0 B6R0.1 CCNC(=O)C=C CB10170 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 CCOC(=N)CCl AB60917 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCOC(=N)CO AB60920 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCOC(=O)C#N PB24520 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CNC(=O)CC#N AB03253 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 COC(=O)CC#C AB11822 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.1 COC(=O)\C=C\N AB31601 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 C\C(=C\OC)\C#N AB65880 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 B(\C=C\C)(O)O AB11274 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CC(=O)\C=N\O AB00206 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.3 CCC(=N)NN AB56212 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.3 CCC(=O)C=O AB21438 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.3 CCC(=O)NN PB26058 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.3 COC(=O)CN AB01112 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.2 C\C(=C/C(=O)OC)\N AB00926 [0,1,0,0,0,0|1,0,0]=2 15 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.3 COC(=O)CCC=C AB16906 [0,1,0,0,0,0|1,0,2]=4 17 B7R0.3 COC(=O)CCCO AB65249 [0,1,0,0,0,0|1,0,2]=4 18 B7R0.5 CC(C)C(=O)CC#N AB22304 [0,1,0,0,0,0|1,0,2]=4 19 B7R0.7 CCOC(=O)C#CC AB01182 [0,1,0,0,0,0|0,0,2]=3 20 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [0,1,0,0,0,0|1,0,2]=4 21 B7R0.7 CCOC(=O)N=C=S AB00381 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.7 COCC(=O)CC#N AB63823 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.10 CCC(C(=O)OC)N AB16757 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.12 CC\C(=C/OC)\C#N AB77029 [0,1,0,0,0,0|2,0,0]=3 25 B7R1.1 C1C=NC(=N1)CN PB21839 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.1 C1C=NC(=N1)CO AB23143 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.1 C1CC=C(C1)CBr PB30182 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.1 CCC1=CN=CC1 AB31265 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.1 CCC1=NN=CC1 AB65715 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.1 c1cc(oc1)CCl MB06568 [0,0,0,1,0,0|1,0,2]=4 31 B7R1.1 c1cc(sc1)CN PB17027 [0,0,0,1,0,0|1,1,1]=4 32 B7R1.1 c1cc(sc1)CO PB10001 [0,0,0,1,0,0|1,1,1]=4 33 B7R1.1 c1cnoc1CN AB27950 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.1 c1cnoc1CN AB27954 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.1 c1cnoc1CO AB28102 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.1 c1cnsc1CCl AB70841 [0,0,0,1,0,0|2,1,0]=4 37 B7R1.1 c1cnsc1CN AB70840 [0,0,0,1,0,0|2,1,0]=4 38 B7R1.1 c1conc1CCl MB04274 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.1 c1conc1CN PB24935 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.1 c1conc1CO PB15902 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.1 c1cscc1CN AB13999 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.1 c1cscc1CN PB12237 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.1 c1cscc1CO PB10036 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.1 c1csnc1CN PB23687 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.2 C1C(=CC(=O)N1)Br CB11702 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.2 C1C(=O)N=C(N1)N AB60588 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.2 CC1=NC(=NC1)Br AB26590 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.2 CC1=NC(=NC1)Cl AB53096 [0,0,0,1,0,0|3,0,0]=4 49 B7R1.2 CC1=NC(=NC1)N AB27175 