0 B6R1.2 BrC1=CCCC1 1P000ISQ [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 BrC1=COCC1 1P01BCHP [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 BrC1CC=CC1 1P00268S [0,0,0,0,0,0|2,0,2]=4 3 B6R1.2 Br[C-]1C=CC=C1 1P000XDE [0,0,0,0,0,0|2,0,1]=3 4 B6R1.2 Br[C-]1C=CC=C1 1P000ZJA [0,0,0,0,0,0|2,0,1]=3 5 B6R1.2 Brc1c[nH]nc1 1P002JKA [0,0,0,0,0,0|4,0,0]=4 6 B6R1.2 Brc1c[nH]nn1 1P00AMIC [0,0,0,0,0,0|4,0,0]=4 7 B6R1.2 Brc1cc[nH]n1 1P001L55 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 Brc1cccs1 1P0001YI [0,0,0,0,0,0|1,0,0]=1 9 B6R1.2 Brc1ccn[nH]1 1P008UPN [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 Brc1ccno1 1P0008UV [0,0,0,0,0,0|2,1,0]=3 11 B6R1.2 Brc1ccns1 1P003847 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 Brc1ccon1 1P008TPD [0,0,0,0,0,0|3,0,0]=3 13 B6R1.2 Brc1ccsn1 1P0037J9 [0,0,0,0,0,0|3,0,0]=3 14 B6R1.2 Brc1cn[nH]n1 1P01K0JE [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 Brc1cnc[nH]1 1P002MDC [0,0,0,0,0,0|3,0,0]=3 16 B6R1.2 Brc1cnco1 1P0094A7 [0,0,0,0,0,0|2,1,0]=3 17 B6R1.2 Brc1cnco1 1P01B653 [0,0,0,0,0,0|2,1,0]=3 18 B6R1.2 Brc1cncs1 1P00309V [0,0,0,0,0,0|2,0,0]=2 19 B6R1.2 Brc1cnn[nH]1 1P003ATS [0,0,0,0,0,0|4,0,0]=4 20 B6R1.2 Brc1cnns1 1P028OEX [0,0,0,0,0,0|3,0,0]=3 21 B6R1.2 Brc1cocc1 1P00343I [0,0,0,0,0,0|3,0,0]=3 22 B6R1.2 Brc1cocn1 1P009WUS [0,0,0,0,0,0|3,0,0]=3 23 B6R1.2 Brc1cocn1 1P01B6N4 [0,0,0,0,0,0|3,0,0]=3 24 B6R1.2 Brc1conc1 1P00375F [0,0,0,0,0,0|4,0,0]=4 25 B6R1.2 Brc1cscc1 1P00343T [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 Brc1cscn1 1P0034FH [0,0,0,0,0,0|3,0,0]=3 27 B6R1.2 Brc1csnc1 1P0038M0 [0,0,0,0,0,0|4,0,0]=4 28 B6R1.2 Brc1n[nH]cn1 1P00370I [0,0,0,0,0,0|4,0,0]=4 29 B6R1.2 Brc1ncc[nH]1 1P0038GT [0,0,0,0,0,0|3,0,0]=3 30 B6R1.2 Brc1ncc[nH]1 1P01ELJO [0,0,0,0,0,0|3,0,0]=3 31 B6R1.2 Brc1ncco1 1P000O9T [0,0,0,0,0,0|2,1,0]=3 32 B6R1.2 Brc1ncco1 1P01AC0E [0,0,0,0,0,0|2,1,0]=3 33 B6R1.2 Brc1nccs1 1P00309X [0,0,0,0,0,0|2,0,0]=2 34 B6R1.2 Brc1ncn[nH]1 1P00AXLQ [0,0,0,0,0,0|4,0,0]=4 35 B6R1.2 Brc1ncns1 1P00DIBD [0,0,0,0,0,0|3,0,0]=3 36 B6R1.2 Brc1nnc[nH]1 1P01EARC [0,0,0,0,0,0|4,0,0]=4 37 B6R1.2 Brc1nnco1 1P019EDG [0,0,0,0,0,0|3,1,0]=4 38 B6R1.2 Brc1nncs1 1P0033LG [0,0,0,0,0,0|3,0,0]=3 39 B6R1.2 Brc1nscn1 1P00J3VA [0,0,0,0,0,0|4,0,0]=4 40 B6R1.2 C1C=NNC1=O 1P00134X [0,0,0,0,0,0|2,1,1]=4 41 B6R1.2 C1C=NOC1=O 1P0082VF [0,0,0,0,0,0|1,2,1]=4 42 B6R1.2 C1N=CSC1=S 1P009QOQ [0,0,0,0,0,0|1,0,2]=3 43 B6R1.2 C1NC(=O)C=C1 1P0037XN [0,0,0,0,0,0|1,1,1]=3 44 B6R1.2 C1OC(=O)C=C1 1P0037VR [0,0,0,0,0,0|0,2,1]=3 45 B6R1.2 C1OC=CC1=O 1P01HH13 [0,0,0,0,0,0|2,1,0]=3 46 B6R1.2 C1SC(=O)C=C1 1P00CB5Q [0,0,0,0,0,0|0,1,1]=2 47 B6R1.2 CC1=CCCO1 1P001LLN [0,0,0,0,0,0|1,1,2]=4 48 B6R1.2 CC1=CCNC1 1P028YTC [0,0,0,0,0,0|3,0,1]=4 49 B6R1.2 CC1=NCCS1 1P002NSB [0,0,0,0,0,0|2,0,2]=4 50 B6R1.2 CN1CC=CC1 1P00384O [0,0,0,0,0,0|3,0,1]=4 51 B6R1.2 C[C-]1C=CC=C1 1P000ZBQ [0,0,0,0,0,0|2,0,1]=3 52 B6R1.2 Cc1[n-]ccn1 1P00EFKI [0,0,0,0,0,0|3,0,0]=3 53 B6R1.2 Cc1c[nH+][nH]c1 1P00DF5M [0,0,0,0,0,0|4,0,0]=4 54 B6R1.2 Cc1c[nH]cc1 1P00347O [0,0,0,0,0,0|3,0,0]=3 55 B6R1.2 Cc1c[nH]cn1 1P0034KA [0,0,0,0,0,0|3,0,0]=3 56 B6R1.2 Cc1c[nH]nc1 1P0034KB [0,0,0,0,0,0|4,0,0]=4 57 B6R1.2 Cc1cc[nH]n1 1P001L8I [0,0,0,0,0,0|3,0,0]=3 58 B6R1.2 Cc1ccc[nH]1 1P0036CQ [0,0,0,0,0,0|2,0,0]=2 59 B6R1.2 Cc1ccco1 1P003I5W [0,0,0,0,0,0|1,1,0]=2 60 B6R1.2 Cc1ccn[nH]1 1P00GV5F [0,0,0,0,0,0|3,0,0]=3 61 B6R1.2 Cc1ccn[nH]1 1P00HFKT [0,0,0,0,0,0|3,0,0]=3 62 B6R1.2 Cc1ccno1 1P0034RJ [0,0,0,0,0,0|2,1,0]=3 63 B6R1.2 Cc1ccns1 1P00FD3O [0,0,0,0,0,0|2,0,0]=2 64 B6R1.2 Cc1ccon1 1P0031XW [0,0,0,0,0,0|3,0,0]=3 65 B6R1.2 Cc1cn[nH]n1 1P002GA1 [0,0,0,0,0,0|4,0,0]=4 66 B6R1.2 Cc1cnc[nH]1 1P002MX4 [0,0,0,0,0,0|3,0,0]=3 67 B6R1.2 Cc1cnco1 1P0037GR [0,0,0,0,0,0|2,1,0]=3 68 B6R1.2 Cc1cncs1 1P003ND8 [0,0,0,0,0,0|2,0,0]=2 69 B6R1.2 Cc1cnn[nH]1 1P002VA9 [0,0,0,0,0,0|4,0,0]=4 70 B6R1.2 Cc1cnon1 1P002SJZ [0,0,0,0,0,0|4,0,0]=4 71 B6R1.2 Cc1cocc1 1P003K7Y [0,0,0,0,0,0|3,0,0]=3 72 B6R1.2 Cc1cocn1 1P00376B [0,0,0,0,0,0|3,0,0]=3 73 B6R1.2 Cc1conc1 1P00EDTH [0,0,0,0,0,0|4,0,0]=4 74 B6R1.2 Cc1cscc1 1P0037J4 [0,0,0,0,0,0|3,0,0]=3 75 B6R1.2 Cc1cscn1 1P0034KU [0,0,0,0,0,0|3,0,0]=3 76 B6R1.2 Cc1csnc1 1P00FFVP [0,0,0,0,0,0|4,0,0]=4 77 B6R1.2 Cc1csnn1 1P0023VD [0,0,0,0,0,0|4,0,0]=4 78 B6R1.2 Cc1n[nH]cn1 1P00347N [0,0,0,0,0,0|4,0,0]=4 79 B6R1.2 Cc1ncc[nH]1 1P0033UW [0,0,0,0,0,0|3,0,0]=3 80 B6R1.2 Cc1ncc[nH]1 1P01FPHT [0,0,0,0,0,0|3,0,0]=3 81 B6R1.2 Cc1ncco1 1P002MBP [0,0,0,0,0,0|2,1,0]=3 82 B6R1.2 Cc1nccs1 1P003I7G [0,0,0,0,0,0|2,0,0]=2 83 B6R1.2 Cc1nnco1 1P0033UG [0,0,0,0,0,0|3,1,0]=4 84 B6R1.2 ClC1=CCCC1 1P003ENR [0,0,0,0,0,0|2,0,2]=4 85 B6R1.2 ClC1CCC=C1 1P00687X [0,0,0,0,0,0|2,0,2]=4 86 B6R1.2 Clc1c[nH]nc1 1P001RBV [0,0,0,0,0,0|4,0,0]=4 87 B6R1.2 Clc1cc[nH]n1 1P0039E9 [0,0,0,0,0,0|3,0,0]=3 88 B6R1.2 Clc1cccs1 1P0033WN [0,0,0,0,0,0|1,0,0]=1 89 B6R1.2 Clc1ccn[nH]1 1P00H1ES [0,0,0,0,0,0|3,0,0]=3 90 B6R1.2 Clc1ccon1 1P005DEE [0,0,0,0,0,0|3,0,0]=3 91 B6R1.2 Clc1ccsn1 1P001ID4 [0,0,0,0,0,0|3,0,0]=3 92 B6R1.2 Clc1cnc[nH]1 1P001RQY [0,0,0,0,0,0|3,0,0]=3 93 B6R1.2 Clc1cncs1 1P01B60F [0,0,0,0,0,0|2,0,0]=2 94 B6R1.2 Clc1cnns1 1P00BYEY [0,0,0,0,0,0|3,0,0]=3 95 B6R1.2 Clc1cnsn1 1P00J3EE [0,0,0,0,0,0|4,0,0]=4 96 B6R1.2 Clc1cscc1 1P0038PL [0,0,0,0,0,0|3,0,0]=3 97 B6R1.2 Clc1cscn1 1P003LP9 [0,0,0,0,0,0|3,0,0]=3 98 B6R1.2 Clc1csnc1 1P002QQB [0,0,0,0,0,0|4,0,0]=4 99 B6R1.2 Clc1n[nH]cn1 1P005MDU [0,0,0,0,0,0|4,0,0]=4 100 B6R1.2 Clc1ncc[nH]1 1P001TQY [0,0,0,0,0,0|3,0,0]=3 101 B6R1.2 Clc1ncco1 1P01C0J0 [0,0,0,0,0,0|2,1,0]=3 102 B6R1.2 Clc1nccs1 1P00309Y [0,0,0,0,0,0|2,0,0]=2 103 B6R1.2 Clc1ncns1 1P007AF2 [0,0,0,0,0,0|3,0,0]=3 104 B6R1.2 Clc1nncs1 1P00DIEM [0,0,0,0,0,0|3,0,0]=3 105 B6R1.2 Clc1nscn1 1P01A6LQ [0,0,0,0,0,0|4,0,0]=4 106 B6R1.2 Cn1cccc1 1P003TMI [0,0,0,0,0,0|3,0,0]=3 107 B6R1.2 Cn1cccn1 1P003EXX [0,0,0,0,0,0|3,0,0]=3 108 B6R1.2 Cn1ccnn1 1P0036FO [0,0,0,0,0,0|4,0,0]=4 109 B6R1.2 Cn1cncc1 1P001NMJ [0,0,0,0,0,0|4,0,0]=4 110 B6R1.2 Cn1cncc1 1P007BCU [0,0,0,0,0,0|4,0,0]=4 111 B6R1.2 Cn1cncn1 1P003EXL [0,0,0,0,0,0|4,0,0]=4 112 B6R1.2 Cn1nccn1 1P002IJT [0,0,0,0,0,0|4,0,0]=4 113 B6R1.2 FC1=CCNC1 1P0204LU [0,0,0,0,0,0|3,0,1]=4 114 B6R1.2 Fc1c[nH]nc1 1P0036N9 [0,0,0,0,0,0|4,0,0]=4 115 B6R1.2 Fc1c[nH]nc1 1P00I3ON [0,0,0,0,0,0|4,0,0]=4 116 B6R1.2 Fc1cc[nH]n1 1P001L54 [0,0,0,0,0,0|3,0,0]=3 117 B6R1.2 Fc1cccs1 1P00BYBL [0,0,0,0,0,0|1,0,0]=1 118 B6R1.2 Fc1cnc[nH]1 1P007K08 [0,0,0,0,0,0|3,0,0]=3 119 B6R1.2 Fc1cocc1 1P0292CG [0,0,0,0,0,0|3,0,0]=3 120 B6R1.2 Fc1cscc1 1P003268 [0,0,0,0,0,0|3,0,0]=3 121 B6R1.2 Fc1ncc[nH]1 1P00CM2R [0,0,0,0,0,0|3,0,0]=3 122 B6R1.2 Fc1nccs1 1P00BI23 [0,0,0,0,0,0|2,0,0]=2 123 B6R1.2 Fc1ncn[nH]1 1P00CLJL [0,0,0,0,0,0|4,0,0]=4 124 B6R1.2 IC1=CCCC1 1P00AYUI [0,0,0,0,0,0|2,0,2]=4 125 B6R1.2 IC1=COCC1 1P01JVAB [0,0,0,0,0,0|3,0,1]=4 126 B6R1.2 Ic1c[nH]cn1 1P0034JK [0,0,0,0,0,0|3,0,0]=3 127 B6R1.2 Ic1c[nH]nc1 1P003M1M [0,0,0,0,0,0|4,0,0]=4 128 B6R1.2 Ic1cc[nH]n1 1P00037Y [0,0,0,0,0,0|3,0,0]=3 129 B6R1.2 Ic1cccs1 1P0033TX [0,0,0,0,0,0|1,0,0]=1 130 B6R1.2 Ic1ccn[nH]1 1P0038Q7 [0,0,0,0,0,0|3,0,0]=3 131 B6R1.2 Ic1ccns1 1P00J3CN [0,0,0,0,0,0|2,0,0]=2 132 B6R1.2 Ic1cnco1 1P027WF8 [0,0,0,0,0,0|2,1,0]=3 133 B6R1.2 Ic1cncs1 1P009R22 [0,0,0,0,0,0|2,0,0]=2 134 B6R1.2 Ic1cnn[nH]1 1P01BK7I [0,0,0,0,0,0|4,0,0]=4 135 B6R1.2 Ic1cocn1 1P01BJ4G [0,0,0,0,0,0|3,0,0]=3 136 B6R1.2 Ic1conc1 1P004YU2 [0,0,0,0,0,0|4,0,0]=4 137 B6R1.2 Ic1cscc1 1P00860K [0,0,0,0,0,0|3,0,0]=3 138 B6R1.2 Ic1cscn1 1P01BUQT [0,0,0,0,0,0|3,0,0]=3 139 B6R1.2 Ic1csnc1 1P00DCN7 [0,0,0,0,0,0|4,0,0]=4 140 B6R1.2 Ic1csnn1 1P028QT4 [0,0,0,0,0,0|4,0,0]=4 141 B6R1.2 Ic1n[nH]cn1 1P008PIP [0,0,0,0,0,0|4,0,0]=4 142 B6R1.2 Ic1ncc[nH]1 1P00309S [0,0,0,0,0,0|3,0,0]=3 143 B6R1.2 Ic1ncco1 1P00IF7W [0,0,0,0,0,0|2,1,0]=3 144 B6R1.2 Ic1nccs1 1P00309W [0,0,0,0,0,0|2,0,0]=2 145 B6R1.2 Ic1nncs1 1P00CB6F [0,0,0,0,0,0|3,0,0]=3 146 B6R1.2 N=C1CCCS1 1P00DAVZ [0,0,0,0,0,0|1,0,3]=4 147 B6R1.2 N=c1[nH]cc[nH]1 1P00CM2O [0,0,0,0,0,0|3,0,0]=3 148 B6R1.2 N=c1[nH]nc[nH]1 1P01JAEN [0,0,0,0,0,0|4,0,0]=4 149 B6R1.2 N=c1scc[nH]1 1P00IK6V [0,0,0,0,0,0|2,0,0]=2 150 B6R1.2 NC1=CCNN1 1P01C548 [0,0,0,0,0,0|3,0,1]=4 151 B6R1.2 NC1=NCCS1 1P00262F [0,0,0,0,0,0|2,0,2]=4 152 B6R1.2 NC1=NCCS1 1P0033JJ [0,0,0,0,0,0|2,0,2]=4 153 B6R1.2 NC1C=CN=N1 1P009BAP [0,0,0,0,0,0|3,0,1]=4 154 B6R1.2 NC1CC=CC1 1P003A3K [0,0,0,0,0,0|2,0,2]=4 155 B6R1.2 NC1CCC=C1 1P00J3BD [0,0,0,0,0,0|2,0,2]=4 156 B6R1.2 N[C-]1C=CC=C1 1P000XDB [0,0,0,0,0,0|2,0,1]=3 157 B6R1.2 N[C@@H]1CCC=C1 1P028TVE [0,0,0,0,0,0|2,0,2]=4 158 B6R1.2 N[C@H]1CCC=C1 1P028U0L [0,0,0,0,0,0|2,0,2]=4 159 B6R1.2 Nc1c[nH]cc1 1P003AMF [0,0,0,0,0,0|3,0,0]=3 160 B6R1.2 Nc1c[nH]nc1 1P002VTR [0,0,0,0,0,0|4,0,0]=4 161 B6R1.2 Nc1c[nH]nc1 1P0074MC [0,0,0,0,0,0|4,0,0]=4 162 B6R1.2 Nc1c[nH]nc1 1P0092UA [0,0,0,0,0,0|4,0,0]=4 163 B6R1.2 Nc1c[nH]nn1 1P00C2F7 [0,0,0,0,0,0|4,0,0]=4 164 B6R1.2 Nc1ccn[nH]1 1P00I0ST [0,0,0,0,0,0|3,0,0]=3 165 B6R1.2 Nc1ccno1 1P001ES2 [0,0,0,0,0,0|2,1,0]=3 166 B6R1.2 Nc1ccns1 1P003AW8 [0,0,0,0,0,0|2,0,0]=2 167 B6R1.2 Nc1ccon1 1P0020K7 [0,0,0,0,0,0|3,0,0]=3 168 B6R1.2 Nc1cn[nH]n1 1P00J1V3 [0,0,0,0,0,0|4,0,0]=4 169 B6R1.2 Nc1cnc[nH]1 1P000S6U [0,0,0,0,0,0|3,0,0]=3 170 B6R1.2 Nc1cncs1 1P0025NE [0,0,0,0,0,0|2,0,0]=2 171 B6R1.2 Nc1cncs1 1P0034NP [0,0,0,0,0,0|2,0,0]=2 172 B6R1.2 Nc1cnns1 1P0034N4 [0,0,0,0,0,0|3,0,0]=3 173 B6R1.2 Nc1cnon1 1P00646W [0,0,0,0,0,0|4,0,0]=4 174 B6R1.2 Nc1cnsn1 1P01A0F4 [0,0,0,0,0,0|4,0,0]=4 175 B6R1.2 Nc1conc1 1P008RI0 [0,0,0,0,0,0|4,0,0]=4 176 B6R1.2 Nc1conc1 1P008U89 [0,0,0,0,0,0|4,0,0]=4 177 B6R1.2 Nc1cscc1 1P00BFOP [0,0,0,0,0,0|3,0,0]=3 178 B6R1.2 Nc1cscn1 1P0025NF [0,0,0,0,0,0|3,0,0]=3 179 B6R1.2 Nc1csnc1 1P0037IR [0,0,0,0,0,0|4,0,0]=4 180 B6R1.2 Nc1csnc1 1P00EIUC [0,0,0,0,0,0|4,0,0]=4 181 B6R1.2 Nc1csnc1 1P01B2JY [0,0,0,0,0,0|4,0,0]=4 182 B6R1.2 Nc1csnn1 1P01BEQH [0,0,0,0,0,0|4,0,0]=4 183 B6R1.2 Nc1nc[nH]c1 1P0039YW [0,0,0,0,0,0|3,0,0]=3 184 B6R1.2 Nc1ncc[nH]1 1P001KWS [0,0,0,0,0,0|3,0,0]=3 185 B6R1.2 Nc1ncc[nH]1 1P00338E [0,0,0,0,0,0|3,0,0]=3 186 B6R1.2 Nc1ncco1 1P0033L1 [0,0,0,0,0,0|2,1,0]=3 187 B6R1.2 Nc1nccs1 1P00IBBT [0,0,0,0,0,0|2,0,0]=2 188 B6R1.2 Nc1ncns1 1P001RDR [0,0,0,0,0,0|3,0,0]=3 189 B6R1.2 Nc1ncns1 1P003DRQ [0,0,0,0,0,0|3,0,0]=3 190 B6R1.2 Nc1ncns1 1P008QCV [0,0,0,0,0,0|3,0,0]=3 191 B6R1.2 Nc1nnc[nH]1 1P00EIW3 [0,0,0,0,0,0|4,0,0]=4 192 B6R1.2 Nc1nnco1 1P00CJA5 [0,0,0,0,0,0|3,1,0]=4 193 B6R1.2 Nc1nncs1 1P0033JF [0,0,0,0,0,0|3,0,0]=3 194 B6R1.2 Nc1nnns1 1P00FEDF [0,0,0,0,0,0|4,0,0]=4 195 B6R1.2 Nc1nocn1 1P00D4NZ [0,0,0,0,0,0|4,0,0]=4 196 B6R1.2 Nc1scnc1 1P01C520 [0,0,0,0,0,0|2,0,0]=2 197 B6R1.2 Nn1cccc1 1P00G2U0 [0,0,0,0,0,0|3,0,0]=3 198 B6R1.2 Nn1cccn1 1P00CL92 [0,0,0,0,0,0|3,0,0]=3 199 B6R1.2 Nn1ccnn1 1P0036O7 [0,0,0,0,0,0|4,0,0]=4 200 B6R1.2 Nn1ccnn1 1P01AVE6 [0,0,0,0,0,0|4,0,0]=4 201 B6R1.2 Nn1cncc1 1P003959 [0,0,0,0,0,0|4,0,0]=4 202 B6R1.2 Nn1cncc1 1P0039HI [0,0,0,0,0,0|4,0,0]=4 203 B6R1.2 Nn1cncn1 1P002QLD [0,0,0,0,0,0|4,0,0]=4 204 B6R1.2 O=C1CCCS1 1P0001YH [0,0,0,0,0,0|0,1,3]=4 205 B6R1.2 O=C1N=NC=N1 1P00BXUB [0,0,0,0,0,0|3,1,0]=4 206 B6R1.2 O=C1OCCS1 1P007GZO [0,0,0,0,0,0|1,1,2]=4 207 B6R1.2 O=P1CC=CC1 1P028B8Y [0,0,0,0,0,0|2,1,1]=4 208 B6R1.2 O=c1[nH]cc[nH]1 1P003E0I [0,0,0,0,0,0|2,1,0]=3 209 B6R1.2 O=c1cc[nH][nH]1 1P00134W [0,0,0,0,0,0|2,1,0]=3 210 B6R1.2 O=c1cco[nH]1 1P00ED6J [0,0,0,0,0,0|2,1,0]=3 211 B6R1.2 O=c1ccs[nH]1 1P0001YJ [0,0,0,0,0,0|2,1,0]=3 212 B6R1.2 O=c1nc[nH][nH]1 1P00GRQM [0,0,0,0,0,0|3,1,0]=4 213 B6R1.2 O=c1occ[nH]1 1P002UML [0,0,0,0,0,0|1,2,0]=3 214 B6R1.2 O=c1occo1 1P003VS7 [0,0,0,0,0,0|1,2,0]=3 215 B6R1.2 O=c1ocn[nH]1 1P00J30X [0,0,0,0,0,0|2,2,0]=4 216 B6R1.2 O=c1scc[nH]1 1P00F3MD [0,0,0,0,0,0|1,1,0]=2 217 B6R1.2 O=c1scn[nH]1 1P004Y70 [0,0,0,0,0,0|2,1,0]=3 218 B6R1.2 OC1CC=CC1 1P00354I [0,0,0,0,0,0|1,1,2]=4 219 B6R1.2 OC1CCC=C1 1P00C75L [0,0,0,0,0,0|1,1,2]=4 220 B6R1.2 O[C@@H]1CCC=C1 1P028ADY [0,0,0,0,0,0|1,1,2]=4 221 B6R1.2 O[C@H]1CCC=C1 1P01GV1K [0,0,0,0,0,0|1,1,2]=4 222 B6R1.2 Oc1c[nH]cn1 1P0063WX [0,0,0,0,0,0|2,1,0]=3 223 B6R1.2 Oc1c[nH]nc1 1P0034J7 [0,0,0,0,0,0|3,1,0]=4 224 B6R1.2 Oc1c[nH]nc1 1P00J2QO [0,0,0,0,0,0|3,1,0]=4 225 B6R1.2 Oc1c[nH]nn1 1P00848B [0,0,0,0,0,0|3,1,0]=4 226 B6R1.2 Oc1cc[nH]n1 1P00EIV8 [0,0,0,0,0,0|2,1,0]=3 227 B6R1.2 Oc1cccs1 1P007WJZ [0,0,0,0,0,0|0,1,0]=1 228 B6R1.2 Oc1ccn[nH]1 1P00EF5X [0,0,0,0,0,0|2,1,0]=3 229 B6R1.2 Oc1cnsn1 1P00F041 [0,0,0,0,0,0|3,1,0]=4 230 B6R1.2 Oc1conc1 1P00G9VS [0,0,0,0,0,0|3,1,0]=4 231 B6R1.2 Oc1cscc1 1P007DIM [0,0,0,0,0,0|2,1,0]=3 232 