0 B6R1.2 C1=NC(=O)N=C1 AB01798 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 C1C=C(CO1)I AB84905 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 C1C=C(N=N1)Br AB68518 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 C1C=C(N=N1)Br CB10536 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 C1C=C(N=N1)I PB15017 [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 C1C=C(N=N1)N PB32063 [0,0,0,0,0,0|3,0,1]=4 6 B6R1.2 C1C=CCC1N CB10532 [0,0,0,0,0,0|1,0,3]=4 7 B6R1.2 C1C=NC(=N1)Br AB11316 [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 C1C=NC(=N1)Cl AB11323 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 C1C=NC(=N1)I AB04195 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 C1C=NC(=N1)N AB07116 [0,0,0,0,0,0|3,0,1]=4 11 B6R1.2 C1C=NC(=N1)N AB29274 [0,0,0,0,0,0|3,0,1]=4 12 B6R1.2 C1C=NC(=N1)O AB52896 [0,0,0,0,0,0|2,0,2]=4 13 B6R1.2 C1C=NC(=N1)S AB00386 [0,0,0,0,0,0|2,1,1]=4 14 B6R1.2 C1CNCC1=O PB21807 [0,0,0,0,0,0|1,0,0]=1 15 B6R1.2 C1CNCC1F AB27153 [0,0,0,0,0,0|2,0,1]=3 16 B6R1.2 C1CNCC1F PB27633 [0,0,0,0,0,0|2,0,1]=3 17 B6R1.2 C1CNCC1O PB24775 [0,0,0,0,0,0|1,0,2]=3 18 B6R1.2 C1CNC[C@@H]1F AB27158 [0,0,0,0,0,0|2,0,1]=3 19 B6R1.2 C1CNC[C@@H]1F PB23386 [0,0,0,0,0,0|2,0,1]=3 20 B6R1.2 C1CNC[C@@H]1N AB02820 [0,0,0,0,0,0|2,0,1]=3 21 B6R1.2 C1CNC[C@@H]1O PB17129 [0,0,0,0,0,0|1,0,2]=3 22 B6R1.2 C1CNC[C@@H]1O PB18456 [0,0,0,0,0,0|1,0,2]=3 23 B6R1.2 C1CNC[C@H]1F AB27154 [0,0,0,0,0,0|2,0,1]=3 24 B6R1.2 C1CNC[C@H]1F PB20102 [0,0,0,0,0,0|2,0,1]=3 25 B6R1.2 C1CNC[C@H]1N AB02823 [0,0,0,0,0,0|2,0,1]=3 26 B6R1.2 C1CNC[C@H]1O PB30638 [0,0,0,0,0,0|1,0,2]=3 27 B6R1.2 C1CNC[C@H]1O PB32171 [0,0,0,0,0,0|1,0,2]=3 28 B6R1.2 C1COCC1=O PB17440 [0,0,0,0,0,0|1,0,0]=1 29 B6R1.2 C1COCC1Br PB20333 [0,0,0,0,0,0|2,0,1]=3 30 B6R1.2 C1COCC1I PB14773 [0,0,0,0,0,0|2,0,1]=3 31 B6R1.2 C1COCC1N PB27801 [0,0,0,0,0,0|2,0,1]=3 32 B6R1.2 C1COCC1O PB24525 [0,0,0,0,0,0|1,0,2]=3 33 B6R1.2 C1COC[C@@H]1I PB34863 [0,0,0,0,0,0|2,0,1]=3 34 B6R1.2 C1COC[C@@H]1N PB10514 [0,0,0,0,0,0|2,0,1]=3 35 B6R1.2 C1COC[C@@H]1O PB17096 [0,0,0,0,0,0|1,0,2]=3 36 B6R1.2 C1COC[C@H]1I PB22839 [0,0,0,0,0,0|2,0,1]=3 37 B6R1.2 C1COC[C@H]1N PB18852 [0,0,0,0,0,0|2,0,1]=3 38 B6R1.2 C1COC[C@H]1O PB25950 [0,0,0,0,0,0|1,0,2]=3 39 B6R1.2 C1CONC1=O MB10654 [0,0,0,0,0,0|2,0,0]=2 40 B6R1.2 CC1=CCCO1 AB00300 [0,0,0,0,0,0|2,0,1]=3 41 B6R1.2 CC1=CN=CC1 PB12076 [0,0,0,0,0,0|2,0,2]=4 42 B6R1.2 CC1=CN=NC1 AB00390 [0,0,0,0,0,0|3,0,1]=4 43 B6R1.2 CC1=NC=CC1 AB12705 [0,0,0,0,0,0|2,0,2]=4 44 B6R1.2 CC1=NN=NC1 AB70603 [0,0,0,0,0,0|4,0,0]=4 45 B6R1.2 CC1CCCN1 AB44503 [0,0,0,0,0,0|2,0,1]=3 46 B6R1.2 CC1CCNC1 AB41901 [0,0,0,0,0,0|2,0,1]=3 47 B6R1.2 C[C@@H]1CCCN1 AB29488 [0,0,0,0,0,0|2,0,1]=3 48 B6R1.2 C[C@@H]1CCCN1 AB42774 [0,0,0,0,0,0|2,0,1]=3 49 B6R1.2 C[C@@H]1CCNC1 AB29518 [0,0,0,0,0,0|2,0,1]=3 50 B6R1.2 C[C@H]1CCCN1 AB29489 [0,0,0,0,0,0|2,0,1]=3 51 B6R1.2 C[C@H]1CCNC1 AB29522 [0,0,0,0,0,0|2,0,1]=3 52 B5R1.1 C1C=NN=N1 AB01140 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.1 C#CC1CCOC1 PB28898 [0,1,0,0,0,0|2,0,1]=4 54 B7R1.1 C1C=C(C=N1)C=O AB15013 [0,1,0,0,0,0|1,0,2]=4 55 B7R1.1 C1C=C(N=N1)C=O AB25611 [0,1,0,0,0,0|2,0,1]=4 56 B7R1.1 C1C=CCC1C=O AB76805 [0,1,0,0,0,0|0,0,3]=4 57 B7R1.1 C1C=CN=C1C=O AB00388 [0,1,0,0,0,0|1,0,2]=4 58 B7R1.1 C1CC(NC1)C#N PB19916 [0,1,0,0,0,0|2,0,1]=4 59 B7R1.1 C1CC(OC1)CI AB24846 [0,1,0,0,0,0|2,0,1]=4 60 B7R1.1 C1CC(OC1)CN AB00408 [0,1,0,0,0,0|2,0,1]=4 61 B7R1.1 C1CC=C(C1)CBr PB30182 [0,1,0,0,0,0|1,0,1]=3 62 B7R1.1 C1CCC(C1)C=O AB02400 [0,1,0,0,0,0|0,0,1]=2 63 B7R1.1 C1CCC(C1)CBr AB50196 [0,1,0,0,0,0|1,0,1]=3 64 B7R1.1 C1CCC(C1)CI AB15507 [0,1,0,0,0,0|1,0,1]=3 65 B7R1.1 C1CCC(C1)CN AB17884 [0,1,0,0,0,0|1,0,1]=3 66 B7R1.1 C1CNCC1C#N PB12572 [0,1,0,0,0,0|2,0,1]=4 67 B7R1.1 C1CNCC1CO PB15896 [0,1,0,0,0,0|1,0,2]=4 68 B7R1.1 C1CNCC1CO PB31387 [0,1,0,0,0,0|1,0,2]=4 69 B7R1.1 C1CNC[C@@H]1C#N PB25426 [0,1,0,0,0,0|2,0,1]=4 70 B7R1.1 C1CNC[C@@H]1CO PB12644 [0,1,0,0,0,0|1,0,2]=4 71 B7R1.1 C1CNC[C@@H]1CO PB19010 [0,1,0,0,0,0|1,0,2]=4 72 B7R1.1 C1CNC[C@H]1C#N PB10931 [0,1,0,0,0,0|2,0,1]=4 73 B7R1.1 C1CNC[C@H]1CO PB31350 [0,1,0,0,0,0|1,0,2]=4 74 B7R1.1 C1CNC[C@H]1CO PB32765 [0,1,0,0,0,0|1,0,2]=4 75 B7R1.1 C1COCC1C#N PB22187 [0,1,0,0,0,0|2,0,1]=4 76 B7R1.1 C1COCC1CBr PB10518 [0,1,0,0,0,0|2,0,1]=4 77 B7R1.1 C1COCC1CCl MB04735 [0,1,0,0,0,0|2,0,1]=4 78 B7R1.1 C1COCC1CI PB23453 [0,1,0,0,0,0|2,0,1]=4 79 B7R1.1 C1COCC1CN PB10526 [0,1,0,0,0,0|2,0,1]=4 80 B7R1.1 C1COCC1CO PB30586 [0,1,0,0,0,0|1,0,2]=4 81 B7R1.1 C1COC[C@@H]1C#N PB19741 [0,1,0,0,0,0|2,0,1]=4 82 B7R1.1 C1COC[C@@H]1CN PB15453 [0,1,0,0,0,0|2,0,1]=4 83 B7R1.1 C1COC[C@@H]1CO PB30186 [0,1,0,0,0,0|1,0,2]=4 84 B7R1.1 C1COC[C@H]1C#N PB11493 [0,1,0,0,0,0|2,0,1]=4 85 B7R1.1 C1COC[C@H]1CN PB18204 [0,1,0,0,0,0|2,0,1]=4 86 B7R1.1 C1COC[C@H]1CO PB34870 [0,1,0,0,0,0|1,0,2]=4 87 B7R1.1 C1C[C@@H](NC1)C#N PB20041 [0,1,0,0,0,0|2,0,1]=4 88 B7R1.1 C1C[C@@H](NC1)C#N PB30023 [0,1,0,0,0,0|2,0,1]=4 89 B7R1.1 C1C[C@@H](NC1)CO PB21663 [0,1,0,0,0,0|1,0,2]=4 90 B7R1.1 C1C[C@H](NC1)C#N PB29383 [0,1,0,0,0,0|2,0,1]=4 91 B7R1.1 C1C[C@H](NC1)CF PB15907 [0,1,0,0,0,0|2,0,1]=4 92 B7R1.1 C1C[C@H](NC1)CN PB13488 [0,1,0,0,0,0|2,0,1]=4 93 B7R1.1 C1C[C@H](NC1)CO PB30520 [0,1,0,0,0,0|1,0,2]=4 94 B7R1.1 CCC1CCCN1 AB12042 [0,1,0,0,0,0|2,0,1]=4 95 B7R1.1 CCC1CCNC1 AB41905 [0,1,0,0,0,0|2,0,1]=4 96 B7R1.1 CC[C@@H]1CCNC1 AB74297 [0,1,0,0,0,0|2,0,1]=4 97 B7R1.1 CNC1CCOC1 PB17482 [0,1,0,0,0,0|2,0,1]=4 98 B7R1.1 CN[C@@H]1CCOC1 PB30485 [0,1,0,0,0,0|2,0,1]=4 99 B7R1.1 CN[C@H]1CCOC1 PB11771 [0,1,0,0,0,0|2,0,1]=4 100 B7R1.1 COC1CCNC1 PB31357 [0,1,0,0,0,0|1,0,2]=4 101 B7R1.1 CO[C@@H]1CCNC1 PB20659 [0,1,0,0,0,0|1,0,2]=4 102 B7R1.1 CO[C@@H]1CCNC1 PB26535 [0,1,0,0,0,0|1,0,2]=4 103 B7R1.1 CO[C@H]1CCNC1 PB10788 [0,1,0,0,0,0|1,0,2]=4 104 B7R1.2 C1C(=CC(=O)N1)Br CB11702 [0,1,0,0,0,0|1,0,2]=4 105 B7R1.2 C1C(=O)N=C(N1)N AB60588 [0,1,0,0,0,0|2,0,1]=4 106 B7R1.2 C1C(CNC1=O)N PB17844 [0,1,0,0,0,0|1,0,0]=2 107 B7R1.2 C1CC(CC1N)O PB13684 [0,1,0,0,0,0|0,0,2]=3 108 B7R1.2 C1C[C@H](C[C@@H]1N)O PB16975 [0,1,0,0,0,0|0,0,2]=3 109 B7R1.2 C1C[C@H](C[C@H]1N)O MB10639 [0,1,0,0,0,0|0,0,2]=3 110 B7R1.2 C1C[C@H](C[C@H]1N)O PB11774 [0,1,0,0,0,0|0,0,2]=3 111 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,1,0,0,0,0|1,0,0]=2 112 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,1,0,0,0,0|1,0,0]=2 113 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,1,0,0,0,0|1,0,0]=2 114 B7R1.2 CN1CCC(=O)C1 PB26542 [0,1,0,0,0,0|1,0,0]=2 115 B7R1.2 CN1CCC(C1)Br AB65769 [0,1,0,0,0,0|2,0,0]=3 116 B7R1.2 CN1CCC(C1)N PB22385 [0,1,0,0,0,0|2,0,0]=3 117 B7R1.2 CN1CCC(C1)O PB32059 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.2 CN1CC[C@@H](C1)N PB14641 [0,1,0,0,0,0|2,0,0]=3 119 B7R1.2 CN1CC[C@H](C1)N PB34450 [0,1,0,0,0,0|2,0,0]=3 120 B7R1.2 CN1CC[C@H](C1)O PB17320 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,1,0,0,0,0|1,0,0]=2 122 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,1,0,0,0,0|1,0,0]=2 123 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,1,0,0,0,0|1,0,0]=2 124 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,1,0,0,0,0|1,0,0]=2 125 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,1,0,0,0,0|0,0,2]=3 126 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,1,0,0,0,0|0,0,2]=3 127 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,1,0,0,0,0|0,0,2]=3 128 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,1,0,0,0,0|0,0,2]=3 129 B7R1.4 C1[C@@H]([C@H](CN1)F)F PB37373 [0,1,0,0,0,0|2,0,1]=4 130 B7R1.4 C1[C@@H]([C@H](CN1)O)O PB16044 [0,1,0,0,0,0|1,0,2]=4 131 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38160 [0,1,0,0,0,0|2,0,1]=4 132 