0 B6R1.2 C1C(=O)N=CN1 CHEBI:51023 [0,0,0,0,0,0|3,0,1]=4 1 B6R1.2 C1C(=O)NC=N1 CHEBI:28470 [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 C1C=CC(=O)O1 CHEBI:38118 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 C=C1C=CC=C1 CHEBI:51999 [0,0,0,0,0,0|2,0,1]=3 4 B6R1.2 CC1=CCCO1 CHEBI:51677 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 CC1=COCC1 CHEBI:51678 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 CC1=NCCC1 CHEBI:78856 [0,0,0,0,0,0|3,0,1]=4 7 B6R1.2 CC1=NCCO1 CHEBI:53614 [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 CC1=[NH+]CCC1 CHEBI:78220 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 CC1COC=C1 CHEBI:51679 [0,0,0,0,0,0|2,0,2]=4 10 B6R1.2 C[C@@H]1COC=C1 CHEBI:51680 [0,0,0,0,0,0|2,0,2]=4 11 B6R1.2 C[N+]1=CCCC1 CHEBI:27435 [0,0,0,0,0,0|3,0,1]=4 12 B6R1.2 Cc1c[nH]cn1 CHEBI:40035 [0,0,0,0,0,0|2,0,0]=2 13 B6R1.2 Cc1c[nH]nc1 CHEBI:5141 [0,0,0,0,0,0|0,0,0]=0 14 B6R1.2 Cc1cccs1 CHEBI:35849 [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 Cc1ccsc1 CHEBI:37992 [0,0,0,0,0,0|2,0,0]=2 16 B6R1.2 Cc1cscn1 CHEBI:35626 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 Cn1cccn1 CHEBI:59025 [0,0,0,0,0,0|4,0,0]=4 18 B6R1.2 Cn1ccnc1 CHEBI:113454 [0,0,0,0,0,0|2,0,0]=2 19 B6R1.2 c1[nH]nc(n1)N CHEBI:40036 [0,0,0,0,0,0|4,0,0]=4 20 B6R1.2 c1c(cn[nH]1)I CHEBI:45260 [0,0,0,0,0,0|1,0,0]=1 21 B6R1.2 c1c(nc[nH]1)N CHEBI:16607 [0,0,0,0,0,0|3,0,0]=3 22 B6R1.2 c1c[nH]oc1=O CHEBI:76851 [0,0,0,0,0,0|3,0,0]=3 23 B6R1.2 c1ccs(=O)c1 CHEBI:36603 [0,0,0,0,0,0|4,0,0]=4 24 B6R1.2 c1cssc1=S CHEBI:50866 [0,0,0,0,0,0|4,0,0]=4 25 B5R1.1 C1=CN[C]N1 CHEBI:51379 [1,0,0,0,0,0|2,0,0]=3 26 B5R1.1 C1=C[CH+]C=C1 CHEBI:36771 [1,0,0,0,0,0|2,0,0]=3 27 B5R1.1 C1=C[CH]C=C1 CHEBI:36769 [1,0,0,0,0,0|2,0,0]=3 28 B5R1.1 C1=C[SiH2]C=C1 CHEBI:50588 [1,0,0,0,0,0|2,0,0]=3 29 B5R1.1 C1C=CC=C1 CHEBI:30664 [1,0,0,0,0,0|2,0,0]=3 30 B5R1.1 C1C=CC=N1 CHEBI:35558 [1,0,0,0,0,0|1,0,0]=2 31 B5R1.1 C1C=CC=P1 CHEBI:47850 [1,0,0,0,0,0|1,1,0]=3 32 B5R1.1 C1C=CC=[As]1 CHEBI:37178 [1,0,0,0,0,0|1,1,0]=3 33 B5R1.1 C1C=CC=[SiH]1 CHEBI:50592 [1,0,0,0,0,0|2,0,0]=3 34 B5R1.1 C1C=CCN1 CHEBI:20198 [1,0,0,0,0,0|1,0,1]=3 35 B5R1.1 C1C=CN=C1 CHEBI:35557 [1,0,0,0,0,0|1,0,1]=3 36 B5R1.1 C1C=CN=N1 CHEBI:38595 [1,0,0,0,0,0|0,0,2]=3 37 B5R1.1 C1C=CP=C1 CHEBI:47851 [1,0,0,0,0,0|1,1,1]=4 38 B5R1.1 C1C=C[As]=C1 CHEBI:37179 [1,0,0,0,0,0|1,1,1]=4 39 B5R1.1 C1C=C[SiH]=C1 CHEBI:50589 [1,0,0,0,0,0|2,0,1]=4 40 B5R1.1 C1C=NC=N1 CHEBI:51802 [1,0,0,0,0,0|2,0,0]=3 41 B5R1.1 C1C=NN=C1 CHEBI:38599 [1,0,0,0,0,0|0,0,2]=3 42 B5R1.1 C1C=NN=N1 CHEBI:35567 [1,0,0,0,0,0|1,0,2]=4 43 B5R1.1 C1CC=CC1 CHEBI:49155 [1,0,0,0,0,0|2,0,1]=4 44 B5R1.1 C1CC=NC1 CHEBI:19092 [1,0,0,0,0,0|1,0,2]=4 45 B5R1.1 C1CN=CN1 CHEBI:53094 [1,0,0,0,0,0|2,0,1]=4 46 B5R1.1 C1CN=NN1 CHEBI:51258 [1,0,0,0,0,0|1,0,2]=4 47 B5R1.1 C1CNC=C1 CHEBI:32986 [1,0,0,0,0,0|1,0,1]=3 48 B5R1.1 C1COC=C1 CHEBI:51662 [1,0,0,0,0,0|2,0,1]=4 49 B5R1.1 C1N=CN=N1 CHEBI:35561 [1,0,0,0,0,0|1,0,2]=4 50 B5R1.1 C1NNC=N1 CHEBI:51259 [1,0,0,0,0,0|1,0,2]=4 51 B5R1.1 [cH-]1cccc1 CHEBI:36767 [1,0,0,0,0,0|2,0,0]=3 52 B5R1.1 [cH-]1cnnc1 CHEBI:38600 [1,0,0,0,0,0|0,0,2]=3 53 B5R1.1 c1[nH]cnn1 CHEBI:46077 [1,0,0,0,0,0|1,0,1]=3 54 B5R1.1 c1[nH]ncn1 CHEBI:35550 [1,0,0,0,0,0|1,0,0]=2 55 B5R1.1 c1[nH]nnn1 CHEBI:33193 [1,0,0,0,0,0|2,0,0]=3 56 B5R1.1 c1c[n-]nc1 CHEBI:30367 [1,0,0,0,0,0|0,0,1]=2 57 B5R1.1 c1c[nH+]c[nH]1 CHEBI:50059 [1,0,0,0,0,0|2,0,0]=3 58 B5R1.1 c1c[nH][nH+]c1 CHEBI:33140 [1,0,0,0,0,0|0,0,1]=2 59 B5R1.1 c1c[nH]nc1 CHEBI:17241 [1,0,0,0,0,0|0,0,0]=1 60 B5R1.1 c1cc[asH]c1 CHEBI:33131 [1,0,0,0,0,0|1,1,0]=3 61 B5R1.1 c1cc[nH]c1 CHEBI:19203 [1,0,0,0,0,0|1,0,0]=2 62 B5R1.1 c1cc[pH]c1 CHEBI:33134 [1,0,0,0,0,0|1,1,0]=3 63 B5R1.1 c1cc[se]c1 CHEBI:30857 [1,0,0,0,0,0|2,0,0]=3 64 B5R1.1 c1cc[te]c1 CHEBI:30858 [1,0,0,0,0,0|2,0,0]=3 