B6R1.2 Oc1nccs1 1P00G7GQ [0,0,0,0,0,0|1,1,0]=2 233 B6R1.2 Oc1ncn[nH]1 1P0017LF [0,0,0,0,0,0|3,1,0]=4 234 B6R1.2 On1cccn1 1P0056CG [0,0,0,0,0,0|2,1,0]=3 235 B6R1.2 S=C1SCCS1 1P003QZB [0,0,0,0,0,0|1,0,3]=4 236 B6R1.2 S=c1[nH]cc[nH]1 1P003BPF [0,0,0,0,0,0|2,0,1]=3 237 B6R1.2 S=c1ccss1 1P01E558 [0,0,0,0,0,0|1,0,1]=2 238 B6R1.2 S=c1scc[nH]1 1P00E939 [0,0,0,0,0,0|1,0,1]=2 239 B6R1.2 S=c1sccs1 1P003BGZ [0,0,0,0,0,0|1,0,1]=2 240 B6R1.2 SC1=NCCS1 1P003HZ4 [0,0,0,0,0,0|1,0,2]=3 241 B6R1.2 Sc1c[nH]nc1 1P0221KR [0,0,0,0,0,0|3,0,0]=3 242 B6R1.2 Sc1c[nH]nn1 1P003UQZ [0,0,0,0,0,0|3,0,0]=3 243 B6R1.2 Sc1cc[nH]n1 1P028LHX [0,0,0,0,0,0|2,0,0]=2 244 B6R1.2 Sc1cccs1 1P003IEZ [0,0,0,0,0,0|0,0,0]=0 245 B6R1.2 Sc1cscc1 1P00589C [0,0,0,0,0,0|2,0,0]=2 246 B6R1.2 Sc1n[nH]cn1 1P00338A [0,0,0,0,0,0|3,0,0]=3 247 B6R1.2 Sc1nccs1 1P00IDP6 [0,0,0,0,0,0|1,0,0]=1 248 B6R1.2 Sc1nncs1 1P003HYN [0,0,0,0,0,0|2,0,0]=2 249 B6R1.2 [Fe]C1=CC=CC1 1P003PMR [0,0,0,0,0,0|2,0,0]=2 250 B6R1.2 [Li]C1C=CC=C1 1P001XS4 [0,0,0,0,0,0|2,0,1]=3 251 B6R1.2 [Mn]C1=CC=CC1 1P003PMS [0,0,0,0,0,0|2,0,0]=2 252 B6R1.2 [S-]c1cnns1 1P00G2O4 [0,0,0,0,0,0|2,0,1]=3 253 B6R1.2 [Tl]C1=CC=CC1 1P00C19M [0,0,0,0,0,0|2,0,0]=2 254 B5R1.1 C1C=CC=C1 1P003OR4 [1,0,0,0,0,0|1,0,0]=2 255 B5R1.1 C1CC=CC1 1P003PN5 [1,0,0,0,0,0|1,0,2]=4 256 B5R1.1 N1CC=CC1 1P00348W [1,0,0,0,0,0|1,0,2]=4 257 B5R1.1 N1CC=CC1 1P003GF8 [1,0,0,0,0,0|1,0,2]=4 258 B5R1.1 S1CC=CC1 1P00B09R [1,0,0,0,0,0|0,0,2]=3 259 B5R1.1 [C-]1=CC=CC1 1P003D61 [1,0,0,0,0,0|1,0,1]=3 260 B5R1.1 [C-]1=CC=CC1 1P003OR0 [1,0,0,0,0,0|1,0,1]=3 261 B5R1.1 [C-]1=CC=CC1 1P003PMV [1,0,0,0,0,0|1,0,1]=3 262 B5R1.1 [CH-]1C=CC=C1 1P0006P5 [1,0,0,0,0,0|1,0,0]=2 263 B5R1.1 [CH-]1C=CC=C1 1P000X50 [1,0,0,0,0,0|1,0,0]=2 264 B5R1.1 [CH-]1C=CC=C1 1P000X52 [1,0,0,0,0,0|1,0,0]=2 265 B5R1.1 [CH-]1C=CC=C1 1P000XDC [1,0,0,0,0,0|1,0,0]=2 266 B5R1.1 [CH-]1C=CC=C1 1P000XSL [1,0,0,0,0,0|1,0,0]=2 267 B5R1.1 [CH-]1C=CC=C1 1P000XSM [1,0,0,0,0,0|1,0,0]=2 268 B5R1.1 [CH-]1C=CC=C1 1P000YBD [1,0,0,0,0,0|1,0,0]=2 269 B5R1.1 [CH-]1C=CC=C1 1P000YSN [1,0,0,0,0,0|1,0,0]=2 270 B5R1.1 [CH]1C=CC=C1 1P000X4R [1,0,0,0,0,0|1,0,0]=2 271 B5R1.1 [CH]1C=CC=C1 1P003OQZ [1,0,0,0,0,0|1,0,0]=2 272 B5R1.1 [CH]1C=CC=C1 1P003PMU [1,0,0,0,0,0|1,0,0]=2 273 B5R1.1 [CH]1C=CC=C1 1P003PMW [1,0,0,0,0,0|1,0,0]=2 274 B5R1.1 [nH]1ccnc1 1P00BFOE [1,0,0,0,0,0|2,0,0]=3 275 B5R1.1 c1ccc[nH]1 1P00360L [1,0,0,0,0,0|1,0,0]=2 276 B5R1.1 c1cccs1 1P0038GZ [1,0,0,0,0,0|0,0,0]=1 277 B5R1.1 c1ccn[nH]1 1P002X05 [1,0,0,0,0,0|2,0,0]=3 278 B5R1.1 c1ccno1 1P002X04 [1,0,0,0,0,0|1,1,0]=3 279 B5R1.1 c1ccns1 1P002X03 [1,0,0,0,0,0|1,0,0]=2 280 B5R1.1 c1cn[nH]n1 1P002X0X [1,0,0,0,0,0|3,0,0]=4 281 B5R1.1 c1cnn[nH]1 1P002X0W [1,0,0,0,0,0|3,0,0]=4 282 B5R1.1 c1nc[n-]n1 1P00330T [1,0,0,0,0,0|3,0,0]=4 283 B5R1.1 c1ncc[nH]1 1P001EPB [1,0,0,0,0,0|2,0,0]=3 284 B5R1.1 c1ncc[nH]1 1P002X0Y [1,0,0,0,0,0|2,0,0]=3 285 B5R1.1 c1ncc[nH]1 1P008YHM [1,0,0,0,0,0|2,0,0]=3 286 B5R1.1 c1ncc[nH]1 1P00FF02 [1,0,0,0,0,0|2,0,0]=3 287 B5R1.1 c1ncco1 1P002X0R [1,0,0,0,0,0|1,1,0]=3 288 B5R1.1 c1nccs1 1P002X0Q [1,0,0,0,0,0|1,0,0]=2 289 B5R1.1 c1ncn[nH]1 1P002X0F [1,0,0,0,0,0|3,0,0]=4 290 B5R1.1 o1cnnc1 1P002X1N [1,0,0,0,0,0|2,1,0]=4 291 B5R1.1 s1cnnc1 1P002XGM [1,0,0,0,0,0|2,0,0]=3 292 B7R1.1 BrCc1c[nH]cn1 1P00DKVA [0,1,0,0,0,0|3,0,0]=4 293 B7R1.1 BrCc1cc[nH]n1 1P01BBQF [0,1,0,0,0,0|3,0,0]=4 294 B7R1.1 BrCc1cccs1 1P003A54 [0,1,0,0,0,0|1,0,0]=2 295 B7R1.1 BrCc1ccno1 1P005IU1 [0,1,0,0,0,0|2,1,0]=4 296 B7R1.1 BrCc1ccns1 1P00BNV7 [0,1,0,0,0,0|2,0,0]=3 297 B7R1.1 BrCc1ccon1 1P005JQO [0,1,0,0,0,0|3,0,0]=4 298 B7R1.1 BrCc1cnco1 1P000X8S [0,1,0,0,0,0|2,1,0]=4 299 B7R1.1 BrCc1cncs1 1P00IJOS [0,1,0,0,0,0|2,0,0]=3 300 B7R1.1 BrCc1cnns1 1P01BBDX [0,1,0,0,0,0|3,0,0]=4 301 B7R1.1 BrCc1cocc1 1P00ED8I [0,1,0,0,0,0|3,0,0]=4 302 B7R1.1 BrCc1cocn1 1P008U5Y [0,1,0,0,0,0|3,0,0]=4 303 B7R1.1 BrCc1cscn1 1P0036OC [0,1,0,0,0,0|3,0,0]=4 304 B7R1.1 BrCc1ncc[nH]1 1P002YQ4 [0,1,0,0,0,0|3,0,0]=4 305 B7R1.1 BrCc1ncco1 1P01XD2T [0,1,0,0,0,0|2,1,0]=4 306 B7R1.1 BrCc1nccs1 1P000T52 [0,1,0,0,0,0|2,0,0]=3 307 B7R1.1 BrCn1cccn1 1P01B9DJ [0,1,0,0,0,0|3,0,0]=4 308 B7R1.1 C#C[C-]1C=CC=C1 1P000X4W [0,1,0,0,0,0|2,0,1]=4 309 B7R1.1 C#Cc1cccs1 1P0038AO [0,1,0,0,0,0|1,0,0]=2 310 B7R1.1 C#Cc1ccn[nH]1 1P00BJWR [0,1,0,0,0,0|3,0,0]=4 311 B7R1.1 C#Cc1ccns1 1P01C36A [0,1,0,0,0,0|2,0,0]=3 312 B7R1.1 C#Cc1ccon1 1P0276M0 [0,1,0,0,0,0|3,0,0]=4 313 B7R1.1 C#Cc1ccsn1 1P01DRYT [0,1,0,0,0,0|3,0,0]=4 314 B7R1.1 C#Cc1cnc[nH]1 1P00EM44 [0,1,0,0,0,0|3,0,0]=4 315 B7R1.1 C#Cc1cnco1 1P01DRZ2 [0,1,0,0,0,0|2,1,0]=4 316 B7R1.1 C#Cc1cncs1 1P004NIS [0,1,0,0,0,0|2,0,0]=3 317 B7R1.1 C#Cc1cocc1 1P00DGD0 [0,1,0,0,0,0|3,0,0]=4 318 B7R1.1 C#Cc1cscc1 1P003JVK [0,1,0,0,0,0|3,0,0]=4 319 B7R1.1 C#Cc1cscn1 1P007ATS [0,1,0,0,0,0|3,0,0]=4 320 B7R1.1 C#Cc1ncco1 1P028X1G [0,1,0,0,0,0|2,1,0]=4 321 B7R1.1 C#Cc1nccs1 1P0082O0 [0,1,0,0,0,0|2,0,0]=3 322 B7R1.1 C=C[C-]1C=CC=C1 1P000X4U [0,1,0,0,0,0|2,0,1]=4 323 B7R1.1 C=Cc1c[nH]cn1 1P01BJ1I [0,1,0,0,0,0|3,0,0]=4 324 B7R1.1 C=Cc1cc[nH]n1 1P003AWK [0,1,0,0,0,0|3,0,0]=4 325 B7R1.1 C=Cc1ccco1 1P001LLL [0,1,0,0,0,0|1,1,0]=3 326 B7R1.1 C=Cc1cccs1 1P002FXU [0,1,0,0,0,0|1,0,0]=2 327 B7R1.1 C=Cc1cncs1 1P01BRJP [0,1,0,0,0,0|2,0,0]=3 328 B7R1.1 C=Cc1cscc1 1P0012UB [0,1,0,0,0,0|3,0,0]=4 329 B7R1.1 C=Cc1ncc[nH]1 1P00DIAP [0,1,0,0,0,0|3,0,0]=4 330 B7R1.1 C=Cc1ncc[nH]1 1P0285M8 [0,1,0,0,0,0|3,0,0]=4 331 B7R1.1 C=Cc1nccs1 1P00HVP0 [0,1,0,0,0,0|2,0,0]=3 332 B7R1.1 C=Cn1cccc1 1P0080L9 [0,1,0,0,0,0|3,0,0]=4 333 B7R1.1 C=Cn1cccn1 1P00289Z [0,1,0,0,0,0|3,0,0]=4 334 B7R1.1 CC[C-]1C=CC=C1 1P000XD7 [0,1,0,0,0,0|2,0,1]=4 335 B7R1.1 CC[C-]1C=CC=C1 1P000XD9 [0,1,0,0,0,0|2,0,1]=4 336 B7R1.1 CCc1c[nH]cc1 1P00APDI [0,1,0,0,0,0|3,0,0]=4 337 B7R1.1 CCc1cc[nH]n1 1P0018FG [0,1,0,0,0,0|3,0,0]=4 338 B7R1.1 CCc1ccc[nH]1 1P0033RK [0,1,0,0,0,0|2,0,0]=3 339 B7R1.1 CCc1ccco1 1P003HOB [0,1,0,0,0,0|1,1,0]=3 340 B7R1.1 CCc1cccs1 1P003HOV [0,1,0,0,0,0|1,0,0]=2 341 B7R1.1 CCc1ccon1 1P028EIU [0,1,0,0,0,0|3,0,0]=4 342 B7R1.1 CCc1cnc[nH]1 1P001J1R [0,1,0,0,0,0|3,0,0]=4 343 B7R1.1 CCc1cnco1 1P007IH6 [0,1,0,0,0,0|2,1,0]=4 344 B7R1.1 CCc1cocn1 1P01B79E [0,1,0,0,0,0|3,0,0]=4 345 B7R1.1 CCc1cscc1 1P0027I2 [0,1,0,0,0,0|3,0,0]=4 346 B7R1.1 CCc1cscn1 1P00250B [0,1,0,0,0,0|3,0,0]=4 347 B7R1.1 CCc1ncc[nH]1 1P003BOK [0,1,0,0,0,0|3,0,0]=4 348 B7R1.1 CCc1nccs1 1P001PGS [0,1,0,0,0,0|2,0,0]=3 349 B7R1.1 CCn1cccc1 1P00EBJW [0,1,0,0,0,0|3,0,0]=4 350 B7R1.1 CCn1cccn1 1P003ES5 [0,1,0,0,0,0|3,0,0]=4 351 B7R1.1 CNc1cc[nH]n1 1P00E6KF [0,1,0,0,0,0|3,0,0]=4 352 B7R1.1 CNc1ccon1 1P00HS5D [0,1,0,0,0,0|3,0,0]=4 353 B7R1.1 CNc1ccon1 1P00IAF9 [0,1,0,0,0,0|3,0,0]=4 354 B7R1.1 CNc1ccsn1 1P028UZC [0,1,0,0,0,0|3,0,0]=4 355 B7R1.1 CNc1cscc1 1P01B2HP [0,1,0,0,0,0|3,0,0]=4 356 B7R1.1 CNc1ncc[nH]1 1P01BE1C [0,1,0,0,0,0|3,0,0]=4 357 B7R1.1 CNc1ncco1 1P0039ZY [0,1,0,0,0,0|2,1,0]=4 358 B7R1.1 CNc1nccs1 1P00EGBN [0,1,0,0,0,0|2,0,0]=3 359 B7R1.1 CNc1nncs1 1P00I84C [0,1,0,0,0,0|3,0,0]=4 360 B7R1.1 CNn1cccc1 1P02902L [0,1,0,0,0,0|3,0,0]=4 361 B7R1.1 COc1c[nH]cn1 1P0048ET [0,1,0,0,0,0|2,1,0]=4 362 B7R1.1 COc1cc[nH]n1 1P00I4N8 [0,1,0,0,0,0|2,1,0]=4 363 B7R1.1 COc1cccs1 1P001YI0 [0,1,0,0,0,0|0,1,0]=2 364 B7R1.1 COc1ccsn1 1P01BDQO [0,1,0,0,0,0|2,1,0]=4 365 B7R1.1 COc1cscc1 1P0021M3 [0,1,0,0,0,0|2,1,0]=4 366 B7R1.1 COc1nccs1 1P001DHP [0,1,0,0,0,0|1,1,0]=3 367 B7R1.1 COc1nncs1 1P004Y6Z [0,1,0,0,0,0|2,1,0]=4 368 B7R1.1 CSC1=NCCS1 1P002CSS [0,1,0,0,0,0|1,0,2]=4 369 B7R1.1 CSc1c[nH]cn1 1P0036YT [0,1,0,0,0,0|2,0,0]=3 370 B7R1.1 CSc1c[nH]nc1 1P009JTI [0,1,0,0,0,0|3,0,0]=4 371 B7R1.1 CSc1cc[nH]n1 1P0283LV [0,1,0,0,0,0|2,0,0]=3 372 B7R1.1 CSc1ccc[nH]1 1P01ID3L [0,1,0,0,0,0|1,0,0]=2 373 B7R1.1 CSc1ccco1 1P000WBV [0,1,0,0,0,0|0,1,0]=2 374 B7R1.1 CSc1cccs1 1P0033CD [0,1,0,0,0,0|0,0,0]=1 375 B7R1.1 CSc1cncs1 1P01BU59 [0,1,0,0,0,0|1,0,0]=2 376 B7R1.1 CSc1cscc1 1P002JFX [0,1,0,0,0,0|2,0,0]=3 377 B7R1.1 CSc1ncc[nH]1 1P003FKB [0,1,0,0,0,0|2,0,0]=3 378 B7R1.1 CSc1ncco1 1P002DMB [0,1,0,0,0,0|1,1,0]=3 379 B7R1.1 CSc1nccs1 1P003BJA [0,1,0,0,0,0|1,0,0]=2 380 B7R1.1 CSc1nnc[nH]1 1P005U9S [0,1,0,0,0,0|3,0,0]=4 381 B7R1.1 CSc1nnc[nH]1 1P028EL9 [0,1,0,0,0,0|3,0,0]=4 382 B7R1.1 CSc1nncs1 1P028THD [0,1,0,0,0,0|2,0,0]=3 383 B7R1.1 ClCc1c[nH]cn1 1P00I84M [0,1,0,0,0,0|3,0,0]=4 384 B7R1.1 ClCc1cc[nH]n1 1P003IO3 [0,1,0,0,0,0|3,0,0]=4 385 B7R1.1 ClCc1cccs1 1P005XFR [0,1,0,0,0,0|1,0,0]=2 386 B7R1.1 ClCc1ccno1 1P00ECFK [0,1,0,0,0,0|2,1,0]=4 387 B7R1.1 ClCc1ccns1 1P0078AS [0,1,0,0,0,0|2,0,0]=3 388 B7R1.1 ClCc1ccon1 1P00IAQH [0,1,0,0,0,0|3,0,0]=4 389 B7R1.1 ClCc1ccsn1 1P020M65 [0,1,0,0,0,0|3,0,0]=4 390 B7R1.1 ClCc1cnco1 1P007W6B [0,1,0,0,0,0|2,1,0]=4 391 B7R1.1 ClCc1cncs1 1P009I1Z [0,1,0,0,0,0|2,0,0]=3 392 B7R1.1 ClCc1cncs1 1P00DCWM [0,1,0,0,0,0|2,0,0]=3 393 B7R1.1 ClCc1cocn1 1P005ISW [0,1,0,0,0,0|3,0,0]=4 394 B7R1.1 ClCc1cocn1 1P00FH8Z [0,1,0,0,0,0|3,0,0]=4 395 B7R1.1 ClCc1cscc1 1P00C23C [0,1,0,0,0,0|3,0,0]=4 396 B7R1.1 ClCc1cscn1 1P003KNK [0,1,0,0,0,0|3,0,0]=4 397 B7R1.1 ClCc1ncc[nH]1 1P00FDMX [0,1,0,0,0,0|3,0,0]=4 398 B7R1.1 ClCc1ncco1 1P0038DX [0,1,0,0,0,0|2,1,0]=4 399 B7R1.1 ClCc1ncco1 1P028B1R [0,1,0,0,0,0|2,1,0]=4 400 B7R1.1 ClCc1nccs1 1P00FM3G [0,1,0,0,0,0|2,0,0]=3 401 B7R1.1 ClCc1nccs1 1P00I738 [0,1,0,0,0,0|2,0,0]=3 402 B7R1.1 ClCc1nncs1 1P019ZE1 [0,1,0,0,0,0|3,0,0]=4 403 B7R1.1 ClCn1cccn1 1P00FET4 [0,1,0,0,0,0|3,0,0]=4 404 B7R1.1 N#Cc1c[nH]cc1 1P006ADD [0,1,0,0,0,0|3,0,0]=4 405 B7R1.1 N#Cc1ccco1 1P003BOZ [0,1,0,0,0,0|1,1,0]=3 406 B7R1.1 N#Cc1cccs1 1P0001Y6 [0,1,0,0,0,0|1,0,0]=2 407 B7R1.1 N#Cc1cocc1 1P003JYX [0,1,0,0,0,0|3,0,0]=4 408 B7R1.1 N#Cc1cscc1 1P001V4K [0,1,0,0,0,0|3,0,0]=4 409 B7R1.1 N#Cc1ncc[nH]1 1P001B42 [0,1,0,0,0,0|3,0,0]=4 410 B7R1.1 N#Cc1ncc[nH]1 1P0038JH [0,1,0,0,0,0|3,0,0]=4 411 B7R1.1 N#Cc1ncco1 1P0061S1 [0,1,0,0,0,0|2,1,0]=4 412 B7R1.1 N#Cc1nccs1 1P0033WM [0,1,0,0,0,0|2,0,0]=3 413 B7R1.1 NCc1c[nH]cc1 1P008B5V [0,1,0,0,0,0|3,0,0]=4 414 B7R1.1 NCc1c[nH]cn1 1P00FFS6 [0,1,0,0,0,0|3,0,0]=4 415 B7R1.1 NCc1cc[nH]n1 1P00398P [0,1,0,0,0,0|3,0,0]=4 416 B7R1.1 NCc1ccc[nH]1 1P0033BP [0,1,0,0,0,0|2,0,0]=3 417 B7R1.1 NCc1ccc[nH]1 1P006SOC [0,1,0,0,0,0|2,0,0]=3 418 B7R1.1 NCc1ccco1 1P00IBDE [0,1,0,0,0,0|1,1,0]=3 419 B7R1.1 NCc1cccs1 1P002V4I [0,1,0,0,0,0|1,0,0]=2 420 B7R1.1 NCc1ccn[nH]1 1P008UV1 [0,1,0,0,0,0|3,0,0]=4 421 B7R1.1 NCc1ccno1 1P0037YF [0,1,0,0,0,0|2,1,0]=4 422 B7R1.1 NCc1ccno1 1P007323 [0,1,0,0,0,0|2,1,0]=4 423 B7R1.1 NCc1ccns1 1P01B6TZ [0,1,0,0,0,0|2,0,0]=3 424 B7R1.1 NCc1ccns1 1P01B6V6 [0,1,0,0,0,0|2,0,0]=3 425 B7R1.1 NCc1ccon1 1P00811U [0,1,0,0,0,0|3,0,0]=4 426 B7R1.1 NCc1ccon1 1P009337 [0,1,0,0,0,0|3,0,0]=4 427 B7R1.1 NCc1ccsn1 1P0076B9 [0,1,0,0,0,0|3,0,0]=4 428 B7R1.1 NCc1cnco1 1P000PTG [0,1,0,0,0,0|2,1,0]=4 429 B7R1.1 NCc1cncs1 1P001WDD [0,1,0,0,0,0|2,0,0]=3 430 B7R1.1 NCc1cncs1 1P00811W [0,1,0,0,0,0|2,0,0]=3 431 B7R1.1 NCc1cnns1 1P028N1M [0,1,0,0,0,0|3,0,0]=4 432 B7R1.1 NCc1cnns1 1P028QZG [0,1,0,0,0,0|3,0,0]=4 433 B7R1.1 NCc1cocc1 1P0038AA [0,1,0,0,0,0|3,0,0]=4 434 B7R1.1 NCc1cocc1 1P009BQA [0,1,0,0,0,0|3,0,0]=4 435 B7R1.1 NCc1cocn1 1P0039FL [0,1,0,0,0,0|3,0,0]=4 436 B7R1.1 NCc1cocn1 1P00DG0B [0,1,0,0,0,0|3,0,0]=4 437 B7R1.1 NCc1cscc1 1P000GRT [0,1,0,0,0,0|3,0,0]=4 438 B7R1.1 NCc1cscc1 1P002V4H [0,1,0,0,0,0|3,0,0]=4 439 B7R1.1 NCc1cscn1 1P000E2I [0,1,0,0,0,0|3,0,0]=4 440 B7R1.1 NCc1cscn1 1P001WF7 [0,1,0,0,0,0|3,0,0]=4 441 B7R1.1 NCc1nc[nH]c1 1P0038XO [0,1,0,0,0,0|3,0,0]=4 442 B7R1.1 NCc1ncc[nH]1 1P001A1F [0,1,0,0,0,0|3,0,0]=4 443 B7R1.1 NCc1ncc[nH]1 1P003A7Q [0,1,0,0,0,0|3,0,0]=4 444 B7R1.1 NCc1ncco1 1P0038HB [0,1,0,0,0,0|2,1,0]=4 445 B7R1.1 NCc1ncco1 1P028B4B [0,1,0,0,0,0|2,1,0]=4 446 B7R1.1 NCc1nccs1 1P0033BR [0,1,0,0,0,0|2,0,0]=3 447 B7R1.1 NCc1nccs1 1P0037J6 [0,1,0,0,0,0|2,0,0]=3 448 B7R1.1 NCc1nccs1 1P00G4H4 [0,1,0,0,0,0|2,0,0]=3 449 B7R1.1 NCc1ncsc1 1P00J1AF [0,1,0,0,0,0|3,0,0]=4 450 B7R1.1 NCc1ocnc1 1P009I2F [0,1,0,0,0,0|2,1,0]=4 451 B7R1.1 NCc1scnc1 1P0015PG [0,1,0,0,0,0|2,0,0]=3 452 B7R1.1 NCc1scnn1 1P01BSDS [0,1,0,0,0,0|3,0,0]=4 453 B7R1.1 NNc1nccs1 1P007JQK [0,1,0,0,0,0|2,0,0]=3 454 B7R1.1 NNc1ncns1 1P0287PI [0,1,0,0,0,0|3,0,0]=4 455 B7R1.1 O=C[C-]1C=CC=C1 1P000X4V [0,1,0,0,0,0|1,1,1]=4 456 B7R1.1 O=Cc1c[nH]cc1 1P00360O [0,1,0,0,0,0|2,1,0]=4 457 B7R1.1 O=Cc1cc[nH]n1 1P0037YS [0,1,0,0,0,0|2,1,0]=4 458 B7R1.1 O=Cc1ccc[nH]1 1P0001Y8 [0,1,0,0,0,0|1,1,0]=3 459 B7R1.1 O=Cc1ccc[se]1 1P002QYK [0,1,0,0,0,0|0,2,0]=3 460 B7R1.1 O=Cc1ccco1 1P0033SN [0,1,0,0,0,0|0,2,0]=3 461 B7R1.1 O=Cc1cccs1 1P0039RD [0,1,0,0,0,0|0,1,0]=2 462 B7R1.1 O=Cc1ccn[nH]1 