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38162 [0,1,0,0,0,0|2,0,1]=4 133 B7R1.4 C1[C@H]([C@@H](CN1)F)O PB36321 [0,1,0,0,0,0|1,0,2]=4 134 B7R1.4 C1[C@H]([C@@H](CN1)O)O PB26398 [0,1,0,0,0,0|1,0,2]=4 135 B7R1.4 C1[C@H]([C@@H](CO1)N)N PB19676 [0,1,0,0,0,0|2,0,1]=4 136 B7R1.4 C1[C@H]([C@H](CN1)F)F PB36231 [0,1,0,0,0,0|2,0,1]=4 137 B7R1.4 C1[C@H]([C@H](CN1)O)O PB35093 [0,1,0,0,0,0|1,0,2]=4 138 B7R1.4 C1[C@H]([C@H](CO1)N)N PB18249 [0,1,0,0,0,0|2,0,1]=4 139 B7R1.14 C1CNCC1(F)F AB49393 [0,1,0,0,0,0|2,0,1]=4 140 B7R1.14 C1CNCC1(F)F PB20854 [0,1,0,0,0,0|2,0,1]=4 141 B7R1.14 C1CNS(=O)(=O)C1 PB25181 [0,1,0,0,0,0|2,0,0]=3 142 B7R1.14 C1COS(=O)(=O)N1 PB27333 [0,1,0,0,0,0|3,0,0]=4 143 B7R1.14 C1CS(=O)(=O)N=C1 PB24505 [0,1,0,0,0,0|2,0,1]=4 144 B7R1.14 CC1(CCCN1)C PB25045 [0,1,0,0,0,0|2,0,1]=4 145 B7R1.14 CC1(CCNC1)C PB14755 [0,1,0,0,0,0|2,0,1]=4 146 B7R1.14 CC1(CCNC1)O PB19348 [0,1,0,0,0,0|1,0,2]=4 147 B7R1.14 CC1(CCOC1)N PB13539 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.1 B(CCC)(O)O AB08045 [0,0,1,0,0,0|2,0,1]=4 149 B5R0.1 C#CCC(=O)O AB11673 [0,0,1,0,0,0|1,0,2]=4 150 B5R0.1 C(CCl)C(=N)N AB30465 [0,0,1,0,0,0|3,0,0]=4 151 B5R0.1 C(CO)C(=N)N AB48909 [0,0,1,0,0,0|3,0,0]=4 152 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [0,0,1,0,0,0|3,0,0]=4 153 B5R0.1 C=C(CCCl)I MB13669 [0,0,1,0,0,0|2,0,1]=4 154 B5R0.1 CC(=O)\C=N\O AB00206 [0,0,1,0,0,0|2,0,1]=4 155 B5R0.2 C(CBr)N=C=O AB04619 [0,0,1,0,0,0|2,0,1]=4 156 B5R0.2 C(CC#N)CN AB52761 [0,0,1,0,0,0|2,0,1]=4 157 B5R0.2 C(CCl)N=C=O AB00198 [0,0,1,0,0,0|2,0,1]=4 158 B5R0.2 COCCON MB08235 [0,0,1,0,0,0|3,0,0]=4 159 B5R0.3 C=C(CO)CO PB20901 [0,0,1,0,0,0|3,0,0]=4 160 B5R0.3 CCC(=N)NN AB56212 [0,0,1,0,0,0|3,0,0]=4 161 B5R0.3 CCC(=O)C=O AB21438 [0,0,1,0,0,0|1,0,1]=3 162 B5R0.3 CCC(=O)NN PB26058 [0,0,1,0,0,0|2,0,0]=3 163 B5R0.3 COC(=O)CN AB01112 [0,0,1,0,0,0|2,0,0]=3 164 B7R2.13 C1C2C1CNC2 AB58452 [0,0,0,1,0,0|2,0,1]=4 165 B7R2.13 C1C2C1CNC2 PB15056 [0,0,0,1,0,0|2,0,1]=4 166 B7R2.13 C1CNC2C1C2 PB29591 [0,0,0,1,0,0|2,0,1]=4 167 B5R1.2 C1C(=O)CN1 PB32275 [0,0,0,0,1,0|1,0,0]=2 168 B5R1.2 C1C(=O)CO1 PB20352 [0,0,0,0,1,0|1,0,0]=2 169 B5R1.2 C1C(=O)CS1 PB29880 [0,0,0,0,1,0|1,0,0]=2 170 B5R1.2 C1C(CN1)N PB22346 [0,0,0,0,1,0|2,0,1]=4 171 B5R1.2 C1C(CN1)O PB18565 [0,0,0,0,1,0|1,0,2]=4 172 B5R1.2 C1C(CN1)S PB18372 [0,0,0,0,1,0|1,1,1]=4 173 B5R1.2 C1C(CO1)Br PB32639 [0,0,0,0,1,0|2,0,1]=4 174 B5R1.2 C1C(CO1)Cl PB33445 [0,0,0,0,1,0|2,0,1]=4 175 B5R1.2 C1C(CO1)F AB71732 [0,0,0,0,1,0|2,0,1]=4 176 B5R1.2 C1C(CO1)I PB20276 [0,0,0,0,1,0|2,0,1]=4 177 B5R1.2 C1C(CO1)N MB07029 [0,0,0,0,1,0|2,0,1]=4 178 B5R1.2 C1C(CO1)N PB31297 [0,0,0,0,1,0|2,0,1]=4 179 B5R1.2 C1C(CO1)O PB25111 [0,0,0,0,1,0|1,0,2]=4 180 B5R1.2 C1C(CO1)S PB31940 [0,0,0,0,1,0|1,1,1]=4 181 B5R1.2 C1C(CS1)N PB11400 [0,0,0,0,1,0|2,0,1]=4 182 B5R1.2 CC1CNC1 PB16157 [0,0,0,0,1,0|2,0,1]=4 183 B7R1.3 C1CC(=O)CNC1 AB27650 [0,0,0,0,0,1|0,0,0]=1 184 B7R1.3 C1CC(=O)CNC1 PB26241 [0,0,0,0,0,1|0,0,0]=1 185 B7R1.3 C1CC(=O)COC1 PB27461 [0,0,0,0,0,1|0,0,0]=1 186 B7R1.3 C1CC(=O)CSC1 PB28980 [0,0,0,0,0,1|0,0,0]=1 187 B7R1.3 C1CC(CNC1)F PB33693 [0,0,0,0,0,1|1,0,1]=3 188 B7R1.3 C1CC(CNC1)O PB27381 [0,0,0,0,0,1|0,0,2]=3 189 B7R1.3 C1CC(CNC1)S PB34789 [0,0,0,0,0,1|0,1,1]=3 190 B7R1.3 C1CC(COC1)Br MB04535 [0,0,0,0,0,1|1,0,1]=3 191 B7R1.3 C1CC(COC1)N PB30901 [0,0,0,0,0,1|1,0,1]=3 192 B7R1.3 C1CC(COC1)O PB32182 [0,0,0,0,0,1|0,0,2]=3 193 B7R1.3 C1CCNC(C1)O MB03551 [0,0,0,0,0,1|0,0,2]=3 194 B7R1.3 C1CCO[C@@H](C1)N MB06981 [0,0,0,0,0,1|1,0,1]=3 195 B7R1.3 C1CCO[C@H](C1)N MB06978 [0,0,0,0,0,1|1,0,1]=3 196 B7R1.3 C1CNC(=O)CN1 PB23229 [0,0,0,0,0,1|1,0,0]=2 197 B7R1.3 C1CNCCC1=O PB32095 [0,0,0,0,0,1|0,0,0]=1 198 B7R1.3 C1CNCCC1Cl AB14164 [0,0,0,0,0,1|1,0,1]=3 199 B7R1.3 C1CNCCC1F AB13264 [0,0,0,0,0,1|1,0,1]=3 200 B7R1.3 C1CNCCC1F PB24811 [0,0,0,0,0,1|1,0,1]=3 201 B7R1.3 