1.113 c1cnc(cc1C(=O)O)N TS47473 [1,1,0,0,0,0|2,0,0]=4 962 B10R1.113 c1cnc(cc1C(=O)O)O TS06352 [1,1,0,0,0,0|2,0,0]=4 963 B10R1.113 c1cnc(cc1Cl)C(=O)O TS09687 [1,1,0,0,0,0|2,0,0]=4 964 B10R1.113 c1cnc(cc1F)C(=O)O TS09128 [1,1,0,0,0,0|2,0,0]=4 965 B10R1.113 c1cnc(cc1I)C(=O)O TS88205 [1,1,0,0,0,0|2,0,0]=4 966 B10R1.113 c1cnc(cc1N)C(=O)O TS88808 [1,1,0,0,0,0|2,0,0]=4 967 B10R1.113 c1cnc(cc1O)C(=O)O TS03133 [1,1,0,0,0,0|2,0,0]=4 968 B10R1.113 c1coc(cc1=O)C(=O)O TS37334 [1,1,0,0,0,0|2,0,0]=4 969 B10R1.1 CCOc1ccc(nc1)Br TS19313 [1,1,0,0,0,0|2,0,0]=4 970 B10R1.1 CCOc1ccc(nc1)Cl TS10915 [1,1,0,0,0,0|2,0,0]=4 971 B10R1.1 COCc1ccc(cc1)F TS37375 [1,1,0,0,0,0|1,0,1]=4 972 B10R1.4 CC=Cc1ccccc1O TS36834 [1,1,0,0,0,0|2,0,0]=4 973 B10R1.4 CCOc1cccnc1Br TS19312 [1,1,0,0,0,0|2,0,0]=4 974 B10R1.4 CCOc1cccnc1N TS37190 [1,1,0,0,0,0|2,0,0]=4 975 B10R1.4 CCOc1cnccc1Br TS38195 [1,1,0,0,0,0|2,0,0]=4 976 B10R1.4 COCc1ccccc1F TS37369 [1,1,0,0,0,0|1,0,1]=4 977 B10R1.4 c1cc(c(nc1)N)C=NO TS13415 [1,1,0,0,0,0|2,0,0]=4 978 B10R1.10 CCOc1cc(cnc1)Br TS32931 [1,1,0,0,0,0|2,0,0]=4 979 B10R1.10 CNCc1cc(cnc1)Br TS19151 [1,1,0,0,0,0|1,0,1]=4 980 B10R1.10 COCc1cccc(c1)F TS37370 [1,1,0,0,0,0|1,0,1]=4 981 B10R1.17 CC=CCc1ccccc1 TS36709 [1,1,0,0,0,0|2,0,0]=4 982 B10R1.17 CCC=Cc1ccccc1 TS36700 [1,1,0,0,0,0|2,0,0]=4 983 B10R1.17 CCCCc1cccnc1 TS06012 [1,1,0,0,0,0|1,0,1]=4 984 B10R1.17 CCN=Cc1ccccc1 TS05847 [1,1,0,0,0,0|2,0,0]=4 985 B10R1.17 CCOCc1ccccc1 TS37009 [1,1,0,0,0,0|1,0,1]=4 986 B10R1.17 CNCCc1cccnc1 TS08004 [1,1,0,0,0,0|1,0,1]=4 987 B10R1.17 COC=Cc1ccccc1 TS36842 [1,1,0,0,0,0|1,0,0]=3 988 B10R1.17 COC=Nc1ccccc1 TS36922 [1,1,0,0,0,0|1,0,0]=3 989 B10R1.17 COCCc1ccccc1 TS06081 [1,1,0,0,0,0|1,0,1]=4 990 B10R1.17 COCOc1ccccc1 TS06260 [1,1,0,0,0,0|1,0,1]=4 991 B10R1.17 COCOc1cccnc1 TS06375 [1,1,0,0,0,0|0,0,1]=3 992 B10R1.17 COCSc1ccccc1 TS10468 [1,1,0,0,0,0|1,0,1]=4 993 B10R1.17 c1cc(cnc1)C=CC=O TS36746 [1,1,0,0,0,0|1,0,1]=4 994 B10R1.17 c1cc(cnc1)C=CCCl TS12428 [1,1,0,0,0,0|1,0,0]=3 995 B10R1.17 c1cc(cnc1)CCCO TS37116 [1,1,0,0,0,0|1,0,1]=4 996 B10R1.17 c1ccc(cc1)C=CCBr TS53806 [1,1,0,0,0,0|2,0,0]=4 997 B10R1.17 c1ccc(cc1)C=CCCl TS41222 [1,1,0,0,0,0|2,0,0]=4 998 B10R1.17 c1ccc(cc1)C=CCO TS36831 [1,1,0,0,0,0|2,0,0]=4 999 B10R1.17 c1ccc(cc1)COCCl TS39818 [1,1,0,0,0,0|1,0,1]=4 1000 B10R1.18 CC(=Cc1ccccc1)C TS36699 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [1,1,0,0,0,0|1,0,1]=4 1002 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [1,1,0,0,0,0|1,0,1]=4 1003 B10R1.18 CC(=O)Nc1cccnc1 TS06049 [1,1,0,0,0,0|2,0,0]=4 1004 B10R1.18 CC(=O)Oc1cccnc1 TS06165 [1,1,0,0,0,0|2,0,0]=4 1005 B10R1.18 CC(C)Cc1cccnc1 TS06005 [1,1,0,0,0,0|1,0,1]=4 1006 B10R1.18 CC(C)Nc1cccnc1 TS64905 [1,1,0,0,0,0|2,0,0]=4 1007 B10R1.18 CC(Cc1cccnc1)N TS00050 [1,1,0,0,0,0|1,0,1]=4 1008 B10R1.11 C=COC(=O)c1ccco1 TS06233 [0,1,0,0,1,0|1,0,1]=4 1009 B10R1.11 CC(=NOC)c1cccs1 TS10593 [0,1,0,0,1,0|2,0,0]=4 1010 B10R1.11 CCCC(=O)c1ccco1 TS06270 [0,1,0,0,1,0|2,0,0]=4 1011 B10R1.11 CCCC(=O)c1cccs1 TS10473 [0,1,0,0,1,0|2,0,0]=4 1012 B10R1.11 CCCC(=O)n1ccnc1 TS37197 [0,1,0,0,1,0|2,0,0]=4 1013 B10R1.11 CCOC(=O)c1[nH]ccn1 TS64891 [0,1,0,0,1,0|1,0,0]=3 1014 B10R1.11 CCOC(=O)c1c[nH]cn1 TS55896 [0,1,0,0,1,0|1,0,0]=3 1015 B10R1.11 CCOC(=O)c1c[nH]nc1 TS55948 [0,1,0,0,1,0|1,0,0]=3 1016 B10R1.11 CCOC(=O)c1c[nH]nn1 TS37487 [0,1,0,0,1,0|2,0,0]=4 1017 B10R1.11 CCOC(=O)c1cc[nH]n1 TS56156 [0,1,0,0,1,0|1,0,0]=3 1018 B10R1.11 CCOC(=O)c1ccc[nH]1 TS55898 [0,1,0,0,1,0|0,0,1]=3 1019 B10R1.11 CCOC(=O)c1ccco1 TS06431 [0,1,0,0,1,0|1,0,0]=3 1020 B10R1.11 CCOC(=O)c1cccs1 TS74499 [0,1,0,0,1,0|1,0,0]=3 1021 B10R1.11 CCOC(=O)c1ccoc1 TS06430 [0,1,0,0,1,0|1,0,0]=3 1022 B10R1.11 CCOC(=O)c1ccon1 TS86639 [0,1,0,0,1,0|1,0,0]=3 1023 B10R1.11 CCOC(=O)c1ccsc1 TS41625 [0,1,0,0,1,0|1,0,0]=3 1024 B10R1.11 CCOC(=O)c1cnco1 TS64893 [0,1,0,0,1,0|1,0,0]=3 1025 B10R1.11 CCOC(=O)c1cncs1 TS55510 [0,1,0,0,1,0|1,0,0]=3 1026 B10R1.11 CCOC(=O)c1cnns1 TS10966 [0,1,0,0,1,0|2,0,0]=4 1027 B10R1.11 CCOC(=O)c1cnoc1 TS06571 [0,1,0,0,1,0|1,0,0]=3 1028 B10R1.11 CCOC(=O)c1cocn1 TS06565 [0,1,0,0,1,0|1,0,0]=3 1029 B10R1.11 CCOC(=O)c1cscn1 TS01480 [0,1,0,0,1,0|1,0,0]=3 1030 B10R1.11 CCOC(=O)c1csnn1 TS10971 [0,1,0,0,1,0|2,0,0]=4 1031 B10R1.11 CCOC(=O)c1ncco1 TS06570 [0,1,0,0,1,0|1,0,0]=3 1032 B10R1.11 CCOC(=O)n1ccnc1 TS37348 [0,1,0,0,1,0|1,0,0]=3 1033 B10R1.14 CCC(=O)c1ccc(o1)C TS06262 [0,1,0,0,1,0|2,0,0]=4 1034 B10R1.14 COC(=O)c1cc(c[nH]1)Br TS56284 [0,1,0,0,1,0|0,0,1]=3 1035 B10R1.14 COC(=O)c1cc(c[nH]1)I TS28133 [0,1,0,0,1,0|0,0,1]=3 1036 B10R1.14 COC(=O)c1cc(cs1)Br TS87681 [0,1,0,0,1,0|1,0,0]=3 1037 B10R1.14 COC(=O)c1cc(cs1)Cl TS89093 [0,1,0,0,1,0|1,0,0]=3 1038 B10R1.14 COC(=O)c1cc(cs1)N TS65120 [0,1,0,0,1,0|1,0,0]=3 1039 B10R1.14 COC(=O)c1cc(no1)O TS59694 [0,1,0,0,1,0|1,0,0]=3 1040 B10R1.14 COC(=O)c1cc(sc1)Br TS88321 [0,1,0,0,1,0|1,0,0]=3 1041 B10R1.14 COC(=O)c1cc(sc1)Cl TS90596 [0,1,0,0,1,0|1,0,0]=3 1042 B10R1.14 COC(=O)c1ccc(o1)Br TS56303 [0,1,0,0,1,0|1,0,0]=3 1043 B10R1.14 COC(=O)c1ccc(s1)Br TS89180 [0,1,0,0,1,0|1,0,0]=3 1044 B10R1.14 COC(=O)c1cnc(s1)Br TS93874 [0,1,0,0,1,0|1,0,0]=3 1045 B10R1.14 COC(=O)c1cnc(s1)N TS08549 [0,1,0,0,1,0|1,0,0]=3 1046 B10R1.14 COC(=O)c1csc(n1)Br TS23389 [0,1,0,0,1,0|1,0,0]=3 1047 B10R1.14 COC(=O)c1csc(n1)Br TS85380 [0,1,0,0,1,0|1,0,0]=3 1048 B10R1.14 COC(=O)c1csc(n1)Cl TS56249 [0,1,0,0,1,0|1,0,0]=3 1049 B10R1.14 COC(=O)c1csc(n1)N TS08548 [0,1,0,0,1,0|1,0,0]=3 1050 B10R1.14 COC(=O)c1nc([nH]n1)N TS37541 [0,1,0,0,1,0|2,0,0]=4 1051 B10R1.14 COC(=O)c1ncc(s1)N TS92889 [0,1,0,0,1,0|1,0,0]=3 1052 B10R1.14 Cc1cc([nH]c1)C(=O)OC TS02309 [0,1,0,0,1,0|0,0,1]=3 1053 B10R1.14 Cc1cc(co1)C(=O)OC TS01149 [0,1,0,0,1,0|1,0,0]=3 1054 B10R1.14 Cc1cc(no1)C(=O)OC TS37467 [0,1,0,0,1,0|1,0,0]=3 1055 B10R1.14 Cc1cc(sc1)C(=O)OC TS10694 [0,1,0,0,1,0|1,0,0]=3 1056 B10R1.14 Cc1ccc(o1)C(=O)OC TS37341 [0,1,0,0,1,0|1,0,0]=3 1057 B10R1.14 Cc1nc(co1)C(=O)OC TS06566 [0,1,0,0,1,0|1,0,0]=3 1058 B10R1.14 Cc1nc(co1)C(=O)OC TS41497 [0,1,0,0,1,0|1,0,0]=3 1059 B10R1.14 Cc1ncc(o1)C(=O)OC TS55460 [0,1,0,0,1,0|1,0,0]=3 1060 B10R1.14 Cn1cc(nc1)C(=O)OC TS33076 [0,1,0,0,1,0|1,0,0]=3 1061 B10R1.14 Cn1cnc(n1)C(=O)OC TS88313 [0,1,0,0,1,0|2,0,0]=4 1062 