1P003EVE [0,1,0,0,0,0|2,1,0]=4 463 B7R1.1 O=Cc1ccno1 1P00ABVW [0,1,0,0,0,0|1,2,0]=4 464 B7R1.1 O=Cc1ccns1 1P00395A [0,1,0,0,0,0|1,1,0]=3 465 B7R1.1 O=Cc1ccon1 1P0036Q6 [0,1,0,0,0,0|2,1,0]=4 466 B7R1.1 O=Cc1ccsn1 1P01E7HF [0,1,0,0,0,0|2,1,0]=4 467 B7R1.1 O=Cc1cnc[nH]1 1P00309Z [0,1,0,0,0,0|2,1,0]=4 468 B7R1.1 O=Cc1cnco1 1P007RNX [0,1,0,0,0,0|1,2,0]=4 469 B7R1.1 O=Cc1cncs1 1P0001Y5 [0,1,0,0,0,0|1,1,0]=3 470 B7R1.1 O=Cc1cnns1 1P01SU11 [0,1,0,0,0,0|2,1,0]=4 471 B7R1.1 O=Cc1cocc1 1P003JYV [0,1,0,0,0,0|2,1,0]=4 472 B7R1.1 O=Cc1cocn1 1P0039FC [0,1,0,0,0,0|2,1,0]=4 473 B7R1.1 O=Cc1cscc1 1P00348X [0,1,0,0,0,0|2,1,0]=4 474 B7R1.1 O=Cc1cscn1 1P007D9X [0,1,0,0,0,0|2,1,0]=4 475 B7R1.1 O=Cc1ncc[nH]1 1P00047Y [0,1,0,0,0,0|2,1,0]=4 476 B7R1.1 O=Cc1ncco1 1P0037C2 [0,1,0,0,0,0|1,2,0]=4 477 B7R1.1 O=Cc1nccs1 1P0006QL [0,1,0,0,0,0|1,1,0]=3 478 B7R1.1 O=Cc1nncs1 1P001KQO [0,1,0,0,0,0|2,1,0]=4 479 B7R1.1 OC[C-]1C=CC=C1 1P000XDA [0,1,0,0,0,0|1,1,1]=4 480 B7R1.1 OC[C-]1C=CC=C1 1P000ZBP [0,1,0,0,0,0|1,1,1]=4 481 B7R1.1 OCc1c[nH]cc1 1P00FVQG [0,1,0,0,0,0|2,1,0]=4 482 B7R1.1 OCc1c[nH]cn1 1P0038JP [0,1,0,0,0,0|2,1,0]=4 483 B7R1.1 OCc1c[nH]cn1 1P0056GC [0,1,0,0,0,0|2,1,0]=4 484 B7R1.1 OCc1cc[nH]n1 1P002O87 [0,1,0,0,0,0|2,1,0]=4 485 B7R1.1 OCc1ccco1 1P003R60 [0,1,0,0,0,0|0,2,0]=3 486 B7R1.1 OCc1cccs1 1P003BQJ [0,1,0,0,0,0|0,1,0]=2 487 B7R1.1 OCc1ccno1 1P006AUF [0,1,0,0,0,0|1,2,0]=4 488 B7R1.1 OCc1ccns1 1P00ACUC [0,1,0,0,0,0|1,1,0]=3 489 B7R1.1 OCc1ccon1 1P0036QI [0,1,0,0,0,0|2,1,0]=4 490 B7R1.1 OCc1ccsn1 1P01V5TO [0,1,0,0,0,0|2,1,0]=4 491 B7R1.1 OCc1cnco1 1P000X8T [0,1,0,0,0,0|1,2,0]=4 492 B7R1.1 OCc1cncs1 1P0034R1 [0,1,0,0,0,0|1,1,0]=3 493 B7R1.1 OCc1cnns1 1P008RO7 [0,1,0,0,0,0|2,1,0]=4 494 B7R1.1 OCc1cocc1 1P0072QO [0,1,0,0,0,0|2,1,0]=4 495 B7R1.1 OCc1cocn1 1P001ON1 [0,1,0,0,0,0|2,1,0]=4 496 B7R1.1 OCc1cscc1 1P003KDJ [0,1,0,0,0,0|2,1,0]=4 497 B7R1.1 OCc1cscn1 1P003AEU [0,1,0,0,0,0|2,1,0]=4 498 B7R1.1 OCc1ncc[nH]1 1P000CAH [0,1,0,0,0,0|2,1,0]=4 499 B7R1.1 OCc1ncc[nH]1 1P00BYAS [0,1,0,0,0,0|2,1,0]=4 500 B7R1.1 OCc1ncco1 1P000V32 [0,1,0,0,0,0|1,2,0]=4 501 B7R1.1 OCc1nccs1 1P001DHQ [0,1,0,0,0,0|1,1,0]=3 502 B7R1.1 OCc1nncs1 1P00E8XG [0,1,0,0,0,0|2,1,0]=4 503 B7R1.1 OCn1cccn1 1P007CY4 [0,1,0,0,0,0|2,1,0]=4 504 B7R1.1 SCC1=CCCC1 1P0283Z5 [0,1,0,0,0,0|1,0,2]=4 505 B7R1.1 SCc1ccc[nH]1 1P01DX9D [0,1,0,0,0,0|1,0,0]=2 506 B7R1.1 SCc1ccco1 1P003R61 [0,1,0,0,0,0|0,1,0]=2 507 B7R1.1 SCc1cccs1 1P003IEO [0,1,0,0,0,0|0,0,0]=1 508 B7R1.1 SCc1ccno1 1P020M66 [0,1,0,0,0,0|1,1,0]=3 509 B7R1.1 SCc1ccon1 1P020M64 [0,1,0,0,0,0|2,0,0]=3 510 B7R1.1 SCc1cncs1 1P028027 [0,1,0,0,0,0|1,0,0]=2 511 B7R1.1 SCc1cocc1 1P01Q6AT [0,1,0,0,0,0|2,0,0]=3 512 B7R1.1 SCc1cocn1 1P028V8N [0,1,0,0,0,0|2,0,0]=3 513 B7R1.1 SCc1conc1 1P028BD5 [0,1,0,0,0,0|3,0,0]=4 514 B7R1.1 SCc1cscc1 1P001V2D [0,1,0,0,0,0|2,0,0]=3 515 B7R1.1 SCc1cscn1 1P007YQ1 [0,1,0,0,0,0|2,0,0]=3 516 B7R1.1 SCc1nccs1 1P020M67 [0,1,0,0,0,0|1,0,0]=2 517 B7R1.1 c1c(nc[nH]1)C#N 1P003823 [0,1,0,0,0,0|3,0,0]=4 518 B7R1.1 c1c[nH]nc1C#N 1P0037RS [0,1,0,0,0,0|3,0,0]=4 519 B7R1.1 c1cnoc1C#N 1P00FFST [0,1,0,0,0,0|2,1,0]=4 520 B7R1.1 c1conc1C#N 1P0061S2 [0,1,0,0,0,0|3,0,0]=4 521 B7R1.1 c1csnc1C#N 1P006VD3 [0,1,0,0,0,0|3,0,0]=4 522 B7R1.1 c1ncoc1C#N 1P00FEG2 [0,1,0,0,0,0|2,1,0]=4 523 B7R1.1 c1ncsc1C#N 1P007MOG [0,1,0,0,0,0|2,0,0]=3 524 B7R1.1 c1ocnc1C#N 1P003MEO [0,1,0,0,0,0|3,0,0]=4 525 B7R1.1 c1scnc1C#N 1P007KK2 [0,1,0,0,0,0|3,0,0]=4 526 B7R1.2 BrC1=CC(=O)CC1 1P01DIGH [0,1,0,0,0,0|1,1,1]=4 527 B7R1.2 BrC1=CC(=O)OC1 1P00EL61 [0,1,0,0,0,0|0,2,1]=4 528 B7R1.2 BrC1C=CC(=O)O1 1P00CLVZ [0,1,0,0,0,0|0,2,1]=4 529 B7R1.2 Brc1[nH][nH]c(=N)c1 1P00IJ6L [0,1,0,0,0,0|3,0,0]=4 530 B7R1.2 Brc1[nH]nc(c1)Br 1P00ILLJ [0,1,0,0,0,0|3,0,0]=4 531 B7R1.2 Brc1ccc([se]1)Br 1P0021HJ [0,1,0,0,0,0|1,1,0]=3 532 B7R1.2 Brc1ccc(o1)Br 1P0033GQ [0,1,0,0,0,0|1,1,0]=3 533 B7R1.2 Brc1ccc(s1)Br 1P003GDK [0,1,0,0,0,0|1,0,0]=2 534 B7R1.2 Brc1ccc(s1)I 1P002Z2N [0,1,0,0,0,0|1,0,0]=2 535 B7R1.2 Brc1cnc([nH]1)C 1P001TQX [0,1,0,0,0,0|3,0,0]=4 536 B7R1.2 Brc1cnc([nH]1)I 1P0240J1 [0,1,0,0,0,0|3,0,0]=4 537 B7R1.2 Brc1cnc(o1)C 1P01AD3O [0,1,0,0,0,0|2,1,0]=4 538 B7R1.2 Brc1cnc(s1)C 1P003MYG [0,1,0,0,0,0|2,0,0]=3 539 B7R1.2 Brc1cnc(s1)Cl 1P00309U [0,1,0,0,0,0|2,0,0]=3 540 B7R1.2 Brc1cnc(s1)I 1P0094WD [0,1,0,0,0,0|2,0,0]=3 541 B7R1.2 Brc1cnc(s1)N 1P000PRN [0,1,0,0,0,0|2,0,0]=3 542 B7R1.2 Brc1cnc(s1)N 1P007NH8 [0,1,0,0,0,0|2,0,0]=3 543 B7R1.2 Brc1cnc(s1)N 1P00IBAQ [0,1,0,0,0,0|2,0,0]=3 544 B7R1.2 Brc1csc(c1)C 1P002YT6 [0,1,0,0,0,0|1,0,0]=2 545 B7R1.2 Brc1csc(c1)Cl 1P0037TQ [0,1,0,0,0,0|1,0,0]=2 546 B7R1.2 Brc1csc(c1)I 1P00ICX3 [0,1,0,0,0,0|1,0,0]=2 547 B7R1.2 Brc1csc(n1)C 1P003LDZ [0,1,0,0,0,0|2,0,0]=3 548 B7R1.2 Brc1csc(n1)Cl 1P00GUSG [0,1,0,0,0,0|2,0,0]=3 549 B7R1.2 Brc1csc(n1)F 1P0095MV [0,1,0,0,0,0|2,0,0]=3 550 B7R1.2 Brc1csc(n1)N 1P0034FG [0,1,0,0,0,0|2,0,0]=3 551 B7R1.2 Brc1csc(n1)O 1P00953P [0,1,0,0,0,0|1,1,0]=3 552 B7R1.2 Brc1n[nH]c(c1)C 1P00EISV [0,1,0,0,0,0|3,0,0]=4 553 B7R1.2 Brc1n[nH]c(c1)Cl 1P01CAM0 [0,1,0,0,0,0|3,0,0]=4 554 B7R1.2 Brc1n[nH]c(c1)N 1P003A9H [0,1,0,0,0,0|3,0,0]=4 555 B7R1.2 Brc1ncc([nH]1)Br 1P00390Z [0,1,0,0,0,0|3,0,0]=4 556 B7R1.2 Brc1ncc(s1)Br 1P00BYXF [0,1,0,0,0,0|2,0,0]=3 557 B7R1.2 Brc1nnc(s1)Br 1P00331N [0,1,0,0,0,0|3,0,0]=4 558 B7R1.2 Brc1noc(c1)C 1P003871 [0,1,0,0,0,0|2,1,0]=4 559 B7R1.2 Brc1nsc(n1)C 1P01BYEV [0,1,0,0,0,0|3,0,0]=4 560 B7R1.2 Brc1nsc(n1)Cl 1P003994 [0,1,0,0,0,0|3,0,0]=4 561 B7R1.2 Brc1nsc(n1)N 1P0084SC [0,1,0,0,0,0|3,0,0]=4 562 B7R1.2 Brc1occ(n1)Br 1P020MM0 [0,1,0,0,0,0|2,1,0]=4 563 B7R1.2 Brc1scc(c1)Br 1P0033FJ [0,1,0,0,0,0|1,0,0]=2 564 B7R1.2 Brc1scc(n1)Br 1P0033FI [0,1,0,0,0,0|2,0,0]=3 565 B7R1.2 CC1=CC(=O)CC1 1P002ULZ [0,1,0,0,0,0|1,1,1]=4 566 B7R1.2 CC1=CC(=O)N=N1 1P01HFI0 [0,1,0,0,0,0|2,1,0]=4 567 B7R1.2 CC1=CC(=O)OC1 1P003M8M [0,1,0,0,0,0|0,2,1]=4 568 B7R1.2 CC1=CCC(=O)O1 1P001512 [0,1,0,0,0,0|0,2,1]=4 569 B7R1.2 CC1C=CC(=O)O1 1P0034RE [0,1,0,0,0,0|0,2,1]=4 570 B7R1.2 CC1C=CC(=O)S1 1P006AW5 [0,1,0,0,0,0|0,1,1]=3 571 B7R1.2 CN1N=CC(=C1)S 1P01FWVE [0,1,0,0,0,0|3,0,0]=4 572 B7R1.2 Cc1[nH][nH]c(=O)c1 1P0011IO [0,1,0,0,0,0|2,1,0]=4 573 B7R1.2 Cc1[nH]cc(c1)C 1P0036EO [0,1,0,0,0,0|2,0,0]=3 574 B7R1.2 Cc1[nH]cc(n1)C 1P0033GF [0,1,0,0,0,0|3,0,0]=4 575 B7R1.2 Cc1[nH]nc(c1)C 1P00340B [0,1,0,0,0,0|3,0,0]=4 576 B7R1.2 Cc1c[nH]c(=O)[nH]1 1P000ITB [0,1,0,0,0,0|2,1,0]=4 577 B7R1.2 Cc1c[nH]c(=O)s1 1P005LJG [0,1,0,0,0,0|1,1,0]=3 578 B7R1.2 Cc1c[nH]c(n1)Br 1P028WVE [0,1,0,0,0,0|3,0,0]=4 579 B7R1.2 Cc1c[nH]c(n1)I 1P00FDDF [0,1,0,0,0,0|3,0,0]=4 580 B7R1.2 Cc1c[nH]c(n1)N 1P00FB1G [0,1,0,0,0,0|3,0,0]=4 581 B7R1.2 Cc1c[nH]c(n1)S 1P007G57 [0,1,0,0,0,0|2,0,0]=3 582 B7R1.2 Cc1cc(=O)[nH]o1 1P00013U [0,1,0,0,0,0|2,1,0]=4 583 B7R1.2 Cc1ccc([nH]1)C 1P0033H9 [0,1,0,0,0,0|2,0,0]=3 584 B7R1.2 Cc1ccc(o1)Br 1P000LMO [0,1,0,0,0,0|1,1,0]=3 585 B7R1.2 Cc1ccc(o1)C 1P00IBHV [0,1,0,0,0,0|1,1,0]=3 586 B7R1.2 Cc1ccc(s1)Br 1P003H6V [0,1,0,0,0,0|1,0,0]=2 587 B7R1.2 Cc1ccc(s1)C 1P0037FV [0,1,0,0,0,0|1,0,0]=2 588 B7R1.2 Cc1ccc(s1)Cl 1P003BNY [0,1,0,0,0,0|1,0,0]=2 589 B7R1.2 Cc1ccc(s1)I 1P001VNL [0,1,0,0,0,0|1,0,0]=2 590 B7R1.2 Cc1ccc(s1)O 1P01DWX2 [0,1,0,0,0,0|0,1,0]=2 591 B7R1.2 Cc1ccc(s1)S 1P00D0KV [0,1,0,0,0,0|0,0,0]=1 592 B7R1.2 Cc1ccn(c1)C 1P01BKQP [0,1,0,0,0,0|3,0,0]=4 593 B7R1.2 Cc1ccn(c1)N 1P024RJW [0,1,0,0,0,0|3,0,0]=4 594 B7R1.2 Cc1ccn(n1)C 1P00332M [0,1,0,0,0,0|3,0,0]=4 595 B7R1.2 Cc1cnc([nH]1)Br 1P002NCF [0,1,0,0,0,0|3,0,0]=4 596 B7R1.2 Cc1cnc([nH]1)Cl 1P01ZYD1 [0,1,0,0,0,0|3,0,0]=4 597 B7R1.2 Cc1cnc([nH]1)N 1P008U4V [0,1,0,0,0,0|3,0,0]=4 598 B7R1.2 Cc1cnc(o1)Br 1P009D83 [0,1,0,0,0,0|2,1,0]=4 599 B7R1.2 Cc1cnc(o1)Cl 1P01EIR2 [0,1,0,0,0,0|2,1,0]=4 600 B7R1.2 Cc1cnc(o1)I 1P027TXE [0,1,0,0,0,0|2,1,0]=4 601 B7R1.2 Cc1cnc(o1)N 1P003846 [0,1,0,0,0,0|2,1,0]=4 602 B7R1.2 Cc1cnc(s1)Br 1P0033ML [0,1,0,0,0,0|2,0,0]=3 603 B7R1.2 Cc1cnc(s1)Cl 1P00I6ZQ [0,1,0,0,0,0|2,0,0]=3 604 B7R1.2 Cc1cnc(s1)F 1P003AHM [0,1,0,0,0,0|2,0,0]=3 605 B7R1.2 Cc1cnc(s1)I 1P00G9TC [0,1,0,0,0,0|2,0,0]=3 606 B7R1.2 Cc1cnc(s1)N 1P003GY4 [0,1,0,0,0,0|2,0,0]=3 607 B7R1.2 Cc1cnc(s1)N 1P01D9HV [0,1,0,0,0,0|2,0,0]=3 608 B7R1.2 Cc1cnn(c1)C 1P003E5J [0,1,0,0,0,0|3,0,0]=4 609 B7R1.2 Cc1coc(=S)[nH]1 1P000UJM [0,1,0,0,0,0|1,1,1]=4 610 B7R1.2 Cc1coc(n1)Br 1P0090WY [0,1,0,0,0,0|2,1,0]=4 611 B7R1.2 Cc1coc(n1)Br 1P01B9KK [0,1,0,0,0,0|2,1,0]=4 612 B7R1.2 Cc1coc(n1)Cl 1P027ZTX [0,1,0,0,0,0|2,1,0]=4 613 B7R1.2 Cc1coc(n1)I 1P01DW1G [0,1,0,0,0,0|2,1,0]=4 614 B7R1.2 Cc1coc(n1)N 1P00I7J9 [0,1,0,0,0,0|2,1,0]=4 615 B7R1.2 Cc1csc(=O)[nH]1 1P00CLWY [0,1,0,0,0,0|1,1,0]=3 616 B7R1.2 Cc1csc(=S)[nH]1 1P003M9I [0,1,0,0,0,0|1,0,1]=3 617 B7R1.2 Cc1csc(c1)Br 1P00DIEK [0,1,0,0,0,0|1,0,0]=2 618 B7R1.2 Cc1csc(c1)N 1P001FKH [0,1,0,0,0,0|1,0,0]=2 619 B7R1.2 Cc1csc(c1)N 1P00H1HI [0,1,0,0,0,0|1,0,0]=2 620 B7R1.2 Cc1csc(c1)S 1P01BJTY [0,1,0,0,0,0|0,0,0]=1 621 B7R1.2 Cc1csc(n1)Br 1P005IFO [0,1,0,0,0,0|2,0,0]=3 622 B7R1.2 Cc1csc(n1)Cl 1P00387L [0,1,0,0,0,0|2,0,0]=3 623 B7R1.2 Cc1csc(n1)I 1P00CLZN [0,1,0,0,0,0|2,0,0]=3 624 B7R1.2 Cc1csc(n1)N 1P001SAV [0,1,0,0,0,0|2,0,0]=3 625 B7R1.2 Cc1csc(n1)N 1P003GWA [0,1,0,0,0,0|2,0,0]=3 626 B7R1.2 Cc1csc(n1)S 1P00EKE6 [0,1,0,0,0,0|1,0,0]=2 627 B7R1.2 Cc1n[nH]c(=O)s1 1P008IX1 [0,1,0,0,0,0|2,1,0]=4 628 B7R1.2 Cc1n[nH]c(c1)Br 1P00EISX [0,1,0,0,0,0|3,0,0]=4 629 B7R1.2 Cc1n[nH]c(c1)N 1P00I5JL [0,1,0,0,0,0|3,0,0]=4 630 B7R1.2 Cc1n[nH]c(c1)O 1P0011IB [0,1,0,0,0,0|2,1,0]=4 631 B7R1.2 Cc1ncc(o1)C 1P002MBO [0,1,0,0,0,0|2,1,0]=4 632 B7R1.2 Cc1ncc(s1)C 1P0038D4 [0,1,0,0,0,0|2,0,0]=3 633 B7R1.2 Cc1nnc(o1)S 1P00BXBM [0,1,0,0,0,0|2,1,0]=4 634 B7R1.2 Cc1nnc(s1)Br 1P00D9DA [0,1,0,0,0,0|3,0,0]=4 635 B7R1.2 Cc1nnc(s1)C 1P003GFU [0,1,0,0,0,0|3,0,0]=4 636 B7R1.2 Cc1nnc(s1)Cl 1P00E45W [0,1,0,0,0,0|3,0,0]=4 637 B7R1.2 Cc1nnc(s1)N 1P00845C [0,1,0,0,0,0|3,0,0]=4 638 B7R1.2 Cc1nnc(s1)S 1P00I5X9 [0,1,0,0,0,0|2,0,0]=3 639 B7R1.2 Cc1noc(c1)Br 1P000T5G [0,1,0,0,0,0|2,1,0]=4 640 B7R1.2 Cc1noc(c1)Cl 1P01A225 [0,1,0,0,0,0|2,1,0]=4 641 B7R1.2 Cc1noc(c1)I 1P000RWK [0,1,0,0,0,0|2,1,0]=4 642 B7R1.2 Cc1noc(c1)N 1P001ES3 [0,1,0,0,0,0|2,1,0]=4 643 B7R1.2 Cc1noc(c1)O 1P019SLV [0,1,0,0,0,0|1,2,0]=4 644 B7R1.2 Cc1noc(n1)S 1P01AA9M [0,1,0,0,0,0|2,1,0]=4 645 B7R1.2 Cc1nsc(=O)o1 1P01A4NH [0,1,0,0,0,0|2,1,0]=4 646 B7R1.2 Cc1nsc(c1)Br 1P002A8D [0,1,0,0,0,0|2,0,0]=3 647 B7R1.2 Cc1nsc(c1)Cl 1P00C1RP [0,1,0,0,0,0|2,0,0]=3 648 B7R1.2 Cc1nsc(c1)I 1P00BGK5 [0,1,0,0,0,0|2,0,0]=3 649 B7R1.2 Cc1nsc(c1)N 1P003A0Z [0,1,0,0,0,0|2,0,0]=3 650 B7R1.2 Cc1nsc(c1)N 1P006WQP [0,1,0,0,0,0|2,0,0]=3 651 B7R1.2 Cc1nsc(n1)Br 1P00394D [0,1,0,0,0,0|3,0,0]=4 652 B7R1.2 Cc1nsc(n1)Cl 1P00C1RX [0,1,0,0,0,0|3,0,0]=4 653 B7R1.2 Cc1nsc(n1)N 1P0020BM [0,1,0,0,0,0|3,0,0]=4 654 B7R1.2 Cc1occ(c1)C 1P00CVZ8 [0,1,0,0,0,0|1,1,0]=3 655 B7R1.2 Cc1occ(n1)C 1P003GB6 [0,1,0,0,0,0|2,1,0]=4 656 B7R1.2 Cc1onc(c1)C 1P003J5N [0,1,0,0,0,0|2,1,0]=4 657 B7R1.2 Cc1scc(c1)C 1P00E9VH [0,1,0,0,0,0|1,0,0]=2 658 B7R1.2 Cc1scc(n1)C 1P0037JU [0,1,0,0,0,0|2,0,0]=3 659 B7R1.2 ClC1=CC(=O)CC1 1P00DQD8 [0,1,0,0,0,0|1,1,1]=4 660 B7R1.2 Clc1c[nH]c(=N)s1 1P00C111 [0,1,0,0,0,0|2,0,0]=3 661 B7R1.2 Clc1c[nH]c(=O)s1 1P024GK3 [0,1,0,0,0,0|1,1,0]=3 662 B7R1.2 Clc1cc(=O)[nH]s1 1P00387B [0,1,0,0,0,0|2,0,0]=3 663 B7R1.2 Clc1ccc(s1)Br 1P002WQS [0,1,0,0,0,0|1,0,0]=2 664 B7R1.2 Clc1ccc(s1)Cl 1P003GEI [0,1,0,0,0,0|1,0,0]=2 665 B7R1.2 Clc1ccc(s1)I 1P002WOU [0,1,0,0,0,0|1,0,0]=2 666 B7R1.2 Clc1cnc(s1)Br 1P00AMFV [0,1,0,0,0,0|2,0,0]=3 667 B7R1.2 Clc1cnc(s1)C 1P01BBPJ [0,1,0,0,0,0|2,0,0]=3 668 B7R1.2 Clc1cnc(s1)F 1P0291R4 [0,1,0,0,0,0|2,0,0]=3 669 B7R1.2 Clc1cnc(s1)N 1P003GXI [0,1,0,0,0,0|2,0,0]=3 670 B7R1.2 Clc1csc(c1)Br 1P00I6LU [0,1,0,0,0,0|1,0,0]=2 671 B7R1.2 Clc1csc(c1)I 1P028AXN [0,1,0,0,0,0|1,0,0]=2 672 B7R1.2 Clc1csc(n1)Br 1P001BXK [0,1,0,0,0,0|2,0,0]=3 673 B7R1.2 Clc1csc(n1)F 1P00E7UA [0,1,0,0,0,0|2,0,0]=3 674 B7R1.2 Clc1csc(n1)N 1P003LP8 [0,1,0,0,0,0|2,0,0]=3 675 B7R1.2 Clc1n[nH]c(=O)s1 1P01BDUU [0,1,0,0,0,0|2,1,0]=4 676 B7R1.2 Clc1n[nH]c(c1)C 1P001RM2 [0,1,0,0,0,0|3,0,0]=4 677 B7R1.2 Clc1ncc([nH]1)Cl 1P0293E4 [0,1,0,0,0,0|3,0,0]=4 678 B7R1.2 Clc1ncc(s1)Cl 1P00ANA1 [0,1,0,0,0,0|2,0,0]=3 679 B7R1.2 Clc1nnc(s1)Cl 1P00CM6L [0,1,0,0,0,0|3,0,0]=4 680 B7R1.2 Clc1nsc(n1)N 1P01K1EQ [0,1,0,0,0,0|3,0,0]=4 681 B7R1.2 Clc1scc(c1)Cl 1P027EOK [0,1,0,0,0,0|1,0,0]=2 682 B7R1.2 Clc1scc(n1)Cl 1P003G8G [0,1,0,0,0,0|2,0,0]=3 683 B7R1.2 Clc1snc(n1)Cl 1P00C2IM [0,1,0,0,0,0|3,0,0]=4 684 B7R1.2 Cn1cc(cn1)Br 1P001QEF [0,1,0,0,0,0|3,0,0]=4 685 B7R1.2 Cn1cc(cn1)Cl 1P003LIS [0,1,0,0,0,0|3,0,0]=4 686 B7R1.2 