C1CNCCC1N AB11093 [0,0,0,0,0,1|1,0,1]=3 202 B7R1.3 C1CNCCC1S PB26690 [0,0,0,0,0,1|0,1,1]=3 203 B7R1.3 C1COC(=O)CN1 AB71646 [0,0,0,0,0,1|1,0,0]=2 204 B7R1.3 C1COC(CN1)O CB11808 [0,0,0,0,0,1|1,0,2]=4 205 B7R1.3 C1COCC(=O)N1 PB29100 [0,0,0,0,0,1|1,0,0]=2 206 B7R1.3 C1COCC(=S)N1 AB72718 [0,0,0,0,0,1|1,1,0]=3 207 B7R1.3 C1COCC=C1I AB69543 [0,0,0,0,0,1|1,0,1]=3 208 B7R1.3 C1COCCC1=O PB24536 [0,0,0,0,0,1|0,0,0]=1 209 B7R1.3 C1COCCC1Br PB24975 [0,0,0,0,0,1|1,0,1]=3 210 B7R1.3 C1COCCC1Cl AB02848 [0,0,0,0,0,1|1,0,1]=3 211 B7R1.3 C1COCCC1I PB13042 [0,0,0,0,0,1|1,0,1]=3 212 B7R1.3 C1COCCC1N AB11128 [0,0,0,0,0,1|1,0,1]=3 213 B7R1.3 C1COCCC1N PB27421 [0,0,0,0,0,1|1,0,1]=3 214 B7R1.3 C1COCCC1O PB11583 [0,0,0,0,0,1|0,0,2]=3 215 B7R1.3 C1CSCCC1=O PB25896 [0,0,0,0,0,1|0,0,0]=1 216 B7R1.3 C1CSCCC1N AB32569 [0,0,0,0,0,1|1,0,1]=3 217 B7R1.3 C1C[C@@H](CNC1)F PB24269 [0,0,0,0,0,1|1,0,1]=3 218 B7R1.3 C1C[C@@H](CNC1)N AB15031 [0,0,0,0,0,1|1,0,1]=3 219 B7R1.3 C1C[C@@H](CNC1)O PB26394 [0,0,0,0,0,1|0,0,2]=3 220 B7R1.3 C1C[C@H](CNC1)F PB38654 [0,0,0,0,0,1|1,0,1]=3 221 B7R1.3 C1C[C@H](CNC1)N AB29962 [0,0,0,0,0,1|1,0,1]=3 222 B7R1.3 C1C[C@H](CNC1)O PB20930 [0,0,0,0,0,1|0,0,2]=3 223 B7R1.3 C1C[C@H](CNC1)O PB25197 [0,0,0,0,0,1|0,0,2]=3 224 B7R1.3 CC1CCCNC1 AB00557 [0,0,0,0,0,1|1,0,1]=3 225 B7R1.3 CC1CNCCO1 PB23610 [0,0,0,0,0,1|2,0,1]=4 226 B7R1.3 CC1COCCN1 AB49614 [0,0,0,0,0,1|2,0,1]=4 227 B7R1.3 C[C@@H]1CNCCN1 AB04653 [0,0,0,0,0,1|2,0,1]=4 228 B7R1.3 C[C@@H]1CNCCO1 PB14859 [0,0,0,0,0,1|2,0,1]=4 229 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,0,0,0,0,1|2,0,1]=4 230 B7R1.3 C[C@H]1CNCCN1 AB04288 [0,0,0,0,0,1|2,0,1]=4 231 B7R1.3 C[C@H]1CNCCN1 AB14223 [0,0,0,0,0,1|2,0,1]=4 232 B7R1.3 C[C@H]1CNCCN1 AB63406 [0,0,0,0,0,1|2,0,1]=4 233 B7R1.3 C[C@H]1CNCCO1 PB26597 [0,0,0,0,0,1|2,0,1]=4 234 B7R1.3 C[C@H]1COCCN1 AB16412 [0,0,0,0,0,1|2,0,1]=4 235 B4R0.1 CC(=O)C=O AB00820 [1,0,1,0,0,0|1,0,1]=4 236 B4R0.1 CC(=O)NN AB00888 [1,0,1,0,0,0|2,0,0]=4 237 B4R0.1 CC(=O)NO AB01014 [1,0,1,0,0,0|2,0,0]=4 238 B4R0.1 CCC(=N)N AB07703 [1,0,1,0,0,0|2,0,0]=4 239 B4R0.1 C\C=C(/C)\Br AB00105 [1,0,1,0,0,0|1,0,1]=4 240 B4R0.2 C(CN)CCl AB06220 [1,0,1,0,0,0|2,0,0]=4 241 B4R0.2 C=CCCBr AB00123 [1,0,1,0,0,0|1,0,1]=4 242 B4R0.2 C=CCCN AB14698 [1,0,1,0,0,0|1,0,1]=4 243 B4R0.2 C=CCCO AB00288 [1,0,1,0,0,0|1,0,1]=4 244 B6R0.1 CCCC(=N)NN AB56218 [0,1,1,0,0,0|2,0,0]=4 245 B6R0.1 CCNC(=O)C=C CB10170 [0,1,1,0,0,0|1,0,1]=4 246 B6R0.1 CCOC(=N)CCl AB60917 [0,1,1,0,0,0|2,0,0]=4 247 B6R0.1 CCOC(=N)CO AB60920 [0,1,1,0,0,0|2,0,0]=4 248 B6R0.1 CCOC(=O)C#N PB24520 [0,1,1,0,0,0|1,0,1]=4 249 B6R0.1 CNC(=O)CC#N AB03253 [0,1,1,0,0,0|1,0,1]=4 250 B6R0.1 COC(=N)CCCl AB61008 [0,1,1,0,0,0|2,0,0]=4 251 B6R0.1 COC(=O)CC#C AB11822 [0,1,1,0,0,0|0,0,2]=4 252 B6R0.2 CC(C)CC(=N)N AB60903 [0,1,1,0,0,0|2,0,0]=4 253 B6R0.2 CC(C)CC(=S)N AB52630 [0,1,1,0,0,0|1,1,0]=4 254 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [0,1,1,0,0,0|2,0,0]=4 255 B6R0.3 CC(CN)C(=O)O AB00933 [0,1,1,0,0,0|2,0,0]=4 256 B6R0.3 CCC(C(=O)O)N AB00928 [0,1,1,0,0,0|1,0,0]=3 257 B6R0.3 CCN(C)C(=O)Cl MB05193 [0,1,1,0,0,0|2,0,0]=4 258 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,1,1,0,0,0|2,0,0]=4 259 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,1,1,0,0,0|2,0,0]=4 260 B6R0.4 C#CCCC(=O)O CB10019 [0,1,1,0,0,0|1,0,1]=4 261 B6R0.4 C=C(CCCCl)I MB13670 [0,1,1,0,0,0|1,0,1]=4 262 B6R0.4 CC(=O)\C=C\OC AB00959 [0,1,1,0,0,0|0,0,2]=4 263 B6R0.4 CN(C)CCCBr AB52731 [0,1,1,0,0,0|2,0,0]=4 264 B6R0.6 CCCNCCC AB02251 [0,1,1,0,0,0|1,0,1]=4 265 B6R0.6 COCCCON MB19791 [0,1,1,0,0,0|2,0,0]=4 266 B6R0.6 COCCN=C=O AB50988 [0,1,1,0,0,0|1,0,1]=4 267 B6R1.5 C1C(CC1=O)Br PB30412 [0,1,0,0,1,0|0,0,0]=2 268 B6R1.5 C1C(CC1=O)F PB36975 [0,1,0,0,1,0|0,0,0]=2 269 B6R1.5 C1C(CC1=O)N PB20766 [0,1,0,0,1,0|0,0,0]=2 270 B6R1.5 C1C(CC1F)N PB22829 [0,1,0,0,1,0|1,0,1]=4 271 B6R1.5 C1C(CC1F)N PB31217 [0,1,0,0,1,0|1,0,1]=4 272 B6R1.5 C1C(CC1N)N PB10638 [0,1,0,0,1,0|1,0,1]=4 273 B6R1.5 C1C(CC1O)N PB17577 [0,1,0,0,1,0|0,0,2]=4 274 B6R1.5 C1[C@@H](C[C@@H]1N)F PB35807 [0,1,0,0,1,0|1,0,1]=4 275 B6R1.5 C1[C@@H](C[C@@H]1N)N PB39058 [0,1,0,0,1,0|1,0,1]=4 276 B6R1.5 C1[C@@H](C[C@@H]1N)O PB10634 [0,1,0,0,1,0|0,0,2]=4 277 B6R1.5 C1[C@@H](C[C@@H]1N)O PB11282 [0,1,0,0,1,0|0,0,2]=4 278 B6R1.5 C1[C@@H](C[C@@H]1O)F PB37280 [0,1,0,0,1,0|0,0,2]=4 279 B6R1.5 C1[C@@H](C[C@H]1N)F PB37634 [0,1,0,0,1,0|1,0,1]=4 280 B6R1.5 C1[C@@H](C[C@H]1N)N PB38862 [0,1,0,0,1,0|1,0,1]=4 281 B6R1.5 C1[C@@H](C[C@H]1N)O PB14636 [0,1,0,0,1,0|0,0,2]=4 282 B6R1.5 C1[C@@H](C[C@H]1N)O PB19576 [0,1,0,0,1,0|0,0,2]=4 283 B6R1.5 C1[C@@H](C[C@H]1O)F PB27240 [0,1,0,0,1,0|0,0,2]=4 284 B6R1.5 CN1CC(C1)N PB23920 [0,1,0,0,1,0|2,0,0]=4 285 B6R1.5 CN1CC(C1)O PB30133 [0,1,0,0,1,0|2,0,0]=4 286 B6R1.6 C1C(CO1)C=O AB76630 [0,1,0,0,1,0|1,0,1]=4 287 B6R1.6 C1CC(C1)CN PB27388 [0,1,0,0,1,0|1,0,1]=4 288 B6R1.10 C1CS(=O)(=O)C1 CB10217 [0,1,0,0,1,0|1,0,0]=3 289 B8R1.2 C#CC1CCCNC1 PB26666 [0,1,0,0,0,1|1,0,1]=4 290 B8R1.2 C#CC1CCCOC1 PB11321 [0,1,0,0,0,1|1,0,1]=4 291 B8R1.2 C#CC1CCNCC1 PB19413 [0,1,0,0,0,1|1,0,1]=4 292 B8R1.2 C#CC1CCOCC1 PB24300 [0,1,0,0,0,1|1,0,1]=4 293 B8R1.2 C#CC1CCSCC1 PB39036 [0,1,0,0,0,1|1,0,1]=4 294 B8R1.2 C1CC(CNC1)C#N AB09048 [0,1,0,0,0,1|1,0,1]=4 295 B8R1.2 C1CC(CNC1)C#N PB31344 [0,1,0,0,0,1|1,0,1]=4 296 B8R1.2 C1CC(CNC1)CN AB17390 [0,1,0,0,0,1|1,0,1]=4 297 B8R1.2 C1CC(CNC1)CO PB21599 [0,1,0,0,0,1|0,0,2]=4 298 B8R1.2 C1CC(COC1)C=O AB16155 [0,1,0,0,0,1|0,0,1]=3 299 B8R1.2 C1CC(COC1)CBr PB14565 [0,1,0,0,0,1|1,0,1]=4 300 B8R1.2 C1CC(COC1)CN PB23481 [0,1,0,0,0,1|1,0,1]=4 301 B8R1.2 C1CC(COC1)CO PB12514 [0,1,0,0,0,1|0,0,2]=4 302 B8R1.2 C1CCC(=CC1)CBr PB28658 [0,1,0,0,0,1|1,0,0]=3 303 B8R1.2 C1CCN(CC1)CCl AB16725 [0,1,0,0,0,1|2,0,0]=4 304 B8R1.2 C1CCNC(C1)C#N AB13841 [0,1,0,0,0,1|1,0,1]=4 305 B8R1.2 C1CCNC(C1)C=O AB52540 [0,1,0,0,0,1|0,0,1]=3 306 B8R1.2 C1CCOC(C1)C=O MB05934 [0,1,0,0,0,1|0,0,1]=3 307 B8R1.2 C1CCOC(C1)CBr MB00206 [0,1,0,0,0,1|1,0,1]=4 308 B8R1.2 C1CCOC(C1)CN AB28292 [0,1,0,0,0,1|1,0,1]=4 309 B8R1.2 C1CCOC(C1)CO AB00784 [0,1,0,0,0,1|0,0,2]=4 310 B8R1.2 C1CNCCC1C#N PB14665 [0,1,0,0,0,1|1,0,1]=4 311 B8R1.2 C1CNCCC1C=O AB52543 [0,1,0,0,0,1|0,0,1]=3 312 B8R1.2 C1CNCCC1CBr AB52518 [0,1,0,0,0,1|1,0,1]=4 313 B8R1.2 C1CNCCC1CBr MB02967 [0,1,0,0,0,1|1,0,1]=4 314 B8R1.2 C1CNCCC1CF PB14869 [0,1,0,0,0,1|1,0,1]=4 315 B8R1.2 C1CNCCC1CO PB10118 [0,1,0,0,0,1|0,0,2]=4 316 B8R1.2 C1COCCC1=NO AB55822 [0,1,0,0,0,1|0,0,1]=3 317 B8R1.2 C1COCCC1C#N PB20297 [0,1,0,0,0,1|1,0,1]=4 318 B8R1.2 C1COCCC1C=O AB14645 [0,1,0,0,0,1|0,0,1]=3 319 B8R1.2 C1COCCC1CBr PB20063 [0,1,0,0,0,1|1,0,1]=4 320 B8R1.2 C1COCCC1CCl AB71513 [0,1,0,0,0,1|1,0,1]=4 321 B8R1.2 C1COCCC1CI PB24898 [0,1,0,0,0,1|1,0,1]=4 322 B8R1.2 C1COCCC1CN AB14272 [0,1,0,0,0,1|1,0,1]=4 323 B8R1.2 C1COCCC1CN PB27569 [0,1,0,0,0,1|1,0,1]=4 324 B8R1.2 C1COCCC1CO PB18487 [0,1,0,0,0,1|0,0,2]=4 325 B8R1.2 C1COCCC1NN PB16645 [0,1,0,0,0,1|1,0,1]=4 326 B8R1.2 C1COCCN1C#N MB00186 [0,1,0,0,0,1|2,0,0]=4 327 B8R1.2 C1COCCN1CCl AB16667 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.2 C1CSCCC1C#N PB29580 [0,1,0,0,0,1|1,0,1]=4 329 B8R1.2 C1CSCCC1C=O AB14650 [0,1,0,0,0,1|0,0,1]=3 330 B8R1.2 C1CSCCC1CN PB35740 [0,1,0,0,0,1|1,0,1]=4 331 B8R1.2 C1CSCCC1CO PB28111 [0,1,0,0,0,1|0,0,2]=4 332 B8R1.2 C1C[C@@H](CNC1)C#N PB37391 [0,1,0,0,0,1|1,0,1]=4 333 B8R1.2 C1C[C@H](CNC1)C#N PB37352 [0,1,0,0,0,1|1,0,1]=4 334 B8R1.2 CNC1CCNCC1 PB15642 [0,1,0,0,0,1|1,0,1]=4 335 B8R1.2 CNC1CCOCC1 PB29392 [0,1,0,0,0,1|1,0,1]=4 336 B8R1.2 COC1=CCOCC1 PB24535 [0,1,0,0,0,1|0,0,2]=4 337 B8R1.2 COC1CCCNC1 PB14414 [0,1,0,0,0,1|0,0,2]=4 338 B8R1.2 COC1CCNCC1 PB10390 [0,1,0,0,0,1|0,0,2]=4 339 B8R1.2 COC1CCNCC1 