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.2 CC1=NC(=NC1)N AB27178 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.2 CC1=NC(=O)N=C1 AB05017 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.2 CN1CCC(=O)C1 PB26542 [0,0,0,1,0,0|1,0,1]=3 53 B7R1.2 Cc1cc(cs1)Br AB20690 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.2 Cc1cc(no1)N PB28932 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.2 Cc1cc(on1)N MB00134 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.2 Cc1cc(sc1)C CB10250 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.3 C1CC(=O)CNC1 AB27650 [0,0,0,1,0,0|1,0,1]=3 58 B7R1.3 C1CC(=O)CNC1 PB26241 [0,0,0,1,0,0|1,0,1]=3 59 B7R1.3 C1CC(=O)COC1 PB27461 [0,0,0,1,0,0|1,0,1]=3 60 B7R1.3 C1CC(=O)CSC1 PB28980 [0,0,0,1,0,0|1,0,1]=3 61 B7R1.3 C1CNC(=O)CN1 PB23229 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.3 C1CNCCC1=O PB32095 [0,0,0,1,0,0|1,0,2]=4 63 B7R1.3 C1COC(=O)CN1 AB71646 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.3 C1COCC(=O)N1 PB29100 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.3 C1COCC=C1I AB69543 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.3 C1COCCC1=O PB24536 [0,0,0,1,0,0|1,0,2]=4 67 B7R1.3 C1CSCCC1=O PB25896 [0,0,0,1,0,0|1,0,2]=4 68 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.4 CC1=C(C=NC1)C PB27606 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.4 CC1C(=NC=N1)C AB09621 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.4 Cc1c(cco1)N AB71442 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.4 Cn1c(ccn1)N PB33809 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.6 COC=C1COC1 AB76192 [0,0,0,1,0,0|3,0,0]=4 77 B7R1.8 C1CC(=O)C1CO PB37542 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.22 C1CC1C(=O)CBr AB45693 [0,0,0,1,0,0|1,0,2]=4 79 B4R0.1 C=C(CBr)I MB13667 [2,0,0,0,0,0|2,0,0]=4 80 B4R0.1 C=C[N+](=O)[O-] CB10433 [2,0,0,0,0,0|2,0,0]=4 81 B4R0.1 CC(=O)C=O AB00820 [2,0,0,0,0,0|1,0,0]=3 82 B4R0.1 CC(=O)NN AB00888 [2,0,0,0,0,0|2,0,0]=4 83 B4R0.1 CC(=O)NO AB01014 [2,0,0,0,0,0|2,0,0]=4 84 B4R0.1 CCC(=N)N AB07703 [2,0,0,0,0,0|2,0,0]=4 85 B4R0.1 C\C=C(/C)\Br AB00105 [2,0,0,0,0,0|1,0,0]=3 86 B4R0.2 C=CCCBr AB00123 [2,0,0,0,0,0|1,0,1]=4 87 B4R0.2 C=CCCN AB14698 [2,0,0,0,0,0|1,0,1]=4 88 B4R0.2 C=CCCO AB00288 [2,0,0,0,0,0|1,0,1]=4 89 B6R0.2 CC(=O)NC(=N)N AB02893 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.4 CC(=O)\C=C\OC AB00959 [1,1,0,0,0,0|0,0,0]=2 91 B8R0.5 CCOC(=O)CC(=N)N AB29705 [0,2,0,0,0,0|1,0,1]=4 92 B8R0.5 CCOC(=O)CC(=O)O AB01280 [0,2,0,0,0,0|1,0,1]=4 93 B8R0.5 CCOC(=O)CC(=O)[O-] AB01563 [0,2,0,0,0,0|1,0,1]=4 94 B8R0.5 CCOC(=O)CC(F)F AB71794 [0,2,0,0,0,0|1,0,1]=4 95 B8R0.3 CCOC(=O)[C@H](CO)N AB46080 [0,2,0,0,0,0|1,0,1]=4 96 B8R0.9 B(\C=C\C(=O)OC)(O)O AB23136 [0,2,0,0,0,0|2,0,0]=4 97 B8R0.9 CC(=O)NNC(=O)CCl AB16929 [0,2,0,0,0,0|2,0,0]=4 98 B6R1.2 C1CNCC1=O PB21807 [1,0,0,1,0,0|1,0,1]=4 99 B6R1.2 C1COCC1=O PB17440 [1,0,0,1,0,0|1,0,1]=4 100 B6R1.2 C1CONC1=O MB10654 [1,0,0,1,0,0|2,0,0]=4 101 B6R1.2 CC1=CCCO1 AB00300 [1,0,0,1,0,0|0,0,2]=4 102 B6R1.2 Cc1ccon1 AB01288 [1,0,0,1,0,0|2,0,0]=4 103 B6R1.1 C1CNCC=C1 PB15670 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.1 C1CC(=O)NC1CN AB28123 [0,1,0,1,0,0|1,0,1]=4 105 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [0,1,0,1,0,0|1,0,1]=4 106 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [0,1,0,1,0,0|1,0,1]=4 107 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [0,1,0,1,0,0|1,0,1]=4 109 