B10R1.23 CC(C(=O)c1cccs1)Br TS49560 [0,1,0,0,1,0|2,0,0]=4 1063 B10R1.23 CN(C(=O)c1ccco1)O TS37472 [0,1,0,0,1,0|2,0,0]=4 1064 B10R1.149 COC(=O)c1c(c[nH]n1)N TS88806 [0,1,0,0,1,0|1,0,0]=3 1065 B10R1.149 COC(=O)c1c(cc[nH]1)Br TS92650 [0,1,0,0,1,0|0,0,1]=3 1066 B10R1.149 COC(=O)c1c(cc[nH]1)Cl TS91006 [0,1,0,0,1,0|0,0,1]=3 1067 B10R1.149 COC(=O)c1c(cco1)N TS89296 [0,1,0,0,1,0|1,0,0]=3 1068 B10R1.149 COC(=O)c1c(ccs1)Br TS56270 [0,1,0,0,1,0|1,0,0]=3 1069 B10R1.149 COC(=O)c1c(ccs1)Cl TS46190 [0,1,0,0,1,0|1,0,0]=3 1070 B10R1.149 COC(=O)c1c(ccs1)N TS08569 [0,1,0,0,1,0|1,0,0]=3 1071 B10R1.149 COC(=O)c1c(ccs1)O TS10959 [0,1,0,0,1,0|1,0,0]=3 1072 B10R1.149 COC(=O)c1c(ncs1)N TS70927 [0,1,0,0,1,0|1,0,0]=3 1073 B10R1.149 COC(=O)c1c(nsn1)Br TS50257 [0,1,0,0,1,0|2,0,0]=4 1074 B10R1.149 COC(=O)c1c(scn1)Br TS56307 [0,1,0,0,1,0|1,0,0]=3 1075 B10R1.149 COC(=O)c1cccn1N TS37356 [0,1,0,0,1,0|0,0,1]=3 1076 B10R1.149 COC(=O)c1ccsc1N TS08550 [0,1,0,0,1,0|1,0,0]=3 1077 B10R1.149 COC(=O)c1cn[nH]c1N TS37482 [0,1,0,0,1,0|1,0,0]=3 1078 B10R1.149 COC(=O)c1cscc1N TS41782 [0,1,0,0,1,0|1,0,0]=3 1079 B10R1.149 COC(=O)c1cscc1N TS56281 [0,1,0,0,1,0|1,0,0]=3 1080 B10R1.149 Cc1c(cco1)C(=O)OC TS06434 [0,1,0,0,1,0|1,0,0]=3 1081 B10R1.149 Cc1c(ccs1)C(=O)OC TS39900 [0,1,0,0,1,0|1,0,0]=3 1082 B10R1.149 Cc1c(nco1)C(=O)OC TS37468 [0,1,0,0,1,0|1,0,0]=3 1083 B10R1.149 Cc1c(scn1)C(=O)OC TS16575 [0,1,0,0,1,0|1,0,0]=3 1084 B10R1.149 Cc1cc[nH]c1C(=O)OC TS89995 [0,1,0,0,1,0|0,0,1]=3 1085 B10R1.149 Cc1ccoc1C(=O)OC TS06432 [0,1,0,0,1,0|1,0,0]=3 1086 B10R1.149 Cc1ccsc1C(=O)OC TS56278 [0,1,0,0,1,0|1,0,0]=3 1087 B10R1.149 Cn1cccc1C(=O)OC TS37280 [0,1,0,0,1,0|0,0,1]=3 1088 B10R1.149 Cn1ccnc1C(=O)OC TS89892 [0,1,0,0,1,0|1,0,0]=3 1089 B10R1.149 Cn1cncc1C(=O)OC TS06437 [0,1,0,0,1,0|1,0,0]=3 1090 B12R1.32 C=COC(=O)Cc1ccccc1 TS11548 [0,1,0,0,0,1|1,0,1]=4 1091 B12R1.32 CCCC(=O)Cc1ccccc1 TS11593 [0,1,0,0,0,1|2,0,0]=4 1092 B12R1.32 CCNC(=O)Nc1ccccc1 TS42766 [0,1,0,0,0,1|2,0,0]=4 1093 B12R1.32 CCOC(=O)C[n+]1ccccc1 TS19281 [0,1,0,0,0,1|2,0,0]=4 1094 B12R1.32 CCOC(=O)C[n+]1ccccc1 TS27413 [0,1,0,0,0,1|2,0,0]=4 1095 B12R1.32 CCOC(=O)Cc1ccccc1 TS64894 [0,1,0,0,0,1|1,0,0]=3 1096 B12R1.32 CCOC(=O)Cc1ccccn1 TS08500 [0,1,0,0,0,1|2,0,0]=4 1097 B12R1.32 CCOC(=O)Cc1cccnc1 TS55929 [0,1,0,0,0,1|0,0,0]=2 1098 B12R1.32 CCOC(=O)Cc1ccncc1 TS01476 [0,1,0,0,0,1|2,0,0]=4 1099 B12R1.32 CCOC(=O)Nc1ccccc1 TS42904 [0,1,0,0,0,1|1,0,0]=3 1100 B12R1.32 CNCC(=O)Cc1ccccc1 TS37811 [0,1,0,0,0,1|2,0,0]=4 1101 B12R1.32 c1ccc(cc1)NC(=O)CCCl TS48485 [0,1,0,0,0,1|2,0,0]=4 1102 B12R1.32 c1ccc(cc1)OC(=O)CCCl TS08976 [0,1,0,0,0,1|2,0,0]=4 1103 B12R1.34 COC(=O)C(=O)c1ccccc1 TS00234 [0,1,0,0,0,1|1,0,0]=3 1104 B12R1.34 COC(=O)C(c1ccccc1)Br TS52792 [0,1,0,0,0,1|1,0,0]=3 1105 B12R1.34 COC(=O)C(c1ccccc1)Cl TS15391 [0,1,0,0,0,1|1,0,0]=3 1106 B12R1.34 COC(=O)C(c1ccccc1)F TS44841 [0,1,0,0,0,1|1,0,0]=3 1107 B12R1.34 COC(=O)C(c1ccccc1)O TS12191 [0,1,0,0,0,1|1,0,0]=3 1108 B12R1.34 COC(=O)[C@@H](c1ccccc1)N TS19278 [0,1,0,0,0,1|1,0,0]=3 1109 B12R1.34 COC(=O)[C@@H](c1ccccc1)O TS12187 [0,1,0,0,0,1|1,0,0]=3 1110 B12R1.34 COC(=O)[C@H](c1ccccc1)N TS19277 [0,1,0,0,0,1|1,0,0]=3 1111 B12R1.34 COC(=O)[C@H](c1ccccc1)O TS43052 [0,1,0,0,0,1|1,0,0]=3 1112 B12R1.43 CC(=C)C(=O)Nc1ccccc1 TS11415 [0,1,0,0,0,1|2,0,0]=4 1113 B12R1.43 CC(=C)C(=O)Oc1ccccc1 TS00244 [0,1,0,0,0,1|2,0,0]=4 1114 B12R1.43 CC(C(=O)Nc1ccccc1)Br TS24452 [0,1,0,0,0,1|2,0,0]=4 1115 B12R1.43 CC(C)C(=O)Cc1ccccc1 TS11588 [0,1,0,0,0,1|2,0,0]=4 1116 B12R1.43 CC(C)C(=O)Oc1ccccc1 TS11856 [0,1,0,0,0,1|2,0,0]=4 1117 B12R1.43 CN(C(=O)Nc1ccccc1)O TS43078 [0,1,0,0,0,1|2,0,0]=4 1118 B12R1.43 CN(C)C(=O)Cc1ccccc1 TS42597 [0,1,0,0,0,1|2,0,0]=4 1119 B12R1.43 CN(C)C(=O)Nc1ccccc1 TS42772 [0,1,0,0,0,1|2,0,0]=4 1120 B12R1.43 CN(C)C(=O)Nc1ccccc1 TS63486 [0,1,0,0,0,1|2,0,0]=4 1121 B12R1.43 CN(C)C(=O)Oc1ccccc1 TS12029 [0,1,0,0,0,1|2,0,0]=4 1122 B12R1.43 CN(C)C(=O)Oc1cccnc1 TS12239 [0,1,0,0,0,1|1,0,0]=3 1123 B12R1.49 CCC(=O)Nc1ccc(cc1)Br TS24457 [0,1,0,0,0,1|2,0,0]=4 1124 B12R1.49 CCC(=O)Nc1ccc(cc1)N TS42774 [0,1,0,0,0,1|2,0,0]=4 1125 B12R1.49 CCC(=O)Nc1ccc(cc1)O TS42901 [0,1,0,0,0,1|2,0,0]=4 1126 B12R1.49 CCC(=O)Sc1ccc(cc1)C TS14652 [0,1,0,0,0,1|2,0,0]=4 1127 B12R1.49 COC(=O)Cc1ccc(cc1)Br TS56291 [0,1,0,0,0,1|1,0,0]=3 1128 B12R1.49 COC(=O)Cc1ccc(cc1)N TS38167 [0,1,0,0,0,1|1,0,0]=3 1129 B12R1.49 COC(=O)Cc1ccc(cc1)N TS42886 [0,1,0,0,0,1|1,0,0]=3 1130 B12R1.49 COC(=O)Cc1ccc(cc1)O TS12194 [0,1,0,0,0,1|1,0,0]=3 1131 B12R1.49 Cc1ccc(cc1)CC(=O)OC TS11880 [0,1,0,0,0,1|1,0,0]=3 1132 B12R1.50 CCC(=O)Nc1cccc(c1)N TS11901 [0,1,0,0,0,1|2,0,0]=4 1133 B12R1.50 COC(=O)Cc1cccc(c1)Cl TS32710 [0,1,0,0,0,1|1,0,0]=3 1134 B12R1.50 COC(=O)Cc1cccc(c1)F TS12507 [0,1,0,0,0,1|1,0,0]=3 1135 B12R1.50 COC(=O)Cc1cccc(c1)N TS65476 [0,1,0,0,0,1|1,0,0]=3 1136 B12R1.50 COC(=O)Cc1cccc(c1)O TS60013 [0,1,0,0,0,1|1,0,0]=3 1137 B12R1.50 COC(=O)Nc1cc(ccn1)Cl TS15725 [0,1,0,0,0,1|2,0,0]=4 1138 B12R1.50 COC(=O)Nc1cccc(c1)O TS12373 [0,1,0,0,0,1|1,0,0]=3 1139 B12R1.50 Cc1cccc(c1)CC(=O)OC TS42759 [0,1,0,0,0,1|1,0,0]=3 1140 B12R1.50 Cc1cccc(c1)OC(=O)NC TS12018 [0,1,0,0,0,1|2,0,0]=4 1141 B12R1.371 CNC(=O)Oc1ccccc1Cl TS15517 [0,1,0,0,0,1|2,0,0]=4 1142 B12R1.371 COC(=O)Cc1c(cccn1)Br TS88741 [0,1,0,0,0,1|2,0,0]=4 1143 B12R1.371 COC(=O)Cc1ccccc1Br TS52795 [0,1,0,0,0,1|1,0,0]=3 1144 B12R1.371 COC(=O)Cc1ccccc1F TS02004 [0,1,0,0,0,1|1,0,0]=3 1145 B12R1.371 COC(=O)Cc1ccccc1N TS38170 [0,1,0,0,0,1|1,0,0]=3 1146 B12R1.371 COC(=O)Cc1ccccc1N TS39893 [0,1,0,0,0,1|1,0,0]=3 1147 B12R1.371 COC(=O)Cc1ccccc1O TS12181 [0,1,0,0,0,1|1,0,0]=3 1148 B12R1.371 Cc1ccccc1CC(=O)OC TS11862 [0,1,0,0,0,1|1,0,0]=3 1149 B12R1.9 COS(=O)(=O)c1ccc(cc1)Cl TS20283 [0,2,0,0,0,0|2,0,0]=4 1150 B12R1.9 Cc1ccc(cc1)S(=O)(=O)OC TS15626 [0,2,0,0,0,0|2,0,0]=4 1151 B12R1.39 CCOP(=O)(c1ccccc1)O TS15910 [0,2,0,0,0,0|2,0,0]=4 1152 B12R1.39 CCOS(=O)(=O)c1ccccc1 TS48908 [0,2,0,0,0,0|2,0,0]=4 1153 B12R1.475 COP(=O)(c1ccccc1)OC TS48843 [0,2,0,0,0,0|2,0,0]=4 1154 B12R1.13 COC(c1cc(cnc1)Cl)OC TS15874 [0,2,0,0,0,0|0,0,2]=4 1155 B12R1.478 COC(c1ccccc1)C(=O)O TS12180 [0,2,0,0,0,0|1,0,1]=4 1156 B12R1.478 COC(c1ccccc1)C(=O)[O-] TS15927 [0,2,0,0,0,0|1,0,1]=4 1157 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O