65 B5R1.1 c1ccoc1 CHEBI:35559 [1,0,0,0,0,0|2,0,0]=3 66 B5R1.1 c1ccsc1 CHEBI:30856 [1,0,0,0,0,0|2,0,0]=3 67 B5R1.1 c1cn[nH]n1 CHEBI:35566 [1,0,0,0,0,0|1,0,0]=2 68 B5R1.1 c1cnc[n-]1 CHEBI:30366 [1,0,0,0,0,0|2,0,0]=3 69 B5R1.1 c1cnc[nH]1 CHEBI:16069 [1,0,0,0,0,0|2,0,0]=3 70 B5R1.1 c1cnn[nH]1 CHEBI:35565 [1,0,0,0,0,0|1,0,0]=2 71 B5R1.1 c1cnoc1 CHEBI:35595 [1,0,0,0,0,0|1,0,0]=2 72 B5R1.1 c1cnsc1 CHEBI:35600 [1,0,0,0,0,0|1,0,0]=2 73 B5R1.1 c1cnsn1 CHEBI:39469 [1,0,0,0,0,0|2,0,0]=3 74 B5R1.1 c1cocn1 CHEBI:35597 [1,0,0,0,0,0|2,0,0]=3 75 B5R1.1 c1cscn1 CHEBI:43732 [1,0,0,0,0,0|2,0,0]=3 76 B5R1.1 c1csnn1 CHEBI:39468 [1,0,0,0,0,0|1,0,1]=3 77 B5R1.1 c1n[nH]nn1 CHEBI:33194 [1,0,0,0,0,0|2,0,0]=3 78 B5R1.1 c1ncsn1 CHEBI:39471 [1,0,0,0,0,0|2,0,0]=3 79 B5R1.1 c1nncs1 CHEBI:39472 [1,0,0,0,0,0|1,0,1]=3 80 B7R1.1 c1c(nc[nH]1)CO CHEBI:28182 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.1 c1cc(oc1)CO CHEBI:207496 [0,1,0,0,0,0|3,0,0]=4 82 B7R1.1 c1cc(oc1)CO CHEBI:53371 [0,1,0,0,0,0|3,0,0]=4 83 B7R1.1 c1cocc1C=O CHEBI:87609 [0,1,0,0,0,0|2,0,1]=4 84 B7R1.1 c1cscc1C=O CHEBI:87611 [0,1,0,0,0,0|2,0,1]=4 85 B7R1.2 CC1=CCC(=O)O1 CHEBI:36433 [0,1,0,0,0,0|3,0,0]=4 86 B7R1.2 CN1C=CN([C]1)C CHEBI:51378 [0,1,0,0,0,0|2,0,1]=4 87 B7R1.2 Cc1cc(no1)O CHEBI:5827 [0,1,0,0,0,0|2,0,0]=3 88 B7R1.2 Cn1cc[n+](c1)C CHEBI:61322 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.2 Cn1cc[n+](c1)C CHEBI:61324 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.4 Cn1cc[nH]c1=S CHEBI:50673 [0,1,0,0,0,0|2,0,0]=3 91 B5R0.1 C(=C/N)/C(=O)O CHEBI:59893 [0,0,1,0,0,0|3,0,0]=4 92 B5R0.1 C(=C/N)/C(=O)[O-] CHEBI:59894 [0,0,1,0,0,0|3,0,0]=4 93 B5R0.1 CC(=C)CCO CHEBI:62898 [0,0,1,0,0,0|2,0,1]=4 94 B5R0.1 CC(=CC=O)C CHEBI:15825 [0,0,1,0,0,0|2,0,1]=4 95 B5R0.1 CC(=CCO)C CHEBI:16019 [0,0,1,0,0,0|2,0,1]=4 96 B5R0.1 CC(C)\C=N/O CHEBI:61144 [0,0,1,0,0,0|1,0,2]=4 97 B5R0.1 CC(C)\C=N\O CHEBI:17502 [0,0,1,0,0,0|1,0,2]=4 98 B5R0.1 CC(C)\C=N\O CHEBI:61143 [0,0,1,0,0,0|1,0,2]=4 99 B5R0.1 CC=CC(=O)C CHEBI:89540 [0,0,1,0,0,0|3,0,0]=4 100 B5R1.2 C1CNC1=O CHEBI:327119 [0,0,0,0,1,0|2,0,1]=4 101 B7R1.3 C[n+]1ccccc1 CHEBI:15761 [0,0,0,0,0,1|3,0,0]=4 102 B7R1.3 Cc1ccccc1 CHEBI:17578 [0,0,0,0,0,1|2,0,0]=3 103 B7R1.3 Cc1ccccn1 CHEBI:50415 [0,0,0,0,0,1|2,0,0]=3 104 B7R1.3 Cc1cccnc1 CHEBI:39922 [0,0,0,0,0,1|1,0,0]=2 105 B7R1.3 Cc1ccncc1 CHEBI:32547 [0,0,0,0,0,1|1,0,0]=2 106 B7R1.3 [Li]c1ccccc1 CHEBI:51470 [0,0,0,0,0,1|3,0,0]=4 107 B7R1.3 c1c(cncn1)N CHEBI:38619 [0,0,0,0,0,1|1,0,1]=3 108 B7R1.3 c1c[nH]ccc1=O CHEBI:133125 [0,0,0,0,0,1|2,0,0]=3 109 B7R1.3 c1cc(cnc1)Br CHEBI:51575 [0,0,0,0,0,1|2,0,0]=3 110 B7R1.3 c1cc(cnc1)O CHEBI:87440 [0,0,0,0,0,1|2,0,0]=3 111 B7R1.3 c1ccc(cc1)Br CHEBI:3179 [0,0,0,0,0,1|3,0,0]=4 112 B7R1.3 c1ccc(cc1)Cl CHEBI:28097 [0,0,0,0,0,1|3,0,0]=4 113 B7R1.3 c1ccc(cc1)F CHEBI:5115 [0,0,0,0,0,1|3,0,0]=4 114 B7R1.3 c1ccc(cc1)N CHEBI:17296 [0,0,0,0,0,1|3,0,0]=4 115 B7R1.3 c1ccc(cc1)O CHEBI:15882 [0,0,0,0,0,1|3,0,0]=4 116 B7R1.3 c1ccc(cc1)S CHEBI:48498 [0,0,0,0,0,1|3,0,0]=4 117 B7R1.3 c1ccc(cc1)[Hg+] CHEBI:30787 [0,0,0,0,0,1|3,0,0]=4 118 B7R1.3 c1ccc(cc1)[Hg] CHEBI:49819 [0,0,0,0,0,1|3,0,0]=4 119 B7R1.3 c1ccc(cc1)[NH] CHEBI:48372 [0,0,0,0,0,1|3,0,0]=4 120 B7R1.3 c1ccc(cc1)[O+] CHEBI:52245 [0,0,0,0,0,1|3,0,0]=4 121 B7R1.3 c1ccc(cc1)[O-] CHEBI:50526 [0,0,0,0,0,1|3,0,0]=4 122 B7R1.3 c1ccc(cc1)[O-] CHEBI:52476 [0,0,0,0,0,1|3,0,0]=4 123 B7R1.3 c1ccnc(c1)Br CHEBI:51574 [0,0,0,0,0,1|3,0,0]=4 124 B7R1.3 c1ccnc(c1)Cl CHEBI:39174 [0,0,0,0,0,1|3,0,0]=4 125 B7R1.3 c1ccnc(c1)O CHEBI:16540 [0,0,0,0,0,1|3,0,0]=4 126 B7R1.3 c1ccnc(c1)S CHEBI:45223 [0,0,0,0,0,1|3,0,0]=4 127 B7R1.3 c1ccoc(=O)c1 CHEBI:37965 [0,0,0,0,0,1|3,0,0]=4 128 B7R1.3 c1cnccc1Br CHEBI:51576 [0,0,0,0,0,1|2,0,0]=3 129 B7R1.3 c1cnccc1N CHEBI:34385 [0,0,0,0,0,1|2,0,0]=3 130 B7R1.3 c1cnccc1O