0 B12R1.32 CCOC(=O)CC1=CC=CC=C1 1902606 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.32 COCC(=O)NC1=CC=CC=C1 5441566 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 1179087 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 1194691 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.32 O=C(CCS)NC1=CC=CC=C1 1864080 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.28 CCNCCC1=CC=NC=C1 7020420400 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 ClCC\C=C\C1=CC=CC=C1 1780230 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.28 NCCCCC1=CC=CC=C1 1038738 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.28 NCC\C=C\C1=CC=CC=C1 1366782 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.28 OCCNCC1=CC=CC=C1 11774163 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.28 OCCNCC1=CC=CC=C1 7116010885 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.40 CC(CN)CC1=CC=CC=C1 1048249 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.40 COC(=O)CC1=CC=CC=C1 1902120 [1,0,0,0,0,0|0,0,0]=1 13 B11R1.40 NC(CO)CC1=CC=CC=C1 7020694207 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.40 NCC(=O)NC1=CC=CC=C1 7020432301 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.40 N\C(CC1=CC=CC=C1)=N/O 5011248 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.40 O=C(CCl)NC1=CC=CC=C1 1195629 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.40 O=C(CCl)NC1=NC=CC=C1 1194680 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.40 O=C(CO)NC1=CC=CC=C1 1015594 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.40 O=C(CS)NC1=CC=CC=C1 7414270001 [1,0,0,0,0,0|2,0,0]=3 20 B13R1.19 CC1=CC=C(NC(=O)CCCl)C=C1 1195668 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.19 CCCC(=O)NC1=CC=C(O)C=C1 0104820604 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.19 COCC(=O)NC1=CC=C(O)C=C1 2472614 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.44 CN(CCCN)CC1=CC=CC=C1 7020210319 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.44 NCCCC(=O)NC1=CC=CC=C1 7020693769 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.44 NCCNC(=O)NC1=CC=CC=C1 12483291 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 2848234 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.348 CS(C)=CC(=O)CC1=CC=CC=C1 3463892 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.470 CCCC(=O)NC1=CC=CC=C1O 0104820602 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.470 O=C(CCCl)NC1=CC=CC=C1O 1899357 [0,1,0,0,0,0|3,0,0]=4 30 B13R2.15 O=C1CCNC1C2=CC=CC=C2 4053098 [0,0,0,1,0,0|2,0,0]=3 31 B13R2.26 CCSC1=NC2=CC=CC=C2N1 7016000491 [0,0,0,1,0,0|2,1,0]=4 32 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 1043188 [0,0,0,1,0,0|2,0,1]=4 33 B13R2.135 CCN1C(=O)OC2=CC=CC=C21 1284655 [0,0,0,1,0,0|2,0,0]=3 34 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 7577009 [0,0,0,1,0,0|2,0,0]=3 35 B13R2.163 O=C1CCCC2=CC=CC=C2N1 1392632 [0,0,0,1,0,0|2,0,0]=3 36 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 2832707 [0,0,0,1,0,0|2,0,1]=4 37 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 2849134 [0,0,0,0,0,1|0,0,0]=1 38 B13R1.42 CCOC(=O)COC1=CC=CC=C1 2849583 [0,0,0,0,0,1|0,0,0]=1 39 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 22430693 [0,0,0,0,0,1|0,0,1]=2 40 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 5916708 [0,0,0,0,0,1|1,0,1]=3 41 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 