PB34075 [0,1,0,0,0,1|0,0,2]=4 340 B8R1.2 CO[C@@H]1CCCNC1 PB31791 [0,1,0,0,0,1|0,0,2]=4 341 B8R1.2 CO[C@@H]1CCCNC1 PB31829 [0,1,0,0,0,1|0,0,2]=4 342 B8R1.2 CO[C@H]1CCCNC1 PB13690 [0,1,0,0,0,1|0,0,2]=4 343 B8R1.2 CO[C@H]1CCCNC1 PB31836 [0,1,0,0,0,1|0,0,2]=4 344 B8R1.2 CSC1CCNCC1 PB22682 [0,1,0,0,0,1|0,1,1]=4 345 B8R1.3 C1CC(=O)CCC1N AB26267 [0,1,0,0,0,1|0,0,0]=2 346 B8R1.3 C1CC(=O)NCC1N PB22229 [0,1,0,0,0,1|0,0,0]=2 347 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N AB30937 [0,1,0,0,0,1|0,0,2]=4 348 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O PB27420 [0,1,0,0,0,1|0,0,2]=4 349 B8R1.3 C1[C@@H](CC[C@H](C1)O)N AB02731 [0,1,0,0,0,1|0,0,2]=4 350 B8R1.3 C1[C@@H](CC[C@H](C1)O)O AB02551 [0,1,0,0,0,1|0,0,2]=4 351 B8R1.3 CC1CNC(=O)CN1 AB37204 [0,1,0,0,0,1|1,0,0]=3 352 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,1,0,0,0,1|1,0,0]=3 353 B8R1.3 CN1CCC(=CC1)I AB70135 [0,1,0,0,0,1|1,0,1]=4 354 B8R1.3 CN1CCC(CC1)Cl AB01976 [0,1,0,0,0,1|1,0,1]=4 355 B8R1.3 CN1CCC(CC1)N PB32253 [0,1,0,0,0,1|1,0,1]=4 356 B8R1.3 CN1CCC(CC1)O PB18398 [0,1,0,0,0,1|0,0,2]=4 357 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [0,1,0,0,0,1|1,0,0]=3 358 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [0,1,0,0,0,1|1,0,0]=3 359 B8R1.4 C1C(=O)COCC1=O PB14653 [0,1,0,0,0,1|0,0,1]=3 360 B8R1.4 C1C(=O)CSCC1=O PB15832 [0,1,0,0,0,1|0,0,1]=3 361 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [0,1,0,0,0,1|0,0,1]=3 362 B8R1.4 C1CNC(=O)CC1=O PB20308 [0,1,0,0,0,1|0,0,1]=3 363 B8R1.4 C1CNC(=O)CC1N PB11631 [0,1,0,0,0,1|0,0,0]=2 364 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,1,0,0,0,1|0,0,0]=2 365 B8R1.4 C1CNC(=O)OC1=O AB27597 [0,1,0,0,0,1|1,0,1]=4 366 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,1,0,0,0,1|0,0,0]=2 367 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,1,0,0,0,1|0,0,0]=2 368 B8R1.4 CC1CC(CCN1)O PB10241 [0,1,0,0,0,1|0,0,2]=4 369 B8R1.4 CC1CC(CCO1)O PB22789 [0,1,0,0,0,1|0,0,2]=4 370 B8R1.4 CC1CNCC(=O)N1 AB37299 [0,1,0,0,0,1|1,0,0]=3 371 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,1,0,0,0,1|0,0,0]=2 372 B8R1.4 CN1CCCC(C1)N PB12415 [0,1,0,0,0,1|1,0,1]=4 373 B8R1.4 CN1CCCC(C1)O PB17042 [0,1,0,0,0,1|0,0,2]=4 374 B8R1.4 CN1CCC[C@@H](C1)N PB25450 [0,1,0,0,0,1|1,0,1]=4 375 B8R1.4 CN1CCC[C@@H](C1)N PB28836 [0,1,0,0,0,1|1,0,1]=4 376 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [0,1,0,0,0,1|0,0,2]=4 377 B8R1.4 CN1CCC[C@H](C1)N PB33333 [0,1,0,0,0,1|1,0,1]=4 378 B8R1.4 CN1CCC[C@H](C1)O PB31692 [0,1,0,0,0,1|0,0,2]=4 379 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,1,0,0,0,1|0,0,0]=2 380 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [0,1,0,0,0,1|1,0,1]=4 381 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [0,1,0,0,0,1|1,0,1]=4 382 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [0,1,0,0,0,1|1,0,0]=3 383 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [0,1,0,0,0,1|0,0,2]=4 384 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,1,0,0,0,1|0,0,0]=2 385 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [0,1,0,0,0,1|1,0,0]=3 386 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [0,1,0,0,0,1|0,0,2]=4 387 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,1,0,0,0,1|0,0,0]=2 388 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [0,1,0,0,0,1|0,0,2]=4 389 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [0,1,0,0,0,1|0,0,2]=4 390 B8R1.5 C1CC[C@H]([C@@H](C1)N)N AB07531 [0,1,0,0,0,1|1,0,1]=4 391 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [0,1,0,0,0,1|0,0,2]=4 392 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [0,1,0,0,0,1|0,0,2]=4 393 B8R1.5 C1CNCC(C1=O)F PB20587 [0,1,0,0,0,1|0,0,0]=2 394 B8R1.5 C1CNC[C@H]([C@@H]1F)F PB37354 [0,1,0,0,0,1|1,0,1]=4 395 B8R1.5 C1CNC[C@H]([C@@H]1F)O PB30506 [0,1,0,0,0,1|0,0,2]=4 396 B8R1.5 C1CNC[C@H]([C@@H]1O)F