CHEBI:87614 [0,0,0,0,0,1|2,0,0]=3 131 B7R1.3 c1cncnc1N CHEBI:38616 [0,0,0,0,0,1|2,0,0]=3 132 B7R1.3 c1coccc1=O CHEBI:37966 [0,0,0,0,0,1|3,0,0]=4 133 B7R1.3 c1ncnc(n1)Cl CHEBI:38074 [0,0,0,0,0,1|3,0,0]=4 134 B4R0.1 C(=N)(N)NN CHEBI:40618 [1,0,1,0,0,0|2,0,0]=4 135 B4R0.1 C(=N)C(=O)O CHEBI:53647 [1,0,1,0,0,0|2,0,0]=4 136 B4R0.1 C(=N)C(=O)[O-] CHEBI:53664 [1,0,1,0,0,0|2,0,0]=4 137 B4R0.1 C(=O)C(=O)N CHEBI:59839 [1,0,1,0,0,0|2,0,0]=4 138 B4R0.1 C=CC(=C)Cl CHEBI:39481 [1,0,1,0,0,0|2,0,0]=4 139 B4R0.1 C=CC(=O)N CHEBI:28619 [1,0,1,0,0,0|2,0,0]=4 140 B4R0.1 CC(=C)C=C CHEBI:35194 [1,0,1,0,0,0|1,0,0]=3 141 B4R0.1 CC(=NO)C CHEBI:15349 [1,0,1,0,0,0|1,0,1]=4 142 B4R0.1 CC(=O)C=C CHEBI:48058 [1,0,1,0,0,0|2,0,0]=4 143 B4R0.1 CC(=O)C=O CHEBI:17158 [1,0,1,0,0,0|2,0,0]=4 144 B4R0.1 CC(=O)CN CHEBI:17906 [1,0,1,0,0,0|1,0,1]=4 145 B4R0.1 CC(=O)NC CHEBI:87321 [1,0,1,0,0,0|2,0,0]=4 146 B4R0.1 CC(=O)NN CHEBI:2422 [1,0,1,0,0,0|1,0,1]=4 147 B4R0.1 CC(=O)NO CHEBI:27777 [1,0,1,0,0,0|2,0,0]=4 148 B4R0.1 CC=C(C)C CHEBI:77916 [1,0,1,0,0,0|1,0,1]=4 149 B4R0.1 CCC(=C)C CHEBI:77915 [1,0,1,0,0,0|1,0,1]=4 150 B4R0.1 C\C(=N/O)\O CHEBI:49029 [1,0,1,0,0,0|2,0,0]=4 151 B4R0.1 C\C(=N\N)\O CHEBI:48978 [1,0,1,0,0,0|1,0,0]=3 152 B4R0.2 C\C=C\C=C CHEBI:74165 [1,0,1,0,0,0|1,0,0]=3 153 B4R0.2 C\C=C\C=O CHEBI:41607 [1,0,1,0,0,0|2,0,0]=4 154 B4R0.2 C\C=C\CO CHEBI:62891 [1,0,1,0,0,0|2,0,0]=4 155 B6R0.2 C\C(=C/C(=O)C)\N CHEBI:51695 [0,1,1,0,0,0|2,0,0]=4 156 B6R0.2 C\C(=C\C(=O)C)\N CHEBI:51692 [0,1,1,0,0,0|2,0,0]=4 157 B6R0.2 C\C(=C\C(=O)C)\N CHEBI:51693 [0,1,1,0,0,0|2,0,0]=4 158 B6R0.3 CC(=C)C(=O)OC CHEBI:34840 [0,1,1,0,0,0|2,0,0]=4 159 B6R0.4 CC(=CCCN)C CHEBI:87502 [0,1,1,0,0,0|1,0,1]=4 160 B8R1.2 CCc1ccccc1 CHEBI:16101 [0,1,0,0,0,1|2,0,0]=4 161 B8R1.2 CCc1cnccn1 CHEBI:73232 [0,1,0,0,0,1|1,0,0]=3 162 B8R1.2 CNc1ccccc1 CHEBI:15733 [0,1,0,0,0,1|2,0,0]=4 163 B8R1.2 COC1=CC#CC=C1 CHEBI:33831 [0,1,0,0,0,1|2,0,0]=4 