0109770762 [0,0,0,0,0,1|2,0,1]=4 42 B10R1.17 BrCCCC1=CC=CC=C1 1275152 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.17 CCCCC1=CC=CC=C1 2827024 [2,0,0,0,0,0|0,0,1]=3 44 B10R1.17 CCNCC1=CC=CC=C1 1366645 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.17 ClC\C=C\C1=CC=CC=C1 5970146 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.18 CC(=O)NC1=CC=CC=C1 0118671148 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.18 CC(=O)OC1=CC=CC=C1 5970182 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.18 CN(C)CC1=CC=CC=C1 2827061 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.18 NC(=O)NC1=CC=CC=C1 1778870 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.18 NC(=S)CC1=CC=CC=C1 7018890438 [2,0,0,0,0,0|1,1,0]=4 51 B10R1.18 O=C(Cl)CC1=CC=CC=C1 1051728 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.18 O=C(O)CC1=CC=CC=C1 1500423 [2,0,0,0,0,0|0,0,0]=2 53 B12R1.8 CCCCCCC1=CC=CC=C1 2832668 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 7020290661 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 1782314 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 3644543 [1,1,0,0,0,0|0,0,0]=2 57 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 2285152 [1,1,0,0,0,0|0,0,0]=2 58 B12R1.43 CC(Br)C(=O)NC1=CC=CC=C1 1897922 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.43 CC(C)C(O)CC1=CC=CC=C1 1367215 [1,1,0,0,0,0|0,0,2]=4 60 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 0133160093 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.49 CC1=CC=C(NC(=O)CO)C=C1 1015597 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.49 CC1=CC=C(NC(=O)CS)C=C1 7414270004 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.49 CC1=CC=C(OC(=O)CN)C=C1 1902649 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 0104820394 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 2318624 [1,1,0,0,0,0|0,0,0]=2 66 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=C1 1195628 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 0133160100 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 0115030421 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.49 O=C(CCl)NC1=CC=C(I)C=C1 4802721 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.49 O=C(CO)NC1=CC=C(F)C=C1 1015636 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.49 O=C(CS)NC1=CC=C(Br)C=C1 7414270017 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.49 O=C(CS)NC1=CC=C(F)C=C1 7414270021 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.50 CC1=CC(NC(=O)CCl)=CC=C1 1195627 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.50 CC1=CC(OC(=O)CN)=CC=C1 1902648 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.50 CC1=CC=CC(NC(=O)CN)=C1 7020691551 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.50 CC1=CC=CC(NC(=O)CO)=C1 1015596 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.50 CC1=CC=CC(NC(=O)CS)=C1 7414270003 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.50 CCC(=O)NC1=CC=CC(O)=C1 0104820393 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.50 O=C(CCl)NC1=CC(Cl)=CC=C1 1895474 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.50 O=C(CCl)NC1=CC=CC(Br)=C1 7020410099 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.50 O=C(CO)NC1=CC(Cl)=CC=C1 1015638 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.371 CC1=CC=CC=C1NC(=O)CCl 1195626 