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|3,0,0]=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=NC(=N1)Br AB11316 [0,0,0,0,0,0|3,0,1]=4 7 B6R1.2 C1C=NC(=N1)Cl AB11323 [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 C1C=NC(=N1)I AB04195 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 C1C=NC(=N1)N AB07116 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 C1C=NC(=N1)N AB29274 [0,0,0,0,0,0|3,0,1]=4 11 B6R1.2 C1C=NC(=N1)O AB52896 [0,0,0,0,0,0|2,0,2]=4 12 B6R1.2 C1C=NC(=N1)S AB00386 [0,0,0,0,0,0|2,1,1]=4 13 B6R1.2 C1CNCC1=O PB21807 [0,0,0,0,0,0|2,0,0]=2 14 B6R1.2 C1CNCC1F AB27153 [0,0,0,0,0,0|3,0,1]=4 15 B6R1.2 C1CNCC1F PB27633 [0,0,0,0,0,0|3,0,1]=4 16 B6R1.2 C1CNCC1O PB24775 [0,0,0,0,0,0|2,0,2]=4 17 B6R1.2 C1CNC[C@@H]1F AB27158 [0,0,0,0,0,0|3,0,1]=4 18 B6R1.2 C1CNC[C@@H]1F PB23386 [0,0,0,0,0,0|3,0,1]=4 19 B6R1.2 C1CNC[C@@H]1N AB02820 [0,0,0,0,0,0|3,0,1]=4 20 B6R1.2 C1CNC[C@@H]1O PB17129 [0,0,0,0,0,0|2,0,2]=4 21 B6R1.2 C1CNC[C@@H]1O PB18456 [0,0,0,0,0,0|2,0,2]=4 22 B6R1.2 C1CNC[C@H]1F AB27154 [0,0,0,0,0,0|3,0,1]=4 23 B6R1.2 C1CNC[C@H]1F PB20102 [0,0,0,0,0,0|3,0,1]=4 24 B6R1.2 C1CNC[C@H]1N AB02823 [0,0,0,0,0,0|3,0,1]=4 25 B6R1.2 C1CNC[C@H]1O PB30638 [0,0,0,0,0,0|2,0,2]=4 26 B6R1.2 C1CNC[C@H]1O PB32171 [0,0,0,0,0,0|2,0,2]=4 27 B6R1.2 C1COCC1=O PB17440 [0,0,0,0,0,0|2,0,0]=2 28 B6R1.2 C1COCC1Br PB20333 [0,0,0,0,0,0|3,0,1]=4 29 B6R1.2 C1COCC1I PB14773 [0,0,0,0,0,0|3,0,1]=4 30 B6R1.2 C1COCC1N PB27801 [0,0,0,0,0,0|3,0,1]=4 31 B6R1.2 C1COCC1O PB24525 [0,0,0,0,0,0|2,0,2]=4 32 B6R1.2 C1COC[C@@H]1I PB34863 [0,0,0,0,0,0|3,0,1]=4 33 B6R1.2 C1COC[C@@H]1N PB10514 [0,0,0,0,0,0|3,0,1]=4 34 B6R1.2 C1COC[C@@H]1O PB17096 [0,0,0,0,0,0|2,0,2]=4 35 B6R1.2 C1COC[C@H]1I PB22839 [0,0,0,0,0,0|3,0,1]=4 36 B6R1.2 C1COC[C@H]1N PB18852 [0,0,0,0,0,0|3,0,1]=4 37 B6R1.2 C1COC[C@H]1O PB25950 [0,0,0,0,0,0|2,0,2]=4 38 B6R1.2 C1CONC1=O MB10654 [0,0,0,0,0,0|2,0,0]=2 39 B6R1.2 CC1=CCCO1 AB00300 [0,0,0,0,0,0|1,0,1]=2 40 B6R1.2 CC1=CN=CC1 PB12076 [0,0,0,0,0,0|3,0,1]=4 41 B6R1.2 CC1=CN=NC1 AB00390 [0,0,0,0,0,0|4,0,0]=4 42 B6R1.2 CC1=NC=CC1 AB12705 [0,0,0,0,0,0|2,0,2]=4 43 B6R1.2 CC1=NN=NC1 AB70603 [0,0,0,0,0,0|4,0,0]=4 44 B6R1.2 CC1CCCN1 AB44503 [0,0,0,0,0,0|2,0,1]=3 45 B6R1.2 CC1CCNC1 AB41901 [0,0,0,0,0,0|3,0,1]=4 46 B6R1.2 C[C@@H]1CCCN1 AB29488 [0,0,0,0,0,0|2,0,1]=3 47 B6R1.2 C[C@@H]1CCCN1 AB42774 [0,0,0,0,0,0|2,0,1]=3 48 B6R1.2 C[C@@H]1CCNC1 AB29518 [0,0,0,0,0,0|3,0,1]=4 49 B6R1.2 C[C@H]1CCCN1 AB29489 [0,0,0,0,0,0|2,0,1]=3 50 B6R1.2 C[C@H]1CCNC1 AB29522 [0,0,0,0,0,0|3,0,1]=4 51 B6R1.2 c1c(ocn1)Br AB68491 [0,0,0,0,0,0|2,0,2]=4 52 B6R1.2 c1c(ocn1)N MB10132 [0,0,0,0,0,0|2,0,2]=4 53 B6R1.2 c1cc(oc1)Br AB04890 [0,0,0,0,0,0|1,0,3]=4 54 B6R1.2 c1cnoc1N MB00706 [0,0,0,0,0,0|2,0,2]=4 