164 B8R1.2 COc1ccccc1 CHEBI:16579 [0,1,0,0,0,1|2,0,0]=4 165 B8R1.2 COc1ncncn1 CHEBI:38929 [0,1,0,0,0,1|2,0,0]=4 166 B8R1.2 CSc1ncncn1 CHEBI:38062 [0,1,0,0,0,1|2,0,0]=4 167 B8R1.2 c1cc(cnc1)C#N CHEBI:86556 [0,1,0,0,0,1|1,0,1]=4 168 B8R1.2 c1cc(cnc1)C=O CHEBI:28345 [0,1,0,0,0,1|1,0,1]=4 169 B8R1.2 c1cc[nH+]c(c1)CCl CHEBI:76602 [0,1,0,0,0,1|2,0,0]=4 170 B8R1.2 c1ccc(cc1)CBr CHEBI:59858 [0,1,0,0,0,1|2,0,0]=4 171 B8R1.2 c1ccc(cc1)CCl CHEBI:615597 [0,1,0,0,0,1|2,0,0]=4 172 B8R1.2 c1ccc(cc1)CN CHEBI:40538 [0,1,0,0,0,1|2,0,0]=4 173 B8R1.2 c1ccc(cc1)CO CHEBI:17987 [0,1,0,0,0,1|2,0,0]=4 174 B8R1.2 c1ccc(cc1)C[NH3+] CHEBI:225238 [0,1,0,0,0,1|2,0,0]=4 175 B8R1.2 c1ccnc(c1)CCl CHEBI:76600 [0,1,0,0,0,1|2,0,0]=4 176 B8R1.2 c1ccnc(c1)CCl CHEBI:76601 [0,1,0,0,0,1|2,0,0]=4 177 B8R1.2 c1cnc(cn1)C#N CHEBI:3982 [0,1,0,0,0,1|1,0,1]=4 178 B8R1.3 Cc1ccc(cc1)C CHEBI:27417 [0,1,0,0,0,1|2,0,0]=4 179 B8R1.3 Cc1ccc(cc1)N CHEBI:37825 [0,1,0,0,0,1|2,0,0]=4 180 B8R1.3 Cc1ccc(cc1)O CHEBI:17847 [0,1,0,0,0,1|2,0,0]=4 181 B8R1.3 c1cc(ncc1O)O CHEBI:16364 [0,1,0,0,0,1|2,0,0]=4 182 B8R1.4 Cc1cccc(c1)C CHEBI:28488 [0,1,0,0,0,1|2,0,0]=4 183 B8R1.4 Cc1cccc(c1)O CHEBI:17231 [0,1,0,0,0,1|2,0,0]=4 184 B8R1.4 Cc1cccc(n1)C CHEBI:32548 [0,1,0,0,0,1|2,0,0]=4 185 B8R1.4 c1c(=O)[nH]c(=O)[nH]n1 CHEBI:53745 [0,1,0,0,0,1|1,0,0]=3 186 B8R1.4 c1c(cncc1Br)Br CHEBI:51593 [0,1,0,0,0,1|2,0,0]=4 187 B8R1.4 c1c[nH]c(=O)[nH]c1=O CHEBI:17568 [0,1,0,0,0,1|2,0,0]=4 188 B8R1.4 c1c[nH]c(=O)nc1N CHEBI:16040 [0,1,0,0,0,1|2,0,0]=4 189 B8R1.4 c1c[nH]c(=S)[nH]c1=O CHEBI:348530 [0,1,0,0,0,1|2,0,0]=4 190 B8R1.4 c1cnc(cc1N)N CHEBI:51599 [0,1,0,0,0,1|2,0,0]=4 191 B8R1.4 c1cnc(nc1O)N CHEBI:55502 [0,1,0,0,0,1|2,0,0]=4 192 B8R1.5 Cc1cccc[n+]1[O-] CHEBI:35578 [0,1,0,0,0,1|2,0,0]=4 193 B8R1.5 Cc1ccccc1C CHEBI:28063 [0,1,0,0,0,1|2,0,0]=4 194 B8R1.5 Cc1ccccc1I CHEBI:39813 [0,1,0,0,0,1|2,0,0]=4 195 B8R1.5 Cc1ccccc1N CHEBI:66892 [0,1,0,0,0,1|2,0,0]=4 196 B8R1.5 Cc1ccccc1O CHEBI:28054 [0,1,0,0,0,1|2,0,0]=4 197 B8R1.5 c1c[nH]cc(c1=O)O CHEBI:28630 [0,1,0,0,0,1|2,0,0]=4 198 B8R1.5 c1cc(c(nc1)O)O CHEBI:131454 [0,1,0,0,0,1|2,0,0]=4 199 B8R1.5 c1cncc(c1I)N CHEBI:132363 [0,1,0,0,0,1|2,0,0]=4 200 B8R1.5 c1cncc(c1O)O CHEBI:29053 [0,1,0,0,0,1|2,0,0]=4 201 B8R1.1 CCn1cc[n+](c1)C CHEBI:61326 [0,2,0,0,0,0|2,0,0]=4 202 B8R1.1 CCn1cc[n+](c1)C CHEBI:61327 [0,2,0,0,0,0|2,0,0]=4 203 B8R1.1 c1c(o[nH]c1=O)CN CHEBI:7035 [0,2,0,0,0,0|2,0,0]=4 204 B8R1.7 CC(=O)n1ccnc1 CHEBI:16984 [0,2,0,0,0,0|2,0,0]=4 205 B8R1.7 c1c[nH]cc1C(=O)O CHEBI:68076 [0,2,0,0,0,0|1,0,1]=4 206 B8R1.8 c1c(nc[nH]1)CC=O CHEBI:27398 [0,2,0,0,0,0|2,0,0]=4 207 B8R1.8 c1c(nc[nH]1)CCN CHEBI:18295 [0,2,0,0,0,0|2,0,0]=4 208 B8R1.8 c1c(nc[nH]1)CCN CHEBI:51193 [0,2,0,0,0,0|2,0,0]=4 209 B8R1.8 c1c(nc[nH]1)CC[NH3+] CHEBI:58432 [0,2,0,0,0,0|2,0,0]=4 210 B8R1.8 c1c(scn1)CCO CHEBI:82687 [0,2,0,0,0,0|2,0,0]=4 211 B8R1.8 c1c[nH]nc1CCN CHEBI:31280 [0,2,0,0,0,0|2,0,0]=4 212 B8R1.8 c1c[nH]nc1CCN CHEBI:59170 [0,2,0,0,0,0|2,0,0]=4 213 B8R1.11 Cn1cc[nH]c1=S=O CHEBI:63828 [0,2,0,0,0,0|2,0,0]=4 214 B8R1.18 Cc1c(sc(n1)C)C CHEBI:78738 [0,2,0,0,0,0|2,0,0]=4 215 B6R1.1 C1C=CCC=C1 CHEBI:37611 [0,0,1,1,0,0|2,0,0]=4 216 B6R1.1 C1C=COC=C1 CHEBI:35593 [0,0,1,1,0,0|2,0,0]=4 217 B6R1.1 C1CC=CNC1 CHEBI:47859 [0,0,1,1,0,0|1,0,1]=4 218 B6R1.1 C1CNCC=C1 CHEBI:47860 [0,0,1,1,0,0|1,0,1]=4 219 B6R1.1 c1ccncc1 CHEBI:16227 [0,0,1,1,0,0|1,0,1]=4 220 B6R1.1 c1ccnnc1 CHEBI:30954 [0,0,1,1,0,0|0,0,2]=4 221 B6R1.1 c1cnccn1 CHEBI:30953 [0,0,1,1,0,0|2,0,0]=4 222 B6R1.1 c1cncnc1 CHEBI:16898 [0,0,1,1,0,0|2,0,0]=4 223 B6R1.1 c1cnncn1 CHEBI:38057 [0,0,1,1,0,0|1,0,1]=4 224 B4R1.1 C1=CC=C1 CHEBI:33657 [1,0,0,0,1,0|1,0,0]=3 225 B4R1.1 C1C=CO1 CHEBI:51195 [1,0,0,0,1,0|1,0,1]=4 226 B4R1.1 C1CC=C1 CHEBI:51206 [1,0,0,0,1,0|1,0,1]=4 227 B4R1.2 CC1=CC1 CHEBI:132592 [0,0,0,0,2,0|0,0,1]=3