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.371 CC1=CC=CC=C1OC(=O)CN 1902647 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 1902607 [1,1,0,0,0,0|0,0,0]=2 85 B12R1.371 COC(=O)CC1=C(F)C=CC=C1 1902759 [1,1,0,0,0,0|0,0,0]=2 86 B12R1.371 O=C(CCl)NC1=C(Cl)C=CC=C1 1195624 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.371 O=C(CCl)NC1=C(F)C=CC=C1 1102825 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.371 O=C(CCl)NC1=CC=CC=C1Br 1195637 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.371 O=C(CCl)NC1=CC=CC=C1O 1894453 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.16 CCCC(=O)C1=CC=C(Cl)C=C1 1313072 [0,1,0,0,1,0|1,0,0]=3 91 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 1312993 [0,1,0,0,1,0|1,0,0]=3 92 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 2132107 [0,1,0,0,1,0|0,0,0]=2 93 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 1556375 [0,1,0,0,1,0|0,0,0]=2 94 B12R1.16 CCOC(=O)C1=NC=C(C)N=C1 2833381 [0,1,0,0,1,0|2,0,0]=4 95 B12R1.16 CCOC(=O)C1=NNC(=O)C=C1 7020649725 [0,1,0,0,1,0|2,0,0]=4 96 B12R1.16 O=C(CCBr)C1=CC=C(Br)C=C1 2014884 [0,1,0,0,1,0|2,0,0]=4 97 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 3672897 [0,1,0,0,1,0|1,0,0]=3 98 B12R1.17 CCOC(=O)C1=CC=CC(O)=C1 973252 [0,1,0,0,1,0|0,0,0]=2 99 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 1902541 [0,1,0,0,1,0|1,0,1]=4 100 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 1367105 [0,1,0,0,1,0|1,0,0]=3 101 B12R1.308 CCCC(=O)C1=C(F)C=CC=C1 1505986 [0,1,0,0,1,0|1,0,0]=3 102 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 2832924 [0,1,0,0,1,0|0,0,0]=2 103 B12R1.308 CCOC(=O)C1=C(N)C=CC=C1 1867347 [0,1,0,0,1,0|0,0,0]=2 104 B12R1.308 CCOC(=O)C1=CC=CN=C1N 7020542808 [0,1,0,0,1,0|1,0,0]=3 105 B12R1.308 CCOC(=O)C1=CC=NN=C1C 10355373 [0,1,0,0,1,0|2,0,0]=4 106 B12R1.31 CCOC(=O)CC1=CSC(C)=N1 2927705 [0,1,0,0,1,0|2,0,0]=4 107 B12R1.31 CCOC(=O)CC1=CSC(N)=N1 1232807 [0,1,0,0,1,0|2,0,0]=4 108 B12R1.31 CCOC(=O)CC1=NC(O)=CS1 7012670938 [0,1,0,0,1,0|2,0,0]=4 109 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 1784001 [0,1,0,0,0,1|0,0,0]=2 110 B14R1.156 N#CCNC(=O)OCC1=CC=CC=C1 5012518 [0,1,0,0,0,1|1,0,1]=4 111 B14R1.156 [NH3+]CCCC(=O)OCC1=CC=CC=C1 15298756 [0,1,0,0,0,1|1,0,0]=3 112 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 3028978 [0,1,0,0,0,1|0,0,0]=2 113 B14R1.502 CCOC(=O)COC1=CC=C(Cl)C=C1 3010004 [0,1,0,0,0,1|0,0,0]=2 114 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)N=C1 6850297 [0,1,0,0,0,1|1,0,1]=4 115 B14R1.756 CON(C)C(=O)COC1=CC=CC=C1 5421997 [0,1,0,0,0,1|2,0,0]=4 116 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 2957297 [0,1,0,0,0,1|1,0,1]=4 117 B14R1.33 CC1=CC=C(NC(=O)CCCN)C=C1 7020693772 [0,2,0,0,0,0|2,0,0]=4 118 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 1655056 [0,2,0,0,0,0|0,0,1]=3 119 B14R1.35 CCOC(=O)C(=O)C1=CC=C(F)C=C1 1785334 [0,2,0,0,0,0|0,0,1]=3 120 B14R1.35 CCOC(=O)C(O)C1=CC=C(Br)C=C1 5096935 [0,2,0,0,0,0|0,0,0]=2 121 B14R1.698 CC(C)CC(=O)NC1=CC=C(O)C=C1 1015286 [0,2,0,0,0,0|2,0,0]=4 122 B14R1.6823 CCOC(=O)CC1=CN=C(S)N=C1O 10568500 [0,2,0,0,0,0|2,0,0]=4 123 B14R1.6823 CCOC(=O)CC1=CN=C(S)NC1=O 5980095 [0,2,0,0,0,0|2,0,0]=4 124 B14R1.962 CCCC(=O)OC1=CC(C=O)=CC=C1 1339360 [0,2,0,0,0,0|2,0,0]=4 125 B14R1.158 O=C(CCCCBr)NC1=CC=CC=C1 1818821 [0,2,0,0,0,0|2,0,0]=4 126 B14R1.946 O=C(CCCCl)NC1=C(Cl)C=CC=C1 1194703 [0,2,0,0,0,0|2,0,0]=4 