55 B6R1.2 c1coc(n1)Br AB53255 [0,0,0,0,0,0|2,0,2]=4 56 B6R1.2 c1coc(n1)I PB15201 [0,0,0,0,0,0|2,0,2]=4 57 B6R1.2 c1coc(n1)N MB04324 [0,0,0,0,0,0|2,0,2]=4 58 B5R1.1 C1C=NN=N1 AB01140 [1,0,0,0,0,0|3,0,0]=4 59 B5R1.1 c1cocn1 PB17048 [1,0,0,0,0,0|1,0,2]=4 60 B7R1.1 C1C=C(C=N1)C=O AB15013 [0,1,0,0,0,0|2,0,1]=4 61 B7R1.1 C1C=C(N=N1)C=O AB25611 [0,1,0,0,0,0|2,0,1]=4 62 B7R1.1 C1C=CN=C1C=O AB00388 [0,1,0,0,0,0|1,0,2]=4 63 B7R1.1 C1CC(NC1)C#N PB19916 [0,1,0,0,0,0|2,0,1]=4 64 B7R1.1 C1CC(OC1)CI AB24846 [0,1,0,0,0,0|1,0,1]=3 65 B7R1.1 C1CC(OC1)CN AB00408 [0,1,0,0,0,0|1,0,1]=3 66 B7R1.1 C1CC=C(C1)CBr PB30182 [0,1,0,0,0,0|2,0,0]=3 67 B7R1.1 C1CCC(C1)C=O AB02400 [0,1,0,0,0,0|1,0,1]=3 68 B7R1.1 C1CCC(C1)CBr AB50196 [0,1,0,0,0,0|2,0,1]=4 69 B7R1.1 C1CCC(C1)CI AB15507 [0,1,0,0,0,0|2,0,1]=4 70 B7R1.1 C1CCC(C1)CN AB17884 [0,1,0,0,0,0|2,0,1]=4 71 B7R1.1 C1C[C@@H](NC1)C#N PB20041 [0,1,0,0,0,0|2,0,1]=4 72 B7R1.1 C1C[C@@H](NC1)C#N PB30023 [0,1,0,0,0,0|2,0,1]=4 73 B7R1.1 C1C[C@@H](NC1)CO PB21663 [0,1,0,0,0,0|1,0,2]=4 74 B7R1.1 C1C[C@H](NC1)C#N PB29383 [0,1,0,0,0,0|2,0,1]=4 75 B7R1.1 C1C[C@H](NC1)CF PB15907 [0,1,0,0,0,0|2,0,1]=4 76 B7R1.1 C1C[C@H](NC1)CN PB13488 [0,1,0,0,0,0|2,0,1]=4 77 B7R1.1 C1C[C@H](NC1)CO PB30520 [0,1,0,0,0,0|1,0,2]=4 78 B7R1.1 CCC1CCCN1 AB12042 [0,1,0,0,0,0|2,0,1]=4 79 B7R1.1 c1c(ocn1)C=O AB11283 [0,1,0,0,0,0|1,0,2]=4 80 B7R1.1 c1coc(n1)C=O AB14413 [0,1,0,0,0,0|1,0,2]=4 81 B7R1.2 C1C(=CC(=O)N1)Br CB11702 [0,1,0,0,0,0|1,0,2]=4 82 B7R1.2 C1C(=O)N=C(N1)N AB60588 [0,1,0,0,0,0|2,0,1]=4 83 B7R1.2 C1C(CNC1=O)N PB17844 [0,1,0,0,0,0|1,0,0]=2 84 B7R1.2 C1CC(CC1N)O PB13684 [0,1,0,0,0,0|1,0,2]=4 85 B7R1.2 C1C[C@H](C[C@@H]1N)O PB16975 [0,1,0,0,0,0|1,0,2]=4 86 B7R1.2 C1C[C@H](C[C@H]1N)O MB10639 [0,1,0,0,0,0|1,0,2]=4 87 B7R1.2 C1C[C@H](C[C@H]1N)O PB11774 [0,1,0,0,0,0|1,0,2]=4 88 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,1,0,0,0,0|1,0,0]=2 89 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,1,0,0,0,0|1,0,0]=2 90 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,1,0,0,0,0|1,0,0]=2 91 B7R1.2 CN1CCC(=O)C1 PB26542 [0,1,0,0,0,0|2,0,0]=3 92 B7R1.2 CN1CCC(C1)Br AB65769 [0,1,0,0,0,0|3,0,0]=4 93 B7R1.2 CN1CCC(C1)N PB22385 [0,1,0,0,0,0|3,0,0]=4 94 B7R1.2 CN1CCC(C1)O PB32059 [0,1,0,0,0,0|3,0,0]=4 95 B7R1.2 CN1CC[C@@H](C1)N PB14641 [0,1,0,0,0,0|3,0,0]=4 96 B7R1.2 CN1CC[C@H](C1)N PB34450 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.2 CN1CC[C@H](C1)O PB17320 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,1,0,0,0,0|1,0,0]=2 99 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,1,0,0,0,0|1,0,0]=2 100 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,1,0,0,0,0|1,0,0]=2 101 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,1,0,0,0,0|0,0,0]=1 