TS43053 [0,2,0,0,0,0|1,0,1]=4 1158 B12R1.478 CO[C@H](c1ccccc1)C(=O)O TS39563 [0,2,0,0,0,0|1,0,1]=4 1159 B12R1.16 CCCC(=O)c1ccc(cc1)Cl TS48368 [0,2,0,0,0,0|2,0,0]=4 1160 B12R1.16 CCCC(=O)c1ccc(cc1)F TS43085 [0,2,0,0,0,0|2,0,0]=4 1161 B12R1.16 CCCC(=O)c1ccc(cc1)N TS11723 [0,2,0,0,0,0|2,0,0]=4 1162 B12R1.16 CCCC(=O)c1ccc(cc1)O TS42742 [0,2,0,0,0,0|2,0,0]=4 1163 B12R1.16 CCOC(=N)c1ccc(cc1)C TS37814 [0,2,0,0,0,0|2,0,0]=4 1164 B12R1.16 CCOC(=N)c1ccc(cc1)F TS38502 [0,2,0,0,0,0|2,0,0]=4 1165 B12R1.16 CCOC(=N)c1ccc(cc1)O TS38165 [0,2,0,0,0,0|2,0,0]=4 1166 B12R1.16 CCOC(=O)c1ccc(=O)[nH]n1 TS44834 [0,2,0,0,0,0|1,0,1]=4 1167 B12R1.16 CCOC(=O)c1ccc(cc1)Br TS52789 [0,2,0,0,0,0|1,0,0]=3 1168 B12R1.16 CCOC(=O)c1ccc(cc1)C TS11853 [0,2,0,0,0,0|1,0,0]=3 1169 B12R1.16 CCOC(=O)c1ccc(cc1)Cl TS15387 [0,2,0,0,0,0|1,0,0]=3 1170 B12R1.16 CCOC(=O)c1ccc(cc1)F TS12505 [0,2,0,0,0,0|1,0,0]=3 1171 B12R1.16 CCOC(=O)c1ccc(cc1)I TS16559 [0,2,0,0,0,0|1,0,0]=3 1172 B12R1.16 CCOC(=O)c1ccc(cc1)N TS19282 [0,2,0,0,0,0|1,0,0]=3 1173 B12R1.16 CCOC(=O)c1ccc(cc1)N TS55757 [0,2,0,0,0,0|1,0,0]=3 1174 B12R1.16 CCOC(=O)c1ccc(cc1)O TS00084 [0,2,0,0,0,0|1,0,0]=3 1175 B12R1.16 CCOC(=O)c1ccc(cc1)O TS15928 [0,2,0,0,0,0|1,0,0]=3 1176 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] TS64291 [0,2,0,0,0,0|1,0,0]=3 1177 B12R1.16 CCOC(=O)c1ccc(cn1)Br TS71441 [0,2,0,0,0,0|2,0,0]=4 1178 B12R1.16 CCOC(=O)c1ccc(cn1)Cl TS48792 [0,2,0,0,0,0|2,0,0]=4 1179 B12R1.16 CCOC(=O)c1ccc(cn1)N TS12218 [0,2,0,0,0,0|2,0,0]=4 1180 B12R1.16 CCOC(=O)c1ccc(nc1)C TS12006 [0,2,0,0,0,0|0,0,0]=2 1181 B12R1.16 CCOC(=O)c1ccc(nc1)C TS87974 [0,2,0,0,0,0|0,0,0]=2 1182 B12R1.16 CCOC(=O)c1ccc(nc1)Cl TS55576 [0,2,0,0,0,0|0,0,0]=2 1183 B12R1.16 CCOC(=O)c1ccc(nc1)N TS12209 [0,2,0,0,0,0|0,0,0]=2 1184 B12R1.16 CCOC(=O)c1ccc(nc1)O TS01239 [0,2,0,0,0,0|0,0,0]=2 1185 B12R1.16 CCOC(=O)c1cnc(cn1)N TS55957 [0,2,0,0,0,0|1,0,0]=3 1186 B12R1.16 CCOC(=O)c1cnc(nc1)C TS91213 [0,2,0,0,0,0|1,0,0]=3 1187 B12R1.16 CCOC(=O)c1cnc(nc1)N TS85398 [0,2,0,0,0,0|1,0,0]=3 1188 B12R1.16 Cc1ccc(cc1)C(=O)CCCl TS48365 [0,2,0,0,0,0|2,0,0]=4 1189 B12R1.16 c1cc(ccc1C(=O)CCCl)Br TS27651 [0,2,0,0,0,0|2,0,0]=4 1190 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl TS19513 [0,2,0,0,0,0|2,0,0]=4 1191 B12R1.17 CCCC(=O)c1cccc(c1)C TS42482 [0,2,0,0,0,0|2,0,0]=4 1192 B12R1.17 CCOC(=O)c1cc(ccn1)Br TS09613 [0,2,0,0,0,0|2,0,0]=4 1193 B12R1.17 CCOC(=O)c1cc(ccn1)N TS88120 [0,2,0,0,0,0|2,0,0]=4 1194 B12R1.17 CCOC(=O)c1cc(cnc1)Br TS09809 [0,2,0,0,0,0|0,0,0]=2 1195 B12R1.17 CCOC(=O)c1cc(cnc1)C TS12010 [0,2,0,0,0,0|0,0,0]=2 1196 B12R1.17 CCOC(=O)c1cc(cnc1)F TS64890 [0,2,0,0,0,0|0,0,0]=2 1197 B12R1.17 CCOC(=O)c1cccc(c1)Br TS08510 [0,2,0,0,0,0|1,0,0]=3 1198 B12R1.17 CCOC(=O)c1cccc(c1)C TS11846 [0,2,0,0,0,0|1,0,0]=3 1199 B12R1.17 CCOC(=O)c1cccc(c1)Cl TS15385 [0,2,0,0,0,0|1,0,0]=3 1200 B12R1.17 CCOC(=O)c1cccc(c1)F TS44848 [0,2,0,0,0,0|1,0,0]=3 1201 B12R1.17 CCOC(=O)c1cccc(c1)I TS31079 [0,2,0,0,0,0|1,0,0]=3 1202 B12R1.17 CCOC(=O)c1cccc(c1)N TS08509 [0,2,0,0,0,0|1,0,0]=3 1203 B12R1.17 CCOC(=O)c1cccc(c1)N TS29672 [0,2,0,0,0,0|1,0,0]=3 1204 B12R1.17 CCOC(=O)c1cccc(c1)O TS12170 [0,2,0,0,0,0|1,0,0]=3 1205 B12R1.17 CCOC(=O)c1cccc(c1)[Zn+] TS64290 [0,2,0,0,0,0|1,0,0]=3 1206 B12R1.17 CCOC(=O)c1cccc(n1)Br TS08519 [0,2,0,0,0,0|2,0,0]=4 1207 B12R1.17 CCOC(=O)c1ccnc(c1)Br TS24818 [0,2,0,0,0,0|2,0,0]=4 1208 B12R1.17 CCOC(=O)c1ccnc(c1)Cl TS55913 [0,2,0,0,0,0|2,0,0]=4 1209 B12R1.17 CCOC(=O)c1ccnc(c1)N TS47474 [0,2,0,0,0,0|2,0,0]=4 1210 B12R1.17 CNCC(=O)c1cccc(c1)O TS38166 [0,2,0,0,0,0|2,0,0]=4 1211 B12R1.17 CNCC(=O)c1cccc(c1)O TS62149 [0,2,0,0,0,0|2,0,0]=4 1212 B12R1.30 C=CCNC(=O)c1ccccc1 TS42307 [0,2,0,0,0,0|2,0,0]=4 1213 B12R1.30 C=CCOC(=O)c1ccncc1 TS11684 [0,2,0,0,0,0|2,0,0]=4 1214 B12R1.30 CCCCC(=O)c1ccccc1 TS11583 [0,2,0,0,0,0|2,0,0]=4 1215 B12R1.30 CCCCC(=O)c1ccccc1 TS42489 [0,2,0,0,0,0|2,0,0]=4 1216 B12R1.30 CCCOC(=O)c1ccccc1 TS11882 [0,2,0,0,0,0|1,0,0]=3 1217 B12R1.30 CCSCC(=O)c1ccccc1 TS14653 [0,2,0,0,0,0|1,1,0]=4 1218 B12R1.30 c1cc(cnc1)C(=O)CCC#N TS11246 [0,2,0,0,0,0|1,0,0]=3 1219 B12R1.30 c1ccc(cc1)C(=O)CCCBr TS16775 [0,2,0,0,0,0|2,0,0]=4 1220 B12R1.30 c1ccc(cc1)C(=O)OCCBr TS55166 [0,2,0,0,0,0|1,0,0]=3 1221 B12R1.30 c1ccc(cc1)C(=O)OCCCl TS15372 [0,2,0,0,0,0|1,0,0]=3 1222 B12R1.30 c1ccc(cc1)C(=O)OCCI TS31073 [0,2,0,0,0,0|1,0,0]=3 1223 B12R1.30 c1ccc(cc1)C(=O)SCCN TS22303 [0,2,0,0,0,0|1,1,0]=4 1224 B12R1.107 CC(=O)CC(=O)c1ccccc1 TS42435 [0,2,0,0,0,0|2,0,0]=4 1225 B12R1.107 CC(C)OC(=O)c1ccccc1 TS11876 [0,2,0,0,0,0|1,0,0]=3 1226 B12R1.107 CC(C)OC(=O)c1cccnc1 TS42894 [0,2,0,0,0,0|0,0,0]=2 1227 B12R1.107 C[S+](C)CC(=O)c1ccccc1 TS29651 [0,2,0,0,0,0|1,1,0]=4 1228 B12R1.107 C[S+](C)CC(=O)c1ccccc1 TS30492 [0,2,0,0,0,0|1,1,0]=4 1229 B12R1.308 C=COC(=O)c1ccccc1Cl TS48356 [0,2,0,0,0,0|1,0,1]=4 1230 B12R1.308 CCCC(=O)c1ccccc1O TS42728 [0,2,0,0,0,0|2,0,0]=4 1231 B12R1.308 CCNC(=O)c1ccccc1Br TS24454 [0,2,0,0,0,0|2,0,0]=4 1232 B12R1.308 CCNC(=O)c1ccccc1N TS42763 [0,2,0,0,0,0|2,0,0]=4 1233 B12R1.308 CCOC(=O)c1c(ccnn1)C TS86495 [0,2,0,0,0,0|1,0,0]=3 1234 B12R1.308 CCOC(=O)c1c(nccn1)Cl TS08513 [0,2,0,0,0,0|1,0,0]=3 1235 B12R1.308 CCOC(=O)c1ccccc1Br TS52778 [0,2,0,0,0,0|1,0,0]=3 1236 B12R1.308 CCOC(=O)c1ccccc1C TS11892 [0,2,0,0,0,0|1,0,0]=3 1237 B12R1.308 CCOC(=O)c1ccccc1Cl TS15373 [0,2,0,0,0,0|1,0,0]=3 1238 B12R1.308 CCOC(=O)c1ccccc1F TS44853 [0,2,0,0,0,0|1,0,0]=3 1239 B12R1.308 CCOC(=O)c1ccccc1N TS39641 [0,2,0,0,0,0|1,0,0]=3 1240 B12R1.308 CCOC(=O)c1ccccc1O TS12199 [0,2,0,0,0,0|1,0,0]=3 1241 B12R1.308 CCOC(=O)c1ccccc1S TS15010 [0,2,0,0,0,0|1,0,0]=3 1242 B12R1.308 CCOC(=O)c1ccccc1[Zn+] TS58500 [0,2,0,0,0,0|1,0,0]=3 1243 B12R1.308 CCOC(=O)c1cccnc1C TS02437 [0,2,0,0,0,0|0,0,0]=2 1244 B12R1.308 CCOC(=O)c1cccnc1Cl TS55914 [0,2,0,0,0,0|0,0,0]=2 1245 B12R1.308 CCOC(=O)c1cccnc1N TS08493 [0,2,0,0,0,0|0,0,0]=2 1246 B12R1.308 CCOC(=O)c1ccncc1Cl TS15514 [0,2,0,0,0,0|2,0,0]=4 1247 B12R1.308 CCOC(=O)c1ccncc1N TS08508 [0,2,0,0,0,0|2,0,0]=4 1248 B12R1.308 CCOC(=O)c1ccncc1O TS91202 [0,2,0,0,0,0|2,0,0]=4 1249 B12R1.308 CCOC(=O)c1ccnnc1C TS91259 [0,2,0,0,0,0|1,0,0]=3 1250 B12R1.308 CCOC(=O)c1cnccc1Br TS24820 [0,2,0,0,0,0|0,0,0]=2 1251 B12R1.308 CCOC(=O)c1cnccc1Cl