PB36818 [0,1,0,0,0,1|0,0,2]=4 397 B8R1.5 C1CNC[C@H]([C@H]1F)F PB38218 [0,1,0,0,0,1|1,0,1]=4 398 B8R1.5 C1CNC[C@H]([C@H]1O)F PB38663 [0,1,0,0,0,1|0,0,2]=4 399 B8R1.5 C1COCC(C1=O)Br PB18064 [0,1,0,0,0,1|0,0,0]=2 400 B8R1.5 C1COCC(C1=O)F PB28362 [0,1,0,0,0,1|0,0,0]=2 401 B8R1.5 C1COC[C@@H]([C@@H]1N)O PB28882 [0,1,0,0,0,1|0,0,2]=4 402 B8R1.5 C1COC[C@@H]([C@H]1N)O PB24500 [0,1,0,0,0,1|0,0,2]=4 403 B8R1.5 C1COC[C@@H]([C@H]1O)N PB22997 [0,1,0,0,0,1|0,0,2]=4 404 B8R1.5 C1COC[C@H]([C@@H]1O)N PB31273 [0,1,0,0,0,1|0,0,2]=4 405 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [0,1,0,0,0,1|0,0,0]=2 406 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [0,1,0,0,0,1|0,0,0]=2 407 B8R1.5 CC1C(=O)NCCN1 AB04135 [0,1,0,0,0,1|1,0,0]=3 408 B8R1.5 CC1C(=O)NCCO1 AB71412 [0,1,0,0,0,1|1,0,0]=3 409 B8R1.5 CC1CCNCC1=O PB36769 [0,1,0,0,0,1|0,0,0]=2 410 B8R1.5 CC1CCNCC1O PB36981 [0,1,0,0,0,1|0,0,2]=4 411 B8R1.5 CC1CNCCC1=O PB23474 [0,1,0,0,0,1|0,0,0]=2 412 B8R1.5 CC1COCCC1=O PB26907 [0,1,0,0,0,1|0,0,0]=2 413 B8R1.5 CN1CCNCC1=O PB24934 [0,1,0,0,0,1|1,0,0]=3 414 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [0,1,0,0,0,1|1,0,0]=3 415 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [0,1,0,0,0,1|0,0,2]=4 416 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [0,1,0,0,0,1|0,0,2]=4 417 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [0,1,0,0,0,1|0,0,2]=4 418 B8R1.5 C[C@@H]1COCC[C@H]1N PB28883 [0,1,0,0,0,1|1,0,1]=4 419 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [0,1,0,0,0,1|1,0,0]=3 420 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [0,1,0,0,0,1|0,0,2]=4 421 B8R1.5 C[C@H]1COCC[C@H]1N PB19784 [0,1,0,0,0,1|1,0,1]=4 422 B8R1.72 C1CC(CNC1)(F)F PB23351 [0,1,0,0,0,1|1,0,1]=4 423 B8R1.72 C1CCS(=O)(=O)NC1 AB17207 [0,1,0,0,0,1|1,0,0]=3 424 B8R1.72 C1CNCCC1(F)F PB29234 [0,1,0,0,0,1|1,0,1]=4 425 B8R1.72 C1COCS(=O)(=O)N1 PB13109 [0,1,0,0,0,1|2,0,0]=4 426 B8R1.72 C1CS(=O)(=O)CCN1 PB18693 [0,1,0,0,0,1|1,0,0]=3 427 B8R1.72 C1CS(=O)(=O)CCN1 PB21955 [0,1,0,0,0,1|1,0,0]=3 428 B8R1.72 CC1(CCCCN1)C AB58454 [0,1,0,0,0,1|1,0,1]=4 429 B8R1.72 CC1(CCCNC1)O PB32801 [0,1,0,0,0,1|0,0,2]=4 430 B8R1.72 CC1(CCNCC1)C AB17027 [0,1,0,0,0,1|1,0,1]=4 431 B8R1.72 CC1(CCNCC1)C PB14098 [0,1,0,0,0,1|1,0,1]=4 432 B8R1.72 CC1(CCNCC1)N AB48443 [0,1,0,0,0,1|1,0,1]=4 433 B8R1.72 CC1(CCNCC1)O PB10877 [0,1,0,0,0,1|0,0,2]=4 434 B8R1.72 CC1(CCNCC1)O PB32903 [0,1,0,0,0,1|0,0,2]=4 435 B8R1.72 CC1(CCOCC1)N PB22590 [0,1,0,0,0,1|1,0,1]=4 436 B8R1.1 C1C(CNC1=O)CN PB10686 [0,2,0,0,0,0|1,0,0]=3 437 B8R1.1 C1C(CNC1=O)CO PB26709 [0,2,0,0,0,0|1,0,0]=3 438 B8R1.1 C1CC(=O)NC1CN AB28123 [0,2,0,0,0,0|1,0,0]=3 439 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [0,2,0,0,0,0|1,0,0]=3 440 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [0,2,0,0,0,0|1,0,0]=3 441 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [0,2,0,0,0,0|1,0,0]=3 442 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [0,2,0,0,0,0|1,0,0]=3 443 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [0,2,0,0,0,0|1,0,0]=3 444 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [0,2,0,0,0,0|1,0,0]=3 445 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [0,2,0,0,0,0|1,0,0]=3 446 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [0,2,0,0,0,0|1,0,0]=3 447 B8R1.1 C1[C@H](COC1=O)CF MB19704 [0,2,0,0,0,0|1,0,0]=3 448 B8R1.1 CN1CCC(C1)CN PB23433 [0,2,0,0,0,0|2,0,0]=4 449 B8R1.1 CN1CC[C@@H](C1)CN PB35492 [0,2,0,0,0,0|2,0,0]=4 450 B8R1.1 CN1CC[C@@H](C1)CO PB34858 [0,2,0,0,0,0|2,0,0]=4 451 B8R1.1 CN1CC[C@H](C1)CN PB36038 [0,2,0,0,0,0|2,0,0]=4 452 B8R1.1 CN1CC[C@H](C1)CO PB31861 [0,2,0,0,0,0|2,0,0]=4 453 B8R1.7 B(C1=CCCC1)(O)O AB11270 [0,2,0,0,0,0|0,0,2]=4 454 B8R1.7 B(C1CCCC1)(O)O AB08034 [0,2,0,0,0,0|0,0,2]=4 455 B8R1.7 C1CCC(C1)C(=O)O AB00138 [0,2,0,0,0,0|0,0,1]=3 456 B8R1.7 C1CNCC1C(=O)N