Cn1cc(cn1)F 1P01JWK7 [0,1,0,0,0,0|3,0,0]=4 687 B7R1.2 Cn1cc(cn1)I 1P003M0U [0,1,0,0,0,0|3,0,0]=4 688 B7R1.2 Cn1cc(cn1)N 1P000X5K [0,1,0,0,0,0|3,0,0]=4 689 B7R1.2 Cn1cc(cn1)N 1P003L4D [0,1,0,0,0,0|3,0,0]=4 690 B7R1.2 Cn1cc(cn1)O 1P003AKQ [0,1,0,0,0,0|3,0,0]=4 691 B7R1.2 Cn1cc(cn1)O 1P01AFQM [0,1,0,0,0,0|3,0,0]=4 692 B7R1.2 Cn1cc(nc1)Br 1P003LBQ [0,1,0,0,0,0|3,0,0]=4 693 B7R1.2 Cn1cc(nc1)I 1P0034JD [0,1,0,0,0,0|3,0,0]=4 694 B7R1.2 Cn1cc(nc1)N 1P0036FQ [0,1,0,0,0,0|3,0,0]=4 695 B7R1.2 Cn1ccc(=O)[nH]1 1P00DIE4 [0,1,0,0,0,0|2,1,0]=4 696 B7R1.2 Cn1ccc(c1)N 1P000JBD [0,1,0,0,0,0|3,0,0]=4 697 B7R1.2 Cn1ccc(n1)Br 1P001NIN [0,1,0,0,0,0|3,0,0]=4 698 B7R1.2 Cn1ccc(n1)Cl 1P00EE7Y [0,1,0,0,0,0|3,0,0]=4 699 B7R1.2 Cn1ccc(n1)F 1P0276L4 [0,1,0,0,0,0|3,0,0]=4 700 B7R1.2 Cn1ccc(n1)I 1P00377H [0,1,0,0,0,0|3,0,0]=4 701 B7R1.2 Cn1ccc(n1)N 1P002F0L [0,1,0,0,0,0|3,0,0]=4 702 B7R1.2 Cn1cnc(c1)C 1P00EDBF [0,1,0,0,0,0|3,0,0]=4 703 B7R1.2 Fc1ccc(s1)Br 1P00CRCX [0,1,0,0,0,0|1,0,0]=2 704 B7R1.2 Fc1ccc(s1)I 1P01APFB [0,1,0,0,0,0|1,0,0]=2 705 B7R1.2 Fc1cnc(s1)Br 1P0095WU [0,1,0,0,0,0|2,0,0]=3 706 B7R1.2 Fc1cnc(s1)N 1P005K4Z [0,1,0,0,0,0|2,0,0]=3 707 B7R1.2 Fc1cnc(s1)N 1P006TUC [0,1,0,0,0,0|2,0,0]=3 708 B7R1.2 Fc1csc(c1)Br 1P00CA59 [0,1,0,0,0,0|1,0,0]=2 709 B7R1.2 IC1=CC(=O)CC1 1P00EZK7 [0,1,0,0,0,0|1,1,1]=4 710 B7R1.2 Ic1ccc(s1)I 1P003GFD [0,1,0,0,0,0|1,0,0]=2 711 B7R1.2 Ic1cnc([nH]1)C 1P0036ZU [0,1,0,0,0,0|3,0,0]=4 712 B7R1.2 Ic1cnc(o1)C 1P027ZEI [0,1,0,0,0,0|2,1,0]=4 713 B7R1.2 Ic1cnc(s1)Br 1P007VCH [0,1,0,0,0,0|2,0,0]=3 714 B7R1.2 Ic1cnc(s1)C 1P01BK7H [0,1,0,0,0,0|2,0,0]=3 715 B7R1.2 Ic1cnc(s1)Cl 1P020LTQ [0,1,0,0,0,0|2,0,0]=3 716 B7R1.2 Ic1csc(c1)C 1P001VNM [0,1,0,0,0,0|1,0,0]=2 717 B7R1.2 Ic1csc(c1)Cl 1P00NK34 [0,1,0,0,0,0|1,0,0]=2 718 B7R1.2 Ic1n[nH]c(c1)C 1P006I46 [0,1,0,0,0,0|3,0,0]=4 719 B7R1.2 Ic1ncc([nH]1)I 1P002G12 [0,1,0,0,0,0|3,0,0]=4 720 B7R1.2 Ic1occ(n1)I 1P003GA3 [0,1,0,0,0,0|2,1,0]=4 721 B7R1.2 NC1=CC(=O)CC1 1P002W78 [0,1,0,0,0,0|1,1,1]=4 722 B7R1.2 Nc1[nH][nH]c(=O)c1 1P002VZO [0,1,0,0,0,0|2,1,0]=4 723 B7R1.2 Nc1[nH]nc(c1)N 1P001VV5 [0,1,0,0,0,0|3,0,0]=4 724 B7R1.2 Nc1cc(=O)[nH]o1 1P005GYW [0,1,0,0,0,0|2,1,0]=4 725 B7R1.2 Nc1cnc(s1)C 1P00417S [0,1,0,0,0,0|2,0,0]=3 726 B7R1.2 Nc1cnn(c1)C 1P003EXV [0,1,0,0,0,0|3,0,0]=4 727 B7R1.2 Nc1csc(c1)Br 1P01LOUQ [0,1,0,0,0,0|1,0,0]=2 728 B7R1.2 Nc1csc(c1)C 1P00BGJR [0,1,0,0,0,0|1,0,0]=2 729 B7R1.2 Nc1csc(c1)Cl 1P001DBG [0,1,0,0,0,0|1,0,0]=2 730 B7R1.2 Nc1csc(n1)Br 1P0038D7 [0,1,0,0,0,0|2,0,0]=3 731 B7R1.2 Nc1csc(n1)C 1P0022AG [0,1,0,0,0,0|2,0,0]=3 732 B7R1.2 Nc1n[nH]c(=O)s1 1P01BD6D [0,1,0,0,0,0|2,1,0]=4 733 B7R1.2 Nc1n[nH]c(c1)C 1P00BCWR [0,1,0,0,0,0|3,0,0]=4 734 B7R1.2 Nc1n[nH]c(c1)Cl 1P00IH99 [0,1,0,0,0,0|3,0,0]=4 735 B7R1.2 Nc1n[nH]c(c1)F 1P000HKP [0,1,0,0,0,0|3,0,0]=4 736 B7R1.2 Nc1n[nH]c(c1)O 1P003418 [0,1,0,0,0,0|2,1,0]=4 737 B7R1.2 Nc1n[nH]c(n1)S 1P00341V [0,1,0,0,0,0|3,0,0]=4 738 B7R1.2 Nc1ncn(c1)C 1P0013KD [0,1,0,0,0,0|3,0,0]=4 739 B7R1.2 Nc1nnc(s1)Br 1P0033K4 [0,1,0,0,0,0|3,0,0]=4 740 B7R1.2 Nc1nnc(s1)Cl 1P00CAFL [0,1,0,0,0,0|3,0,0]=4 741 B7R1.2 Nc1nnc(s1)N 1P002YN2 [0,1,0,0,0,0|3,0,0]=4 742 B7R1.2 Nc1nnc(s1)S 1P0034N5 [0,1,0,0,0,0|2,0,0]=3 743 B7R1.2 Nc1noc(c1)C 1P003JDC [0,1,0,0,0,0|2,1,0]=4 744 B7R1.2 Nc1nsc(c1)C 1P01AMKD [0,1,0,0,0,0|2,0,0]=3 745 B7R1.2 Nc1nsc(n1)C 1P00C4CF [0,1,0,0,0,0|3,0,0]=4 746 B7R1.2 Nc1nsc(n1)Cl 1P00DHNF [0,1,0,0,0,0|3,0,0]=4 747 B7R1.2 Nc1onc(c1)N 1P01A8LY [0,1,0,0,0,0|2,1,0]=4 748 B7R1.2 Nc1scc(n1)N 1P00FHHM [0,1,0,0,0,0|2,0,0]=3 749 B7R1.2 Nc1snc(n1)N 1P00CII6 [0,1,0,0,0,0|3,0,0]=4 750 B7R1.2 Nc1ssc(=S)n1 1P0038YR [0,1,0,0,0,0|2,0,1]=4 751 B7R1.2 Nn1cc(cn1)Br 1P0017RI [0,1,0,0,0,0|3,0,0]=4 752 B7R1.2 O=C1C=CC(=O)C1 1P003LQK [0,1,0,0,0,0|1,1,0]=3 753 B7R1.2 O=C1C=CC(=O)N1 1P0035L0 [0,1,0,0,0,0|1,1,0]=3 754 B7R1.2 O=C1C=CC(=O)O1 1P0035KZ [0,1,0,0,0,0|0,2,0]=3 755 B7R1.2 O=C1C=CC(=O)O1 1P01G8TR [0,1,0,0,0,0|0,2,0]=3 756 B7R1.2 O=C1CC=C(O1)C 1P0035K2 [0,1,0,0,0,0|0,2,1]=4 757 B7R1.2 O=C1CN=C(S1)N 1P00GEYG [0,1,0,0,0,0|1,1,1]=4 758 B7R1.2 O=C1CNC(=S)S1 1P003HYV [0,1,0,0,0,0|1,0,2]=4 759 B7R1.2 O=C1COC(=C1)C 1P00CL5L [0,1,0,0,0,0|1,1,1]=4 760 B7R1.2 O=C1CSC(=N1)N 1P003UH3 [0,1,0,0,0,0|2,0,1]=4 761 B7R1.2 O=C1CSC(=N1)N 1P00BC7L [0,1,0,0,0,0|2,0,1]=4 762 B7R1.2 O=C1CSC(=S)N1 1P001G6W [0,1,0,0,0,0|1,0,2]=4 763 B7R1.2 O=C1SCC(=O)N1 1P002M4B [0,1,0,0,0,0|1,1,1]=4 764 B7R1.2 O=C1SCC(=O)[N-]1 1P019OCG [0,1,0,0,0,0|1,1,1]=4 765 B7R1.2 OC1=CC(=O)CC1 1P00EEEL [0,1,0,0,0,0|1,1,1]=4 766 B7R1.2 OC1=CC(=O)NC1 1P00DCWO [0,1,0,0,0,0|1,1,1]=4 767 B7R1.2 OC1=CC(=O)OC1 1P0034IY [0,1,0,0,0,0|0,2,1]=4 768 B7R1.2 OC1C=CC(=O)C1 1P00EJSF [0,1,0,0,0,0|1,1,1]=4 769 B7R1.2 OC1C=CC(=O)O1 1P001CQE [0,1,0,0,0,0|0,2,1]=4 770 B7R1.2 O[C@H]1C=CC(=O)C1 1P00E9HE [0,1,0,0,0,0|1,1,1]=4 771 B7R1.2 Oc1c[nH]c(n1)C 1P0292BX [0,1,0,0,0,0|2,1,0]=4 772 B7R1.2 Oc1ccc(s1)Br 1P000WET [0,1,0,0,0,0|0,1,0]=2 773 B7R1.2 Oc1csc(n1)N 1P0068D4 [0,1,0,0,0,0|2,0,0]=3 774 B7R1.2 Oc1n[nH]c(c1)C 1P001L0T [0,1,0,0,0,0|2,1,0]=4 775 B7R1.2 Oc1n[nH]c(c1)N 1P01KKIY [0,1,0,0,0,0|2,1,0]=4 776 B7R1.2 Oc1nnc([nH]1)S 1P00D9EJ [0,1,0,0,0,0|3,0,0]=4 777 B7R1.2 Oc1nnc(s1)Br 1P028VMA [0,1,0,0,0,0|2,1,0]=4 778 B7R1.2 On1cc(cn1)I 1P004HFY [0,1,0,0,0,0|2,1,0]=4 779 B7R1.2 S=C1CSC(=O)N1 1P00JI7Q [0,1,0,0,0,0|1,1,1]=4 780 B7R1.2 S=c1[nH][nH]c(=S)s1 1P003GFE [0,1,0,0,0,0|2,0,1]=4 781 B7R1.2 S=c1[nH][nH]c(=S)s1 1P00HBEP [0,1,0,0,0,0|2,0,1]=4 782 B7R1.2 Sc1csc(c1)C 1P01Q2WP [0,1,0,0,0,0|1,0,0]=2 783 B7R1.4 Brc1[nH]cnc1Br 1P002MDA [0,1,0,0,0,0|3,0,0]=4 784 B7R1.4 Brc1c[nH]nc1C 1P0018FJ [0,1,0,0,0,0|3,0,0]=4 785 B7R1.4 Brc1c[nH]nc1Cl 1P01DZQB [0,1,0,0,0,0|3,0,0]=4 786 B7R1.4 Brc1c[nH]nc1F 1P00HTVS [0,1,0,0,0,0|3,0,0]=4 787 B7R1.4 Brc1c[nH]nc1I 1P01FUBW [0,1,0,0,0,0|3,0,0]=4 788 B7R1.4 Brc1c[nH]nc1N 1P001VFL [0,1,0,0,0,0|3,0,0]=4 789 B7R1.4 Brc1ccoc1C 1P004W05 [0,1,0,0,0,0|1,1,0]=3 790 B7R1.4 Brc1ccoc1I 1P01BK7D [0,1,0,0,0,0|1,1,0]=3 791 B7R1.4 Brc1ccsc1C 1P00307X [0,1,0,0,0,0|1,0,0]=2 792 B7R1.4 Brc1ccsc1Cl 1P003JGW [0,1,0,0,0,0|1,0,0]=2 793 B7R1.4 Brc1ccsc1I 1P00EIUZ [0,1,0,0,0,0|1,0,0]=2 794 B7R1.4 Brc1cnoc1C 1P00FBVU [0,1,0,0,0,0|2,1,0]=4 795 B7R1.4 Brc1cnoc1N 1P028S8E [0,1,0,0,0,0|2,1,0]=4 796 B7R1.4 Brc1cnsc1C 1P01A0EI [0,1,0,0,0,0|2,0,0]=3 797 B7R1.4 Brc1cnsc1N 1P028LCE [0,1,0,0,0,0|2,0,0]=3 798 B7R1.4 Brc1cnsc1N 1P028TE8 [0,1,0,0,0,0|2,0,0]=3 799 B7R1.4 Brc1co[nH]c1=N 1P00AMGY [0,1,0,0,0,0|3,0,0]=4 800 B7R1.4 Brc1cocc1Br 1P003IWC [0,1,0,0,0,0|3,0,0]=4 801 B7R1.4 Brc1conc1C 1P008Z60 [0,1,0,0,0,0|3,0,0]=4 802 B7R1.4 Brc1conc1O 1P00CZMB [0,1,0,0,0,0|2,1,0]=4 803 B7R1.4 Brc1cscc1Br 1P0033YX [0,1,0,0,0,0|3,0,0]=4 804 B7R1.4 Brc1cscc1C 1P00307Z [0,1,0,0,0,0|3,0,0]=4 805 B7R1.4 Brc1cscc1Cl 1P00I7MM [0,1,0,0,0,0|3,0,0]=4 806 B7R1.4 Brc1cscc1N 1P00I28H [0,1,0,0,0,0|3,0,0]=4 807 B7R1.4 Brc1csnc1C 1P006JMD [0,1,0,0,0,0|3,0,0]=4 808 B7R1.4 Brc1csnc1N 1P0290IR [0,1,0,0,0,0|3,0,0]=4 809 B7R1.4 Brc1csnc1O 1P028ND6 [0,1,0,0,0,0|2,1,0]=4 810 B7R1.4 Brc1n[nH]cc1Br 1P00ELYM [0,1,0,0,0,0|3,0,0]=4 811 B7R1.4 Brc1ncoc1C 1P023P88 [0,1,0,0,0,0|2,1,0]=4 812 B7R1.4 Brc1ncsc1C 1P0010UV [0,1,0,0,0,0|2,0,0]=3 813 B7R1.4 Brc1nnsc1N 1P028EOP [0,1,0,0,0,0|3,0,0]=4 814 B7R1.4 Brc1nscc1Br 1P0287Y6 [0,1,0,0,0,0|3,0,0]=4 815 B7R1.4 Brc1sccc1Br 1P0033E9 [0,1,0,0,0,0|1,0,0]=2 816 B7R1.4 Brc1scnc1Br 1P005MHD [0,1,0,0,0,0|2,0,0]=3 817 B7R1.4 Cc1[nH]ccc1C 1P0037Y2 [0,1,0,0,0,0|2,0,0]=3 818 B7R1.4 Cc1[nH]cnc1C 1P002MD8 [0,1,0,0,0,0|3,0,0]=4 819 B7R1.4 Cc1[nH]cnc1C 1P00I9ZF [0,1,0,0,0,0|3,0,0]=4 820 B7R1.4 Cc1[nH]cnc1C 1P00IEBV [0,1,0,0,0,0|3,0,0]=4 821 B7R1.4 Cc1c[nH]cc1C 1P0036WU [0,1,0,0,0,0|3,0,0]=4 822 B7R1.4 Cc1c[nH]nc1Br 1P003ATK [0,1,0,0,0,0|3,0,0]=4 823 B7R1.4 Cc1c[nH]nc1Cl 1P01AN5U [0,1,0,0,0,0|3,0,0]=4 824 B7R1.4 Cc1c[nH]nc1N 1P00JGGO [0,1,0,0,0,0|3,0,0]=4 825 B7R1.4 Cc1c[nH]nc1O 1P00J2YC [0,1,0,0,0,0|2,1,0]=4 826 B7R1.4 Cc1ccsc1Br 1P003H3U [0,1,0,0,0,0|1,0,0]=2 827 B7R1.4 Cc1ccsc1Cl 1P003HCL [0,1,0,0,0,0|1,0,0]=2 828 B7R1.4 Cc1ccsc1I 1P001VNK [0,1,0,0,0,0|1,0,0]=2 829 B7R1.4 Cc1ccsc1S 1P01BKP7 [0,1,0,0,0,0|0,0,0]=1 830 B7R1.4 Cc1cn[nH]c1I 1P00I53R [0,1,0,0,0,0|3,0,0]=4 831 B7R1.4 Cc1cn[nH]c1N 1P00ECEX [0,1,0,0,0,0|3,0,0]=4 832 B7R1.4 Cc1cnoc1N 1P00C7EK [0,1,0,0,0,0|2,1,0]=4 833 B7R1.4 Cc1cnsc1Br 1P00DK9L [0,1,0,0,0,0|2,0,0]=3 834 B7R1.4 Cc1cnsc1N 1P028G8J [0,1,0,0,0,0|2,0,0]=3 835 B7R1.4 Cc1cocc1C 1P002K4Z [0,1,0,0,0,0|3,0,0]=4 836 B7R1.4 Cc1conc1Br 1P027WND [0,1,0,0,0,0|3,0,0]=4 837 B7R1.4 Cc1conc1N 1P0020K6 [0,1,0,0,0,0|3,0,0]=4 838 B7R1.4 Cc1cscc1C 1P00E9CW [0,1,0,0,0,0|3,0,0]=4 839 B7R1.4 Cc1n[nH]cc1C 1P0028XH [0,1,0,0,0,0|3,0,0]=4 840 B7R1.4 Cc1n[nH]cc1C 1P007LJF [0,1,0,0,0,0|3,0,0]=4 841 B7R1.4 Cc1nc[nH]c1Br 1P001QH3 [0,1,0,0,0,0|3,0,0]=4 842 B7R1.4 Cc1nc[nH]c1I 1P001QH4 [0,1,0,0,0,0|3,0,0]=4 843 B7R1.4 Cc1nc[nH]c1N 1P003L6T [0,1,0,0,0,0|3,0,0]=4 844 B7R1.4 Cc1ncoc1Br 1P01B34H [0,1,0,0,0,0|2,1,0]=4 845 B7R1.4 Cc1ncsc1Br 1P0034OT [0,1,0,0,0,0|2,0,0]=3 846 B7R1.4 Cc1ncsc1N 1P00FWA1 [0,1,0,0,0,0|2,0,0]=3 847 B7R1.4 Cc1ncsc1N 1P01B26U [0,1,0,0,0,0|2,0,0]=3 848 B7R1.4 Cc1nnsc1Cl 1P00DDJZ [0,1,0,0,0,0|3,0,0]=4 849 B7R1.4 Cc1nnsc1N 1P01DX13 [0,1,0,0,0,0|3,0,0]=4 850 B7R1.4 Cc1occc1C 1P001LXH [0,1,0,0,0,0|1,1,0]=3 851 B7R1.4 Cc1ocnc1C 1P002J27 [0,1,0,0,0,0|2,1,0]=4 852 B7R1.4 Cc1s[c-]nc1C 1P00GSB6 [0,1,0,0,0,0|2,0,1]=4 853 B7R1.4 Cc1scnc1C 1P0034BY [0,1,0,0,0,0|2,0,0]=3 854 B7R1.4 Clc1[nH]cnc1Cl 1P001RQZ [0,1,0,0,0,0|3,0,0]=4 855 B7R1.4 Clc1c[nH]nc1C 1P001RBU [0,1,0,0,0,0|3,0,0]=4 856 B7R1.4 Clc1c[nH]nc1N 1P000T09 [0,1,0,0,0,0|3,0,0]=4 857 B7R1.4 Clc1c[nH]nc1N 1P00DGO0 [0,1,0,0,0,0|3,0,0]=4 858 B7R1.4 Clc1ccsc1Br 1P005RPO [0,1,0,0,0,0|1,0,0]=2 859 B7R1.4 Clc1ccsc1C 1P007WBT [0,1,0,0,0,0|1,0,0]=2 860 B7R1.4 Clc1ccsc1I 1P01BK8D [0,1,0,0,0,0|1,0,0]=2 861 B7R1.4 Clc1cn[nH]c1Br 1P01JVAR [0,1,0,0,0,0|3,0,0]=4 862 B7R1.4 Clc1cnoc1N 1P028P5S [0,1,0,0,0,0|2,1,0]=4 863 B7R1.4 Clc1cscc1N 1P00E9G7 [0,1,0,0,0,0|3,0,0]=4 864 B7R1.4 Clc1cscc1N 1P01KLJO [0,1,0,0,0,0|3,0,0]=4 865 B7R1.4 Clc1nc[nH]c1Br 1P0020H3 [0,1,0,0,0,0|3,0,0]=4 866 B7R1.4 Clc1nc[nH]c1C 1P004LHE [0,1,0,0,0,0|3,0,0]=4 867 B7R1.4 Clc1sccc1Cl 1P003FYK [0,1,0,0,0,0|1,0,0]=2 868 B7R1.4 Cn1[nH]ccc1=O 1P00CJF7 [0,1,0,0,0,0|2,1,0]=4 869 B7R1.4 Cn1cc[nH]c1=O 1P0037ZK [0,1,0,0,0,0|2,1,0]=4 870 B7R1.4 Cn1ccnc1Br 1P003H2T [0,1,0,0,0,0|3,0,0]=4 871 B7R1.4 Cn1ccnc1C 1P001ZQM [0,1,0,0,0,0|3,0,0]=4 872 B7R1.4 Cn1ccnc1Cl 1P00BD1D [0,1,0,0,0,0|3,0,0]=4 873 B7R1.4 Cn1ccnc1I 1P007CDV [0,1,0,0,0,0|3,0,0]=4 874 B7R1.4 Cn1ccnc1N 1P001KWR [0,1,0,0,0,0|3,0,0]=4 875 B7R1.4 Cn1ccnc1N 1P0039WI [0,1,0,0,0,0|3,0,0]=4 876 B7R1.4 Cn1ccnc1S 1P00IB3Q [0,1,0,0,0,0|2,0,0]=3 877 B7R1.4 Cn1ccoc1=O 1P0283EE [0,1,0,0,0,0|1,2,0]=4 878 B7R1.4 Cn1ccsc1=N 1P00DCG7 [0,1,0,0,0,0|2,0,0]=3 879 B7R1.4 Cn1cncc1Br 1P0001YC [0,1,0,0,0,0|3,0,0]=4 880 B7R1.4 Cn1cncc1C 1P01A0LS [0,1,0,0,0,0|3,0,0]=4 881 B7R1.4 Cn1cncc1Cl 1P003N2H [0,1,0,0,0,0|3,0,0]=4 882 B7R1.4 Cn1cncc1I 1P00FAWG [0,1,0,0,0,0|3,0,0]=4 883 B7R1.4 Cn1cncc1N 1P001REF [0,1,0,0,0,0|3,0,0]=4 884 B7R1.4 Cn1cncc1N 1P00FFRY [0,1,0,0,0,0|3,0,0]=4 885 B7R1.4 Cn1cnnc1S 1P003M5Y [0,1,0,0,0,0|3,0,0]=4 886 B7R1.4 Cn1nccc1Br 1P0038FI [0,1,0,0,0,0|3,0,0]=4 887 B7R1.4 Cn1nccc1C 1P005MKD [0,1,0,0,0,0|3,0,0]=4 888 B7R1.4 Cn1nccc1Cl 1P00CL8T [0,1,0,0,0,0|3,0,0]=4 889 B7R1.4 Cn1nccc1I 1P00C8NB [0,1,0,0,0,0|3,0,0]=4 890 B7R1.4 Cn1nccc1N 1P000ISJ [0,1,0,0,0,0|3,0,0]=4 891 B7R1.4 Cn1nccc1O 1P003AIK [0,1,0,0,0,0|2,1,0]=4 892 B7R1.4 Cn1nccc1O 1P003EXW [0,1,0,0,0,0|2,1,0]=4 893 B7R1.4 Cn1nncc1S 1P028MJE [0,1,0,0,0,0|3,0,0]=4 894 B7R1.4 Cn1sccc1=O 1P002SGM [0,1,0,0,0,0|2,0,0]=3 895 B7R1.4 Cn1sccc1=O 1P01FT0U [0,1,0,0,0,0|2,0,0]=3 896 B7R1.4 Fc1c[nH]cc1F 1P000QNK [0,1,0,0,0,0|3,0,0]=4 897 B7R1.4 Fc1c[nH]nc1Br 1P01JUPK [0,1,0,0,0,0|3,0,0]=4 898 B7R1.4 Fc1ccsc1Cl 1P028ZDK [0,1,0,0,0,0|1,0,0]=2 899 B7R1.4 Fc1ccsc1I 1P027VPP [0,1,0,0,0,0|1,0,0]=2 900 B7R1.4 Fc1cn[nH]c1N 1P01BESP [0,1,0,0,0,0|3,0,0]=4 901 B7R1.4 Fc1nc[nH]c1Br 1P00I1OI [0,1,0,0,0,0|3,0,0]=4 902 B7R1.4 Ic1[nH]cnc1I 1P001QH2 [0,1,0,0,0,0|3,0,0]=4 903 B7R1.4 Ic1c[nH]nc1Br 1P00CEPL [0,1,0,0,0,0|3,0,0]=4 904 B7R1.4 Ic1c[nH]nc1C 1P001QDK [0,1,0,0,0,0|3,0,0]=4 905 B7R1.4 Ic1c[nH]nc1Cl 1P01PW3U [0,1,0,0,0,0|3,0,0]=4 906 B7R1.4 Ic1c[nH]nc1F 1P020JQK [0,1,0,0,0,0|3,0,0]=4 907 B7R1.4 Ic1ccsc1Br 1P00BGJV [0,1,0,0,0,0|1,0,0]=2 908 B7R1.4 Ic1cn[nH]c1N 1P00GAHS [0,1,0,0,0,0|3,0,0]=4 909 B7R1.4 Ic1cnoc1C 1P005HNQ [0,1,0,0,0,0|2,1,0]=4 910 B7R1.4 Ic1cnoc1N 1P01B5SN [0,1,0,0,0,0|2,1,0]=4 911 B7R1.4 Ic1cocc1C 1P01ANWT [0,1,0,0,0,0|3,0,0]=4 