TS09677 [0,2,0,0,0,0|0,0,0]=2 1252 B12R1.308 CCOC(=O)c1cnccc1N TS03006 [0,2,0,0,0,0|0,0,0]=2 1253 B12R1.308 CCOC(=O)c1cncnc1C TS43061 [0,2,0,0,0,0|1,0,0]=3 1254 B12R1.308 CCOC(=O)c1cncnc1Cl TS16554 [0,2,0,0,0,0|1,0,0]=3 1255 B12R1.308 CCOC(=O)c1cnncc1C TS89763 [0,2,0,0,0,0|1,0,0]=3 1256 B12R1.5 CCC(=O)c1ccc(cc1)OC TS11868 [0,2,0,0,0,0|2,0,0]=4 1257 B12R1.5 CC[n+]1ccc(cc1)C(=O)OC TS58356 [0,2,0,0,0,0|2,0,0]=4 1258 B12R1.5 CCc1ccc(cc1)C(=O)CC TS42487 [0,2,0,0,0,0|2,0,0]=4 1259 B12R1.5 CCc1ccc(cc1)C(=O)OC TS11864 [0,2,0,0,0,0|1,0,0]=3 1260 B12R1.5 CNc1ccc(cc1)C(=O)OC TS12013 [0,2,0,0,0,0|1,0,0]=3 1261 B12R1.5 COC(=O)c1ccc(cc1)C#C TS42145 [0,2,0,0,0,0|1,0,0]=3 1262 B12R1.5 COC(=O)c1ccc(cc1)C#N TS16563 [0,2,0,0,0,0|1,0,0]=3 1263 B12R1.5 COC(=O)c1ccc(cc1)C=C TS42431 [0,2,0,0,0,0|1,0,0]=3 1264 B12R1.5 COC(=O)c1ccc(cc1)C=O TS93418 [0,2,0,0,0,0|1,0,0]=3 1265 B12R1.5 COC(=O)c1ccc(cc1)CBr TS08583 [0,2,0,0,0,0|1,0,0]=3 1266 B12R1.5 COC(=O)c1ccc(cc1)CCl TS08584 [0,2,0,0,0,0|1,0,0]=3 1267 B12R1.5 COC(=O)c1ccc(cc1)CN TS38169 [0,2,0,0,0,0|1,0,0]=3 1268 B12R1.5 COC(=O)c1ccc(cc1)CO TS65237 [0,2,0,0,0,0|1,0,0]=3 1269 B12R1.5 COC(=O)c1ccc(cn1)CBr TS24821 [0,2,0,0,0,0|2,0,0]=4 1270 B12R1.5 COC(=O)c1ccc(nc1)CCl TS48793 [0,2,0,0,0,0|0,0,0]=2 1271 B12R1.5 COC(=O)c1ccc(nc1)CN TS43069 [0,2,0,0,0,0|0,0,0]=2 1272 B12R1.5 COC(=O)c1ccc(nc1)CO TS55610 [0,2,0,0,0,0|0,0,0]=2 1273 B12R1.5 COC(=O)c1ccc(nn1)NN TS86818 [0,2,0,0,0,0|1,0,0]=3 1274 B12R1.5 COC(=O)c1cnc(nc1)SC TS15284 [0,2,0,0,0,0|1,0,0]=3 1275 B12R1.5 COc1ccc(cc1)C(=O)OC TS43036 [0,2,0,0,0,0|1,0,0]=3 1276 B12R1.5 COc1ccc(cn1)C(=O)OC TS16597 [0,2,0,0,0,0|0,0,0]=2 1277 B12R1.5 COc1ccc(nc1)C(=O)OC TS85745 [0,2,0,0,0,0|2,0,0]=4 1278 B12R1.20 CC(=O)C(=O)c1ccc(cc1)Cl TS48347 [0,2,0,0,0,0|2,0,0]=4 1279 B12R1.20 CC(C(=O)c1ccc(cc1)Br)Br TS35454 [0,2,0,0,0,0|2,0,0]=4 1280 B12R1.20 CC(C(=O)c1ccc(cc1)Cl)Br TS09115 [0,2,0,0,0,0|2,0,0]=4 1281 B12R1.20 CC(C(=O)c1ccc(cc1)O)Br TS00838 [0,2,0,0,0,0|2,0,0]=4 1282 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl TS48369 [0,2,0,0,0,0|2,0,0]=4 1283 B12R1.20 CC(C)C(=O)c1ccc(cc1)F TS08678 [0,2,0,0,0,0|2,0,0]=4 1284 B12R1.20 CN(C)C(=O)c1ccc(cc1)I TS33669 [0,2,0,0,0,0|2,0,0]=4 1285 B12R1.20 CN(C)C(=O)c1ccc(cc1)N TS03004 [0,2,0,0,0,0|2,0,0]=4 1286 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F TS25009 [0,2,0,0,0,0|2,0,0]=4 1287 B12R1.367 CCC(=O)c1ccc(c(c1)C)C TS11591 [0,2,0,0,0,0|2,0,0]=4 1288 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl TS19511 [0,2,0,0,0,0|2,0,0]=4 1289 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)F TS48998 [0,2,0,0,0,0|2,0,0]=4 1290 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)N TS48495 [0,2,0,0,0,0|2,0,0]=4 1291 B12R1.367 CCC(=O)c1ccc(c(c1)F)F TS45098 [0,2,0,0,0,0|2,0,0]=4 1292 B12R1.367 CCC(=O)c1ccc(c(c1)O)O TS12197 [0,2,0,0,0,0|2,0,0]=4 1293 B12R1.367 COC(=O)c1cc(c(=O)oc1)Br TS25325 [0,2,0,0,0,0|1,0,0]=3 1294 B12R1.367 COC(=O)c1cc(c(cn1)O)O TS91711 [0,2,0,0,0,0|2,0,0]=4 1295 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Br TS56305 [0,2,0,0,0,0|0,0,0]=2 1296 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Cl TS20085 [0,2,0,0,0,0|0,0,0]=2 1297 B12R1.367 COC(=O)c1cc(c(nc1)N)Br TS16591 [0,2,0,0,0,0|0,0,0]=2 1298 B12R1.367 COC(=O)c1cc(c(nc1)O)O TS92420 [0,2,0,0,0,0|0,0,0]=2 1299 B12R1.367 COC(=O)c1ccc(c(c1)Br)F TS65232 [0,2,0,0,0,0|1,0,0]=3 1300 B12R1.367 COC(=O)c1ccc(c(c1)Br)I TS22773 [0,2,0,0,0,0|1,0,0]=3 1301 B12R1.367 COC(=O)c1ccc(c(c1)Br)N TS02975 [0,2,0,0,0,0|1,0,0]=3 1302 B12R1.367 COC(=O)c1ccc(c(c1)Br)O TS53113 [0,2,0,0,0,0|1,0,0]=3 1303 B12R1.367 COC(=O)c1ccc(c(c1)Cl)Cl TS19901 [0,2,0,0,0,0|1,0,0]=3 1304 B12R1.367 COC(=O)c1ccc(c(c1)Cl)N TS15518 [0,2,0,0,0,0|1,0,0]=3 1305 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O TS15704 [0,2,0,0,0,0|1,0,0]=3 1306 B12R1.367 COC(=O)c1ccc(c(c1)F)Br TS56288 [0,2,0,0,0,0|1,0,0]=3 1307 B12R1.367 COC(=O)c1ccc(c(c1)F)F TS45413 [0,2,0,0,0,0|1,0,0]=3 1308 B12R1.367 COC(=O)c1ccc(c(c1)F)O TS45080 [0,2,0,0,0,0|1,0,0]=3 1309 B12R1.367 COC(=O)c1ccc(c(c1)I)Cl TS58672 [0,2,0,0,0,0|1,0,0]=3 1310 B12R1.367 COC(=O)c1ccc(c(c1)I)N TS39545 [0,2,0,0,0,0|1,0,0]=3 1311 B12R1.367 COC(=O)c1ccc(c(c1)I)O TS02307 [0,2,0,0,0,0|1,0,0]=3 1312 B12R1.367 COC(=O)c1ccc(c(c1)N)Br TS65465 [0,2,0,0,0,0|1,0,0]=3 1313 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl TS08570 [0,2,0,0,0,0|1,0,0]=3 1314 B12R1.367 COC(=O)c1ccc(c(c1)N)N TS08563 [0,2,0,0,0,0|1,0,0]=3 1315 B12R1.367 COC(=O)c1ccc(c(c1)N)O TS65231 [0,2,0,0,0,0|1,0,0]=3 1316 B12R1.367 COC(=O)c1ccc(c(c1)O)F TS33164 [0,2,0,0,0,0|1,0,0]=3 1317 B12R1.367 COC(=O)c1ccc(c(c1)O)I TS02316 [0,2,0,0,0,0|1,0,0]=3 1318 B12R1.367 COC(=O)c1ccc(c(c1)O)N TS39548 [0,2,0,0,0,0|1,0,0]=3 1319 B12R1.367 COC(=O)c1ccc(c(c1)O)O TS08564 [0,2,0,0,0,0|1,0,0]=3 1320 B12R1.367 COC(=O)c1ccc(c(n1)N)Br TS25006 [0,2,0,0,0,0|2,0,0]=4 1321 B12R1.367 COC(=O)c1ccc(c(n1)O)O TS88111 [0,2,0,0,0,0|2,0,0]=4 1322 B12R1.367 COC(=O)c1cnc(c(n1)Br)N TS91626 [0,2,0,0,0,0|1,0,0]=3 1323 B12R1.367 COC(=O)c1cnc(c(n1)I)N TS91442 [0,2,0,0,0,0|1,0,0]=3 1324 B12R1.367 Cc1cc(ccc1Br)C(=O)OC TS56289 [0,2,0,0,0,0|1,0,0]=3 1325 B12R1.367 Cc1cc(ccc1Cl)C(=O)OC TS48670 [0,2,0,0,0,0|1,0,0]=3 1326 B12R1.367 Cc1cc(ccc1I)C(=O)OC TS16570 [0,2,0,0,0,0|1,0,0]=3 1327 B12R1.367 Cc1cc(ccc1N)C(=O)OC TS08592 [0,2,0,0,0,0|1,0,0]=3 1328 B12R1.367 Cc1cc(ncc1Br)C(=O)OC TS16789 [0,2,0,0,0,0|2,0,0]=4 1329 B12R1.367 Cc1cc(ncc1N)C(=O)OC TS85853 [0,2,0,0,0,0|2,0,0]=4 1330 B12R1.367 Cc1ccc(cc1Br)C(=O)OC TS56265 [0,2,0,0,0,0|1,0,0]=3 1331 B12R1.367 Cc1ccc(cc1C)C(=O)OC TS11874 [0,2,0,0,0,0|1,0,0]=3 1332 B12R1.367 Cc1ccc(cc1Cl)C(=O)OC TS32935 [0,2,0,0,0,0|1,0,0]=3 1333 B12R1.367 Cc1ccc(cc1I)C(=O)OC TS31074 [0,2,0,0,0,0|1,0,0]=3 1334 B12R1.367 Cc1ccc(cc1N)C(=O)OC TS08571 [0,2,0,0,0,0|1,0,0]=3 1335 B12R1.367 Cc1ccc(cc1O)C(=O)OC TS70610 [0,2,0,0,0,0|1,0,0]=3 1336 B12R1.367 Cn1cc(ccc1=O)C(=O)OC TS85514 [0,2,0,0,0,0|0,0,1]=3 1337 B12R1.367 Cn1ccc(cc1=O)C(=O)OC TS89885 [0,2,0,0,0,0|2,0,0]=4 1338 B12R1.1703 CCC(=O)c1ccc(cc1C)C TS11586 [0,2,0,0,0,0|2,0,0]=4 1339 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl TS19507 [0,2,0,0,0,0|2,0,0]=4 1340 B12R1.1703 CCC(=O)c1ccc(cc1F)F TS47220 [0,2,0,0,0,0|2,0,0]=4 1341 B12R1.1703 CCC(=O)c1ccc(cc1O)Br TS52785 [0,2,0,0,0,0|2,0,0]=4 1342 B12R1.1703 CCC(=O)c1ccc(cc1O)N TS12033 [0,2,0,0,0,0|2,0,0]=4 1343 B12R1.1703 CCC(=O)c1ccc(cc1O)O TS43045 [0,2,0,0,0,0|2,0,0]=4 1344 B12R1.1703 CNC(=O)c1ccc(cc1F)Br TS94070 [0,2,0,0,0,0|2,0,0]=4 1345 B12R1.1703 COC(=O)c1c(cc(cn1)Br)N TS91343 [0,2,0,0,0,0|2,0,0]=4 1346 B12R1.1703 COC(=O)c1ccc(cc1Br)F TS53412 [0,2,0,0,0,0|1,0,0]=3 1347 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl TS56235 [0,2,0,0,0,0|1,0,0]=3 1348 B12R1.1703 COC(=O)c1ccc(cc1Cl)F TS16079 [0,2,0,0,0,0|1,0,0]=3 1349 B12R1.1703 COC(=O)c1ccc(cc1Cl)O TS08828 [0,2,0,0,0,0|1,0,0]=3 1350 B12R1.1703 COC(=O)c1ccc(cc1F)F TS56236 [0,2,0,0,0,0|1,0,0]=3 1351 B12R1.1703 COC(=O)c1ccc(cc1F)N TS08590 [0,2,0,0,0,0|1,0,0]=3 1352 B12R1.1703 COC(=O)c1ccc(cc1N)Br TS56230 [0,2,0,0,0,0|1,0,0]=3 1353 B12R1.1703 COC(=O)c1ccc(cc1N)Cl TS56244 [0,2,0,0,0,0|1,0,0]=3 1354 B12R1.1703 COC(=O)c1ccc(cc1O)F TS77151 [0,2,0,0,0,0|1,0,0]=3 1355 B12R1.1703 COC(=O)c1ccc(cc1O)N TS60146 [0,2,0,0,0,0|1,0,0]=3 1356 B12R1.1703 COC(=O)c1ccc(cc1O)O TS44823 [0,2,0,0,0,0|1,0,0]=3 1357 B12R1.1703 COC(=O)c1ccc(nc1N)Cl TS90534 [0,2,0,0,0,0|0,0,0]=2 1358 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl TS08587 [0,2,0,0,0,0|0,0,0]=2 1359 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Br TS70985 [0,2,0,0,0,0|0,0,0]=2 1360 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Cl TS09665 [0,2,0,0,0,0|0,0,0]=2 1361 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br TS56286 [0,2,0,0,0,0|1,0,0]=3 1362 B12R1.1703 Cc1cc(ccc1C(=O)OC)N TS32962 [0,2,0,0,0,0|1,0,0]=3 1363 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br TS16994 [0,2,0,0,0,0|2,0,0]=4 1364 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC TS08554 [0,2,0,0,0,0|1,0,0]=3 1365 B12R1.1703 Cc1ccc(c(c1)C)C(=O)OC TS42735 [0,2,0,0,0,0|1,0,0]=3 1366 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC TS16574 [0,2,0,0,0,0|1,0,0]=3 1367 B12R1.1703 Cc1ccc(c(n1)Br)C(=O)OC TS08369 [0,2,0,0,0,0|0,0,0]=2 1368 B12R1.24 CCC(=O)c1cccc(c1F)F TS45095 [0,2,0,0,0,0|2,0,0]=4 1369 B12R1.24 COC(=O)c1cccc(c1Br)N TS08860 [0,2,0,0,0,0|1,0,0]=3 1370 B12R1.24 COC(=O)c1cccc(c1Cl)Cl TS19902 [0,2,0,0,0,0|1,0,0]=3 1371 B12R1.24 COC(=O)c1cccc(c1N)Cl TS56241 [0,2,0,0,0,0|1,0,0]=3 1372 B12R1.24 COC(=O)c1cccc(c1O)F TS45085 [0,2,0,0,0,0|1,0,0]=3 1373 B12R1.24 COC(=O)c1ccnc(c1F)Cl TS65229 [0,2,0,0,0,0|2,0,0]=4 1374 B12R1.24 COC(=O)c1ccnc(c1N)Cl TS08568 [0,2,0,0,0,0|2,0,0]=4 1375 B12R1.24 Cc1c(cccc1N)C(=O)OC TS39541 [0,2,0,0,0,0|1,0,0]=3 1376 B12R1.24 Cc1cccc(c1Br)C(=O)OC TS08552 [0,2,0,0,0,0|1,0,0]=3 1377 B12R1.24 Cc1cccc(c1N)C(=O)NC TS65228 [0,2,0,0,0,0|2,0,0]=4 1378 B12R1.24 Cc1cccc(c1N)C(=O)OC TS56246 [0,2,0,0,0,0|1,0,0]=3 1379 B12R1.24 Cc1cccc(c1O)C(=O)OC TS59794 [0,2,0,0,0,0|1,0,0]=3 1380 B12R1.24 Cn1cccc(c1=O)C(=O)OC TS89492 [0,2,0,0,0,0|0,0,1]=3 1381 B12R1.225 CC(C(=O)c1cccc(c1)Br)Br TS35453 [0,2,0,0,0,0|2,0,0]=4 1382 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Br TS27652 [0,2,0,0,0,0|2,0,0]=4 1383 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Cl TS19512 [0,2,0,0,0,0|2,0,0]=4 1384 B12R1.354 CCC(=O)c1cc(ccc1F)F TS45097 [0,2,0,0,0,0|2,0,0]=4 1385 B12R1.354 CCC(=O)c1cc(ccc1N)Br TS24459 [0,2,0,0,0,0|2,0,0]=4 1386 B12R1.354 CCC(=O)c1cc(ccc1O)Br TS52798 [0,2,0,0,0,0|2,0,0]=4 1387 B12R1.354 CCC(=O)c1cc(ccc1O)C TS42743 [0,2,0,0,0,0|2,0,0]=4 1388 B12R1.354 CCC(=O)c1cc(ccc1O)Cl TS60084 [0,2,0,0,0,0|2,0,0]=4 1389 B12R1.354 CCC(=O)c1cc(ccc1O)F TS44842 [0,2,0,0,0,0|2,0,0]=4 1390 B12R1.354 CCC(=O)c1cc(ccc1O)O TS12160 [0,2,0,0,0,0|2,0,0]=4 1391 B12R1.354 COC(=O)c1c(ccc(n1)Cl)Cl TS38920 [0,2,0,0,0,0|2,0,0]=4 1392 B12R1.354 COC(=O)c1c(ccc(n1)Cl)N TS86451 [0,2,0,0,0,0|2,0,0]=4 1393 B12R1.354 COC(=O)c1c(ccc(n1)N)Br TS25007 [0,2,0,0,0,0|2,0,0]=4 1394 B12R1.354 COC(=O)c1c(ncc(n1)Br)Br TS91686 [0,2,0,0,0,0|1,0,0]=3 1395 B12R1.354 COC(=O)c1c(ncc(n1)Br)N TS53256 [0,2,0,0,0,0|1,0,0]=3 1396 B12R1.354 COC(=O)c1c(ncc(n1)Cl)N TS08574 [0,2,0,0,0,0|1,0,0]=3 1397 B12R1.354 COC(=O)c1c(ncc(n1)I)N TS65870 [0,2,0,0,0,0|1,0,0]=3 1398 B12R1.354 COC(=O)c1cc(ccc1Br)Br TS58437 [0,2,0,0,0,0|1,0,0]=3 1399 B12R1.354 COC(=O)c1cc(ccc1Br)Cl TS29461 [0,2,0,0,0,0|1,0,0]=3 1400 B12R1.354 COC(=O)c1cc(ccc1Br)F TS32906 [0,2,0,0,0,0|1,0,0]=3 1401 B12R1.354 COC(=O)c1cc(ccc1Cl)Cl TS19911 [0,2,0,0,0,0|1,0,0]=3 1402 B12R1.354 COC(=O)c1cc(ccc1Cl)I TS58673 [0,2,0,0,0,0|1,0,0]=3 1403 B12R1.354 COC(=O)c1cc(ccc1Cl)N TS15522 [0,2,0,0,0,0|1,0,0]=3 1404 B12R1.354 COC(=O)c1cc(ccc1F)N TS44983 [0,2,0,0,0,0|1,0,0]=3 1405 B12R1.354 COC(=O)c1cc(ccc1I)O TS33984 [0,2,0,0,0,0|1,0,0]=3 1406 B12R1.354 COC(=O)c1cc(ccc1N)Br TS08543 [0,2,0,0,0,0|1,0,0]=3 1407 B12R1.354 COC(=O)c1cc(ccc1N)Cl TS16582 [0,2,0,0,0,0|1,0,0]=3 1408 B12R1.354 COC(=O)c1cc(ccc1N)F TS00786 [0,2,0,0,0,0|1,0,0]=3 1409 B12R1.354 COC(=O)c1cc(ccc1N)I TS31197 [0,2,0,0,0,0|1,0,0]=3 1410 B12R1.354 COC(=O)c1cc(ccc1O)Br TS53120 [0,2,0,0,0,0|1,0,0]=3 1411 B12R1.354 COC(=O)c1cc(ccc1O)Cl TS15713 [0,2,0,0,0,0|1,0,0]=3 1412 B12R1.354 COC(=O)c1cc(ccc1O)F TS16583 [0,2,0,0,0,0|1,0,0]=3 1413 B12R1.354 COC(=O)c1cc(ccc1O)I TS33987 [0,2,0,0,0,0|1,0,0]=3 1414 B12R1.354 COC(=O)c1cc(ccc1O)N TS43220 [0,2,0,0,0,0|1,0,0]=3 1415 B12R1.354 COC(=O)c1cc(ccc1O)O TS60141 [0,2,0,0,0,0|1,0,0]=3 1416 B12R1.354 COC(=O)c1cc(cnc1Br)Br TS89732 [0,2,0,0,0,0|0,0,0]=2 1417 B12R1.354 COC(=O)c1cc(cnc1Cl)Br TS56302 [0,2,0,0,0,0|0,0,0]=2 1418 B12R1.354 COC(=O)c1cc(cnc1Cl)Cl TS56237 [0,2,0,0,0,0|0,0,0]=2 1419 B12R1.354 COC(=O)c1cc(cnc1N)Br TS25008 [0,2,0,0,0,0|0,0,0]=2 1420 B12R1.354 COC(=O)c1cc(cnc1N)Br TS86954 [0,2,0,0,0,0|0,0,0]=2 1421 B12R1.354 COC(=O)c1cc(cnc1O)Br TS88516 [0,2,0,0,0,0|0,0,0]=2 1422 B12R1.354 COC(=O)c1cc(n[nH]c1=O)Cl TS90516 [0,2,0,0,0,0|1,0,1]=4 1423 B12R1.354 COC(=O)c1cc(ncc1Br)Cl TS28102 [0,2,0,0,0,0|2,0,0]=4 1424 B12R1.354 COC(=O)c1cc(ncc1N)Br TS87939 [0,2,0,0,0,0|2,0,0]=4 1425 B12R1.354 COC(=O)c1cc(nnc1Cl)Cl TS91291 [0,2,0,0,0,0|1,0,0]=3 1426 B12R1.354 Cc1cc(c(nc1)N)C(=O)OC TS43065 [0,2,0,0,0,0|0,0,0]=2 1427 B12R1.354 Cc1ccc(c(c1)C(=O)OC)I TS31069 [0,2,0,0,0,0|1,0,0]=3 1428 B12R1.354 Cc1ccc(c(c1)C(=O)OC)O TS16588 [0,2,0,0,0,0|1,0,0]=3 1429 B12R1.354 