102 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,1,0,0,0,0|1,0,2]=4 103 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,1,0,0,0,0|1,0,2]=4 104 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,1,0,0,0,0|1,0,2]=4 105 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,1,0,0,0,0|1,0,2]=4 106 B7R1.14 C1CNS(=O)(=O)C1 PB25181 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.14 C1COS(=O)(=O)N1 PB27333 [0,1,0,0,0,0|2,0,0]=3 108 B7R1.14 C1CS(=O)(=O)N=C1 PB24505 [0,1,0,0,0,0|2,0,1]=4 109 B7R1.14 CC1(CCCN1)C PB25045 [0,1,0,0,0,0|2,0,1]=4 110 B5R0.1 B(CCC)(O)O AB08045 [0,0,1,0,0,0|1,0,1]=3 111 B5R0.1 C#CCC(=O)O AB11673 [0,0,1,0,0,0|0,0,2]=3 112 B5R0.1 C(CCl)C(=N)N AB30465 [0,0,1,0,0,0|3,0,0]=4 113 B5R0.1 C(CO)C(=N)N AB48909 [0,0,1,0,0,0|3,0,0]=4 114 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [0,0,1,0,0,0|2,0,1]=4 115 B5R0.1 C=C(CCCl)I MB13669 [0,0,1,0,0,0|3,0,0]=4 116 B5R0.1 CC(=O)\C=N\O AB00206 [0,0,1,0,0,0|3,0,0]=4 117 B5R0.2 C(CBr)N=C=O AB04619 [0,0,1,0,0,0|2,0,1]=4 118 B5R0.2 C(CC#N)CN AB52761 [0,0,1,0,0,0|2,0,1]=4 119 B5R0.2 C(CCl)N=C=O AB00198 [0,0,1,0,0,0|2,0,1]=4 120 B5R0.3 CCC(=N)NN AB56212 [0,0,1,0,0,0|3,0,0]=4 121 B5R0.3 CCC(=O)C=O AB21438 [0,0,1,0,0,0|2,0,0]=3 122 B5R0.3 CCC(=O)NN PB26058 [0,0,1,0,0,0|2,0,0]=3 123 B5R0.3 COC(=O)CN AB01112 [0,0,1,0,0,0|1,0,0]=2 124 B7R2.13 C1CNC2C1C2 PB29591 [0,0,0,1,0,0|2,0,1]=4 125 B5R1.2 C1C(=O)CN1 PB32275 [0,0,0,0,1,0|1,0,0]=2 126 B5R1.2 C1C(=O)CO1 PB20352 [0,0,0,0,1,0|1,0,0]=2 127 B5R1.2 C1C(=O)CS1 PB29880 [0,0,0,0,1,0|1,0,0]=2 128 B5R1.2 C1C(CN1)N PB22346 [0,0,0,0,1,0|2,0,1]=4 129 B5R1.2 C1C(CN1)O PB18565 [0,0,0,0,1,0|1,0,2]=4 130 B5R1.2 C1C(CN1)S PB18372 [0,0,0,0,1,0|1,1,1]=4 131 B5R1.2 C1C(CO1)Br PB32639 [0,0,0,0,1,0|2,0,1]=4 132 B5R1.2 C1C(CO1)Cl PB33445 [0,0,0,0,1,0|2,0,1]=4 133 B5R1.2 C1C(CO1)F AB71732 [0,0,0,0,1,0|2,0,1]=4 134 B5R1.2 C1C(CO1)I PB20276 [0,0,0,0,1,0|2,0,1]=4 135 B5R1.2 C1C(CO1)N MB07029 [0,0,0,0,1,0|2,0,1]=4 136 B5R1.2 C1C(CO1)N PB31297 [0,0,0,0,1,0|2,0,1]=4 137 B5R1.2 C1C(CO1)O PB25111 [0,0,0,0,1,0|1,0,2]=4 138 B5R1.2 C1C(CO1)S PB31940 [0,0,0,0,1,0|1,1,1]=4 139 B5R1.2 C1C(CS1)N PB11400 [0,0,0,0,1,0|2,0,1]=4 140 B5R1.2 CC1CNC1 PB16157 [0,0,0,0,1,0|2,0,1]=4 141 B7R1.3 C1CC(=O)CNC1 AB27650 [0,0,0,0,0,1|1,0,0]=2 142 B7R1.3 C1CC(=O)CNC1 PB26241 [0,0,0,0,0,1|1,0,0]=2 143 B7R1.3 C1CC(=O)COC1 PB27461 [0,0,0,0,0,1|0,0,0]=1 144 B7R1.3 C1CC(=O)CSC1 PB28980 [0,0,0,0,0,1|0,1,0]=2 145 B7R1.3 C1CC(CNC1)F PB33693 [0,0,0,0,0,1|2,0,1]=4 146 B7R1.3 C1CC(CNC1)O PB27381 [0,0,0,0,0,1|1,0,2]=4 147 B7R1.3 C1CC(CNC1)S PB34789 [0,0,0,0,0,1|1,1,1]=4 148 B7R1.3 C1CC(COC1)Br MB04535 [0,0,0,0,0,1|1,0,1]=3 149 B7R1.3 C1CC(COC1)N PB30901 [0,0,0,0,0,1|1,0,1]=3 150 B7R1.3 C1CC(COC1)O PB32182 [0,0,0,0,0,1|0,0,2]=3 151 B7R1.3 C1CCNC(C1)O MB03551 [0,0,0,0,0,1|1,0,2]=4 152 B7R1.3 C1CCO[C@@H](C1)N MB06981 [0,0,0,0,0,1|1,0,1]=3 153 B7R1.3 C1CCO[C@H](C1)N MB06978 [0,0,0,0,0,1|1,0,1]=3 154 B7R1.3 C1CNC(=O)CN1 PB23229 [0,0,0,0,0,1|1,0,0]=2 155 B7R1.3 C1CNCCC1=O PB32095 [0,0,0,0,0,1|1,0,0]=2 156 B7R1.3 C1CNCCC1Cl AB14164 [0,0,0,0,0,1|2,0,1]=4 157 B7R1.3 C1CNCCC1F AB13264 [0,0,0,0,0,1|2,0,1]=4 158 B7R1.3 C1CNCCC1F PB24811 [0,0,0,0,0,1|2,0,1]=4 159 B7R1.3 C1CNCCC1N AB11093 [0,0,0,0,0,1|2,0,1]=4 160 B7R1.3 C1CNCCC1S PB26690 [0,0,0,0,0,1|1,1,1]=4 161 B7R1.3 C1COC(=O)CN1 AB71646 [0,0,0,0,0,1|0,0,0]=1 162 B7R1.3 C1COC(CN1)O CB11808 [0,0,0,0,0,1|0,0,2]=3 163 B7R1.3 C1COCC(=O)N1 PB29100 [0,0,0,0,0,1|1,0,0]=2 164 B7R1.3 C1COCC(=S)N1 AB72718 [0,0,0,0,0,1|1,1,0]=3 165 B7R1.3 C1COCC=C1I AB69543 [0,0,0,0,0,1|2,0,0]=3 166 B7R1.3 C1COCCC1=O PB24536 [0,0,0,0,0,1|1,0,0]=2 167 B7R1.3 C1COCCC1Br PB24975 [0,0,0,0,0,1|2,0,1]=4 168 B7R1.3 C1COCCC1Cl AB02848 [0,0,0,0,0,1|2,0,1]=4 169 B7R1.3 C1COCCC1I PB13042 [0,0,0,0,0,1|2,0,1]=4 170 B7R1.3 C1COCCC1N AB11128 [0,0,0,0,0,1|2,0,1]=4 171 B7R1.3 C1COCCC1N PB27421 [0,0,0,0,0,1|2,0,1]=4 172 B7R1.3 C1COCCC1O PB11583 [0,0,0,0,0,1|1,0,2]=4 173 B7R1.3 C1CSCCC1=O PB25896 [0,0,0,0,0,1|1,0,0]=2 174 B7R1.3 C1CSCCC1N AB32569 [0,0,0,0,0,1|2,0,1]=4 175 B7R1.3 C1C[C@@H](CNC1)F PB24269 [0,0,0,0,0,1|2,0,1]=4 176 B7R1.3 C1C[C@@H](CNC1)N AB15031 [0,0,0,0,0,1|2,0,1]=4 177 B7R1.3 C1C[C@@H](CNC1)O PB26394 [0,0,0,0,0,1|1,0,2]=4 178 B7R1.3 C1C[C@H](CNC1)F PB38654 [0,0,0,0,0,1|2,0,1]=4 179 B7R1.3 C1C[C@H](CNC1)N AB29962 [0,0,0,0,0,1|2,0,1]=4 180 B7R1.3 C1C[C@H](CNC1)O PB20930 [0,0,0,0,0,1|1,0,2]=4 181 B7R1.3 C1C[C@H](CNC1)O PB25197 [0,0,0,0,0,1|1,0,2]=4 182 B7R1.3 CC1CCCNC1 AB00557 [0,0,0,0,0,1|2,0,1]=4 183 B7R1.3 CC1CNCCO1 PB23610 [0,0,0,0,0,1|1,0,1]=3 184 B7R1.3 CC1COCCN1 AB49614 [0,0,0,0,0,1|2,0,1]=4 185 B7R1.3 C[C@@H]1CNCCN1 AB04653 [0,0,0,0,0,1|2,0,1]=4 186 B7R1.3 C[C@@H]1CNCCO1 PB14859 [0,0,0,0,0,1|1,0,1]=3 187 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,0,0,0,0,1|2,0,1]=4 188 B7R1.3 C[C@H]1CNCCN1 AB04288 [0,0,0,0,0,1|2,0,1]=4 189 B7R1.3 C[C@H]1CNCCN1 AB14223 [0,0,0,0,0,1|2,0,1]=4 190 B7R1.3 C[C@H]1CNCCN1 AB63406 [0,0,0,0,0,1|2,0,1]=4 191 B7R1.3 C[C@H]1CNCCO1 PB26597 [0,0,0,0,0,1|1,0,1]=3 192 B7R1.3 C[C@H]1COCCN1 AB16412 [0,0,0,0,0,1|2,0,1]=4 193 B4R0.1 B(CC)(O)O AB08033 [1,0,1,0,0,0|1,0,1]=4 194 B4R0.1 CC(=O)C=O AB00820 [1,0,1,0,0,0|1,0,1]=4 195 B4R0.1 CC(=O)NN AB00888 [1,0,1,0,0,0|2,0,0]=4 196 B4R0.1 CC(=O)NO AB01014 [1,0,1,0,0,0|2,0,0]=4 197 B4R0.1 CCC(=N)N AB07703 [1,0,1,0,0,0|2,0,0]=4 198 B4R0.1 C\C=C(/C)\Br AB00105 [1,0,1,0,0,0|1,0,1]=4 199 B4R0.2 C(CN)CCl AB06220 [1,0,1,0,0,0|2,0,0]=4 200 B4R0.2 C=CCCBr AB00123 [1,0,1,0,0,0|1,0,1]=4 201 