PB11736 [0,2,0,0,0,0|1,0,1]=4 457 B8R1.7 C1CNCC1C(=O)N PB32691 [0,2,0,0,0,0|1,0,1]=4 458 B8R1.7 C1CNCC1C(=O)O PB19915 [0,2,0,0,0,0|1,0,1]=4 459 B8R1.7 C1CNC[C@@H]1C(=O)N PB14988 [0,2,0,0,0,0|1,0,1]=4 460 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [0,2,0,0,0,0|1,0,1]=4 461 B8R1.7 C1CNC[C@H]1C(=O)N PB16436 [0,2,0,0,0,0|1,0,1]=4 462 B8R1.7 C1CNC[C@H]1C(=O)N PB28896 [0,2,0,0,0,0|1,0,1]=4 463 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [0,2,0,0,0,0|1,0,1]=4 464 B8R1.7 C1COC=C1C(=O)O PB26262 [0,2,0,0,0,0|1,0,1]=4 465 B8R1.7 C1COCC1C(=O)N PB20686 [0,2,0,0,0,0|1,0,1]=4 466 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [0,2,0,0,0,0|1,0,1]=4 467 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [0,2,0,0,0,0|1,0,1]=4 468 B8R1.7 C1CON=C1[N+](=O)[O-] MB10652 [0,2,0,0,0,0|2,0,0]=4 469 B8R1.7 C1C[C@@H](NC1)C(=O)N AB04106 [0,2,0,0,0,0|1,0,1]=4 470 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [0,2,0,0,0,0|1,0,1]=4 471 B8R1.7 C1C[C@H](NC1)C(=O)N AB00394 [0,2,0,0,0,0|1,0,1]=4 472 B8R1.8 C#CCN1CCCC1 AB15844 [0,2,0,0,0,0|2,0,0]=4 473 B8R1.8 C1CC(OC1)CC=O AB76318 [0,2,0,0,0,0|1,0,1]=4 474 B8R1.8 C1CCC(C1)CCN AB02350 [0,2,0,0,0,0|1,0,1]=4 475 B8R1.8 C1CCC(C1)CON CB11464 [0,2,0,0,0,0|0,0,2]=4 476 B8R1.8 C1CCC(C1)N=C=O AB10807 [0,2,0,0,0,0|0,0,1]=3 477 B8R1.8 C1COCC1CC=O AB75447 [0,2,0,0,0,0|1,0,1]=4 478 B8R1.11 C1C(C(=O)CO1)C#N PB39082 [0,2,0,0,0,0|1,0,0]=3 479 B8R1.11 C1C(C(=O)CS1)C#N PB17090 [0,2,0,0,0,0|1,0,0]=3 480 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [0,2,0,0,0,0|0,0,2]=4 481 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [0,2,0,0,0,0|0,0,2]=4 482 B8R1.11 CN1CCC[C@@H]1CN PB21275 [0,2,0,0,0,0|2,0,0]=4 483 B8R1.11 CN1CCC[C@@H]1CO PB17412 [0,2,0,0,0,0|2,0,0]=4 484 B8R1.11 CN1CCC[C@H]1CN PB34570 [0,2,0,0,0,0|2,0,0]=4 485 B8R1.52 C1CCC(C1)(C#N)N MB03474 [0,2,0,0,0,0|1,0,1]=4 486 B8R1.18 CN1CC(CC1=O)N PB22380 [0,2,0,0,0,0|1,0,0]=3 487 B8R1.50 C1CC(=O)N(C1=O)O AB00437 [0,2,0,0,0,0|1,0,1]=4 488 B8R1.50 C1CN(C(=O)C1N)O AB02803 [0,2,0,0,0,0|1,0,0]=3 489 B8R1.51 C1C=C(CC1(F)F)I AB85516 [0,2,0,0,0,0|1,0,1]=4 490 B8R1.51 C1CC(CC1=O)(F)F AB71425 [0,2,0,0,0,0|0,0,0]=2 491 B8R1.51 C1CC(CC1N)(F)F PB25527 [0,2,0,0,0,0|1,0,1]=4 492 B8R1.51 C1CC(C[C@@H]1N)(F)F PB38375 [0,2,0,0,0,0|1,0,1]=4 493 B8R1.51 C1CC(C[C@H]1N)(F)F PB38460 [0,2,0,0,0,0|1,0,1]=4 494 B8R1.51 C1CS(=O)(=O)CC1N PB12042 [0,2,0,0,0,0|1,0,0]=3 495 B8R1.51 CC1(CCC(C1)N)O PB38754 [0,2,0,0,0,0|0,0,2]=4 496 B8R1.51 CC1(COC(=O)N1)C PB29297 [0,2,0,0,0,0|2,0,0]=4 497 B6R1.11 C1CC1C(=S)N AB50595 [0,0,1,1,0,0|1,1,0]=4 498 B6R1.1 C1CNCC=C1 PB15670 [0,0,1,1,0,0|2,0,0]=4 499 B8R2.11 C1C2C(C2N)CN1 AB20675 [0,0,0,1,0,1|1,0,1]=4 500 B8R2.11 C1[C@@H]2[C@@H]([C@H]2O)CN1 PB28802 [0,0,0,1,0,1|0,0,2]=4 501 B8R2.18 C1C2C1CC(C2)N PB21479 [0,0,0,1,0,1|1,0,1]=4 502 B8R2.25 C1CNCC2C1C2 PB26945 [0,0,0,1,0,1|1,0,1]=4 503 B8R2.34 C1C[C@@H]2C[C@H]1CN2 MB03646 [0,0,0,1,0,1|1,0,1]=4 504 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB19914 [0,0,0,1,0,1|1,0,1]=4 505 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB27446 [0,0,0,1,0,1|1,0,1]=4 506 B4R1.1 C1CNC1 PB33850 [1,0,0,0,1,0|1,0,0]=3 507 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,0,0,0,0,2|0,0,0]=2 508 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,0,0,0,0,2|0,0,0]=2 509 B8R1.22 C1CC(CCNC1)F PB33307 [0,0,0,0,0,2|1,0,1]=4 510 B8R1.22 C1CC(CCNC1)O PB18652 [0,0,0,0,0,2|0,0,2]=4 511 B8R1.22 C1CC(CCOC1)N AB70734 [0,0,0,0,0,2|1,0,1]=4 512 B8R1.22 C1CCNCC(C1)N AB11528 [0,0,0,0,0,2|1,0,1]=4 513 B8R1.22 C1CCNC[C@@H](C1)N PB20876 [0,0,0,0,0,2|1,0,1]=4 514 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,0,0,0,0,2|0,0,0]=2 515 B8R1.22 C1CNCCNC1=O AB07054 [0,0,0,0,0,2|0,0,0]=2 516 B8R1.22 CC1CCNCCN1 PB17623 [0,0,0,0,0,2|1,0,1]=4 517 B8R1.22 C[C@H]1CNCCCN1 AB72341 [0,0,0,0,0,2|1,0,1]=4