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.1 CC1=NC(=CC1)C=O AB43978 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.1 CC1=NC(=NC1)C=O AB22828 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.1 CCc1[nH]c(cn1)Cl AB45181 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.1 CCc1cnc(o1)N AB64704 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.1 COC1=CC(=O)NC1 AB02829 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.1 Cc1[nH]c(cn1)CCl AB57911 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.1 Cc1[nH]c(cn1)CN AB57919 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.1 Cc1[nH]c(cn1)CO AB57908 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.1 Cc1cc(no1)CN AB06189 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.1 Cc1cc(oc1)CN PB24200 [0,1,0,1,0,0|1,0,1]=4 120 B8R1.1 Cc1cc(on1)C=O CB11269 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.1 Cc1cc(on1)CCl AB42093 [0,1,0,1,0,0|1,0,1]=4 122 B8R1.1 Cc1cc(on1)CN AB28053 [0,1,0,1,0,0|1,0,1]=4 123 B8R1.1 Cc1cc(sc1)CCl AB72607 [0,1,0,1,0,0|1,1,0]=4 124 B8R1.1 Cc1cc(sc1)CN AB25763 [0,1,0,1,0,0|1,1,0]=4 125 B8R1.1 Cc1ccc(s1)CCl AB50993 [0,1,0,1,0,0|1,1,0]=4 126 B8R1.1 Cc1ccc(s1)CN AB07827 [0,1,0,1,0,0|1,1,0]=4 127 B8R1.1 Cc1cnc(o1)CO AB63479 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.1 Cc1cnc(o1)NC AB65971 [0,1,0,1,0,0|1,0,1]=4 129 B8R1.1 Cc1cnc(s1)CCl AB43206 [0,1,0,1,0,0|1,1,0]=4 130 B8R1.1 Cc1cnc(s1)CN AB43201 [0,1,0,1,0,0|1,1,0]=4 131 B8R1.1 Cc1coc(n1)CCl AB70149 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.1 Cc1coc(n1)CN AB70147 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.1 Cc1coc(n1)NC AB65967 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.1 Cc1csc(n1)CCl AB43168 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.1 Cc1csc(n1)CN AB59755 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.1 Cc1csc(n1)CO AB44110 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.1 Cc1csc(n1)NC AB10516 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.1 Cc1nc(co1)CCl AB45871 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.1 Cc1nc(co1)CN AB54740 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.1 Cc1nc(co1)CO AB48508 [0,1,0,1,0,0|2,0,0]=4 141 B8R1.1 Cc1nc(cs1)CCl AB02129 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.1 Cc1nc(cs1)CN AB23320 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.1 Cc1ncc(o1)CCl AB70153 [0,1,0,1,0,0|1,0,1]=4 144 B8R1.1 Cc1ncc(o1)CN AB64071 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.1 Cn1ccc(c1)CN AB48514 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.1 Cn1ccc(c1)CO AB09760 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.1 Cn1ccc(n1)CBr AB27867 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.1 Cn1ccc(n1)CN PB29254 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.1 Cn1ccc(n1)CO PB20290 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.4 C1C(=O)COCC1=O PB14653 [0,1,0,1,0,0|1,0,1]=4 151 B8R1.4 C1C(=O)CSCC1=O PB15832 [0,1,0,1,0,0|1,0,1]=4 152 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [0,1,0,1,0,0|0,0,0]=2 153 B8R1.4 C1CNC(=O)CC1=O PB20308 [0,1,0,1,0,0|1,0,1]=4 154 B8R1.4 C1CNC(=O)CC1N PB11631 [0,1,0,1,0,0|1,0,1]=4 155 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.4 C1CNC(=O)OC1=O AB27597 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,1,0,1,0,0|0,0,2]=4 158 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,1,0,1,0,0|0,0,2]=4 159 B8R1.4 CC1CNCC(=O)N1 AB37299 [0,1,0,1,0,0|1,0,1]=4 