B4R0.2 C=CCCN AB14698 [1,0,1,0,0,0|1,0,1]=4 202 B4R0.2 C=CCCO AB00288 [1,0,1,0,0,0|0,0,1]=3 203 B6R0.1 CCCC(=N)NN AB56218 [0,1,1,0,0,0|2,0,0]=4 204 B6R0.1 CCNC(=O)C=C CB10170 [0,1,1,0,0,0|1,0,1]=4 205 B6R0.1 CCOC(=N)CCl AB60917 [0,1,1,0,0,0|1,0,0]=3 206 B6R0.1 CCOC(=N)CO AB60920 [0,1,1,0,0,0|1,0,0]=3 207 B6R0.1 CCOC(=O)C#N PB24520 [0,1,1,0,0,0|0,0,1]=3 208 B6R0.1 COC(=N)CCCl AB61008 [0,1,1,0,0,0|2,0,0]=4 209 B6R0.1 COC(=O)CC#C AB11822 [0,1,1,0,0,0|0,0,2]=4 210 B6R0.2 B(CC(C)C)(O)O AB03722 [0,1,1,0,0,0|1,0,1]=4 211 B6R0.2 CC(C)CC(=N)N AB60903 [0,1,1,0,0,0|2,0,0]=4 212 B6R0.2 CC(C)CC(=S)N AB52630 [0,1,1,0,0,0|1,1,0]=4 213 B6R0.2 CC(C)O[N+](=O)[O-] AB00827 [0,1,1,0,0,0|2,0,0]=4 214 B6R0.3 B(C(C)CC)(O)O AB25482 [0,1,1,0,0,0|1,0,1]=4 215 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [0,1,1,0,0,0|1,0,0]=3 216 B6R0.3 CC(CN)C(=O)O AB00933 [0,1,1,0,0,0|1,0,0]=3 217 B6R0.3 CCC(C(=O)O)N AB00928 [0,1,1,0,0,0|0,0,0]=2 218 B6R0.3 CCN(C)C(=O)Cl MB05193 [0,1,1,0,0,0|2,0,0]=4 219 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,1,1,0,0,0|1,0,0]=3 220 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,1,1,0,0,0|1,0,0]=3 221 B6R0.4 C#CCCC(=O)O CB10019 [0,1,1,0,0,0|0,0,1]=3 222 B6R0.4 C=C(CCCCl)I MB13670 [0,1,1,0,0,0|2,0,0]=4 223 B6R0.4 CC(=O)\C=C\OC AB00959 [0,1,1,0,0,0|1,0,1]=4 224 B6R0.6 COCCCON MB19791 [0,1,1,0,0,0|2,0,0]=4 225 B6R0.6 COCCN=C=O AB50988 [0,1,1,0,0,0|1,0,1]=4 226 B6R1.5 C1C(CC1=O)Br PB30412 [0,1,0,0,1,0|0,0,0]=2 227 B6R1.5 C1C(CC1=O)F PB36975 [0,1,0,0,1,0|0,0,0]=2 228 B6R1.5 C1C(CC1=O)N PB20766 [0,1,0,0,1,0|0,0,0]=2 229 B6R1.5 C1C(CC1F)N PB22829 [0,1,0,0,1,0|1,0,1]=4 230 B6R1.5 C1C(CC1F)N PB31217 [0,1,0,0,1,0|1,0,1]=4 231 B6R1.5 C1C(CC1N)N PB10638 [0,1,0,0,1,0|1,0,1]=4 232 B6R1.5 C1C(CC1O)N PB17577 [0,1,0,0,1,0|0,0,2]=4 233 B6R1.5 C1[C@@H](C[C@@H]1N)F PB35807 [0,1,0,0,1,0|1,0,1]=4 234 B6R1.5 C1[C@@H](C[C@@H]1N)N PB39058 [0,1,0,0,1,0|1,0,1]=4 235 B6R1.5 C1[C@@H](C[C@@H]1N)O PB10634 [0,1,0,0,1,0|0,0,2]=4 236 B6R1.5 C1[C@@H](C[C@@H]1N)O PB11282 [0,1,0,0,1,0|0,0,2]=4 237 B6R1.5 C1[C@@H](C[C@@H]1O)F PB37280 [0,1,0,0,1,0|0,0,2]=4 238 B6R1.5 C1[C@@H](C[C@H]1N)F PB37634 [0,1,0,0,1,0|1,0,1]=4 239 B6R1.5 C1[C@@H](C[C@H]1N)N PB38862 [0,1,0,0,1,0|1,0,1]=4 240 B6R1.5 C1[C@@H](C[C@H]1N)O PB14636 [0,1,0,0,1,0|0,0,2]=4 241 B6R1.5 C1[C@@H](C[C@H]1N)O PB19576 [0,1,0,0,1,0|0,0,2]=4 242 B6R1.5 C1[C@@H](C[C@H]1O)F PB27240 [0,1,0,0,1,0|0,0,2]=4 243 B6R1.5 CN1CC(C1)N PB23920 [0,1,0,0,1,0|2,0,0]=4 244 B6R1.5 CN1CC(C1)O PB30133 [0,1,0,0,1,0|2,0,0]=4 245 B6R1.6 C1C(CO1)C=O AB76630 [0,1,0,0,1,0|1,0,1]=4 246 B6R1.6 C1CC(C1)CN PB27388 [0,1,0,0,1,0|1,0,1]=4 247 B6R1.6 C1COC1CBr PB10565 [0,1,0,0,1,0|1,0,1]=4 248 B6R1.6 C1COC1CI PB32950 [0,1,0,0,1,0|1,0,1]=4 249 B6R1.6 C1COC1CN