Cc1ccc(cc1C(=O)OC)Br TS85253 [0,2,0,0,0,0|1,0,0]=3 1430 B12R1.354 Cc1ccc(cc1C(=O)OC)F TS16584 [0,2,0,0,0,0|1,0,0]=3 1431 B12R1.354 Cc1ccc(cc1C(=O)OC)I TS33764 [0,2,0,0,0,0|1,0,0]=3 1432 B12R1.354 Cc1ccc(cc1C(=O)OC)N TS56296 [0,2,0,0,0,0|1,0,0]=3 1433 B12R1.354 Cc1ccc(cc1C(=O)OC)O TS12198 [0,2,0,0,0,0|1,0,0]=3 1434 B12R1.354 Cc1ccc(nc1C(=O)OC)Cl TS00162 [0,2,0,0,0,0|2,0,0]=4 1435 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)Cl TS94244 [0,2,0,0,0,0|2,0,0]=4 1436 B12R1.358 CCC(=O)c1cc(cc(c1)F)F TS45101 [0,2,0,0,0,0|2,0,0]=4 1437 B12R1.358 COC(=O)c1cc(cc(c1)Br)Br TS58435 [0,2,0,0,0,0|1,0,0]=3 1438 B12R1.358 COC(=O)c1cc(cc(c1)Br)F TS53411 [0,2,0,0,0,0|1,0,0]=3 1439 B12R1.358 COC(=O)c1cc(cc(c1)Cl)Cl TS19906 [0,2,0,0,0,0|1,0,0]=3 1440 B12R1.358 COC(=O)c1cc(cc(c1)I)N TS31199 [0,2,0,0,0,0|1,0,0]=3 1441 B12R1.358 COC(=O)c1cc(cc(c1)N)N TS12228 [0,2,0,0,0,0|1,0,0]=3 1442 B12R1.358 COC(=O)c1cc(cc(c1)O)O TS12481 [0,2,0,0,0,0|1,0,0]=3 1443 B12R1.358 COC(=O)c1cc(cc(n1)N)Br TS47389 [0,2,0,0,0,0|2,0,0]=4 1444 B12R1.358 COC(=O)c1cc(nc(c1)Br)Br TS89645 [0,2,0,0,0,0|2,0,0]=4 1445 B12R1.358 COC(=O)c1cc(nc(c1)Cl)Cl TS39898 [0,2,0,0,0,0|2,0,0]=4 1446 B12R1.358 Cc1cc(cc(c1)C(=O)OC)C TS11866 [0,2,0,0,0,0|1,0,0]=3 1447 B12R1.358 Cc1cc(cc(n1)Br)C(=O)OC TS85232 [0,2,0,0,0,0|2,0,0]=4 1448 B12R1.358 Cc1cc(cc(n1)Cl)C(=O)OC TS56250 [0,2,0,0,0,0|2,0,0]=4 1449 B12R1.435 CCC(=O)c1cccc(c1)OC TS02826 [0,2,0,0,0,0|2,0,0]=4 1450 B12R1.435 COC(=O)c1cc(ccn1)CBr TS24824 [0,2,0,0,0,0|2,0,0]=4 1451 B12R1.435 COC(=O)c1cc(cnc1)C#N TS42414 [0,2,0,0,0,0|0,0,0]=2 1452 B12R1.435 COC(=O)c1cccc(c1)C#C TS42137 [0,2,0,0,0,0|1,0,0]=3 1453 B12R1.435 COC(=O)c1cccc(c1)C#N TS33068 [0,2,0,0,0,0|1,0,0]=3 1454 B12R1.435 COC(=O)c1cccc(c1)C=O TS56273 [0,2,0,0,0,0|1,0,0]=3 1455 B12R1.435 COC(=O)c1cccc(c1)CBr TS02301 [0,2,0,0,0,0|1,0,0]=3 1456 B12R1.435 COC(=O)c1cccc(c1)CCl TS60306 [0,2,0,0,0,0|1,0,0]=3 1457 B12R1.435 COC(=O)c1cccc(c1)CN TS19284 [0,2,0,0,0,0|1,0,0]=3 1458 B12R1.435 COC(=O)c1cccc(n1)C#N TS11514 [0,2,0,0,0,0|2,0,0]=4 1459 B12R1.435 COC(=O)c1cccc(n1)C=O TS11989 [0,2,0,0,0,0|2,0,0]=4 1460 B12R1.435 COC(=O)c1cccc(n1)CF TS12661 [0,2,0,0,0,0|2,0,0]=4 1461 B12R1.435 COC(=O)c1cccc(n1)CO TS12368 [0,2,0,0,0,0|2,0,0]=4 1462 B12R1.435 COC(=O)c1ccnc(c1)C#N TS42421 [0,2,0,0,0,0|2,0,0]=4 1463 B12R1.435 COC(=O)c1ccnc(c1)CN TS56233 [0,2,0,0,0,0|2,0,0]=4 1464 B12R1.435 COc1cc(ccn1)C(=O)OC TS88888 [0,2,0,0,0,0|2,0,0]=4 1465 B12R1.435 COc1cc(cnc1)C(=O)OC TS43201 [0,2,0,0,0,0|0,0,0]=2 1466 B12R1.435 COc1cccc(c1)C(=O)OC TS12177 [0,2,0,0,0,0|1,0,0]=3 1467 B12R1.435 COc1cccc(n1)C(=O)OC TS12356 [0,2,0,0,0,0|2,0,0]=4 1468 B12R1.435 COc1ccnc(c1)C(=O)OC TS12354 [0,2,0,0,0,0|2,0,0]=4 1469 B12R1.435 COc1ccnc(c1)C(=O)OC TS19651 [0,2,0,0,0,0|2,0,0]=4 1470 B12R1.435 COc1cncc(n1)C(=N)OC TS43229 [0,2,0,0,0,0|2,0,0]=4 1471 B12R1.435 COc1cncc(n1)C(=O)OC TS12502 [0,2,0,0,0,0|1,0,0]=3 1472 B12R1.124 CN(C(=O)c1ccccc1N)N TS12043 [0,2,0,0,0,0|2,0,0]=4 1473 B12R1.124 CN(C)C(=O)c1ccccc1Br TS24453 [0,2,0,0,0,0|2,0,0]=4 1474 B12R1.564 CC(C(=O)c1ccccc1)(Cl)Cl TS19509 [0,2,0,0,0,0|2,0,0]=4 1475 B12R1.564 CC(C)(C(=O)c1ccccc1)Br TS52462 [0,2,0,0,0,0|2,0,0]=4 1476 B12R1.564 CC(C)(C(=O)c1ccccc1)O TS11861 [0,2,0,0,0,0|2,0,0]=4 1477 B12R1.564 CC(C)(C)C(=O)c1ccccc1 TS11595 [0,2,0,0,0,0|2,0,0]=4 1478 B12R1.77 CCc1ccccc1C(=O)CC TS42486 [0,2,0,0,0,0|2,0,0]=4 1479 B12R1.77 CNc1ccccc1C(=O)OC TS42906 [0,2,0,0,0,0|1,0,0]=3 1480 B12R1.77 COC(=O)c1c(cccn1)C#N TS11509 [0,2,0,0,0,0|2,0,0]=4 1481 B12R1.77 COC(=O)c1c(cccn1)CBr TS24814 [0,2,0,0,0,0|2,0,0]=4 1482 B12R1.77 COC(=O)c1ccccc1C#N TS56253 [0,2,0,0,0,0|1,0,0]=3 1483 B12R1.77 COC(=O)c1ccccc1C=O TS56257 [0,2,0,0,0,0|1,0,0]=3 1484 B12R1.77 COC(=O)c1ccccc1CBr TS00850 [0,2,0,0,0,0|1,0,0]=3 1485 B12R1.77 COC(=O)c1ccccc1CCl TS15378 [0,2,0,0,0,0|1,0,0]=3 1486 B12R1.77 COC(=O)c1ccccc1CI TS31078 [0,2,0,0,0,0|1,0,0]=3 1487 B12R1.77 COC(=O)c1ccccc1CN TS19283 [0,2,0,0,0,0|1,0,0]=3 1488 B12R1.77 COC(=O)c1ccccc1CO TS43040 [0,2,0,0,0,0|1,0,0]=3 1489 B12R1.77 COC(=O)c1ccccc1NN TS38357 [0,2,0,0,0,0|1,0,0]=3 1490 B12R1.77 COC(=O)c1ccccc1SC TS14999 [0,2,0,0,0,0|1,0,0]=3 1491 B12R1.77 COC(=O)c1cccnc1C#N TS11519 [0,2,0,0,0,0|0,0,0]=2 1492 B12R1.77 COc1c(cccn1)C(=O)OC TS86112 [0,2,0,0,0,0|0,0,0]=2 1493 B12R1.77 COc1ccccc1C(=O)OC TS12172 [0,2,0,0,0,0|1,0,0]=3 1494 B12R1.77 COc1cccnc1C(=O)OC TS02828 [0,2,0,0,0,0|2,0,0]=4 1495 B12R1.3441 CCC(=O)c1c(cccc1F)F TS45096 [0,2,0,0,0,0|2,0,0]=4 1496 B12R1.3441 COC(=O)c1c(cccc1Br)Cl TS27945 [0,2,0,0,0,0|1,0,0]=3 1497 B12R1.3441 COC(=O)c1c(cccc1Cl)Cl TS19897 [0,2,0,0,0,0|1,0,0]=3 1498 B12R1.3441 COC(=O)c1c(cccc1F)F TS45415 [0,2,0,0,0,0|1,0,0]=3 1499 B12R1.3441 COC(=O)c1c(cccc1F)O TS45084 [0,2,0,0,0,0|1,0,0]=3 1500 B12R1.3441 COC(=O)c1c(cccc1O)O TS12478 [0,2,0,0,0,0|1,0,0]=3 1501 B12R1.3441 COC(=O)c1c(ccnc1Cl)Cl TS86722 [0,2,0,0,0,0|0,0,0]=2 1502 B12R1.3441 COC(=O)c1c(ccnc1Cl)I TS55221 [0,2,0,0,0,0|0,0,0]=2 1503 B12R1.3441 COC(=O)c1c(ccnc1Cl)N TS90592 [0,2,0,0,0,0|0,0,0]=2 1504 B12R1.3441 COC(=O)c1c(ccnc1F)I TS65048 [0,2,0,0,0,0|0,0,0]=2 1505 B12R1.3441 Cc1c(c(ncn1)C)C(=O)OC TS43058 [0,2,0,0,0,0|1,0,0]=3 1506 B12R1.3441 Cc1cccc(c1C(=O)OC)Cl TS48668 [0,2,0,0,0,0|1,0,0]=3 1507 B12R1.3441 Cc1cccc(c1C(=O)OC)O TS12171 [0,2,0,0,0,0|1,0,0]=3 1508 B12R1.3441 Cc1ccnc(c1C(=O)OC)N TS43067 [0,2,0,0,0,0|0,0,0]=2 1509 B12R1.3441 Cc1cn[nH]c(=O)c1C(=O)OC TS91956 [0,2,0,0,0,0|1,0,1]=4 1510 B10R1.20 COc1c(cccn1)C=O TS55430 [0,0,1,1,0,0|2,0,0]=4 1511 B10R1.20 COc1ccccc1C=C TS36839 [0,0,1,1,0,0|2,0,0]=4 1512 B10R1.20 COc1ccccc1C=O TS00088 [0,0,1,1,0,0|2,0,0]=4 1513 B10R1.20 COc1ccncc1C=O TS09135 [0,0,1,1,0,0|2,0,0]=4 1514 B10R1.27 COC(=O)Cc1cccs1 TS01563 [0,0,1,1,0,0|1,0,1]=4 1515 B10R1.27 COC(=O)Cc1ccsc1 TS10692 [0,0,1,1,0,0|1,0,1]=4 1516 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [1,0,0,1,0,0|1,0,0]=3 1517 B10R2.7 c1c2c(ncn1)CN=C2 TS04783 [1,0,0,1,0,0|2,0,0]=4 1518 B10R2.7 c1c[nH]c2c1cncc2 TS71394 [1,0,0,1,0,0|2,0,0]=4 1519 B10R2.7 c1cc2c(nc1)CCC2 TS00545 [1,0,0,1,0,0|1,0,1]=4 1520 B10R2.7 c1cc2c(nc1)CNC2 TS01200 [1,0,0,1,0,0|1,0,1]=4 1521 B10R2.7 c1cc2c(nc1)CNC2 TS90710 [1,0,0,1,0,0|1,0,1]=4 1522 B10R2.7 c1cc2cc[nH]c2nc1 TS01299 [1,0,0,1,0,0|2,0,0]=4 1523 B10R2.7 c1cc2cn[nH]c2nc1 TS04782 [1,0,0,1,0,0|2,0,0]=4 1524 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [1,0,0,1,0,0|2,0,0]=4 1525 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [1,0,0,1,0,0|2,0,0]=4 1526 B10R2.7 c1ccc2c(c1)COC2 TS04810 [1,0,0,1,0,0|1,0,1]=4 1527 B10R2.7 c1ccc2c(c1)con2 TS32394 [1,0,0,1,0,0|2,0,0]=4 1528 B10R2.7 c1cncc2c1CNC2 TS00566 [1,0,0,1,0,0|1,0,1]=4 1529 B10R2.7 c1cncc2c1CNC2 TS41735 [1,0,0,1,0,0|1,0,1]=4 1530 B10R2.7 c1cncc2c1[nH]nc2 TS88164 [1,0,0,1,0,0|2,0,0]=4 1531 B10R2.32 c1c2c(c[nH]1)C(=O)CC2 TS04860 [0,0,0,1,1,0|1,0,1]=4 1532 B12R2.18 CC1c2ccccc2NC1=O TS85089 [0,0,0,1,0,1|2,0,0]=4 1533 B12R2.18 CN1c2ccccc2CC1=O TS40524 [0,0,0,1,0,1|2,0,0]=4 1534 B12R2.18 Cn1c2ccccc2oc1=O TS40731 [0,0,0,1,0,1|2,0,0]=4 1535 B12R2.18 Cn1c2ccccc2sc1=O TS42917 [0,0,0,1,0,1|2,0,0]=4 1536 B12R2.24 c1c2c(ncn1)CCC(=O)C2 TS40630 [0,0,0,1,0,1|2,0,0]=4 1537 B12R2.24 c1ccc2c(c1)CC(=O)NC2 TS46807 [0,0,0,1,0,1|2,0,0]=4 1538 B12R2.24 c1ccc2c(c1)CC(=O)OC2 TS08988 [0,0,0,1,0,1|1,0,0]=3 1539 B12R2.24 c1ccc2c(c1)CCC(=O)C2 TS65651 [0,0,0,1,0,1|2,0,0]=4 1540 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [0,0,0,1,0,1|2,0,0]=4 1541 B12R2.24 c1ccc2c(c1)CCC(=O)O2 TS01918 [0,0,0,1,0,1|2,0,0]=4 1542 B12R2.32 CSc1nc2c(o1)cccn2 TS43099 [0,0,0,1,0,1|1,1,0]=4 1543 B12R2.32 CSc1nc2ccncc2o1 TS43101 [0,0,0,1,0,1|1,1,0]=4 1544 B12R2.1 COc1c2ccccc2[nH]n1 TS91723 [0,1,0,1,0,0|2,0,0]=4 1545 B12R2.1 c1cc2c(c[nH]c2nc1)C=O TS07186 [0,1,0,1,0,0|2,0,0]=4 1546 B12R2.1 c1cc2c(n[nH]c2nc1)C=O TS87455 [0,1,0,1,0,0|2,0,0]=4 1547 B12R2.1 c1cncc2c1[nH]cc2C=O TS07189 [0,1,0,1,0,0|2,0,0]=4 1548 B12R2.2 c1cc(cnc1)C2=NCCN2 TS40553 [0,1,0,1,0,0|2,0,0]=4 1549 B12R2.2 c1cc(cnc1)c2cnco2 TS07195 [0,1,0,1,0,0|1,0,1]=4 1550 B12R2.2 c1cc(cnc1)c2nnco2 TS40008 [0,1,0,1,0,0|1,0,1]=4 1551 B12R2.1081 c1c[nH]c(=O)c2c1ccnc2 TS89677 [0,1,0,1,0,0|1,0,1]=4 1552 B12R2.1081 c1cc2c([nH]cnc2=O)nc1 TS01663 [0,1,0,1,0,0|1,0,1]=4 1553 B12R2.1081 c1cc2c(cc[nH]c2=O)nc1 TS85974 [0,1,0,1,0,0|1,0,1]=4 1554 B12R2.1081 c1cc2c(nc1)CCCC2=O TS01291 [0,1,0,1,0,0|1,0,0]=3 1555 B12R2.1081 c1cc2c(nc1)NCCC2=O TS07434 [0,1,0,1,0,0|1,0,0]=3 1556 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 TS00567 [0,1,0,1,0,0|2,0,0]=4 1557 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 TS71085 [0,1,0,1,0,0|2,0,0]=4 1558 B12R2.1081 c1ccc2c(c1)C(=O)CCS2 TS00277 [0,1,0,1,0,0|2,0,0]=4 1559 B12R2.1081 c1ccc2c(c1)CCCC2=O TS07218 [0,1,0,1,0,0|2,0,0]=4 1560 B12R2.1081 c1ccc2c(c1)CCNC2=O TS02547 [0,1,0,1,0,0|2,0,0]=4 1561 B12R2.1081 c1ccc2c(c1)CCOC2=O TS77141 [0,1,0,1,0,0|1,0,0]=3 1562 B12R2.1081 c1ccc2c(c1)COC=C2O TS07416 [0,1,0,1,0,0|1,0,1]=4 1563 B12R2.1081 c1ccc2c(c1)COCC2=O TS86678 [0,1,0,1,0,0|1,0,0]=3 1564 B12R2.1081 c1cncc2c1CCCC2=O TS01199 [0,1,0,1,0,0|1,0,0]=3 1565 B12R2.1081 c1cncc2c1nc[nH]c2=O TS88320 [0,1,0,1,0,0|1,0,1]=4 1566 B12R2.2028 CC1CC(=O)c2c1cccc2 TS07233 [0,1,0,1,0,0|2,0,0]=4 1567 B12R2.2028 Cn1c2c(cccn2)c(n1)N TS00479 [0,1,0,1,0,0|2,0,0]=4 1568 B12R2.2028 c1cc2c(nc1)C(=O)NC2=O TS40604 [0,1,0,1,0,0|1,0,1]=4 1569 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O TS47175 [0,1,0,1,0,0|0,0,1]=3 1570 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O TS74508 [0,1,0,1,0,0|1,0,1]=4 1571 B12R2.2028 c1ccc2c(c1)C(OC2=O)Br TS44286 [0,1,0,1,0,0|1,0,0]=3 1572 B12R2.2028 c1ccc2c(c1)C(OC2=O)Cl TS46457 [0,1,0,1,0,0|1,0,0]=3 1573 B12R2.2028 c1cnc2c(n1)C(=O)OC2=O TS47173 [0,1,0,1,0,0|1,0,1]=4 1574 B12R2.2028 c1cncc2c1C(=O)NC2=O TS40598 [0,1,0,1,0,0|1,0,1]=4 1575 B12R2.2028 c1cncc2c1C(=O)OC2=O TS36363 [0,1,0,1,0,0|0,0,1]=3 1576 B12R2.2028 c1cncc2c1C(=O)OC2=O TS40711 [0,1,0,1,0,0|0,0,1]=3 1577 B12R2.2075 c1ccc(cc1)C(=O)C2CC2 TS07235 [0,1,0,1,0,0|2,0,0]=4 1578 B12R2.612 Cc1ccc2c(c1)CCC2=O TS55480 [0,1,0,1,0,0|2,0,0]=4 1579 B12R2.612 Cc1ccc2c(c1)COC2=O TS07420 [0,1,0,1,0,0|1,0,0]=3 1580 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 TS89827 [0,1,0,1,0,0|0,0,0]=2 1581 B12R2.612 c1cc2c(cc1Br)CCC2=O TS71462 [0,1,0,1,0,0|2,0,0]=4 1582 B12R2.612 c1cc2c(cc1Br)CNC2=O TS16971 [0,1,0,1,0,0|2,0,0]=4 1583 B12R2.612 c1cc2c(cc1Br)COC2=O TS03244 [0,1,0,1,0,0|1,0,0]=3 1584 B12R2.612 c1cc2c(cc1Cl)CCC2=O TS09822 [0,1,0,1,0,0|2,0,0]=4 1585 B12R2.612 c1cc2c(cc1Cl)CNC2=O TS43277 [0,1,0,1,0,0|2,0,0]=4 1586 B12R2.612 c1cc2c(cc1Cl)COC2=O TS44932 [0,1,0,1,0,0|1,0,0]=3 1587 B12R2.612 c1cc2c(cc1F)CCC2=O TS71530 [0,1,0,1,0,0|2,0,0]=4 1588 B12R2.612 c1cc2c(cc1F)COC2=O TS41090 [0,1,0,1,0,0|1,0,0]=3 1589 B12R2.612 c1cc2c(cc1I)CCC2=O TS68075 [0,1,0,1,0,0|2,0,0]=4 1590 B12R2.612 c1cc2c(cc1I)COC2=O TS29408 [0,1,0,1,0,0|1,0,0]=3 1591 B12R2.612 c1cc2c(cc1N)CCC2=O TS71374 [0,1,0,1,0,0|2,0,0]=4 1592 B12R2.612 c1cc2c(cc1N)CNC2=O TS59906 [0,1,0,1,0,0|2,0,0]=4 1593 B12R2.612 c1cc2c(cc1N)COC2=O TS40734 [0,1,0,1,0,0|1,0,0]=3 1594 B12R2.612 c1cc2c(cc1O)CCC2=O TS71567 [0,1,0,1,0,0|2,0,0]=4 1595 B12R2.612 c1cc2c(cc1O)COC2=O TS07650 [0,1,0,1,0,0|1,0,0]=3 1596 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 TS55624 [0,1,0,1,0,0|2,0,0]=4 1597 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 TS55541 [0,1,0,1,0,0|2,0,0]=4 1598 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 TS90453 [0,1,0,1,0,0|2,0,0]=4 1599 B12R2.132 c1cc2c(cc1Br)C(=O)OC2 TS59731 [0,1,0,1,0,0|1,0,0]=3 1600 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 TS55566 [0,1,0,1,0,0|2,0,0]=4 1601 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 TS43274 [0,1,0,1,0,0|2,0,0]=4 1602 B12R2.132 c1cc2c(cc1Cl)C(=O)OC2 TS44936 [0,1,0,1,0,0|1,0,0]=3 1603 B12R2.132 c1cc2c(cc1F)C(=O)CC2 TS01223 [0,1,0,1,0,0|2,0,0]=4 1604 B12R2.132 c1cc2c(cc1F)C(=O)OC2 TS41094 [0,1,0,1,0,0|1,0,0]=3 1605 B12R2.132 c1cc2c(cc1I)C(=O)CC2 TS01244 [0,1,0,1,0,0|2,0,0]=4 1606 B12R2.132 c1cc2c(cc1I)C(=O)OC2 TS59736 [0,1,0,1,0,0|1,0,0]=3 1607 B12R2.132 c1cc2c(cc1N)C(=O)CC2 TS01205 [0,1,0,1,0,0|2,0,0]=4 1608 B12R2.132 c1cc2c(cc1N)C(=O)NC2 TS91611 [0,1,0,1,0,0|2,0,0]=4 1609 B12R2.132 c1cc2c(cc1N)C(=O)OC2 TS01209 [0,1,0,1,0,0|1,0,0]=3 1610 B12R2.132 c1cc2c(cc1O)C(=O)CC2 TS55597 [0,1,0,1,0,0|2,0,0]=4 1611 B12R2.132 c1cc2c(cc1O)C(=O)NC2 TS40732 [0,1,0,1,0,0|2,0,0]=4 1612 B12R2.196 Cc1cccc2c1CCC2=O TS71227 [0,1,0,1,0,0|2,0,0]=4 1613 