912 B7R1.4 Ic1cscc1Br 1P005B28 [0,1,0,0,0,0|3,0,0]=4 913 B7R1.4 Ic1csnc1Br 1P01ELTX [0,1,0,0,0,0|3,0,0]=4 914 B7R1.4 Ic1csnc1N 1P01FJ2X [0,1,0,0,0,0|3,0,0]=4 915 B7R1.4 Ic1csnc1N 1P01FJ2Y [0,1,0,0,0,0|3,0,0]=4 916 B7R1.4 Ic1ncoc1C 1P028TLC [0,1,0,0,0,0|2,1,0]=4 917 B7R1.4 Ic1sccc1I 1P002GL1 [0,1,0,0,0,0|1,0,0]=2 918 B7R1.4 Nc1c[nH]nc1Br 1P009X00 [0,1,0,0,0,0|3,0,0]=4 919 B7R1.4 Nc1c[nH]nc1C 1P000JZM [0,1,0,0,0,0|3,0,0]=4 920 B7R1.4 Nc1c[nH]nc1C 1P007B6V [0,1,0,0,0,0|3,0,0]=4 921 B7R1.4 Nc1c[nH]nc1Cl 1P008UTO [0,1,0,0,0,0|3,0,0]=4 922 B7R1.4 Nc1c[nH]nc1Cl 1P00EL0C [0,1,0,0,0,0|3,0,0]=4 923 B7R1.4 Nc1ccsc1Br 1P00IKUH [0,1,0,0,0,0|1,0,0]=2 924 B7R1.4 Nc1ccsc1C 1P01BRMN [0,1,0,0,0,0|1,0,0]=2 925 B7R1.4 Nc1ccsc1Cl 1P01AGQV [0,1,0,0,0,0|1,0,0]=2 926 B7R1.4 Nc1cn[nH]c1C 1P00G5R0 [0,1,0,0,0,0|3,0,0]=4 927 B7R1.4 Nc1cnoc1C 1P0002LG [0,1,0,0,0,0|2,1,0]=4 928 B7R1.4 Nc1cnoc1C 1P004I86 [0,1,0,0,0,0|2,1,0]=4 929 B7R1.4 Nc1cnsc1Br 1P01B2VU [0,1,0,0,0,0|2,0,0]=3 930 B7R1.4 Nc1cnsc1Br 1P028ANF [0,1,0,0,0,0|2,0,0]=3 931 B7R1.4 Nc1cnsc1C 1P0284VU [0,1,0,0,0,0|2,0,0]=3 932 B7R1.4 Nc1conc1C 1P00CJB5 [0,1,0,0,0,0|3,0,0]=4 933 B7R1.4 Nc1conc1C 1P01C5S8 [0,1,0,0,0,0|3,0,0]=4 934 B7R1.4 Nc1cscc1C 1P00CCYZ [0,1,0,0,0,0|3,0,0]=4 935 B7R1.4 Nc1cscc1N 1P003V9A [0,1,0,0,0,0|3,0,0]=4 936 B7R1.4 Nc1cscc1N 1P008MOQ [0,1,0,0,0,0|3,0,0]=4 937 B7R1.4 Nc1csnc1Br 1P028SVW [0,1,0,0,0,0|3,0,0]=4 938 B7R1.4 Nc1csnc1C 1P01EIGO [0,1,0,0,0,0|3,0,0]=4 939 B7R1.4 Nc1n[nH]cc1N 1P001VFK [0,1,0,0,0,0|3,0,0]=4 940 B7R1.4 Nc1n[nH]cc1N 1P00HZ8F [0,1,0,0,0,0|3,0,0]=4 941 B7R1.4 Nc1ncsc1C 1P01BVRP [0,1,0,0,0,0|2,0,0]=3 942 B7R1.4 Nc1ncsc1C 1P01BVRQ [0,1,0,0,0,0|2,0,0]=3 943 B7R1.4 Nn1cccc1C 1P028FJN [0,1,0,0,0,0|2,0,0]=3 944 B7R1.4 Nn1cnnc1S 1P028LQV [0,1,0,0,0,0|3,0,0]=4 945 B7R1.4 O=C1C=CCN1C 1P001BMC [0,1,0,0,0,0|1,1,1]=4 946 B7R1.4 O=C1CCC=C1Br 1P008UEE [0,1,0,0,0,0|1,1,1]=4 947 B7R1.4 O=C1CCC=C1C 1P0033UM [0,1,0,0,0,0|1,1,1]=4 948 B7R1.4 O=C1CCC=C1I 1P00CN3A [0,1,0,0,0,0|1,1,1]=4 949 B7R1.4 O=C1CCC=C1O 1P0036LG [0,1,0,0,0,0|1,1,1]=4 950 B7R1.4 O=C1OC=CC1Br 1P0056VE [0,1,0,0,0,0|0,2,1]=4 951 B7R1.4 O=C1OCC=C1C 1P003K5L [0,1,0,0,0,0|0,2,1]=4 952 B7R1.4 O=C1OCC=C1Cl 1P0032D1 [0,1,0,0,0,0|0,2,1]=4 953 B7R1.4 O=C1OCC=C1N 1P00I73J [0,1,0,0,0,0|0,2,1]=4 954 B7R1.4 O=c1[nH][nH]cc1N 1P01AMNR [0,1,0,0,0,0|2,1,0]=4 955 B7R1.4 Oc1cnoc1C 1P027UVL [0,1,0,0,0,0|2,1,0]=4 956 B7R1.4 Sc1ccoc1C 1P002W7D [0,1,0,0,0,0|1,1,0]=3 957 B5R0.1 CC(=O)CC=C 1P001AA7 [0,0,1,0,0,0|1,1,1]=4 958 B5R0.1 CC(=O)NC=C 1P003TV1 [0,0,1,0,0,0|1,1,1]=4 959 B5R0.1 CC(=O)OC=C 1P003O49 [0,0,1,0,0,0|0,2,1]=4 960 B5R0.1 CC(=O)\C=C\Cl 1P0072VO [0,0,1,0,0,0|2,1,0]=4 961 B5R0.1 CC=CC(=O)C 1P0039SF [0,0,1,0,0,0|1,1,1]=4 962 B5R0.1 CC=CC(=O)N 1P002NE7 [0,0,1,0,0,0|1,1,1]=4 963 B5R0.1 C\C=C\C(=O)C 1P0032ET [0,0,1,0,0,0|1,1,1]=4 964 B5R0.1 C\C=C\C(=O)Cl 1P00359Z [0,0,1,0,0,0|1,1,1]=4 965 B5R0.1 C\C=C\C(=O)N 1P00EF6M [0,0,1,0,0,0|1,1,1]=4 966 B5R0.1 C\C=C\C(=O)O 1P00353L [0,0,1,0,0,0|0,2,1]=4 967 B5R0.1 ClC(=O)CC=C 1P001EYT [0,0,1,0,0,0|1,1,1]=4 968 B5R0.1 NC(=O)NC=C 1P0080RL [0,0,1,0,0,0|2,1,0]=4 969 B5R0.1 NC(=O)\C=C/Br 1P028CL9 [0,0,1,0,0,0|2,1,0]=4 970 B5R0.1 NC(=O)\C=C\Cl 1P01EWSO [0,0,1,0,0,0|2,1,0]=4 971 B5R0.1 O=CC=C(C)C 1P00347P [0,0,1,0,0,0|3,0,0]=4 972 B5R0.1 O=CC=C(Cl)Cl 1P002TV9 [0,0,1,0,0,0|3,0,0]=4 973 B5R0.1 OC(=O)C=C=C 1P028O5X [0,0,1,0,0,0|0,2,1]=4 974 B5R0.1 OC(=O)CC=C 1P00369B [0,0,1,0,0,0|0,2,1]=4 975 B5R0.1 OC(=O)\C=C/Br 1P001VXS [0,0,1,0,0,0|1,2,0]=4 976 B5R0.1 OC(=O)\C=C/Cl 1P001VXR [0,0,1,0,0,0|1,2,0]=4 977 B5R0.1 OC(=O)\C=C/I 1P00E99X [0,0,1,0,0,0|1,2,0]=4 978 B5R0.1 OC(=O)\C=C\Br 1P003CH9 [0,0,1,0,0,0|1,2,0]=4 979 B5R0.1 OC(=O)\C=C\I 1P003CHA [0,0,1,0,0,0|1,2,0]=4 980 B5R0.1 [O-]C=CC(=O)C 1P028582 [0,0,1,0,0,0|2,1,0]=4 981 B5R0.2 C=CCCC=C 1P003E7G [0,0,1,0,0,0|2,0,1]=4 982 B5R0.2 C=CCCC=C 1P003P92 [0,0,1,0,0,0|2,0,1]=4 983 B5R0.2 C=CCCC=O 1P002KZ4 [0,0,1,0,0,0|1,1,1]=4 984 B5R0.2 C=CCNC=O 1P001TNE [0,0,1,0,0,0|1,1,1]=4 985 B5R0.2 CC\C=C\C=O 1P001Q0F [0,0,1,0,0,0|1,1,1]=4 986 B5R0.2 CSSCC=C 1P003SFU [0,0,1,0,0,0|2,0,1]=4 987 B5R0.2 ClCSCC=C 1P028M92 [0,0,1,0,0,0|1,0,2]=4 988 B5R0.2 NC\C=C\C=C 1P01FIJ9 [0,0,1,0,0,0|2,0,1]=4 989 B5R0.3 BrCC(=C)C=C 1P00BOBP [0,0,1,0,0,0|3,0,0]=4 990 B5R0.3 C=CC(C=C)O 1P0060YF [0,0,1,0,0,0|1,1,1]=4 991 B5R0.3 CCC(=O)C=C 1P001TZW [0,0,1,0,0,0|1,1,1]=4 992 B5R0.3 CNC(=O)C=C 1P00HF69 [0,0,1,0,0,0|1,1,1]=4 993 B5R0.3 COC(=O)C=C 1P0038Z5 [0,0,1,0,0,0|0,2,1]=4 994 B5R0.3 ClCC(=O)C=C 1P006UR2 [0,0,1,0,0,0|2,1,0]=4 995 B5R0.3 NNC(=O)C=C 1P01EMC9 [0,0,1,0,0,0|2,1,0]=4 996 B5R0.3 ONC(=O)C=C 1P001VY0 [0,0,1,0,0,0|2,1,0]=4 997 B5R0.3 [Na]OC(=O)C=C 1P003A2G [0,0,1,0,0,0|1,2,0]=4 998 B5R1.2 BrC1=CCC1 1P028I74 [0,0,0,0,1,0|1,0,2]=4 999 B7R1.3 Br[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P008T6V [0,0,0,0,0,1|2,0,0]=3 1000 B7R1.3 Brc1cc[c]nc1 1P003MWR [0,0,0,0,0,1|2,0,1]=4 1001 B7R1.3 Brc1ccccn1 1P0033NM [0,0,0,0,0,1|2,0,0]=3 1002 B7R1.3 Brc1cccnc1 1P00343S [0,0,0,0,0,1|2,0,0]=3 1003 B7R1.3 Brc1cccnn1 1P00343R [0,0,0,0,0,1|2,0,0]=3 1004 B7R1.3 Brc1ccncc1 1P0034FC [0,0,0,0,0,1|2,0,0]=3 1005 B7R1.3 Brc1ccncc1 1P0038SJ [0,0,0,0,0,1|2,0,0]=3 1006 B7R1.3 Brc1ccncc1 1P00FDJY [0,0,0,0,0,1|2,0,0]=3 1007 B7R1.3 Brc1ccncn1 1P0039MI [0,0,0,0,0,1|2,0,0]=3 1008 B7R1.3 Brc1ccnnc1 1P000WQH [0,0,0,0,0,1|3,0,0]=4 1009 B7R1.3 Brc1ccnnc1 1P00171L [0,0,0,0,0,1|3,0,0]=4 1010 B7R1.3 Brc1cnccn1 1P0033NL [0,0,0,0,0,1|2,0,0]=3 1011 B7R1.3 Brc1cnccn1 1P01ANMT [0,0,0,0,0,1|2,0,0]=3 1012 B7R1.3 Brc1cncnc1 1P0034P7 [0,0,0,0,0,1|3,0,0]=4 1013 B7R1.3 Brc1ncccn1 1P00I90J [0,0,0,0,0,1|2,0,0]=3 1014 B7R1.3 CC1=C=C[N]C=C1 1P008USL [0,0,0,0,0,1|2,0,0]=3 1015 B7R1.3 C[n+]1ccccc1 1P003EZK [0,0,0,0,0,1|3,0,0]=4 1016 B7R1.3 C[n+]1ccccc1 1P00GUZE [0,0,0,0,0,1|3,0,0]=4 1017 B7R1.3 Cc1ccccn1 1P0023GU [0,0,0,0,0,1|2,0,0]=3 1018 B7R1.3 Cc1ccccn1 1P0037Z6 [0,0,0,0,0,1|2,0,0]=3 1019 B7R1.3 Cc1cccnc1 1P003486 [0,0,0,0,0,1|2,0,0]=3 1020 B7R1.3 Cc1cccnn1 1P001UBK [0,0,0,0,0,1|2,0,0]=3 1021 B7R1.3 Cc1ccncn1 1P003M9B [0,0,0,0,0,1|2,0,0]=3 1022 B7R1.3 Cc1ccnnc1 1P00HCT0 [0,0,0,0,0,1|3,0,0]=4 1023 B7R1.3 Cc1cnccn1 1P003I6Y [0,0,0,0,0,1|2,0,0]=3 1024 B7R1.3 Cc1cncnc1 1P0029HT [0,0,0,0,0,1|3,0,0]=4 1025 B7R1.3 Cc1ncccn1 1P003I70 [0,0,0,0,0,1|2,0,0]=3 1026 B7R1.3 Cc1nccnn1 1P00C4US [0,0,0,0,0,1|3,0,0]=4 1027 B7R1.3 ClC1=C[N]C=C=C1 1P00BI1M [0,0,0,0,0,1|2,0,1]=4 1028 B7R1.3 Clc1c[c-]ccn1 1P008UMS [0,0,0,0,0,1|2,0,0]=3 1029 B7R1.3 Clc1c[c-]ncc1 1P008S4G [0,0,0,0,0,1|2,0,1]=4 1030 B7R1.3 Clc1ccccc1 1P003522 [0,0,0,0,0,1|2,0,0]=3 1031 B7R1.3 Clc1cccnc1 1P003JSA [0,0,0,0,0,1|2,0,0]=3 1032 B7R1.3 Clc1cccnn1 1P00345B [0,0,0,0,0,1|2,0,0]=3 1033 B7R1.3 Clc1cccnn1 1P003ARR [0,0,0,0,0,1|2,0,0]=3 1034 B7R1.3 Clc1ccncc1 1P0034H0 [0,0,0,0,0,1|2,0,0]=3 1035 B7R1.3 Clc1ccncc1 1P003ACI [0,0,0,0,0,1|2,0,0]=3 1036 B7R1.3 Clc1ccncn1 1P00276O [0,0,0,0,0,1|2,0,0]=3 1037 B7R1.3 Clc1ccncn1 1P0029FC [0,0,0,0,0,1|2,0,0]=3 1038 B7R1.3 Clc1ccncn1 1P0038PQ [0,0,0,0,0,1|2,0,0]=3 1039 B7R1.3 Clc1ccnnc1 1P000J2M [0,0,0,0,0,1|3,0,0]=4 1040 B7R1.3 Clc1ccnnc1 1P007DV7 [0,0,0,0,0,1|3,0,0]=4 1041 B7R1.3 Clc1cnccn1 1P001L0E [0,0,0,0,0,1|2,0,0]=3 1042 B7R1.3 Clc1cncnc1 1P007DV6 [0,0,0,0,0,1|3,0,0]=4 1043 B7R1.3 Clc1n[c]ccn1 1P00DK24 [0,0,0,0,0,1|2,0,1]=4 1044 B7R1.3 Clc1ncccn1 1P0033QC [0,0,0,0,0,1|2,0,0]=3 1045 B7R1.3 Fc1ccccc1 1P0035E9 [0,0,0,0,0,1|2,0,0]=3 1046 B7R1.3 Fc1ccccn1 1P0033SI [0,0,0,0,0,1|2,0,0]=3 1047 B7R1.3 Fc1cccnc1 1P003JYE [0,0,0,0,0,1|2,0,0]=3 1048 B7R1.3 Fc1ccncc1 1P0034IB [0,0,0,0,0,1|2,0,0]=3 1049 B7R1.3 Fc1cnccn1 1P00D9L3 [0,0,0,0,0,1|2,0,0]=3 1050 B7R1.3 Fc1cncnc1 1P0060KF [0,0,0,0,0,1|3,0,0]=4 1051 B7R1.3 Fc1ncccn1 1P00I6G6 [0,0,0,0,0,1|2,0,0]=3 1052 B7R1.3 Ic1ccccc1 1P0035HS [0,0,0,0,0,1|2,0,0]=3 1053 B7R1.3 Ic1ccccn1 1P0036MH [0,0,0,0,0,1|2,0,0]=3 1054 B7R1.3 Ic1cccnc1 1P003476 [0,0,0,0,0,1|2,0,0]=3 1055 B7R1.3 Ic1cccnn1 1P01BGGD [0,0,0,0,0,1|2,0,0]=3 1056 B7R1.3 Ic1ccncc1 1P001QR9 [0,0,0,0,0,1|2,0,0]=3 1057 B7R1.3 Ic1ccncn1 1P00CLGQ [0,0,0,0,0,1|2,0,0]=3 1058 B7R1.3 Ic1ccnnc1 1P019GH6 [0,0,0,0,0,1|3,0,0]=4 1059 B7R1.3 Ic1cnccn1 1P0035HV [0,0,0,0,0,1|2,0,0]=3 1060 B7R1.3 Ic1cncnc1 1P0037VD [0,0,0,0,0,1|3,0,0]=4 1061 B7R1.3 Ic1ncccn1 1P00C7DI [0,0,0,0,0,1|2,0,0]=3 1062 B7R1.3 N[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P0003HD [0,0,0,0,0,1|2,0,0]=3 1063 B7R1.3 N[n+]1ccccc1 1P003EEU [0,0,0,0,0,1|3,0,0]=4 1064 B7R1.3 Nc1ccccc1 1P003OD2 [0,0,0,0,0,1|2,0,0]=3 1065 B7R1.3 Nc1ccccc1 1P003OD4 [0,0,0,0,0,1|2,0,0]=3 1066 B7R1.3 Nc1ccccc1 1P003OD5 [0,0,0,0,0,1|2,0,0]=3 1067 B7R1.3 Nc1ccccc1 1P00DANN [0,0,0,0,0,1|2,0,0]=3 1068 B7R1.3 Nc1ccccn1 1P00CMJB [0,0,0,0,0,1|2,0,0]=3 1069 B7R1.3 Nc1cccnc1 1P003JEQ [0,0,0,0,0,1|2,0,0]=3 1070 B7R1.3 Nc1cccnn1 1P003426 [0,0,0,0,0,1|2,0,0]=3 1071 B7R1.3 Nc1cccnn1 1P0089JT [0,0,0,0,0,1|2,0,0]=3 1072 B7R1.3 Nc1ccncc1 1P0039PA [0,0,0,0,0,1|2,0,0]=3 1073 B7R1.3 Nc1ccncn1 1P00IAZ2 [0,0,0,0,0,1|2,0,0]=3 1074 B7R1.3 Nc1ccnnc1 1P001CGL [0,0,0,0,0,1|3,0,0]=4 1075 B7R1.3 Nc1ccnnc1 1P002JIJ [0,0,0,0,0,1|3,0,0]=4 1076 B7R1.3 Nc1cnccn1 1P003H0L [0,0,0,0,0,1|2,0,0]=3 1077 B7R1.3 Nc1cncnc1 1P0034NO [0,0,0,0,0,1|3,0,0]=4 1078 B7R1.3 Nc1cnncn1 1P0050GR [0,0,0,0,0,1|3,0,0]=4 1079 B7R1.3 Nc1ncccn1 1P0033L4 [0,0,0,0,0,1|2,0,0]=3 1080 B7R1.3 Nc1nccnn1 1P003JAB [0,0,0,0,0,1|3,0,0]=4 1081 B7R1.3 Nc1ncncn1 1P00BYVN [0,0,0,0,0,1|3,0,0]=4 1082 B7R1.3 O=C1CCC=CN1 1P01BJJF [0,0,0,0,0,1|1,1,1]=4 1083 B7R1.3 O=C1CCCC=C1 1P0033QS [0,0,0,0,0,1|1,1,1]=4 1084 B7R1.3 O=C1CCNC=C1 1P002PGW [0,0,0,0,0,1|1,1,1]=4 1085 B7R1.3 O=C1CCOC=C1 1P004TYE [0,0,0,0,0,1|1,1,1]=4 1086 B7R1.3 O=C1CNCC=C1 1P028FY8 [0,0,0,0,0,1|1,1,1]=4 1087 B7R1.3 O=C1COCC=C1 1P00IKIB [0,0,0,0,0,1|0,2,1]=4 1088 B7R1.3 O=C1NCCC=C1 1P00EDGZ [0,0,0,0,0,1|1,1,1]=4 1089 B7R1.3 O=C1OCCC=C1 1P003MQL [0,0,0,0,0,1|0,2,1]=4 1090 B7R1.3 O=c1cc[nH]cc1 1P007C4C [0,0,0,0,0,1|1,1,0]=3 1091 B7R1.3 O=c1cc[nH]nc1 1P001ZYO [0,0,0,0,0,1|2,1,0]=4 1092 B7R1.3 O=c1cccc[nH]1 1P00HWQR [0,0,0,0,0,1|1,1,0]=3 1093 B7R1.3 O=c1cccco1 1P003O98 [0,0,0,0,0,1|0,2,0]=3 1094 B7R1.3 O=c1ccnc[nH]1 1P003967 [0,0,0,0,0,1|1,1,0]=3 1095 B7R1.3 O=c1ccocc1 1P003LXT [0,0,0,0,0,1|1,1,0]=3 1096 B7R1.3 O=c1cncc[nH]1 1P003HWP [0,0,0,0,0,1|1,1,0]=3 1097 B7R1.3 O[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P00GVQD [0,0,0,0,0,1|1,1,0]=3 1098 B7R1.3 Oc1ccccc1 1P0000NN [0,0,0,0,0,1|1,1,0]=3 1099 B7R1.3 Oc1ccccn1 1P003UF8 [0,0,0,0,0,1|1,1,0]=3 1100 B7R1.3 Oc1ccccn1 1P003UIP [0,0,0,0,0,1|1,1,0]=3 1101 B7R1.3 Oc1cccnc1 1P003K1M [0,0,0,0,0,1|1,1,0]=3 1102 B7R1.3 Oc1cccnn1 1P00DEIH [0,0,0,0,0,1|1,1,0]=3 1103 B7R1.3 Oc1ccncc1 1P0034J8 [0,0,0,0,0,1|1,1,0]=3 1104 B7R1.3 Oc1ccncn1 1P003M0J [0,0,0,0,0,1|1,1,0]=3 1105 B7R1.3 Oc1ccnnc1 1P002JFR [0,0,0,0,0,1|2,1,0]=4 1106 B7R1.3 Oc1cnccn1 1P000N6P [0,0,0,0,0,1|1,1,0]=3 1107 B7R1.3 Oc1cncnc1 1P002TRI [0,0,0,0,0,1|2,1,0]=4 1108 B7R1.3 Oc1ncccn1 1P003HWR [0,0,0,0,0,1|1,1,0]=3 1109 B7R1.3 Oc1ncccn1 1P00DGHM [0,0,0,0,0,1|1,1,0]=3 1110 B7R1.3 Pc1ccccc1 1P003U5W [0,0,0,0,0,1|2,0,0]=3 1111 B7R1.3 S=c1cccc[nH]1 1P002TDH [0,0,0,0,0,1|1,0,1]=3 1112 B7R1.3 S=c1cccn[nH]1 1P002W4Y [0,0,0,0,0,1|1,0,1]=3 1113 B7R1.3 S=c1ccnc[nH]1 1P001KWU [0,0,0,0,0,1|1,0,1]=3 1114 B7R1.3 S=c1nccc[nH]1 1P001KWV [0,0,0,0,0,1|1,0,1]=3 1115 B7R1.3 Sc1cccnc1 1P001SU2 [0,0,0,0,0,1|1,0,0]=2 1116 B7R1.3 Sc1ccncc1 1P003MH8 [0,0,0,0,0,1|1,0,0]=2 1117 B7R1.3 Sc1cnccn1 1P003HZ3 [0,0,0,0,0,1|1,0,0]=2 1118 B7R1.3 Sc1ncccn1 1P000W8T [0,0,0,0,0,1|1,0,0]=2 1119 B7R1.3 [15NH2]c1ccccc1 1P00FDEF [0,0,0,0,0,1|2,0,0]=3 1120 B7R1.3 [BH3-][n+]1ccccc1 1P003OZK [0,0,0,0,0,1|3,0,0]=4 1121 B7R1.3 [NH3+]c1ccccc1 1P00DL00 [0,0,0,0,0,1|2,0,0]=3 1122 B7R1.3 [O-][n+]1ccccc1 1P00360I [0,0,0,0,0,1|2,1,0]=4 1123 B7R1.3 [O-][n+]1ccccn1 1P001DSO [0,0,0,0,0,1|2,1,0]=4 1124 B7R1.3 [O-][n+]1ccncc1 1P006XB5 [0,0,0,0,0,1|2,1,0]=4 1125 B7R1.3 [O]c1cncnc1 1P002VWK [0,0,0,0,0,1|2,1,0]=4 1126 B7R1.3 [S-]c1ccccc1 1P00BLKE [0,0,0,0,0,1|1,0,1]=3 1127 B7R1.3 [SeH]c1ccccc1 1P003U6T [0,0,0,0,0,1|1,1,0]=3 1128 B7R1.3 [SiH3]c1ccccc1 1P0039OY [0,0,0,0,0,1|2,0,0]=3 1129 B4R0.1 BrC(=C)C=O 1P001LZP [1,0,1,0,0,0|2,0,0]=4 1130 B4R0.1 C=CC(=C)C 1P003RL1 [1,0,1,0,0,0|1,0,0]=3 1131 B4R0.1 C=CC(=O)N 1P00E9WL [1,0,1,0,0,0|1,1,0]=4 1132 B4R0.1 C=CC(=O)O 1P01FLHQ [1,0,1,0,0,0|0,2,0]=4 1133 B4R0.1 C=CC(=O)O 1P01FLJA [1,0,1,0,0,0|0,2,0]=4 1134 B4R0.1 C=CC(=O)[O-] 1P001EHX [1,0,1,0,0,0|0,2,0]=4 1135 B4R0.1 C=CC(=O)[O-] 1P0027SQ [1,0,1,0,0,0|0,2,0]=4 1136 B4R0.1 C=CC(=O)[O-] 1P002DEV [1,0,1,0,0,0|0,2,0]=4 1137 B4R0.1 