PB12865 [0,1,0,0,1,0|1,0,1]=4 250 B6R1.6 C1COC1CO PB20918 [0,1,0,0,1,0|0,0,2]=4 251 B6R1.10 C1CS(=O)(=O)C1 CB10217 [0,1,0,0,1,0|1,0,0]=3 252 B8R1.2 C#CC1CCCOC1 PB11321 [0,1,0,0,0,1|1,0,1]=4 253 B8R1.2 C#CC1COCCO1 AB73245 [0,1,0,0,0,1|1,0,1]=4 254 B8R1.2 C1CC(COC1)C=O AB16155 [0,1,0,0,0,1|0,0,1]=3 255 B8R1.2 C1CC(COC1)CBr PB14565 [0,1,0,0,0,1|1,0,1]=4 256 B8R1.2 C1CC(COC1)CN PB23481 [0,1,0,0,0,1|1,0,1]=4 257 B8R1.2 C1CC(COC1)CO PB12514 [0,1,0,0,0,1|0,0,2]=4 258 B8R1.2 C1CC(OC=C1)C=O PB24581 [0,1,0,0,0,1|0,0,2]=4 259 B8R1.2 C1CCC(=CC1)CBr PB28658 [0,1,0,0,0,1|2,0,0]=4 260 B8R1.2 C1CCNC(C1)C=O AB52540 [0,1,0,0,0,1|1,0,1]=4 261 B8R1.2 C1CCOC(C1)C=O MB05934 [0,1,0,0,0,1|0,0,1]=3 262 B8R1.2 C1CCOC(C1)CBr MB00206 [0,1,0,0,0,1|1,0,1]=4 263 B8R1.2 C1CCOC(C1)CN AB28292 [0,1,0,0,0,1|1,0,1]=4 264 B8R1.2 C1CCOC(C1)CO AB00784 [0,1,0,0,0,1|0,0,2]=4 265 B8R1.2 C1CNCCC1C=O AB52543 [0,1,0,0,0,1|1,0,1]=4 266 B8R1.2 C1COC(CN1)C#N MB01840 [0,1,0,0,0,1|1,0,1]=4 267 B8R1.2 C1COC(CN1)CN PB15765 [0,1,0,0,0,1|1,0,1]=4 268 B8R1.2 C1COC(CO1)CCl AB10617 [0,1,0,0,0,1|1,0,1]=4 269 B8R1.2 C1COC(CO1)CN AB10620 [0,1,0,0,0,1|1,0,1]=4 270 B8R1.2 C1COCCC1=NO AB55822 [0,1,0,0,0,1|1,0,1]=4 271 B8R1.2 C1COCCC1C=O AB14645 [0,1,0,0,0,1|1,0,1]=4 272 B8R1.2 C1CSCCC1C=O AB14650 [0,1,0,0,0,1|1,0,1]=4 273 B8R1.2 CCC1CNCCO1 AB49621 [0,1,0,0,0,1|1,0,1]=4 274 B8R1.2 COC1=CCOCC1 PB24535 [0,1,0,0,0,1|1,0,1]=4 275 B8R1.3 C1C(OCC(O1)O)O PB11588 [0,1,0,0,0,1|0,0,2]=4 276 B8R1.3 C1CC(=O)CCC1N AB26267 [0,1,0,0,0,1|1,0,0]=3 277 B8R1.3 C1CC(=O)NCC1N PB22229 [0,1,0,0,0,1|1,0,0]=3 278 B8R1.3 CC1CNC(=O)CN1 AB37204 [0,1,0,0,0,1|1,0,0]=3 279 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,1,0,0,0,1|1,0,0]=3 280 B8R1.3 CC1CNC(CO1)C AB55657 [0,1,0,0,0,1|1,0,1]=4 281 B8R1.3 CN1CCC(=CC1)I AB70135 [0,1,0,0,0,1|2,0,0]=4 282 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [0,1,0,0,0,1|1,0,0]=3 283 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [0,1,0,0,0,1|1,0,0]=3 284 B8R1.4 C1C(=O)COCC1=O PB14653 [0,1,0,0,0,1|0,0,1]=3 285 B8R1.4 C1C(=O)CSCC1=O PB15832 [0,1,0,0,0,1|0,1,1]=4 286 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [0,1,0,0,0,1|1,0,0]=3 287 B8R1.4 C1CNC(=O)CC1=O PB20308 [0,1,0,0,0,1|1,0,0]=3 288 B8R1.4 C1CNC(=O)CC1N PB11631 [0,1,0,0,0,1|1,0,0]=3 289 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,1,0,0,0,1|1,0,0]=3 290 B8R1.4 C1CNC(=O)OC1=O AB27597 [0,1,0,0,0,1|0,0,1]=3 291 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,1,0,0,0,1|1,0,0]=3 292 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,1,0,0,0,1|1,0,0]=3 293 B8R1.4 CC1CC(CCO1)O PB22789 [0,1,0,0,0,1|1,0,1]=4 294 B8R1.4 CC1CNCC(=O)N1 AB37299 [0,1,0,0,0,1|1,0,0]=3 295 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,1,0,0,0,1|1,0,0]=3 