127 B14R1.417 CC(C)NC(=O)[C@@H](N)C1=CC=CC=C1 7020693095 [0,2,0,0,0,0|1,0,0]=3 128 B14R1.604 CCOC(=O)C(C#N)C1=CC=CC=C1 1904539 [0,2,0,0,0,0|0,0,0]=2 129 B14R1.1007 CCC(Br)C(=O)NC1=CC=CC=C1O 3354098 [0,2,0,0,0,0|2,0,0]=4 130 B14R1.337 CC(C)CC(=O)NC1=C(O)C=CC=C1 1015284 [0,2,0,0,0,0|2,0,0]=4 131 B12R2.2 C1=CC=C(C2CCCN2)C=C1 1187958 [1,0,0,1,0,0|2,0,0]=4 132 B12R2.18 CC1C(=O)NC2=C1C=CC=C2 4247509 [1,0,0,1,0,0|1,0,0]=3 133 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 1435637 [1,0,0,1,0,0|2,0,0]=4 134 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 6850887 [1,0,0,1,0,0|2,0,0]=4 135 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 2819843 [1,0,0,1,0,0|1,0,0]=3 136 B12R2.24 O=C1CCC2=CC=CC=C2N1 1655132 [1,0,0,1,0,0|1,0,0]=3 137 B12R2.24 O=C1CNC2=CC=CC=C2N1 0111910003 [1,0,0,1,0,0|2,0,0]=4 138 B12R2.24 O=C1COC2=CC=CC=C2N1 7020041238 [1,0,0,1,0,0|2,0,0]=4 139 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 7119930006 [1,0,0,1,0,0|2,0,0]=4 140 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 2828876 [0,0,0,1,1,0|1,0,1]=4 141 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 1041752 [0,0,0,1,1,0|1,0,0]=3 142 B14R2.926 NC1=CC=C(N2CCCC2=O)C=C1 1562744 [0,1,0,1,0,0|2,0,0]=4 143 B14R2.926 NC1=CC=C(N2CCOC2=O)C=C1 1500166 [0,1,0,1,0,0|1,0,0]=3 144 B14R2.949 O=C(NC1=CC=C(I)C=C1)C2CC2 7113706337 [0,1,0,1,0,0|2,0,0]=4 145 B14R2.269 NC1=CC=CC(N2CCCC2=O)=C1 15298261 [0,1,0,1,0,0|2,0,0]=4 146 B14R2.269 NC1=CC=CC(N2CCCC2=O)=C1 1558594 [0,1,0,1,0,0|2,0,0]=4 147 B14R2.380 O=C1CCCC2=CC=C(Cl)C=C2N1 2049533 [0,1,0,1,0,0|2,0,0]=4 148 B14R2.24 O=C1CNCCN1C2=CC=CC=C2 1310642 [0,1,0,1,0,0|2,0,0]=4 149 B14R2.24 O=C1NCCSC1C2=CC=CC=C2 7216640552 [0,1,0,1,0,0|1,0,0]=3 150 B14R2.517 NCCN1C(=O)NC2=CC=CC=C21 1183208 [0,1,0,1,0,0|2,0,0]=4 151 B14R2.1128 CCC1=CC2=CC=CC=C2NC1=O 22430484 [0,1,0,1,0,0|2,0,0]=4 152 B14R2.1128 CCC1OC2=CC=CC=C2NC1=O 1182339 [0,1,0,1,0,0|2,0,0]=4 153 B14R2.642 CC(C)C1C(=O)NC2=CC=CC=C21 1780966 [0,1,0,1,0,0|2,0,0]=4 154 B14R2.738 CC1CC(=O)NC2=C(C=CC=C2)N1 1056568 [0,1,0,1,0,0|2,0,0]=4 155 B14R2.296 NC1=C(N2CCCC2=O)C=CC=C1 2213775 [0,1,0,1,0,0|2,0,0]=4 156 B10R1.15 CCC(=O)C1=CC=CC=C1 1043816 [1,0,0,0,1,0|0,0,0]=2 157 B10R1.15 CCC(C)C1=CC=CC=C1 2827022 [1,0,0,0,1,0|1,0,1]=4 158 B10R1.15 CCC(N)C1=CC=CC=C1 1146635 [1,0,0,0,1,0|1,0,1]=4 159 B10R1.15 CNC(=O)C1=CC=CC=C1 5032223 [1,0,0,0,1,0|1,0,0]=3 160 B10R1.15 COC(=O)C1=CC=CC=C1 2132029 [1,0,0,0,1,0|0,0,0]=2 161 B10R1.15 COC(=O)C1=CC=NC=C1 2084305 [1,0,0,0,1,0|1,0,0]=3 162 B10R1.15 COC(=O)C1=NC=CC=C1 1311479 [1,0,0,0,1,0|1,0,0]=3 163 B10R1.15 CSC(=N)C1=CC=CC=C1 22430530 [1,0,0,0,1,0|1,1,0]=4 164 B10R1.15 NCC(=O)C1=CC=CC=C1 1042947 [1,0,0,0,1,0|1,0,0]=3 165 B10R1.15 NNC(=O)C1=CC=CC=C1 1778868 [1,0,0,0,1,0|2,0,0]=4 166 B10R1.15 O=C(CBr)C1=CC=CC=C1 2125402 [1,0,0,0,1,0|1,0,0]=3 167 B10R1.15 O=C(CBr)C1=CC=NC=C1 5980437 [1,0,0,0,1,0|2,0,0]=4 168 B10R1.15 O=C(CBr)C1=CN=CC=C1 4763913 [1,0,0,0,1,0|2,0,0]=4 169 B10R1.15 O=CC(=O)C1=CC=CC=C1 2826987 [1,0,0,0,1,0|1,0,1]=4 170 B10R1.27 COC(=O)CC1=CC=CS1 1973364 [1,0,0,0,1,0|1,0,0]=3 171 B10R1.27 COC(=O)CC1=NNC=C1 6051772 [1,0,0,0,1,0|2,0,0]=4 172 B10R1.11 CCOC(=O)C1=CSC=N1 2821504 [0,0,0,0,2,0|2,0,0]=4 173 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 1864119 [0,0,0,0,0,2|0,0,0]=2 174 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 2852467 [0,0,0,0,0,2|0,0,0]=2