C=CC(=O)[O-] 1P003RV3 [1,0,1,0,0,0|0,2,0]=4 1138 B4R0.1 CC(=C)C=O 1P0035LF [1,0,1,0,0,0|2,0,0]=4 1139 B4R0.1 NC(=O)C=C 1P0034W9 [1,0,1,0,0,0|1,1,0]=4 1140 B4R0.1 N[13C](=O)[13CH]=[13CH2] 1P00C2PS [1,0,1,0,0,0|1,1,0]=4 1141 B4R0.1 OC(=O)C=C 1P0036OH [1,0,1,0,0,0|0,2,0]=4 1142 B4R0.1 OC(=O)C=C 1P01O7IB [1,0,1,0,0,0|0,2,0]=4 1143 B4R0.1 [O-]C(=O)C=C 1P0006FB [1,0,1,0,0,0|0,2,0]=4 1144 B4R0.1 [O-]C(=O)C=C 1P0011HV [1,0,1,0,0,0|0,2,0]=4 1145 B4R0.1 [O-]C(=O)C=C 1P00ICZK [1,0,1,0,0,0|0,2,0]=4 1146 B4R0.2 C=CNC=O 1P000ZZS [1,0,1,0,0,0|1,1,0]=4 1147 B4R0.2 CSC=CC 1P00056G [1,0,1,0,0,0|0,0,2]=4 1148 B4R0.2 CSCC=C 1P00056H [1,0,1,0,0,0|0,0,2]=4 1149 B4R0.2 C\C=C/C=C 1P001PWM [1,0,1,0,0,0|1,0,0]=3 1150 B4R0.2 N\C=C\C=O 1P002WE0 [1,0,1,0,0,0|1,1,0]=4 1151 B4R0.2 SC\C=C/Br 1P027ZSR [1,0,1,0,0,0|1,0,1]=4 1152 B6R0.3 OC(=O)C(=O)C=C 1P00F11D [0,1,1,0,0,0|0,2,0]=4 1153 B6R0.4 C=CC=CC(=O)O 1P00IBIF [0,1,1,0,0,0|0,2,0]=4 1154 B6R0.4 C=C\C=C/C(=O)O 1P01DEBA [0,1,1,0,0,0|0,2,0]=4 1155 B6R0.4 C=C\C=C\C(=O)O 1P0070UZ [0,1,1,0,0,0|0,2,0]=4 1156 B6R0.6 C=CCSCC=C 1P003O6N [0,1,1,0,0,0|1,0,1]=4 1157 B6R0.6 CC=CC=CC#N 1P001NWM [0,1,1,0,0,0|2,0,0]=4 1158 B6R0.6 CC=CC=CCO 1P003VBC [0,1,1,0,0,0|1,1,0]=4 1159 B6R0.6 C\C=C\C=C\CN 1P01DWZV [0,1,1,0,0,0|2,0,0]=4 1160 B6R0.6 C\C=C\C=C\CO 1P003CHO [0,1,1,0,0,0|1,1,0]=4 1161 B6R0.6 [O-]C\C=C\C=C\C 1P006TR9 [0,1,1,0,0,0|1,1,0]=4 1162 B6R1.4 O=C1CC=C1Br 1P028AHP [0,1,0,0,1,0|0,1,1]=4 1163 B8R1.2 BrCc1ccccc1 1P0000N4 [0,1,0,0,0,1|2,0,0]=4 1164 B8R1.2 BrCc1ccccn1 1P00BC33 [0,1,0,0,0,1|2,0,0]=4 1165 B8R1.2 BrCc1cccnc1 1P0033XF [0,1,0,0,0,1|2,0,0]=4 1166 B8R1.2 BrCc1cccnn1 1P001L60 [0,1,0,0,0,1|2,0,0]=4 1167 B8R1.2 BrCc1ccncc1 1P00349W [0,1,0,0,0,1|2,0,0]=4 1168 B8R1.2 BrCc1ccncn1 1P0013LN [0,1,0,0,0,1|2,0,0]=4 1169 B8R1.2 BrCc1cnccn1 1P001ID7 [0,1,0,0,0,1|2,0,0]=4 1170 B8R1.2 BrCc1ncccn1 1P00IA52 [0,1,0,0,0,1|2,0,0]=4 1171 B8R1.2 BrCc1ncccn1 1P023O77 [0,1,0,0,0,1|2,0,0]=4 1172 B8R1.2 Br[Mg]c1ccccc1 1P0000NW [0,1,0,0,0,1|2,0,0]=4 1173 B8R1.2 Br[Se]c1ccccc1 1P00399Q [0,1,0,0,0,1|1,1,0]=4 1174 B8R1.2 C#Cc1ccccc1 1P0037R1 [0,1,0,0,0,1|2,0,0]=4 1175 B8R1.2 C#Cc1ccccn1 1P003HOZ [0,1,0,0,0,1|2,0,0]=4 1176 B8R1.2 C#Cc1cccnc1 1P002QXU [0,1,0,0,0,1|2,0,0]=4 1177 B8R1.2 C#Cc1cccnn1 1P00060E [0,1,0,0,0,1|2,0,0]=4 1178 B8R1.2 C#Cc1ccncc1 1P002QXV [0,1,0,0,0,1|2,0,0]=4 1179 B8R1.2 C#Cc1ccncc1 1P0034HI [0,1,0,0,0,1|2,0,0]=4 1180 B8R1.2 C#Cc1ccncn1 1P000PRI [0,1,0,0,0,1|2,0,0]=4 1181 B8R1.2 C#Cc1cnccn1 1P00ADUU [0,1,0,0,0,1|2,0,0]=4 1182 B8R1.2 C#Cc1ncccn1 1P0037ZB [0,1,0,0,0,1|2,0,0]=4 1183 B8R1.2 C=Cc1ccccc1 1P0000N1 [0,1,0,0,0,1|2,0,0]=4 1184 B8R1.2 C=Cc1ccccc1 1P00C4A8 [0,1,0,0,0,1|2,0,0]=4 1185 B8R1.2 C=Cc1cccnc1 1P003491 [0,1,0,0,0,1|2,0,0]=4 1186 B8R1.2 C=Cc1cccnn1 1P01E0FL [0,1,0,0,0,1|2,0,0]=4 1187 B8R1.2 C=Cc1ccncc1 1P0000N0 [0,1,0,0,0,1|2,0,0]=4 1188 B8R1.2 C=Cc1cnccn1 1P003IFF [0,1,0,0,0,1|2,0,0]=4 1189 B8R1.2 C=Cc1ncccn1 1P00DIF0 [0,1,0,0,0,1|2,0,0]=4 1190 B8R1.2 CCc1ccccc1 1P0000N2 [0,1,0,0,0,1|2,0,0]=4 1191 B8R1.2 CCc1ccccn1 1P0000NJ [0,1,0,0,0,1|2,0,0]=4 1192 B8R1.2 CCc1cccnc1 1P00DE9B [0,1,0,0,0,1|2,0,0]=4 1193 B8R1.2 CCc1cccnn1 1P00BI37 [0,1,0,0,0,1|2,0,0]=4 1194 B8R1.2 CCc1ccncc1 1P003LT3 [0,1,0,0,0,1|2,0,0]=4 1195 B8R1.2 CCc1ccncn1 1P0030XP [0,1,0,0,0,1|2,0,0]=4 1196 B8R1.2 CCc1cnccn1 1P003HNC [0,1,0,0,0,1|2,0,0]=4 1197 B8R1.2 CCc1ncccn1 1P00EGF2 [0,1,0,0,0,1|2,0,0]=4 1198 B8R1.2 CNc1ccccc1 1P0000NT [0,1,0,0,0,1|2,0,0]=4 1199 B8R1.2 CNc1ccccc1 1P003TNS [0,1,0,0,0,1|2,0,0]=4 1200 B8R1.2 CNc1ccccn1 1P003TP7 [0,1,0,0,0,1|2,0,0]=4 1201 B8R1.2 CNc1cccnc1 1P00289C [0,1,0,0,0,1|2,0,0]=4 1202 B8R1.2 CNc1cccnn1 1P00DM46 [0,1,0,0,0,1|2,0,0]=4 1203 B8R1.2 CNc1ccncc1 1P007CLZ [0,1,0,0,0,1|2,0,0]=4 1204 B8R1.2 CNc1ccncn1 1P00CCF5 [0,1,0,0,0,1|2,0,0]=4 1205 B8R1.2 CNc1cnccn1 1P00CL7Z [0,1,0,0,0,1|2,0,0]=4 1206 B8R1.2 CNc1ncccn1 1P00H1G9 [0,1,0,0,0,1|2,0,0]=4 1207 B8R1.2 COc1[c-]nccc1 1P008UE4 [0,1,0,0,0,1|1,1,0]=4 1208 B8R1.2 COc1ccccc1 1P0000NO [0,1,0,0,0,1|1,1,0]=4 1209 B8R1.2 COc1ccccn1 1P001TWH [0,1,0,0,0,1|1,1,0]=4 1210 B8R1.2 COc1cccnc1 1P00347L [0,1,0,0,0,1|1,1,0]=4 1211 B8R1.2 COc1cccnn1 1P002F5K [0,1,0,0,0,1|1,1,0]=4 1212 B8R1.2 COc1ccncc1 1P003M5N [0,1,0,0,0,1|1,1,0]=4 1213 B8R1.2 COc1ccncn1 1P00EFLG [0,1,0,0,0,1|1,1,0]=4 1214 B8R1.2 COc1cnccn1 1P003I17 [0,1,0,0,0,1|1,1,0]=4 1215 B8R1.2 COc1ncccn1 1P003I1A [0,1,0,0,0,1|1,1,0]=4 1216 B8R1.2 CSc1ccccc1 1P0000NM [0,1,0,0,0,1|1,0,0]=3 1217 B8R1.2 CSc1ccccn1 1P00AP6U [0,1,0,0,0,1|1,0,0]=3 1218 B8R1.2 CSc1cccnc1 1P002H17 [0,1,0,0,0,1|1,0,0]=3 1219 B8R1.2 CSc1ccncc1 1P00CCG6 [0,1,0,0,0,1|1,0,0]=3 1220 B8R1.2 CSc1cnccn1 1P003BJ9 [0,1,0,0,0,1|1,0,0]=3 1221 B8R1.2 CSc1cncnc1 1P009JCV [0,1,0,0,0,1|2,0,0]=4 1222 B8R1.2 CSc1ncccn1 1P00G4ZC [0,1,0,0,0,1|1,0,0]=3 1223 B8R1.2 CSc1nccnn1 1P002WQZ [0,1,0,0,0,1|2,0,0]=4 1224 B8R1.2 CSc1ncncn1 1P01Q3RJ [0,1,0,0,0,1|2,0,0]=4 1225 B8R1.2 C[SiH2]c1ccccc1 1P005JR8 [0,1,0,0,0,1|2,0,0]=4 1226 B8R1.2 ClCc1ccccn1 1P0033BZ [0,1,0,0,0,1|2,0,0]=4 1227 B8R1.2 ClCc1ccccn1 1P0073L5 [0,1,0,0,0,1|2,0,0]=4 1228 B8R1.2 ClCc1cccnc1 1P005WS5 [0,1,0,0,0,1|2,0,0]=4 1229 B8R1.2 ClCc1cccnn1 1P00BJDE [0,1,0,0,0,1|2,0,0]=4 1230 B8R1.2 ClCc1ccncc1 1P0023Y0 [0,1,0,0,0,1|2,0,0]=4 1231 B8R1.2 ClCc1ccncn1 1P00349Y [0,1,0,0,0,1|2,0,0]=4 1232 B8R1.2 ClCc1cnccn1 1P002KZH [0,1,0,0,0,1|2,0,0]=4 1233 B8R1.2 ClCc1ncccn1 1P003FHC [0,1,0,0,0,1|2,0,0]=4 1234 B8R1.2 ClCc1ncccn1 1P00DEW1 [0,1,0,0,0,1|2,0,0]=4 1235 B8R1.2 Cl[Mg]c1ccccc1 1P0000NV [0,1,0,0,0,1|2,0,0]=4 1236 B8R1.2 Cl[Se]c1ccccc1 1P0035XY [0,1,0,0,0,1|1,1,0]=4 1237 B8R1.2 FCc1cccnc1 1P004R6V [0,1,0,0,0,1|2,0,0]=4 1238 B8R1.2 FCc1ccncc1 1P004SSU [0,1,0,0,0,1|2,0,0]=4 1239 B8R1.2 ICc1ccccc1 1P0037QF [0,1,0,0,0,1|2,0,0]=4 1240 B8R1.2 ICc1cccnc1 1P005TG6 [0,1,0,0,0,1|2,0,0]=4 1241 B8R1.2 ICc1ccncc1 1P001AK8 [0,1,0,0,0,1|2,0,0]=4 1242 B8R1.2 N#Cc1ccccc1 1P0000MW [0,1,0,0,0,1|2,0,0]=4 1243 B8R1.2 N#Cc1ccccc1 1P001LN2 [0,1,0,0,0,1|2,0,0]=4 1244 B8R1.2 N#Cc1ccccc1 1P003OQS [0,1,0,0,0,1|2,0,0]=4 1245 B8R1.2 N#Cc1ccccn1 1P0000NK [0,1,0,0,0,1|2,0,0]=4 1246 B8R1.2 N#Cc1cccnc1 1P0000O0 [0,1,0,0,0,1|2,0,0]=4 1247 B8R1.2 N#Cc1ccncc1 1P0000MV [0,1,0,0,0,1|2,0,0]=4 1248 B8R1.2 N#Cc1ccncn1 1P003LQB [0,1,0,0,0,1|2,0,0]=4 1249 B8R1.2 N#Cc1ncccn1 1P001D8I [0,1,0,0,0,1|2,0,0]=4 1250 B8R1.2 N#[N+]c1ccccc1 1P00CLKS [0,1,0,0,0,1|2,0,0]=4 1251 B8R1.2 NCc1ccccc1 1P0000MX [0,1,0,0,0,1|2,0,0]=4 1252 B8R1.2 NCc1ccccc1 1P003OLG [0,1,0,0,0,1|2,0,0]=4 1253 B8R1.2 NCc1ccccc1 1P00BYUK [0,1,0,0,0,1|2,0,0]=4 1254 B8R1.2 NCc1ccccc1 1P00DH5Y [0,1,0,0,0,1|2,0,0]=4 1255 B8R1.2 NCc1ccccn1 1P003IDS [0,1,0,0,0,1|2,0,0]=4 1256 B8R1.2 NCc1cccnc1 1P003UIR [0,1,0,0,0,1|2,0,0]=4 1257 B8R1.2 NCc1cccnc1 1P01XEWA [0,1,0,0,0,1|2,0,0]=4 1258 B8R1.2 NCc1cccnn1 1P00GS3J [0,1,0,0,0,1|2,0,0]=4 1259 B8R1.2 NCc1cccnn1 1P01JUG1 [0,1,0,0,0,1|2,0,0]=4 1260 B8R1.2 NCc1ccncc1 1P0034LV [0,1,0,0,0,1|2,0,0]=4 1261 B8R1.2 NCc1ccncc1 1P00ED63 [0,1,0,0,0,1|2,0,0]=4 1262 B8R1.2 NCc1ccncn1 1P000A6H [0,1,0,0,0,1|2,0,0]=4 1263 B8R1.2 NCc1ccncn1 1P0038A7 [0,1,0,0,0,1|2,0,0]=4 1264 B8R1.2 NCc1ccncn1 1P00EMBN [0,1,0,0,0,1|2,0,0]=4 1265 B8R1.2 NCc1cnccn1 1P002CZT [0,1,0,0,0,1|2,0,0]=4 1266 B8R1.2 NCc1cnccn1 1P00397Q [0,1,0,0,0,1|2,0,0]=4 1267 B8R1.2 NCc1ncccn1 1P001ILN [0,1,0,0,0,1|2,0,0]=4 1268 B8R1.2 NCc1ncccn1 1P0033KZ [0,1,0,0,0,1|2,0,0]=4 1269 B8R1.2 NCc1ncccn1 1P005HA7 [0,1,0,0,0,1|2,0,0]=4 1270 B8R1.2 NCc1nccnc1 1P00HE98 [0,1,0,0,0,1|2,0,0]=4 1271 B8R1.2 NNc1ccccc1 1P0000NR [0,1,0,0,0,1|2,0,0]=4 1272 B8R1.2 NNc1ccccc1 1P0035XW [0,1,0,0,0,1|2,0,0]=4 1273 B8R1.2 NNc1ccccc1 1P003U6F [0,1,0,0,0,1|2,0,0]=4 1274 B8R1.2 NNc1ccccn1 1P003HU7 [0,1,0,0,0,1|2,0,0]=4 1275 B8R1.2 NNc1ccccn1 1P00DIES [0,1,0,0,0,1|2,0,0]=4 1276 B8R1.2 NNc1ccccn1 1P00I9B1 [0,1,0,0,0,1|2,0,0]=4 1277 B8R1.2 NNc1cccnc1 1P0037EA [0,1,0,0,0,1|2,0,0]=4 1278 B8R1.2 NNc1cccnc1 1P00398X [0,1,0,0,0,1|2,0,0]=4 1279 B8R1.2 NNc1cccnc1 1P003JZP [0,1,0,0,0,1|2,0,0]=4 1280 B8R1.2 NNc1cccnn1 1P000E2H [0,1,0,0,0,1|2,0,0]=4 1281 B8R1.2 NNc1ccncc1 1P002JZO [0,1,0,0,0,1|2,0,0]=4 1282 B8R1.2 NNc1ccncc1 1P01DFTQ [0,1,0,0,0,1|2,0,0]=4 1283 B8R1.2 NNc1ccncc1 1P01FD3X [0,1,0,0,0,1|2,0,0]=4 1284 B8R1.2 NNc1ccncn1 1P003B7Q [0,1,0,0,0,1|2,0,0]=4 1285 B8R1.2 NNc1ccncn1 1P01APGO [0,1,0,0,0,1|2,0,0]=4 1286 B8R1.2 NNc1ncccn1 1P0039KN [0,1,0,0,0,1|2,0,0]=4 1287 B8R1.2 NNc1ncccn1 1P00J3ST [0,1,0,0,0,1|2,0,0]=4 1288 B8R1.2 NOc1ccccc1 1P0037K5 [0,1,0,0,0,1|1,1,0]=4 1289 B8R1.2 N\N=c/1\cncc[nH]1 1P00394I [0,1,0,0,0,1|2,0,0]=4 1290 B8R1.2 O=Cc1ccccn1 1P0033WE [0,1,0,0,0,1|1,1,0]=4 1291 B8R1.2 O=Cc1cccnc1 1P00348S [0,1,0,0,0,1|1,1,0]=4 1292 B8R1.2 O=Cc1cccnn1 1P00EGBR [0,1,0,0,0,1|1,1,0]=4 1293 B8R1.2 O=Cc1ccncc1 1P0034LU [0,1,0,0,0,1|1,1,0]=4 1294 B8R1.2 O=Cc1ccncc1 1P003MH5 [0,1,0,0,0,1|1,1,0]=4 1295 B8R1.2 O=Cc1ccncn1 1P00360K [0,1,0,0,0,1|1,1,0]=4 1296 B8R1.2 O=Cc1cnccn1 1P003937 [0,1,0,0,0,1|1,1,0]=4 1297 B8R1.2 O=Cc1ncccn1 1P003A3I [0,1,0,0,0,1|1,1,0]=4 1298 B8R1.2 O=Nc1ccccc1 1P003AHD [0,1,0,0,0,1|1,1,0]=4 1299 B8R1.2 O=Nc1ccccn1 1P004ZQ7 [0,1,0,0,0,1|1,1,0]=4 1300 B8R1.2 O=[As]c1ccccc1 1P003U68 [0,1,0,0,0,1|1,1,0]=4 1301 B8R1.2 O=[I]c1ccccc1 1P0037R0 [0,1,0,0,0,1|1,1,0]=4 1302 B8R1.2 OCc1ccccc1 1P0000MS [0,1,0,0,0,1|1,1,0]=4 1303 B8R1.2 OCc1ccccn1 1P003UIQ [0,1,0,0,0,1|1,1,0]=4 1304 B8R1.2 OCc1cccnc1 1P0000NZ [0,1,0,0,0,1|1,1,0]=4 1305 B8R1.2 OCc1cccnn1 1P0037RV [0,1,0,0,0,1|1,1,0]=4 1306 B8R1.2 OCc1ccncc1 1P0034J2 [0,1,0,0,0,1|1,1,0]=4 1307 B8R1.2 OCc1ccncc1 1P00IBZH [0,1,0,0,0,1|1,1,0]=4 1308 B8R1.2 OCc1ccncn1 1P00BXTK [0,1,0,0,0,1|1,1,0]=4 1309 B8R1.2 OCc1cnccn1 1P0033WD [0,1,0,0,0,1|1,1,0]=4 1310 B8R1.2 OCc1ncccn1 1P003FJF [0,1,0,0,0,1|1,1,0]=4 1311 B8R1.2 ONc1ccccc1 1P0000NP [0,1,0,0,0,1|1,1,0]=4 1312 B8R1.2 ONc1ccccc1 1P00G4MK [0,1,0,0,0,1|1,1,0]=4 1313 B8R1.2 SCc1ccccc1 1P0000O1 [0,1,0,0,0,1|1,0,0]=3 1314 B8R1.2 SCc1ccccn1 1P0029Y2 [0,1,0,0,0,1|1,0,0]=3 1315 B8R1.2 SCc1cccnc1 1P0024X6 [0,1,0,0,0,1|1,0,0]=3 1316 B8R1.2 SCc1ccncc1 1P0023XZ [0,1,0,0,0,1|1,0,0]=3 1317 B8R1.2 [C-]#[N+]c1ccccc1 1P006IKG [0,1,0,0,0,1|2,0,0]=4 1318 B8R1.2 [Mg+]Cc1ccccc1 1P005L1K [0,1,0,0,0,1|2,0,0]=4 1319 B8R1.2 c1ccnnc1C#N 1P00DDD9 [0,1,0,0,0,1|2,0,0]=4 1320 B8R1.2 c1nccnc1C#N 1P002BZY [0,1,0,0,0,1|2,0,0]=4 1321 B8R1.3 Brc1ccc(=O)[nH]c1 1P01FT0W [0,1,0,0,0,1|1,1,0]=4 1322 B8R1.3 Brc1ccc(=O)[nH]n1 1P00DD49 [0,1,0,0,0,1|1,1,0]=4 1323 B8R1.3 Brc1ccc(=O)oc1 1P002CSH [0,1,0,0,0,1|0,2,0]=4 1324 B8R1.3 Brc1ccc(cc1)Br 1P00333D [0,1,0,0,0,1|2,0,0]=4 1325 B8R1.3 Brc1ccc(cc1)I 1P00336K [0,1,0,0,0,1|2,0,0]=4 1326 B8R1.3 Brc1ccc(cn1)Br 1P0033GS [0,1,0,0,0,1|2,0,0]=4 1327 B8R1.3 Brc1ccc(cn1)C 1P0033MK [0,1,0,0,0,1|2,0,0]=4 1328 B8R1.3 Brc1ccc(cn1)Cl 1P003H65 [0,1,0,0,0,1|2,0,0]=4 1329 B8R1.3 Brc1ccc(cn1)F 1P0033MD [0,1,0,0,0,1|2,0,0]=4 1330 B8R1.3 Brc1ccc(cn1)I 1P003H6M [0,1,0,0,0,1|2,0,0]=4 1331 B8R1.3 Brc1ccc(cn1)N 1P0034ND [0,1,0,0,0,1|2,0,0]=4 1332 B8R1.3 Brc1ccc(cn1)O 1P0037PB [0,1,0,0,0,1|1,1,0]=4 1333 B8R1.3 Brc1ccc(nn1)Br 1P0027OI [0,1,0,0,0,1|2,0,0]=4 1334 B8R1.3 Brc1ccc(nn1)I 1P024XO5 [0,1,0,0,0,1|2,0,0]=4 1335 B8R1.3 Brc1cnc(=O)[nH]c1 1P00522O [0,1,0,0,0,1|1,1,0]=4 1336 B8R1.3 Brc1cnc(=O)[nH]c1 1P007R0E [0,1,0,0,0,1|1,1,0]=4 1337 B8R1.3 Brc1cnc(=O)[nH]c1 1P028XWC [0,1,0,0,0,1|1,1,0]=4 1338 B8R1.3 Brc1cnc(=S)[nH]c1 1P007KX5 [0,1,0,0,0,1|1,0,1]=4 1339 B8R1.3 Brc1cnc(nc1)C 1P0034OG [0,1,0,0,0,1|2,0,0]=4 1340 B8R1.3 Brc1cnc(nc1)Cl 1P0034O9 [0,1,0,0,0,1|2,0,0]=4 1341 B8R1.3 Brc1cnc(nc1)F 1P00E9LT [0,1,0,0,0,1|2,0,0]=4 1342 B8R1.3 Brc1cnc(nc1)I 1P002817 [0,1,0,0,0,1|2,0,0]=4 1343 B8R1.3 Brc1cnc(nc1)N 1P0033KA [0,1,0,0,0,1|2,0,0]=4 1344 B8R1.3 Brc1cnc(nc1)O 1P003MY0 [0,1,0,0,0,1|1,1,0]=4 1345 B8R1.3 Brc1ncc(cn1)Br 1P003GDJ [0,1,0,0,0,1|2,0,0]=4 1346 B8R1.3 Brc1ncc(nc1)Br 1P002N26 [0,1,0,0,0,1|2,0,0]=4 1347 B8R1.3 Brc1ncc(nc1)I 1P00E9D6 [0,1,0,0,0,1|2,0,0]=4 1348 B8R1.3 Cc1c[nH]c(=O)cn1 1P002JDA [0,1,0,0,0,1|1,1,0]=4 1349 B8R1.3 Cc1cc[n+](cc1)C 1P001YMS [0,1,0,0,0,1|2,0,0]=4 1350 B8R1.3 Cc1cc[n+](cc1)C 1P002MBZ [0,1,0,0,0,1|2,0,0]=4 1351 B8R1.3 Cc1ccc(=O)[nH]c1 1P0001YV [0,1,0,0,0,1|1,1,0]=4 1352 B8R1.3 Cc1ccc(=O)[nH]n1 1P0014ZS [0,1,0,0,0,1|1,1,0]=4 1353 B8R1.3 Cc1ccc(=O)[nH]n1 1P003NRL [0,1,0,0,0,1|1,1,0]=4 1354 B8R1.3 Cc1ccc(=O)[nH]n1 1P0068H5 [0,1,0,0,0,1|1,1,0]=4 1355 B8R1.3 Cc1ccc(cc1)Br 1P0038GM [0,1,0,0,0,1|2,0,0]=4 1356 B8R1.3 Cc1ccc(cc1)C 1P003608 [0,1,0,0,0,1|2,0,0]=4 1357 B8R1.3 Cc1ccc(cc1)Cl 1P003LPB [0,1,0,0,0,1|2,0,0]=4 1358 B8R1.3 Cc1ccc(cc1)F 1P003U4A [0,1,0,0,0,1|2,0,0]=4 1359 B8R1.3 Cc1ccc(cc1)I 