296 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,1,0,0,0,1|1,0,0]=3 297 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [0,1,0,0,0,1|1,0,0]=3 298 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PB30593 [0,1,0,0,0,1|1,0,1]=4 299 B8R1.4 C[C@@H]1CNC[C@H](O1)C AB85737 [0,1,0,0,0,1|1,0,1]=4 300 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,1,0,0,0,1|1,0,0]=3 301 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [0,1,0,0,0,1|1,0,0]=3 302 B8R1.4 C[C@H]1CNC[C@@H](O1)C AB85738 [0,1,0,0,0,1|1,0,1]=4 303 B8R1.4 C[C@H]1CNC[C@@H](O1)C PB23755 [0,1,0,0,0,1|1,0,1]=4 304 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,1,0,0,0,1|1,0,0]=3 305 B8R1.5 C1CNCC(C1=O)F PB20587 [0,1,0,0,0,1|1,0,0]=3 306 B8R1.5 C1COCC(C1=O)Br PB18064 [0,1,0,0,0,1|1,0,0]=3 307 B8R1.5 C1COCC(C1=O)F PB28362 [0,1,0,0,0,1|1,0,0]=3 308 B8R1.5 C1COC[C@@H]([C@@H]1N)O PB28882 [0,1,0,0,0,1|0,0,2]=4 309 B8R1.5 C1COC[C@@H]([C@H]1N)O PB24500 [0,1,0,0,0,1|0,0,2]=4 310 B8R1.5 C1COC[C@@H]([C@H]1O)N PB22997 [0,1,0,0,0,1|1,0,1]=4 311 B8R1.5 C1COC[C@H]([C@@H]1O)N PB31273 [0,1,0,0,0,1|1,0,1]=4 312 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [0,1,0,0,0,1|1,0,0]=3 313 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [0,1,0,0,0,1|1,0,0]=3 314 B8R1.5 CC1C(=O)NCCN1 AB04135 [0,1,0,0,0,1|1,0,0]=3 315 B8R1.5 CC1C(=O)NCCO1 AB71412 [0,1,0,0,0,1|1,0,0]=3 316 B8R1.5 CC1C(OCCN1)C AB72725 [0,1,0,0,0,1|1,0,1]=4 317 B8R1.5 CC1CCNCC1=O PB36769 [0,1,0,0,0,1|1,0,0]=3 318 B8R1.5 CC1CNCCC1=O PB23474 [0,1,0,0,0,1|1,0,0]=3 319 B8R1.5 CC1COCCC1=O PB26907 [0,1,0,0,0,1|1,0,0]=3 320 B8R1.5 CN1CCNCC1=O PB24934 [0,1,0,0,0,1|1,0,0]=3 321 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [0,1,0,0,0,1|1,0,0]=3 322 B8R1.5 C[C@@H]1COCC[C@H]1N PB28883 [0,1,0,0,0,1|1,0,1]=4 323 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [0,1,0,0,0,1|1,0,0]=3 324 B8R1.5 C[C@H]1COCC[C@H]1N PB19784 [0,1,0,0,0,1|1,0,1]=4 325 B8R1.72 C1CCS(=O)(=O)NC1 AB17207 [0,1,0,0,0,1|2,0,0]=4 326 B8R1.72 C1COCS(=O)(=O)N1 PB13109 [0,1,0,0,0,1|2,0,0]=4 327 B8R1.72 C1CS(=O)(=O)CCN1 PB18693 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.72 C1CS(=O)(=O)CCN1 PB21955 [0,1,0,0,0,1|2,0,0]=4 329 B8R1.72 CC1(CNCCO1)C AB51044 [0,1,0,0,0,1|1,0,1]=4 330 B8R1.1 C1C(CNC1=O)CN PB10686 [0,2,0,0,0,0|1,0,0]=3 331 B8R1.1 C1C(CNC1=O)CO PB26709 [0,2,0,0,0,0|1,0,0]=3 332 B8R1.1 C1CC(=O)NC1CN AB28123 [0,2,0,0,0,0|1,0,0]=3 333 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [0,2,0,0,0,0|1,0,0]=3 334 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [0,2,0,0,0,0|1,0,0]=3 335 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [0,2,0,0,0,0|1,0,0]=3 336 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [0,2,0,0,0,0|1,0,0]=3 