160 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,1,0,1,0,0|0,0,2]=4 161 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,1,0,1,0,0|0,0,2]=4 162 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [0,1,0,1,0,0|1,0,1]=4 163 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,1,0,1,0,0|0,0,2]=4 164 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [0,1,0,1,0,0|1,0,1]=4 165 B8R1.18 CC1C(=NC(=N1)Cl)C AB54802 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.18 CC1C(=NC(=N1)N)C AB54790 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.18 CC1C(=O)NC(=O)O1 AB26261 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.18 Cc1cc(n(n1)C)Br PB11837 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.18 Cc1cc(n(n1)C)N AB02131 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.2 C1CCC(=CC1)CBr PB28658 [0,1,0,1,0,0|1,0,1]=4 171 B8R1.3 C1CC(=O)CCC1N AB26267 [0,1,0,1,0,0|0,0,2]=4 172 B8R1.3 C1CC(=O)NCC1N PB22229 [0,1,0,1,0,0|1,0,1]=4 173 B8R1.3 CN1CCC(=CC1)I AB70135 [0,1,0,1,0,0|1,0,1]=4 174 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [0,1,0,1,0,0|2,0,0]=4 175 B8R1.5 C1=NC(C(=O)N=C1)N AB51505 [0,1,0,1,0,0|2,0,0]=4 176 B8R1.5 C1CC=C(C(=C1)O)Cl AB31829 [0,1,0,1,0,0|0,0,2]=4 177 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,1,0,1,0,0|0,0,2]=4 178 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [0,1,0,1,0,0|1,0,1]=4 179 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [0,1,0,1,0,0|1,0,1]=4 180 B8R1.5 CC1C(=O)NCCN1 AB04135 [0,1,0,1,0,0|1,0,1]=4 181 B8R1.5 CC1C(=O)NCCO1 AB71412 [0,1,0,1,0,0|1,0,1]=4 182 B8R1.5 CC1C=CN=NC1=O PB32620 [0,1,0,1,0,0|1,0,1]=4 183 B8R1.5 CC1CCNCC1=O PB36769 [0,1,0,1,0,0|0,0,2]=4 184 B8R1.5 CC1CNCCC1=O PB23474 [0,1,0,1,0,0|0,0,2]=4 185 B8R1.5 CC1COCCC1=O PB26907 [0,1,0,1,0,0|0,0,2]=4 186 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [0,1,0,1,0,0|1,0,1]=4 187 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [0,1,0,1,0,0|1,0,1]=4 188 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,1,0,1,0,0|0,0,2]=4 189 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,1,0,1,0,0|0,0,2]=4 190 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,1,0,1,0,0|1,0,1]=4 191 B8R1.22 C1CNCCNC1=O AB07054 [0,1,0,1,0,0|1,0,1]=4 192 B8R1.50 C1CC(=O)N(C1=O)O AB00437 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.50 Cc1cnc(n1C)Br AB26586 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.50 Cc1ncc(n1C)Br AB26592 [0,1,0,1,0,0|2,0,0]=4 195 B8R1.7 CC(c1ccno1)N AB27932 [0,1,0,1,0,0|1,0,1]=4 196 B8R1.7 CC(c1ccoc1)N AB27902 [0,1,0,1,0,0|2,0,0]=4 197 B8R1.7 CC(c1ccoc1)N AB66830 [0,1,0,1,0,0|2,0,0]=4 198 B8R1.8 C1C=NC(=N1)CCN AB11463 [0,1,0,1,0,0|2,0,0]=4 199 B8R1.8 CNCc1cccs1 AB13997 [0,1,0,1,0,0|0,1,1]=4 200 B8R1.8 CNCc1ccno1 AB27949 [0,1,0,1,0,0|1,0,1]=4 201 B8R1.8 CNCc1ccon1 AB27911 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.8 CNCc1ccon1 AB27912 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.8 c1cc(sc1)CCN PB12982 [0,1,0,1,0,0|0,1,1]=4 204 B8R1.8 c1cc(sc1)CCO PB32074 [0,1,0,1,0,0|0,1,1]=4 205 B8R1.8 c1cscc1CCN PB24618 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.8 c1cscc1CCO PB25903 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [0,1,0,1,0,0|1,0,1]=4 208 B8R1.11 CC1=C(N=CC1)C=O AB01496 [0,1,0,1,0,0|1,0,1]=4 209 B8R1.11 CCn1c(ccn1)N PB15601 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.11 Cc1c(ccs1)C=O AB53893 [0,1,0,1,0,0|1,0,1]=4 211 B8R1.11 Cn1c(ccn1)C=O PB21218 [0,1,0,1,0,0|2,0,0]=4