B12R2.196 c1cc2c(c(c1)Br)CCC2=O TS70950 [0,1,0,1,0,0|2,0,0]=4 1614 B12R2.196 c1cc2c(c(c1)Br)CNC2=O TS29437 [0,1,0,1,0,0|2,0,0]=4 1615 B12R2.196 c1cc2c(c(c1)Br)COC2=O TS16927 [0,1,0,1,0,0|1,0,0]=3 1616 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O TS03034 [0,1,0,1,0,0|2,0,0]=4 1617 B12R2.196 c1cc2c(c(c1)Cl)COC2=O TS44933 [0,1,0,1,0,0|1,0,0]=3 1618 B12R2.196 c1cc2c(c(c1)F)CCC2=O TS71114 [0,1,0,1,0,0|2,0,0]=4 1619 B12R2.196 c1cc2c(c(c1)I)CCC2=O TS00568 [0,1,0,1,0,0|2,0,0]=4 1620 B12R2.196 c1cc2c(c(c1)N)CCC2=O TS07324 [0,1,0,1,0,0|2,0,0]=4 1621 B12R2.196 c1cc2c(c(c1)N)CNC2=O TS86640 [0,1,0,1,0,0|2,0,0]=4 1622 B12R2.196 c1cc2c(c(c1)N)COC2=O TS40730 [0,1,0,1,0,0|1,0,0]=3 1623 B12R2.196 c1cc2c(c(c1)O)CCC2=O TS71172 [0,1,0,1,0,0|2,0,0]=4 1624 B12R2.203 Cc1cccc2c1C(=O)CC2 TS07220 [0,1,0,1,0,0|2,0,0]=4 1625 B12R2.203 Cc1cccc2c1C(=O)OC2 TS55693 [0,1,0,1,0,0|1,0,0]=3 1626 B12R2.203 c1cc2c(c(c1)Br)C(=O)CC2 TS16489 [0,1,0,1,0,0|2,0,0]=4 1627 B12R2.203 c1cc2c(c(c1)Br)C(=O)NC2 TS21237 [0,1,0,1,0,0|2,0,0]=4 1628 B12R2.203 c1cc2c(c(c1)Cl)C(=O)CC2 TS12305 [0,1,0,1,0,0|2,0,0]=4 1629 B12R2.203 c1cc2c(c(c1)Cl)C(=O)OC2 TS16508 [0,1,0,1,0,0|1,0,0]=3 1630 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 TS16516 [0,1,0,1,0,0|2,0,0]=4 1631 B12R2.203 c1cc2c(c(c1)I)C(=O)CC2 TS00569 [0,1,0,1,0,0|2,0,0]=4 1632 B12R2.203 c1cc2c(c(c1)N)C(=O)CC2 TS40530 [0,1,0,1,0,0|2,0,0]=4 1633 B12R2.203 c1cc2c(c(c1)N)C(=O)NC2 TS91610 [0,1,0,1,0,0|2,0,0]=4 1634 B12R2.203 c1cc2c(c(c1)N)C(=O)OC2 TS40724 [0,1,0,1,0,0|1,0,0]=3 1635 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 TS85148 [0,1,0,1,0,0|2,0,0]=4 1636 B8R1.7 C1C(=NC=N1)C(=O)O TS04278 [1,0,0,0,1,0|1,0,1]=4 1637 B8R1.7 CC(=C)c1nccs1 TS05103 [1,0,0,0,1,0|2,0,0]=4 1638 B8R1.7 CC(=O)[c-]1cccc1 TS30755 [1,0,0,0,1,0|0,0,1]=3 1639 B8R1.7 CC(=O)c1[nH]ccn1 TS31817 [1,0,0,0,1,0|1,0,0]=3 1640 B8R1.7 CC(=O)c1c[nH]cn1 TS02951 [1,0,0,0,1,0|1,0,0]=3 1641 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [1,0,0,0,1,0|0,0,1]=3 1642 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [1,0,0,0,1,0|0,0,1]=3 1643 B8R1.7 CC(=O)c1ccco1 TS04188 [1,0,0,0,1,0|1,0,0]=3 1644 B8R1.7 CC(=O)c1cccs1 TS08262 [1,0,0,0,1,0|1,0,0]=3 1645 B8R1.7 CC(=O)c1ccn[nH]1 TS07280 [1,0,0,0,1,0|1,0,0]=3 1646 B8R1.7 CC(=O)c1ccns1 TS05261 [1,0,0,0,1,0|1,0,0]=3 1647 B8R1.7 CC(=O)c1ccsc1 TS65833 [1,0,0,0,1,0|1,0,0]=3 1648 B8R1.7 CC(=O)c1cncs1 TS46736 [1,0,0,0,1,0|1,0,0]=3 1649 B8R1.7 CC(=O)c1cnns1 TS05327 [1,0,0,0,1,0|2,0,0]=4 1650 B8R1.7 CC(=O)c1nccs1 TS08261 [1,0,0,0,1,0|1,0,0]=3 1651 B8R1.7 CC(=O)n1cccn1 TS04194 [1,0,0,0,1,0|1,0,0]=3 1652 B8R1.7 CC(=O)n1ccnc1 TS93594 [1,0,0,0,1,0|1,0,0]=3 1653 B8R1.7 c1[nH]nc(n1)C(=O)O TS46767 [1,0,0,0,1,0|2,0,0]=4 1654 B8R1.7 c1c(cn[nH]1)C(=O)O TS00455 [1,0,0,0,1,0|1,0,0]=3 1655 B8R1.7 c1c(con1)C(=O)O TS56204 [1,0,0,0,1,0|1,0,0]=3 1656 B8R1.7 c1c(nc[nH]1)C(=O)N TS93616 [1,0,0,0,1,0|2,0,0]=4 1657 B8R1.7 c1c(nc[nH]1)C(=O)O TS46950 [1,0,0,0,1,0|1,0,0]=3 1658 B8R1.7 c1c(nco1)C(=O)O TS00378 [1,0,0,0,1,0|1,0,0]=3 1659 B8R1.7 c1c(ncs1)C(=O)N TS01722 [1,0,0,0,1,0|2,0,0]=4 1660 B8R1.7 c1c(nn[nH]1)C(=O)O TS32000 [1,0,0,0,1,0|2,0,0]=4 1661 B8R1.7 c1c(nns1)C(=O)O TS59879 [1,0,0,0,1,0|2,0,0]=4 1662 B8R1.7 c1c(non1)C(=O)O TS59880 [1,0,0,0,1,0|2,0,0]=4 1663 B8R1.7 c1c(nsn1)C(=O)O TS46770 [1,0,0,0,1,0|2,0,0]=4 1664 B8R1.7 c1c(ocn1)C(=O)N TS04275 [1,0,0,0,1,0|2,0,0]=4 1665 B8R1.7 c1c(ocn1)C(=O)O TS01173 [1,0,0,0,1,0|1,0,0]=3 1666 B8R1.7 c1c[nH]nc1C(=O)N TS00453 [1,0,0,0,1,0|2,0,0]=4 1667 B8R1.7 c1c[nH]nc1C(=O)O TS87268 [1,0,0,0,1,0|1,0,0]=3 1668 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [1,0,0,0,1,0|1,0,1]=4 1669 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [1,0,0,0,1,0|0,0,1]=3 1670 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [1,0,0,0,1,0|2,0,0]=4 1671 B8R1.7 c1cc(oc1)C(=O)N TS04237 [1,0,0,0,1,0|2,0,0]=4 1672 B8R1.7 c1cc(oc1)C(=O)O TS04269 [1,0,0,0,1,0|1,0,0]=3 1673 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [1,0,0,0,1,0|2,0,0]=4 1674 B8R1.7 c1cc(sc1)C(=O)N TS05268 [1,0,0,0,1,0|2,0,0]=4 1675 B8R1.7 c1cc(sc1)C(=O)O TS59443 [1,0,0,0,1,0|1,0,0]=3 1676 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [1,0,0,0,1,0|1,0,1]=4 1677 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [1,0,0,0,1,0|1,0,1]=4 1678 B8R1.7 c1cc[c-](c1)C(=O)O TS24808 [1,0,0,0,1,0|0,0,1]=3 1679 B8R1.7 c1cnc([nH]1)C(=O)O TS46948 [1,0,0,0,1,0|1,0,0]=3 1680 B8R1.7 c1cnoc1C(=O)Cl TS56205 [1,0,0,0,1,0|2,0,0]=4 1681 B8R1.7 c1cnoc1C(=O)N TS04271 [1,0,0,0,1,0|2,0,0]=4 1682 B8R1.7 c1cnsc1C(=O)O TS05447 [1,0,0,0,1,0|1,0,0]=3 1683 B8R1.7 c1coc(n1)C(=O)N TS04277 [1,0,0,0,1,0|2,0,0]=4 1684 B8R1.7 c1coc(n1)C(=O)O TS39923 [1,0,0,0,1,0|1,0,0]=3 1685 B8R1.7 c1cocc1C(=O)Cl TS36565 [1,0,0,0,1,0|2,0,0]=4 1686 B8R1.7 c1cocc1C(=O)O TS02783 [1,0,0,0,1,0|1,0,0]=3 1687 B8R1.7 c1cocc1C(=O)O TS13775 [1,0,0,0,1,0|1,0,0]=3 1688 B8R1.7 c1conc1C(=O)O TS00353 [1,0,0,0,1,0|1,0,0]=3 1689 B8R1.7 c1csc(n1)C(=O)O TS05448 [1,0,0,0,1,0|1,0,0]=3 1690 B8R1.7 c1csc(n1)C(=O)O TS85376 [1,0,0,0,1,0|1,0,0]=3 1691 B8R1.7 c1cscc1C(=O)Cl TS22828 [1,0,0,0,1,0|2,0,0]=4 1692 B8R1.7 c1cscc1C(=O)O TS59444 [1,0,0,0,1,0|1,0,0]=3 1693 B8R1.7 c1csnc1C(=O)O TS91622 [1,0,0,0,1,0|1,0,0]=3 1694 B8R1.8 COCc1[nH]ccn1 TS88224 [1,0,0,0,1,0|1,0,1]=4 1695 B8R1.8 COCc1ccco1 TS31900 [1,0,0,0,1,0|1,0,1]=4 1696 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [0,0,0,0,0,2|2,0,0]=4 1697 B12R1.27 CCC(=O)NNc1ccccc1 TS42777 [0,0,0,0,0,2|2,0,0]=4 1698 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [0,0,0,0,0,2|2,0,0]=4 1699 B12R1.27 COC(=O)C#Cc1ccccc1 TS42134 [0,0,0,0,0,2|1,0,0]=3 1700 B12R1.27 COC(=O)C=Cc1ccccc1 TS42433 [0,0,0,0,0,2|1,0,0]=3 1701 B12R1.27 COC(=O)C=Cc1ccncc1 TS11686 [0,0,0,0,0,2|2,0,0]=4 1702 B12R1.27 COC(=O)C=Cc1cncnc1 TS42707 [0,0,0,0,0,2|1,0,0]=3 1703 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [0,0,0,0,0,2|1,0,0]=3 1704 B12R1.27 COC(=O)CCc1ccncc1 TS12012 [0,0,0,0,0,2|2,0,0]=4 1705 B12R1.27 COC(=O)COc1ccccc1 TS12178 [0,0,0,0,0,2|1,0,0]=3 1706 B12R1.27 COC(=O)CSc1ccccc1 TS15002 [0,0,0,0,0,2|1,0,0]=3 1707 B12R1.27 c1cc(cnc1)CCC(=O)NN TS12042 [0,0,0,0,0,2|2,0,0]=4 1708 B12R1.27 c1ccc(cc1)OCC(=O)OBr TS53117 [0,0,0,0,0,2|2,0,0]=4