337 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [0,2,0,0,0,0|1,0,0]=3 338 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [0,2,0,0,0,0|1,0,0]=3 339 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [0,2,0,0,0,0|0,0,0]=2 340 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [0,2,0,0,0,0|1,0,0]=3 341 B8R1.1 C1[C@H](COC1=O)CF MB19704 [0,2,0,0,0,0|0,0,0]=2 342 B8R1.7 B(C1=CCCC1)(O)O AB11270 [0,2,0,0,0,0|1,0,1]=4 343 B8R1.7 C1CCC(C1)C(=O)O AB00138 [0,2,0,0,0,0|1,0,1]=4 344 B8R1.7 C1COC=C1C(=O)O PB26262 [0,2,0,0,0,0|2,0,0]=4 345 B8R1.7 C1CON=C1[N+](=O)[O-] MB10652 [0,2,0,0,0,0|2,0,0]=4 346 B8R1.7 C1C[C@@H](NC1)C(=O)N AB04106 [0,2,0,0,0,0|1,0,1]=4 347 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [0,2,0,0,0,0|1,0,1]=4 348 B8R1.7 C1C[C@H](NC1)C(=O)N AB00394 [0,2,0,0,0,0|1,0,1]=4 349 B8R1.8 C1CC(OC1)CC#N MB02666 [0,2,0,0,0,0|1,0,1]=4 350 B8R1.8 C1CC(OC1)CC=O AB76318 [0,2,0,0,0,0|0,0,1]=3 351 B8R1.8 C1CC(OC1)CCI AB76593 [0,2,0,0,0,0|1,0,1]=4 352 B8R1.8 C1CC(OC1)CCN AB30605 [0,2,0,0,0,0|1,0,1]=4 353 B8R1.8 C1CCC(C1)N=C=O AB10807 [0,2,0,0,0,0|1,0,1]=4 354 B8R1.11 C1C(C(=O)CO1)C#N PB39082 [0,2,0,0,0,0|2,0,0]=4 355 B8R1.11 C1C(C(=O)CS1)C#N PB17090 [0,2,0,0,0,0|2,0,0]=4 356 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [0,2,0,0,0,0|1,0,1]=4 357 B8R1.52 CC1(CCCO1)CN PB14687 [0,2,0,0,0,0|1,0,1]=4 358 B8R1.18 CC1C(=O)NC(=O)O1 AB26261 [0,2,0,0,0,0|1,0,1]=4 359 B8R1.18 CN1CC(CC1=O)N PB22380 [0,2,0,0,0,0|1,0,0]=3 360 B8R1.50 C1CC(=O)N(C1=O)O AB00437 [0,2,0,0,0,0|1,0,1]=4 361 B8R1.50 C1CN(C(=O)C1N)O AB02803 [0,2,0,0,0,0|1,0,0]=3 362 B8R1.51 C1C=C(CC1(F)F)I AB85516 [0,2,0,0,0,0|2,0,0]=4 363 B8R1.51 C1CC(CC1=O)(F)F AB71425 [0,2,0,0,0,0|1,0,0]=3 364 B8R1.51 C1CS(=O)(=O)CC1N PB12042 [0,2,0,0,0,0|2,0,0]=4 365 B8R1.51 CC1(COC(=O)N1)C PB29297 [0,2,0,0,0,0|1,0,0]=3 366 B6R1.11 B(C1CC1)(O)O AB17174 [0,0,1,1,0,0|1,0,1]=4 367 B6R1.11 C1CC1C(=S)N AB50595 [0,0,1,1,0,0|1,1,0]=4 368 B8R2.34 C1[C@@H]2CN[C@H]1CO2 AB63562 [0,0,0,1,0,1|1,0,1]=4 369 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB19618 [0,0,0,1,0,1|1,0,1]=4 370 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB35087 [0,0,0,1,0,1|1,0,1]=4 371 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB11680 [0,0,0,1,0,1|1,0,1]=4 372 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB12929 [0,0,0,1,0,1|1,0,1]=4 373 B4R1.1 C1CNC1 PB33850 [1,0,0,0,1,0|1,0,0]=3 374 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,0,0,0,0,2|1,0,0]=3 375 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,0,0,0,0,2|0,0,0]=2 376 B8R1.22 C1CC(CCOC1)N AB70734 [0,0,0,0,0,2|1,0,1]=4 377 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,0,0,0,0,2|1,0,0]=3 378 B8R1.22 C1CNCCNC1=O AB07054 [0,0,0,0,0,2|1,0,0]=3