1P0034JN [0,1,0,0,0,1|2,0,0]=4 1360 B8R1.3 Cc1ccc(cc1)I 1P007BGQ [0,1,0,0,0,1|2,0,0]=4 1361 B8R1.3 Cc1ccc(cc1)N 1P003605 [0,1,0,0,0,1|2,0,0]=4 1362 B8R1.3 Cc1ccc(cc1)N 1P003UHX [0,1,0,0,0,1|2,0,0]=4 1363 B8R1.3 Cc1ccc(cc1)O 1P003U0X [0,1,0,0,0,1|1,1,0]=4 1364 B8R1.3 Cc1ccc(cc1)S 1P003604 [0,1,0,0,0,1|1,0,0]=3 1365 B8R1.3 Cc1ccc(cc1)[Mg+] 1P003UI4 [0,1,0,0,0,1|2,0,0]=4 1366 B8R1.3 Cc1ccc(cn1)Br 1P0034OK [0,1,0,0,0,1|2,0,0]=4 1367 B8R1.3 Cc1ccc(cn1)C 1P0033HD [0,1,0,0,0,1|2,0,0]=4 1368 B8R1.3 Cc1ccc(cn1)Cl 1P003707 [0,1,0,0,0,1|2,0,0]=4 1369 B8R1.3 Cc1ccc(cn1)F 1P0038JB [0,1,0,0,0,1|2,0,0]=4 1370 B8R1.3 Cc1ccc(cn1)I 1P005Y11 [0,1,0,0,0,1|2,0,0]=4 1371 B8R1.3 Cc1ccc(cn1)N 1P003MU7 [0,1,0,0,0,1|2,0,0]=4 1372 B8R1.3 Cc1ccc(cn1)O 1P003K0R [0,1,0,0,0,1|1,1,0]=4 1373 B8R1.3 Cc1ccc(cn1)[S-] 1P01FLFN [0,1,0,0,0,1|1,0,1]=4 1374 B8R1.3 Cc1ccc(nn1)Br 1P00343A [0,1,0,0,0,1|2,0,0]=4 1375 B8R1.3 Cc1ccc(nn1)C 1P001UBL [0,1,0,0,0,1|2,0,0]=4 1376 B8R1.3 Cc1ccc(nn1)Cl 1P003JQR [0,1,0,0,0,1|2,0,0]=4 1377 B8R1.3 Cc1ccc(nn1)F 1P01BY1P [0,1,0,0,0,1|2,0,0]=4 1378 B8R1.3 Cc1ccc(nn1)I 1P001WDP [0,1,0,0,0,1|2,0,0]=4 1379 B8R1.3 Cc1ccc(nn1)N 1P003420 [0,1,0,0,0,1|2,0,0]=4 1380 B8R1.3 Cc1ccc(nn1)S 1P00EGKW [0,1,0,0,0,1|1,0,0]=3 1381 B8R1.3 Cc1cnc(=S)[nH]c1 1P019VBZ [0,1,0,0,0,1|1,0,1]=4 1382 B8R1.3 Cc1cnc(nc1)Br 1P001MP5 [0,1,0,0,0,1|2,0,0]=4 1383 B8R1.3 Cc1cnc(nc1)Cl 1P003HFX [0,1,0,0,0,1|2,0,0]=4 1384 B8R1.3 Cc1cnc(nc1)F 1P00EIC2 [0,1,0,0,0,1|2,0,0]=4 1385 B8R1.3 Cc1cnc(nc1)I 1P00AR5N [0,1,0,0,0,1|2,0,0]=4 1386 B8R1.3 Cc1cnc(nc1)N 1P00DC10 [0,1,0,0,0,1|2,0,0]=4 1387 B8R1.3 Cc1cnc(nc1)O 1P00C7DH [0,1,0,0,0,1|1,1,0]=4 1388 B8R1.3 Cc1cnc(nc1)O 1P00J31R [0,1,0,0,0,1|1,1,0]=4 1389 B8R1.3 Cc1cnc(nc1)S 1P00C7RF [0,1,0,0,0,1|1,0,0]=3 1390 B8R1.3 Cc1ncc(nc1)Br 1P0038ZG [0,1,0,0,0,1|2,0,0]=4 1391 B8R1.3 Cc1ncc(nc1)C 1P000KCZ [0,1,0,0,0,1|2,0,0]=4 1392 B8R1.3 Cc1ncc(nc1)Cl 1P0037HG [0,1,0,0,0,1|2,0,0]=4 1393 B8R1.3 Cc1ncc(nc1)I 1P00GZ59 [0,1,0,0,0,1|2,0,0]=4 1394 B8R1.3 Cc1ncc(nc1)N 1P003ND3 [0,1,0,0,0,1|2,0,0]=4 1395 B8R1.3 Clc1c[nH]c(=O)cn1 1P003773 [0,1,0,0,0,1|1,1,0]=4 1396 B8R1.3 Clc1ccc(=O)[nH]c1 1P003N3L [0,1,0,0,0,1|1,1,0]=4 1397 B8R1.3 Clc1ccc(=O)[nH]n1 1P002F5J [0,1,0,0,0,1|1,1,0]=4 1398 B8R1.3 Clc1ccc(=S)[nH]c1 1P003N5K [0,1,0,0,0,1|1,0,1]=4 1399 B8R1.3 Clc1ccc(=S)[nH]n1 1P0038DF [0,1,0,0,0,1|1,0,1]=4 1400 B8R1.3 Clc1ccc(cc1)Br 1P003LGI [0,1,0,0,0,1|2,0,0]=4 1401 B8R1.3 Clc1ccc(cc1)Cl 1P00333H [0,1,0,0,0,1|2,0,0]=4 1402 B8R1.3 Clc1ccc(cc1)I 1P003EOU [0,1,0,0,0,1|2,0,0]=4 1403 B8R1.3 Clc1ccc(cn1)Br 1P0034O8 [0,1,0,0,0,1|2,0,0]=4 1404 B8R1.3 Clc1ccc(cn1)C 1P0039DK [0,1,0,0,0,1|2,0,0]=4 1405 B8R1.3 Clc1ccc(cn1)Cl 1P001SM7 [0,1,0,0,0,1|2,0,0]=4 1406 B8R1.3 Clc1ccc(cn1)F 1P003HFF [0,1,0,0,0,1|2,0,0]=4 1407 B8R1.3 Clc1ccc(cn1)I 1P003HFQ [0,1,0,0,0,1|2,0,0]=4 1408 B8R1.3 Clc1ccc(cn1)N 1P0037RK [0,1,0,0,0,1|2,0,0]=4 1409 B8R1.3 Clc1ccc(cn1)O 1P0033P0 [0,1,0,0,0,1|1,1,0]=4 1410 B8R1.3 Clc1ccc(nn1)Br 1P0040G7 [0,1,0,0,0,1|2,0,0]=4 1411 B8R1.3 Clc1ccc(nn1)Cl 1P001G69 [0,1,0,0,0,1|2,0,0]=4 1412 B8R1.3 Clc1ccc(nn1)I 1P00344U [0,1,0,0,0,1|2,0,0]=4 1413 B8R1.3 Clc1cnc(=O)[nH]c1 1P00DETG [0,1,0,0,0,1|1,1,0]=4 1414 B8R1.3 Clc1cnc(nc1)Br 1P000MF4 [0,1,0,0,0,1|2,0,0]=4 1415 B8R1.3 Clc1cnc(nc1)C 1P00DGG9 [0,1,0,0,0,1|2,0,0]=4 1416 B8R1.3 Clc1cnc(nc1)F 1P00ELBL [0,1,0,0,0,1|2,0,0]=4 1417 B8R1.3 Clc1cnc(nc1)I 1P003N3M [0,1,0,0,0,1|2,0,0]=4 1418 B8R1.3 Clc1cnc(nc1)N 1P00D8IX [0,1,0,0,0,1|2,0,0]=4 1419 B8R1.3 Clc1cnc(nc1)O 1P00I8PR [0,1,0,0,0,1|1,1,0]=4 1420 B8R1.3 Clc1ncc(cn1)Cl 1P0033GX [0,1,0,0,0,1|2,0,0]=4 1421 B8R1.3 Clc1ncc(nc1)Br 1P0037BF [0,1,0,0,0,1|2,0,0]=4 1422 B8R1.3 Clc1ncc(nc1)Cl 1P002BAR [0,1,0,0,0,1|2,0,0]=4 1423 B8R1.3 Clc1ncc(nc1)I 1P007XHW [0,1,0,0,0,1|2,0,0]=4 1424 B8R1.3 Fc1ccc(=N)[nH]c1 1P003GXR [0,1,0,0,0,1|2,0,0]=4 1425 B8R1.3 Fc1ccc(=O)[nH]n1 1P019DIV [0,1,0,0,0,1|1,1,0]=4 1426 B8R1.3 Fc1ccc(cc1)Br 1P00336J [0,1,0,0,0,1|2,0,0]=4 1427 B8R1.3 Fc1ccc(cc1)Cl 1P007FJJ [0,1,0,0,0,1|2,0,0]=4 1428 B8R1.3 Fc1ccc(cc1)F 1P00IA3R [0,1,0,0,0,1|2,0,0]=4 1429 B8R1.3 Fc1ccc(cc1)I 1P0034I3 [0,1,0,0,0,1|2,0,0]=4 1430 B8R1.3 Fc1ccc(cc1)S 1P0034ID [0,1,0,0,0,1|1,0,0]=3 1431 B8R1.3 Fc1ccc(cn1)Br 1P003HQQ [0,1,0,0,0,1|2,0,0]=4 1432 B8R1.3 Fc1ccc(cn1)C 1P002OMU [0,1,0,0,0,1|2,0,0]=4 1433 B8R1.3 Fc1ccc(cn1)Cl 1P0034PI [0,1,0,0,0,1|2,0,0]=4 1434 B8R1.3 Fc1ccc(cn1)F 1P003GF6 [0,1,0,0,0,1|2,0,0]=4 1435 B8R1.3 Fc1ccc(cn1)I 1P00APXU [0,1,0,0,0,1|2,0,0]=4 1436 B8R1.3 Fc1ccc(cn1)N 1P0024K6 [0,1,0,0,0,1|2,0,0]=4 1437 B8R1.3 Fc1ccc(cn1)O 1P0033RZ [0,1,0,0,0,1|1,1,0]=4 1438 B8R1.3 Fc1ccc(nn1)Br 1P009I30 [0,1,0,0,0,1|2,0,0]=4 1439 B8R1.3 Fc1ccc(nn1)Cl 1P00CJB0 [0,1,0,0,0,1|2,0,0]=4 1440 B8R1.3 Fc1ccc(nn1)F 1P007HVY [0,1,0,0,0,1|2,0,0]=4 1441 B8R1.3 Fc1ccc(nn1)I 1P001TMP [0,1,0,0,0,1|2,0,0]=4 1442 B8R1.3 Fc1cnc(=O)[nH]c1 1P0028LS [0,1,0,0,0,1|1,1,0]=4 1443 B8R1.3 Fc1cnc(nc1)Br 1P006SSP [0,1,0,0,0,1|2,0,0]=4 1444 B8R1.3 Fc1cnc(nc1)C 1P00DICK [0,1,0,0,0,1|2,0,0]=4 1445 B8R1.3 Fc1cnc(nc1)Cl 1P003HFH [0,1,0,0,0,1|2,0,0]=4 1446 B8R1.3 Fc1cnc(nc1)I 1P01KHIN [0,1,0,0,0,1|2,0,0]=4 1447 B8R1.3 Fc1cnc(nc1)N 1P001YHL [0,1,0,0,0,1|2,0,0]=4 1448 B8R1.3 Fc1ncc(cn1)F 1P00ARLR [0,1,0,0,0,1|2,0,0]=4 1449 B8R1.3 Fc1ncc(nc1)Br 1P0039TL [0,1,0,0,0,1|2,0,0]=4 1450 B8R1.3 Fc1ncc(nc1)Cl 1P01JWK5 [0,1,0,0,0,1|2,0,0]=4 1451 B8R1.3 Fc1ncc(nc1)F 1P01BA7S [0,1,0,0,0,1|2,0,0]=4 1452 B8R1.3 Ic1ccc(=N)[nH]n1 1P00IG8F [0,1,0,0,0,1|2,0,0]=4 1453 B8R1.3 Ic1ccc(=O)[nH]c1 1P007MAM [0,1,0,0,0,1|1,1,0]=4 1454 B8R1.3 Ic1ccc(cc1)I 1P00333Q [0,1,0,0,0,1|2,0,0]=4 1455 B8R1.3 Ic1ccc(cn1)Br 1P003806 [0,1,0,0,0,1|2,0,0]=4 1456 B8R1.3 Ic1ccc(cn1)C 1P00BFPI [0,1,0,0,0,1|2,0,0]=4 1457 B8R1.3 Ic1ccc(cn1)Cl 1P00BD18 [0,1,0,0,0,1|2,0,0]=4 1458 B8R1.3 Ic1ccc(cn1)F 1P001RXK [0,1,0,0,0,1|2,0,0]=4 1459 B8R1.3 Ic1ccc(cn1)I 1P000CBM [0,1,0,0,0,1|2,0,0]=4 1460 B8R1.3 Ic1ccc(cn1)N 1P003MTZ [0,1,0,0,0,1|2,0,0]=4 1461 B8R1.3 Ic1ccc(cn1)O 1P000Z9C [0,1,0,0,0,1|1,1,0]=4 1462 B8R1.3 Ic1ccc(nn1)I 1P002J85 [0,1,0,0,0,1|2,0,0]=4 1463 B8R1.3 Ic1cnc(=O)[nH]c1 1P003HVH [0,1,0,0,0,1|1,1,0]=4 1464 B8R1.3 Ic1cnc(nc1)Br 1P00IGOI [0,1,0,0,0,1|2,0,0]=4 1465 B8R1.3 Ic1cnc(nc1)C 1P020M10 [0,1,0,0,0,1|2,0,0]=4 1466 B8R1.3 Ic1cnc(nc1)Cl 1P0033P2 [0,1,0,0,0,1|2,0,0]=4 1467 B8R1.3 Ic1cnc(nc1)F 1P005IU9 [0,1,0,0,0,1|2,0,0]=4 1468 B8R1.3 Ic1cnc(nc1)N 1P001K46 [0,1,0,0,0,1|2,0,0]=4 1469 B8R1.3 Nc1ccc(=O)[nH]n1 1P003NJN [0,1,0,0,0,1|1,1,0]=4 1470 B8R1.3 Nc1ccc(cc1)Br 1P0039G2 [0,1,0,0,0,1|2,0,0]=4 1471 B8R1.3 Nc1ccc(cc1)Br 1P00ED8O [0,1,0,0,0,1|2,0,0]=4 1472 B8R1.3 Nc1ccc(cc1)Cl 1P0034GG [0,1,0,0,0,1|2,0,0]=4 1473 B8R1.3 Nc1ccc(cc1)Cl 1P00I49K [0,1,0,0,0,1|2,0,0]=4 1474 B8R1.3 Nc1ccc(cc1)F 1P0038F1 [0,1,0,0,0,1|2,0,0]=4 1475 B8R1.3 Nc1ccc(cc1)F 1P00BG1J [0,1,0,0,0,1|2,0,0]=4 1476 B8R1.3 Nc1ccc(cc1)I 1P0034JH [0,1,0,0,0,1|2,0,0]=4 1477 B8R1.3 Nc1ccc(cc1)N 1P001TMX [0,1,0,0,0,1|2,0,0]=4 1478 B8R1.3 Nc1ccc(cc1)N 1P003336 [0,1,0,0,0,1|2,0,0]=4 1479 B8R1.3 Nc1ccc(cc1)N 1P003E4B [0,1,0,0,0,1|2,0,0]=4 1480 B8R1.3 Nc1ccc(cc1)N 1P01DHV3 [0,1,0,0,0,1|2,0,0]=4 1481 B8R1.3 Nc1ccc(cc1)O 1P0034DF [0,1,0,0,0,1|1,1,0]=4 1482 B8R1.3 Nc1ccc(cc1)O 1P00IBM3 [0,1,0,0,0,1|1,1,0]=4 1483 B8R1.3 Nc1ccc(cc1)S 1P000PND [0,1,0,0,0,1|1,0,0]=3 1484 B8R1.3 Nc1ccc(cn1)Br 1P0033K9 [0,1,0,0,0,1|2,0,0]=4 1485 B8R1.3 Nc1ccc(cn1)C 1P003GY3 [0,1,0,0,0,1|2,0,0]=4 1486 B8R1.3 Nc1ccc(cn1)Cl 1P0033KG [0,1,0,0,0,1|2,0,0]=4 1487 B8R1.3 Nc1ccc(cn1)I 1P002ACG [0,1,0,0,0,1|2,0,0]=4 1488 B8R1.3 Nc1ccc(cn1)N 1P003UJ0 [0,1,0,0,0,1|2,0,0]=4 1489 B8R1.3 Nc1ccc(cn1)N 1P00BC5O [0,1,0,0,0,1|2,0,0]=4 1490 B8R1.3 Nc1ccc(cn1)O 1P0034SD [0,1,0,0,0,1|1,1,0]=4 1491 B8R1.3 Nc1ccc(cn1)O 1P0036WS [0,1,0,0,0,1|1,1,0]=4 1492 B8R1.3 Nc1ccc(cn1)O 1P01KZDN [0,1,0,0,0,1|1,1,0]=4 1493 B8R1.3 Nc1ccc(nn1)Br 1P0036R6 [0,1,0,0,0,1|2,0,0]=4 1494 B8R1.3 Nc1ccc(nn1)Cl 1P003NNM [0,1,0,0,0,1|2,0,0]=4 1495 B8R1.3 Nc1ccc(nn1)F 1P007CER [0,1,0,0,0,1|2,0,0]=4 1496 B8R1.3 Nc1ccc(nn1)I 1P002H2L [0,1,0,0,0,1|2,0,0]=4 1497 B8R1.3 Nc1ccc(nn1)N 1P00EGBP [0,1,0,0,0,1|2,0,0]=4 1498 B8R1.3 Nc1ccc(nn1)O 1P01ADKG [0,1,0,0,0,1|1,1,0]=4 1499 B8R1.3 Nc1cnc(nc1)Br 1P00ED1R [0,1,0,0,0,1|2,0,0]=4 1500 B8R1.3 Nc1cnc(nc1)C 1P003MU8 [0,1,0,0,0,1|2,0,0]=4 1501 B8R1.3 Nc1cnc(nc1)Cl 1P0034NG [0,1,0,0,0,1|2,0,0]=4 1502 B8R1.3 Nc1cnc(nc1)F 1P00E9OS [0,1,0,0,0,1|2,0,0]=4 1503 B8R1.3 Nc1cnc(nc1)I 1P01JPJ7 [0,1,0,0,0,1|2,0,0]=4 1504 B8R1.3 Nc1ncc(cn1)N 1P007OGK [0,1,0,0,0,1|2,0,0]=4 1505 B8R1.3 Nc1ncc(nc1)Br 1P003GXE [0,1,0,0,0,1|2,0,0]=4 1506 B8R1.3 Nc1ncc(nc1)Cl 1P0033KF [0,1,0,0,0,1|2,0,0]=4 1507 B8R1.3 Nc1ncc(nc1)F 1P0281L5 [0,1,0,0,0,1|2,0,0]=4 1508 B8R1.3 Nc1ncc(nc1)I 1P0036QW [0,1,0,0,0,1|2,0,0]=4 1509 B8R1.3 Nc1ncc(nc1)N 1P001REY [0,1,0,0,0,1|2,0,0]=4 1510 B8R1.3 Nc1ncc(nc1)N 1P005I0L [0,1,0,0,0,1|2,0,0]=4 1511 B8R1.3 O=C1C=CC(=O)C=C1 1P009L3D [0,1,0,0,0,1|1,1,0]=4 1512 B8R1.3 O=c1ccc(=O)[nH][nH]1 1P00035V [0,1,0,0,0,1|1,1,0]=4 1513 B8R1.3 Oc1ccc(=O)[nH]c1 1P00DEMJ [0,1,0,0,0,1|1,1,0]=4 1514 B8R1.3 Oc1ccc(cc1)Br 1P0038P9 [0,1,0,0,0,1|1,1,0]=4 1515 B8R1.3 Oc1ccc(cc1)Cl 1P000PNE [0,1,0,0,0,1|1,1,0]=4 1516 B8R1.3 Oc1ccc(cc1)Cl 1P0034GW [0,1,0,0,0,1|1,1,0]=4 1517 B8R1.3 Oc1ccc(cc1)F 1P0034I5 [0,1,0,0,0,1|1,1,0]=4 1518 B8R1.3 Oc1ccc(cc1)I 1P00DZGL [0,1,0,0,0,1|1,1,0]=4 1519 B8R1.3 Oc1ccc(cc1)O 1P003RFM [0,1,0,0,0,1|1,1,0]=4 1520 B8R1.3 Oc1ccc(cc1)O 1P0084A5 [0,1,0,0,0,1|1,1,0]=4 1521 B8R1.3 Oc1ccc(cc1)S 1P003M2L [0,1,0,0,0,1|1,0,0]=3 1522 B8R1.3 Oc1ccc(cc1)[NH3+] 1P00ILXP [0,1,0,0,0,1|1,1,0]=4 1523 B8R1.3 Oc1ccc(cn1)Br 1P0033T3 [0,1,0,0,0,1|1,1,0]=4 1524 B8R1.3 Oc1ccc(cn1)C 1P0068BS [0,1,0,0,0,1|1,1,0]=4 1525 B8R1.3 Oc1ccc(cn1)F 1P00I9MG [0,1,0,0,0,1|1,1,0]=4 1526 B8R1.3 Oc1ccc(cn1)I 1P01FVCZ [0,1,0,0,0,1|1,1,0]=4 1527 B8R1.3 Oc1ccc(cn1)N 1P0077NO [0,1,0,0,0,1|1,1,0]=4 1528 B8R1.3 Oc1ccc(cn1)N 1P00I734 [0,1,0,0,0,1|1,1,0]=4 1529 B8R1.3 Oc1cnc(nc1)Br 1P000LZC [0,1,0,0,0,1|2,0,0]=4 1530 B8R1.3 Oc1cnc(nc1)C 1P003N92 [0,1,0,0,0,1|2,0,0]=4 1531 B8R1.3 Oc1cnc(nc1)Cl 1P0033P1 [0,1,0,0,0,1|2,0,0]=4 1532 B8R1.3 Oc1cnc(nc1)N 1P007ZBH [0,1,0,0,0,1|2,0,0]=4 1533 B8R1.3 Oc1ncc(nc1)Br 1P003H6I [0,1,0,0,0,1|1,1,0]=4 1534 B8R1.3 Oc1ncc(nc1)I 1P01B93S [0,1,0,0,0,1|1,1,0]=4 1535 B8R1.3 Sc1ccc(cc1)Br 1P0034FI [0,1,0,0,0,1|1,0,0]=3 1536 B8R1.3 Sc1ccc(cc1)Cl 1P0034H5 [0,1,0,0,0,1|1,0,0]=3 1537 B8R1.3 Sc1ccc(cc1)I 1P00DME4 [0,1,0,0,0,1|1,0,0]=3 1538 B8R1.3 Sc1ccc(cc1)S 1P003E30 [0,1,0,0,0,1|1,0,0]=3 1539 B8R1.3 Sc1ccc(cn1)Br 1P00EGLR [0,1,0,0,0,1|1,0,0]=3 1540 B8R1.3 Sc1ccc(cn1)C 1P007TI4 [0,1,0,0,0,1|1,0,0]=3 1541 B8R1.3 Sc1ccc(cn1)F 1P01X1P9 [0,1,0,0,0,1|1,0,0]=3 1542 B8R1.3 [O-][n+]1ccc(cc1)Br 1P0038KR [0,1,0,0,0,1|2,0,0]=4 1543 B8R1.3 [O-][n+]1ccc(cc1)C 1P0001YW [0,1,0,0,0,1|2,0,0]=4 1544 B8R1.3 [O-][n+]1ccc(cc1)Cl 1P003LP0 [0,1,0,0,0,1|2,0,0]=4 1545 B8R1.3 [O-][n+]1ccc(cc1)F 1P000N1Q [0,1,0,0,0,1|2,0,0]=4 1546 B8R1.3 [O-][n+]1ccc(cc1)N 1P01BIVP [0,1,0,0,0,1|2,0,0]=4 1547 B8R1.3 [O-][n+]1ccc(cc1)O 1P006GBX [0,1,0,0,0,1|1,1,0]=4 1548 B8R1.3 [S-]c1ccc(cc1)C 1P003M7Y [0,1,0,0,0,1|1,0,1]=4 1549 B8R1.4 Brc1cc[nH]c(=O)n1 1P00DL8O [0,1,0,0,0,1|1,1,0]=4 1550 B8R1.4 Brc1cccc(c1)Br 1P0038GG [0,1,0,0,0,1|2,0,0]=4 1551 B8R1.4 Brc1cccc(c1)I 1P00336D [0,1,0,0,0,1|2,0,0]=4 1552 B8R1.4 Brc1cccc(n1)Br 1P0033HP [0,1,0,0,0,1|2,0,0]=4 1553 B8R1.4 Brc1cccc(n1)I 1P002NMA [0,1,0,0,0,1|2,0,0]=4 1554 B8R1.4 Brc1ccnc(c1)Br 1P00IAV6 [0,1,0,0,0,1|2,0,0]=4 1555 B8R1.4 Brc1ccnc(c1)C 1P003LDY [0,1,0,0,0,1|2,0,0]=4 1556 B8R1.4 Brc1ccnc(c1)C 1P00J1W2 [0,1,0,0,0,1|2,0,0]=4 1557 B8R1.4 Brc1ccnc(c1)Cl 1P0034DY [0,1,0,0,0,1|2,0,0]=4 1558 B8R1.4 Brc1ccnc(c1)F 1P000Y6T [0,1,0,0,0,1|2,0,0]=4 1559 B8R1.4 Brc1ccnc(c1)I 1P0002PZ [0,1,0,0,0,1|2,0,0]=4 1560 B8R1.4 Brc1ccnc(c1)N 1P0033JW [0,1,0,0,0,1|2,0,0]=4 1561 B8R1.4 Brc1ccnc(c1)O 1P0034E6 [0,1,0,0,0,1|1,1,0]=4 1562 B8R1.4 Brc1ccnc(n1)Br 1P00BYDM [0,1,0,0,0,1|2,0,0]=4 1563 B8R1.4 Brc1ccnc(n1)C 1P007TD4 [0,1,0,0,0,1|2,0,0]=4 1564 B8R1.4 Brc1ccnc(n1)Cl 1P0038U8 [0,1,0,0,0,1|2,0,0]=4 1565 B8R1.4 Brc1ccnc(n1)F 1P009MBT [0,1,0,0,0,1|2,0,0]=4 1566 B8R1.4 Brc1ccnc(n1)N 1P00C7KA [0,1,0,0,0,1|2,0,0]=4 1567 B8R1.4 Brc1ccoc(=O)c1 1P003HU4 [0,1,0,0,0,1|0,2,0]=4 1568 B8R1.4 Brc1cncc(c1)Br 1P0033ZU [0,1,0,0,0,1|2,0,0]=4 1569 B8R1.4 Brc1cncc(c1)I 1P002NGQ [0,1,0,0,0,1|2,0,0]=4 1570 B8R1.4 Brc1cncc(n1)Br 1P002N27 [0,1,0,0,0,1|2,0,0]=4 1571 B8R1.4 Brc1cnnc(c1)Br 1P000PSJ [0,1,0,0,0,1|2,0,0]=4 1572 B8R1.4 Brc1cnnc(c1)C 1P028F5O [0,1,0,0,0,1|2,0,0]=4 1573 B8R1.4 Brc1cnnc(c1)Cl 1P000PSK [0,1,0,0,0,1|2,0,0]=4 1574 B8R1.4 Brc1cnnc(c1)N 1P008ZIS [0,1,0,0,0,1|2,0,0]=4 1575 B8R1.4 Brc1ncnc(c1)Br 1P0034C0 [0,1,0,0,0,1|2,0,0]=4 1576 B8R1.4 C[n+]1cccc(c1)Br 1P00C80C [0,1,0,0,0,1|2,0,0]=4 1577 B8R1.4 C[n+]1cccc(c1)Cl 1P01EWVP [0,1,0,0,0,1|2,0,0]=4 1578 B8R1.4 C[n+]1cccc(c1)I 1P01FCKC [0,1,0,0,0,1|2,0,0]=4 1579 B8R1.4 C[n+]1cccc(c1)N 1P01EXSA [0,1,0,0,0,1|2,0,0]=4 1580 B8R1.4 C[n+]1ccnc(c1)Cl 1P01EW2I [0,1,0,0,0,1|2,0,0]=4 1581 B8R1.4 Cc1cc(=O)[nH]nc1 1P003NC4 [0,1,0,0,0,1|1,1,0]=4 1582 B8R1.4 Cc1cc[nH]c(=S)n1 1P003HYQ [0,1,0,0,0,1|1,0,1]=4 1583 B8R1.4 Cc1cccc(=O)[nH]1 1P00I6PQ [0,1,0,0,0,1|1,1,0]=4 1584 B8R1.4 Cc1cccc(=O)[nH]1 1P01A5YK [0,1,0,0,0,1|1,1,0]=4 1585 B8R1.4 Cc1cccc(c1)Br 1P003JM4 [0,1,0,0,0,1|2,0,0]=4 1586 B8R1.4 Cc1cccc(c1)C 1P0035QQ [0,1,0,0,0,1|2,0,0]=4 1587 B8R1.4 Cc1cccc(c1)Cl 1P00345C [0,1,0,0,0,1|2,0,0]=4 1588 B8R1.4 Cc1cccc(c1)F 1P00I7FR [0,1,0,0,0,1|2,0,0]=4 1589 B8R1.4 Cc1cccc(c1)I 1P003K2K [0,1,0,0,0,1|2,0,0]=4 1590 B8R1.4 Cc1cccc(c1)N 1P00348Z [0,1,0,0,0,1|2,0,0]=4 1591 B8R1.4 Cc1cccc(c1)N 1P003SN3 [0,1,0,0,0,1|2,0,0]=4 1592 B8R1.4 Cc1cccc(c1)O 1P003RX9 [0,1,0,0,0,1|1,1,0]=4 1593 B8R1.4 Cc1cccc(c1)S 1P003K79 [0,1,0,0,0,1|1,0,0]=3 1594 B8R1.4 Cc1cccc(n1)Br 1P003H7Q [0,1,0,0,0,1|2,0,0]=4 1595 B8R1.4 Cc1cccc(n1)C 1P0033IS [0,1,0,0,0,1|2,0,0]=4 1596 B8R1.4 Cc1cccc(n1)Cl 1P003HHO [0,1,0,0,0,1|2,0,0]=4 1597 B8R1.4 Cc1cccc(n1)F 1P003HRV [0,1,0,0,0,1|2,0,0]=4 1598 B8R1.4 Cc1cccc(n1)I 1P00EAYX [0,1,0,0,0,1|2,0,0]=4 1599 B8R1.4 Cc1cccc(n1)N 1P0024B7 [0,1,0,0,0,1|2,0,0]=4 1600 B8R1.4 Cc1cccc(n1)S 1P003HYW [0,1,0,0,0,1|1,0,0]=3 1601 B8R1.4 Cc1ccnc(=O)[nH]1 1P0033T2 [0,1,0,0,0,1|1,1,0]=4 1602 B8R1.4 Cc1ccnc(c1)Br 1P003H5D [0,1,0,0,0,1|2,0,0]=4 1603 B8R1.4 Cc1ccnc(c1)C 1P0039FY [0,1,0,0,0,1|2,0,0]=4 1604 B8R1.4 Cc1ccnc(c1)Cl 1P003HEL [0,1,0,0,0,1|2,0,0]=4 1605 B8R1.4 Cc1ccnc(c1)F 1P003HQB [0,1,0,0,0,1|2,0,0]=4 1606 B8R1.4 Cc1ccnc(c1)I 1P00BG0M [0,1,0,0,0,1|2,0,0]=4 1607 B8R1.4 Cc1ccnc(c1)N 1P003GW8 [0,1,0,0,0,1|2,0,0]=4 1608 B8R1.4 Cc1ccnc(c1)O 1P003HVA [0,1,0,0,0,1|1,1,0]=4 1609 B8R1.4 Cc1ccnc(c1)S 1P0076M3 [0,1,0,0,0,1|1,0,0]=3 1610 B8R1.4 Cc1ccnc(n1)Br 1P000V75 [0,1,0,0,0,1|2,0,0]=4 1611 B8R1.4 Cc1ccnc(n1)C 1P009I3B [0,1,0,0,0,1|2,0,0]=4 1612 B8R1.4 Cc1ccnc(n1)Cl 1P000URR [0,1,0,0,0,1|2,0,0]=4 1613 B8R1.4 Cc1ccnc(n1)I 1P000P6W [0,1,0,0,0,1|2,0,0]=4 1614 B8R1.4 Cc1ccnc(n1)N 1P003GW9 [0,1,0,0,0,1|2,0,0]=4 1615 B8R1.4 Cc1ccnc(n1)O 1P006UK2 [0,1,0,0,0,1|1,1,0]=4 1616 B8R1.4 Cc1ccnc(n1)S 1P00CI6Y [0,1,0,0,0,1|1,0,0]=3 1617 B8R1.4 Cc1cncc(=O)[nH]1 1P002JD9 [0,1,0,0,0,1|1,1,0]=4 1618 B8R1.4 Cc1cncc(c1)Br 1P00I78L [0,1,0,0,0,1|2,0,0]=4 1619 B8R1.4 Cc1cncc(c1)C 1P00IAZ1 [0,1,0,0,0,1|2,0,0]=4 1620 B8R1.4 Cc1cncc(c1)Cl 1P002GA6 [0,1,0,0,0,1|2,0,0]=4 1621 B8R1.4 Cc1cncc(c1)F 1P003JXJ [0,1,0,0,0,1|2,0,0]=4 1622 B8R1.4 Cc1cncc(c1)I 1P00AKYW [0,1,0,0,0,1|2,0,0]=4 1623 B8R1.4 Cc1cncc(c1)N 1P00BYXN [0,1,0,0,0,1|2,0,0]=4 1624 B8R1.4 Cc1cncc(c1)N 1P00H8HS [0,1,0,0,0,1|2,0,0]=4 1625 B8R1.4 Cc1cncc(c1)O 1P00346N [0,1,0,0,0,1|1,1,0]=4 1626 B8R1.4 Cc1cncc(n1)Br 1P00GSY8 [0,1,0,0,0,1|2,0,0]=4 1627 B8R1.4 Cc1cncc(n1)C 1P003GMF [0,1,0,0,0,1|2,0,0]=4 1628 B8R1.4 Cc1cncc(n1)Cl 1P003HHN [0,1,0,0,0,1|2,0,0]=4 1629 B8R1.4 Cc1cncc(n1)F 1P0286PL [0,1,0,0,0,1|2,0,0]=4 1630 B8R1.4 Cc1cncc(n1)N 1P003GZE [0,1,0,0,0,1|2,0,0]=4 1631 B8R1.4 Cc1cnnc(c1)Cl 1P00414T [0,1,0,0,0,1|2,0,0]=4 1632 B8R1.4 Cc1cnnc(c1)I 1P01DZB7 [0,1,0,0,0,1|2,0,0]=4 1633 B8R1.4 Cc1cnnc(c1)N 1P001JQC [0,1,0,0,0,1|2,0,0]=4 1634 B8R1.4 Cc1nc[nH]c(=O)c1 1P00BXVE [0,1,0,0,0,1|1,1,0]=4 1635 B8R1.4 Cc1nc[nH]c(=O)c1 1P027YSW [0,1,0,0,0,1|1,1,0]=4 1636 B8R1.4 Cc1nc[nH]c(=S)c1 1P00DYAU [0,1,0,0,0,1|1,0,1]=4 1637 B8R1.4 Cc1nccc(=N)[nH]1 1P00GATC [0,1,0,0,0,1|2,0,0]=4 1638 B8R1.4 Cc1nccc(=O)[nH]1 1P002C6Y [0,1,0,0,0,1|1,1,0]=4 1639 B8R1.4 Cc1ncnc(c1)Br 1P00375E [0,1,0,0,0,1|2,0,0]=4 1640 B8R1.4 Cc1ncnc(c1)C 1P001OOH [0,1,0,0,0,1|2,0,0]=4 1641 B8R1.4 Cc1ncnc(c1)Cl 1P0034KF [0,1,0,0,0,1|2,0,0]=4 1642 B8R1.4 Cc1ncnc(c1)I 1P01ALSV [0,1,0,0,0,1|2,0,0]=4 1643 B8R1.4 Cc1ncnc(c1)N 1P00I78P [0,1,0,0,0,1|2,0,0]=4 1644 B8R1.4 Cc1ncnc(c1)O 1P001PCL [0,1,0,0,0,1|1,1,0]=4 1645 B8R1.4 Clc1cc(=O)[nH]nc1 1P003N5G [0,1,0,0,0,1|1,1,0]=4 1646 B8R1.4 Clc1cc[nH]c(=O)n1 1P00G8FV [0,1,0,0,0,1|1,1,0]=4 1647 B8R1.4 Clc1cccc(=O)[nH]1 1P001YRQ [0,1,0,0,0,1|1,1,0]=4 1648 B8R1.4 Clc1cccc(c1)Br 1P00343G [0,1,0,0,0,1|2,0,0]=4 1649 B8R1.4 Clc1cccc(c1)Cl 1P00332A [0,1,0,0,0,1|2,0,0]=4 1650 B8R1.4 Clc1cccc(c1)I 1P0032P0 [0,1,0,0,0,1|2,0,0]=4 1651 B8R1.4 Clc1cccc(n1)Br 1P00D8GQ [0,1,0,0,0,1|2,0,0]=4 1652 B8R1.4 Clc1cccc(n1)Cl 1P0033I1 [0,1,0,0,0,1|2,0,0]=4 1653 B8R1.4 Clc1cccc(n1)I 1P0037YD [0,1,0,0,0,1|2,0,0]=4 1654 B8R1.4 Clc1ccnc(c1)Br 1P002LYR [0,1,0,0,0,1|2,0,0]=4 1655 B8R1.4 Clc1ccnc(c1)C 1P003LKU [0,1,0,0,0,1|2,0,0]=4 1656 B8R1.4 Clc1ccnc(c1)Cl 1P002TQX [0,1,0,0,0,1|2,0,0]=4 1657 B8R1.4 Clc1ccnc(c1)F 1P00BZZP [0,1,0,0,0,1|2,0,0]=4 1658 B8R1.4 Clc1ccnc(c1)I 1P002LYQ [0,1,0,0,0,1|2,0,0]=4 1659 B8R1.4 Clc1ccnc(c1)N 1P002BO7 [0,1,0,0,0,1|2,0,0]=4 1660 B8R1.4 Clc1ccnc(c1)O 1P00397T [0,1,0,0,0,1|1,1,0]=4 1661 B8R1.4 Clc1ccnc(n1)Br 1P0036RF [0,1,0,0,0,1|2,0,0]=4 1662 B8R1.4 Clc1ccnc(n1)C 1P00D9MU [0,1,0,0,0,1|2,0,0]=4 1663 B8R1.4 Clc1ccnc(n1)Cl 1P0033FY [0,1,0,0,0,1|2,0,0]=4 1664 B8R1.4 Clc1ccnc(n1)F 1P00E2DY [0,1,0,0,0,1|2,0,0]=4 1665 B8R1.4 Clc1ccnc(n1)I 1P01FHUV [0,1,0,0,0,1|2,0,0]=4 1666 B8R1.4 Clc1ccnc(n1)N 1P00I8AQ [0,1,0,0,0,1|2,0,0]=4 1667 B8R1.4 Clc1ccoc(=O)c1 1P01ALG0 [0,1,0,0,0,1|0,2,0]=4 1668 B8R1.4 Clc1cncc(=O)[nH]1 1P003HHB [0,1,0,0,0,1|1,1,0]=4 1669 B8R1.4 Clc1cncc(c1)Br 1P003433 [0,1,0,0,0,1|2,0,0]=4 1670 B8R1.4 Clc1cncc(c1)Cl 1P002P2J [0,1,0,0,0,1|2,0,0]=4 1671 B8R1.4 Clc1cncc(c1)I 1P003JQ7 [0,1,0,0,0,1|2,0,0]=4 1672 B8R1.4 Clc1cncc(n1)Br 1P006EX9 [0,1,0,0,0,1|2,0,0]=4 1673 B8R1.4 Clc1cncc(n1)Cl 1P0033I0 [0,1,0,0,0,1|2,0,0]=4 1674 B8R1.4 Clc1cncc(n1)I 1P01DU8C [0,1,0,0,0,1|2,0,0]=4 1675 B8R1.4 Clc1cnnc(c1)Br 1P01UQHM [0,1,0,0,0,1|2,0,0]=4 1676 B8R1.4 Clc1cnnc(c1)C 1P01PAXQ [0,1,0,0,0,1|2,0,0]=4 1677 B8R1.4 Clc1cnnc(c1)Cl 1P0033ZZ [0,1,0,0,0,1|2,0,0]=4 1678 B8R1.4 Clc1cnnc(c1)N 1P000WT2 [0,1,0,0,0,1|2,0,0]=4 1679 B8R1.4 Clc1nccc(=O)[nH]1 1P003A7W [0,1,0,0,0,1|1,1,0]=4 1680 B8R1.4 Clc1ncnc(c1)Cl 1P000IZZ [0,1,0,0,0,1|2,0,0]=4 1681 B8R1.4 Clc1ncnc(c1)I 1P00C1IX [0,1,0,0,0,1|2,0,0]=4 1682 B8R1.4 Fc1cc(=O)[nH]nc1 1P01B7XD [0,1,0,0,0,1|1,1,0]=4 1683 B8R1.4 Fc1cc[nH]c(=O)c1 1P005UC3 [0,1,0,0,0,1|1,1,0]=4 1684 B8R1.4 Fc1cccc(c1)Br 1P00336C [0,1,0,0,0,1|2,0,0]=4 1685 B8R1.4 Fc1cccc(c1)Cl 1P00IKX6 [0,1,0,0,0,1|2,0,0]=4 1686 B8R1.4 Fc1cccc(c1)F 1P00I7T0 [0,1,0,0,0,1|2,0,0]=4 1687 B8R1.4 Fc1cccc(c1)I 1P003384 [0,1,0,0,0,1|2,0,0]=4 1688 B8R1.4 Fc1cccc(c1)S 1P003467 [0,1,0,0,0,1|1,0,0]=3 1689 B8R1.4 Fc1cccc(n1)Br 1P001JEO [0,1,0,0,0,1|2,0,0]=4 1690 B8R1.4 Fc1cccc(n1)Cl 1P002KDX [0,1,0,0,0,1|2,0,0]=4 1691 B8R1.4 Fc1cccc(n1)F 1P001NQB [0,1,0,0,0,1|2,0,0]=4 1692 B8R1.4 Fc1ccnc(c1)Br 1P0033M2 [0,1,0,0,0,1|2,0,0]=4 1693 B8R1.4 Fc1ccnc(c1)C 1P0038X5 [0,1,0,0,0,1|2,0,0]=4 1694 B8R1.4 Fc1ccnc(c1)Cl 1P003HDV [0,1,0,0,0,1|2,0,0]=4 1695 B8R1.4 Fc1ccnc(c1)F 1P00BXW3 [0,1,0,0,0,1|2,0,0]=4 1696 B8R1.4 Fc1ccnc(c1)I 1P01XDP3 [0,1,0,0,0,1|2,0,0]=4 1697 B8R1.4 Fc1ccnc(c1)N 1P003GVZ [0,1,0,0,0,1|2,0,0]=4 1698 B8R1.4 Fc1ccnc(c1)N 1P01B5I0 [0,1,0,0,0,1|2,0,0]=4 1699 B8R1.4 Fc1ccnc(n1)Br 1P0097AB [0,1,0,0,0,1|2,0,0]=4 1700 B8R1.4 Fc1ccnc(n1)Cl 1P00CJAP [0,1,0,0,0,1|2,0,0]=4 1701 B8R1.4 Fc1ccnc(n1)F 1P00BDNZ [0,1,0,0,0,1|2,0,0]=4 1702 B8R1.4 Fc1ccnc(n1)N 1P00IKAG [0,1,0,0,0,1|2,0,0]=4 1703 B8R1.4 Fc1cncc(c1)Br 1P0032QZ [0,1,0,0,0,1|2,0,0]=4 1704 B8R1.4 Fc1cncc(c1)Cl 1P006W8W [0,1,0,0,0,1|2,0,0]=4 1705 B8R1.4 Fc1cncc(c1)F 1P003J3V [0,1,0,0,0,1|2,0,0]=4 1706 B8R1.4 Fc1cncc(c1)I 1P00374U [0,1,0,0,0,1|2,0,0]=4 1707 B8R1.4 Fc1cncc(n1)Br 1P0093B4 [0,1,0,0,0,1|2,0,0]=4 1708 B8R1.4 Fc1cncc(n1)F 1P00CUWH [0,1,0,0,0,1|2,0,0]=4 1709 B8R1.4 Fc1cnnc(c1)Cl 1P028QZF [0,1,0,0,0,1|2,0,0]=4 1710 B8R1.4 Fc1cnnc(c1)F 1P028518 [0,1,0,0,0,1|2,0,0]=4 1711 B8R1.4 Fc1ncnc(c1)Br 1P023PKL [0,1,0,0,0,1|2,0,0]=4 1712 B8R1.4 Fc1ncnc(c1)Cl 1P00DGM1 [0,1,0,0,0,1|2,0,0]=4 1713 B8R1.4 Fc1ncnc(c1)F 1P00C1LC [0,1,0,0,0,1|2,0,0]=4 1714 B8R1.4 Ic1cc(=O)[nH]nc1 1P0038VR [0,1,0,0,0,1|1,1,0]=4 1715 B8R1.4 Ic1cc[nH]c(=O)c1 1P004XC8 [0,1,0,0,0,1|1,1,0]=4 1716 B8R1.4 Ic1cccc(c1)I 1P00332E [0,1,0,0,0,1|2,0,0]=4 1717 B8R1.4 Ic1cccc(n1)I 1P00DA07 [0,1,0,0,0,1|2,0,0]=4 1718 B8R1.4 Ic1ccnc(c1)Br 1P0002PW [0,1,0,0,0,1|2,0,0]=4 1719 B8R1.4 Ic1ccnc(c1)C 1P007PF1 [0,1,0,0,0,1|2,0,0]=4 1720 B8R1.4 Ic1ccnc(c1)Cl 1P0033ON [0,1,0,0,0,1|2,0,0]=4 1721 B8R1.4 Ic1ccnc(c1)F 1P0033RQ [0,1,0,0,0,1|2,0,0]=4 1722 B8R1.4 Ic1ccnc(c1)I 1P0056X9 [0,1,0,0,0,1|2,0,0]=4 1723 B8R1.4 Ic1ccnc(c1)N 1P00DGDV [0,1,0,0,0,1|2,0,0]=4 1724 B8R1.4 Ic1ccnc(n1)Br 1P00HAJK [0,1,0,0,0,1|2,0,0]=4 1725 B8R1.4 Ic1ccnc(n1)C 1P00IDV7 [0,1,0,0,0,1|2,0,0]=4 1726 B8R1.4 Ic1ccnc(n1)Cl 1P00I88J [0,1,0,0,0,1|2,0,0]=4 1727 B8R1.4 Ic1ccnc(n1)F 1P01DZGE [0,1,0,0,0,1|2,0,0]=4 1728 B8R1.4 Ic1ccnc(n1)I 1P002SUH [0,1,0,0,0,1|2,0,0]=4 1729 B8R1.4 Ic1ccnc(n1)N 1P005234 [0,1,0,0,0,1|2,0,0]=4 1730 B8R1.4 Ic1cncc(c1)I 1P00DGOK [0,1,0,0,0,1|2,0,0]=4 1731 B8R1.4 Ic1cncc(n1)I 1P00EA5L [0,1,0,0,0,1|2,0,0]=4 1732 B8R1.4 Ic1cnnc(c1)I 1P01RZ34 [0,1,0,0,0,1|2,0,0]=4 1733 B8R1.4 Ic1ncnc(c1)I 1P00AQN3 [0,1,0,0,0,1|2,0,0]=4 1734 B8R1.4 N=c1cc[nH]c(=N)[nH]1 1P00HYTN [0,1,0,0,0,1|2,0,0]=4 1735 B8R1.4 Nc1cc(=O)[nH]nc1 1P00436N [0,1,0,0,0,1|1,1,0]=4 1736 B8R1.4 Nc1cc[nH]c(=O)c1 1P00I85D [0,1,0,0,0,1|1,1,0]=4 1737 B8R1.4 Nc1cccc(=O)[nH]1 1P003GZ7 [0,1,0,0,0,1|1,1,0]=4 1738 B8R1.4 Nc1cccc(c1)Br 1P0037HY [0,1,0,0,0,1|2,0,0]=4 1739 B8R1.4 Nc1cccc(c1)Cl 1P00344V [0,1,0,0,0,1|2,0,0]=4 1740 B8R1.4 Nc1cccc(c1)Cl 1P003JQY [0,1,0,0,0,1|2,0,0]=4 1741 B8R1.4 Nc1cccc(c1)F 1P0037S5 [0,1,0,0,0,1|2,0,0]=4 1742 B8R1.4 Nc1cccc(c1)I 1P003474 [0,1,0,0,0,1|2,0,0]=4 1743 B8R1.4 Nc1cccc(c1)N 1P003DZB [0,1,0,0,0,1|2,0,0]=4 1744 B8R1.4 Nc1cccc(c1)N 1P003SN0 [0,1,0,0,0,1|2,0,0]=4 1745 B8R1.4 Nc1cccc(c1)N 1P00IN03 [0,1,0,0,0,1|2,0,0]=4 1746 B8R1.4 Nc1cccc(c1)O 1P003JEJ [0,1,0,0,0,1|1,1,0]=4 1747 B8R1.4 Nc1cccc(c1)O 1P003JEK [0,1,0,0,0,1|1,1,0]=4 1748 B8R1.4 Nc1cccc(c1)O 1P00IC9M [0,1,0,0,0,1|1,1,0]=4 1749 B8R1.4 Nc1cccc(c1)S 1P002M3F [0,1,0,0,0,1|1,0,0]=3 1750 B8R1.4 Nc1cccc(n1)Br 1P002BO6 [0,1,0,0,0,1|2,0,0]=4 1751 B8R1.4 Nc1cccc(n1)Cl 1P003GYY [0,1,0,0,0,1|2,0,0]=4 1752 B8R1.4 Nc1cccc(n1)F 1P001RT3 [0,1,0,0,0,1|2,0,0]=4 1753 B8R1.4 Nc1cccc(n1)I 1P0049TH [0,1,0,0,0,1|2,0,0]=4 1754 B8R1.4 Nc1cccc(n1)I 1P0290TM [0,1,0,0,0,1|2,0,0]=4 1755 B8R1.4 Nc1cccc(n1)N 1P001G6V [0,1,0,0,0,1|2,0,0]=4 1756 B8R1.4 Nc1cccc(n1)N 1P007YE7 [0,1,0,0,0,1|2,0,0]=4 1757 B8R1.4 Nc1cccc(n1)O 1P009907 [0,1,0,0,0,1|1,1,0]=4 1758 B8R1.4 Nc1cccc(n1)O 1P00EJ34 [0,1,0,0,0,1|1,1,0]=4 1759 B8R1.4 Nc1ccnc(=O)[nH]1 1P003551 [0,1,0,0,0,1|1,1,0]=4 1760 B8R1.4 Nc1ccnc(c1)Br 1P008PDO [0,1,0,0,0,1|2,0,0]=4 1761 B8R1.4 Nc1ccnc(c1)C 1P003L5H [0,1,0,0,0,1|2,0,0]=4 1762 B8R1.4 Nc1ccnc(c1)Cl 1P001JSL [0,1,0,0,0,1|2,0,0]=4 1763 B8R1.4 Nc1ccnc(c1)F 1P0076RG [0,1,0,0,0,1|2,0,0]=4 1764 B8R1.4 Nc1ccnc(c1)I 1P0049B4 [0,1,0,0,0,1|2,0,0]=4 1765 B8R1.4 Nc1ccnc(c1)N 1P003UIZ [0,1,0,0,0,1|2,0,0]=4 1766 B8R1.4 Nc1ccnc(c1)O 1P00EJV9 [0,1,0,0,0,1|1,1,0]=4 1767 B8R1.4 Nc1ccnc(n1)Br 1P000C3K [0,1,0,0,0,1|2,0,0]=4 1768 B8R1.4 Nc1ccnc(n1)C 1P005AMT [0,1,0,0,0,1|2,0,0]=4 1769 B8R1.4 Nc1ccnc(n1)Cl 1P0034CS [0,1,0,0,0,1|2,0,0]=4 1770 B8R1.4 Nc1ccnc(n1)F 1P006R5D [0,1,0,0,0,1|2,0,0]=4 1771 B8R1.4 Nc1ccnc(n1)S 1P00BYPV [0,1,0,0,0,1|1,0,0]=3 1772 B8R1.4 Nc1cncc(c1)Br 1P003MYS [0,1,0,0,0,1|2,0,0]=4 1773 B8R1.4 Nc1cncc(c1)Cl 1P00BDAV [0,1,0,0,0,1|2,0,0]=4 1774 B8R1.4 Nc1cncc(c1)F 1P002L2C [0,1,0,0,0,1|2,0,0]=4 1775 B8R1.4 Nc1cncc(c1)I 1P003NA0 [0,1,0,0,0,1|2,0,0]=4 1776 B8R1.4 Nc1cncc(c1)N 1P00396A [0,1,0,0,0,1|2,0,0]=4 1777 B8R1.4 Nc1cncc(c1)N 1P01EKHM [0,1,0,0,0,1|2,0,0]=4 1778 B8R1.4 Nc1cncc(c1)N 1P02836T [0,1,0,0,0,1|2,0,0]=4 1779 B8R1.4 Nc1cncc(c1)O 1P00I7HX [0,1,0,0,0,1|1,1,0]=4 1780 B8R1.4 Nc1cncc(n1)Br 1P0037JP [0,1,0,0,0,1|2,0,0]=4 1781 B8R1.4 Nc1cncc(n1)Cl 1P0033PC [0,1,0,0,0,1|2,0,0]=4 1782 B8R1.4 Nc1cncc(n1)F 1P019DIS [0,1,0,0,0,1|2,0,0]=4 1783 B8R1.4 Nc1cncc(n1)N 1P00137A [0,1,0,0,0,1|2,0,0]=4 1784 B8R1.4 Nc1cncc(n1)N 1P0033HL [0,1,0,0,0,1|2,0,0]=4 1785 B8R1.4 Nc1cncc(n1)O 1P009QDG [0,1,0,0,0,1|1,1,0]=4 1786 B8R1.4 Nc1cnnc(c1)Br 1P019GEG [0,1,0,0,0,1|2,0,0]=4 1787 B8R1.4 Nc1cnnc(c1)C 1P01C6ZT [0,1,0,0,0,1|2,0,0]=4 1788 B8R1.4 Nc1cnnc(c1)Cl 1P002VSC [0,1,0,0,0,1|2,0,0]=4 1789 B8R1.4 Nc1cnnc(c1)F 1P028YQV [0,1,0,0,0,1|2,0,0]=4 1790 B8R1.4 Nc1cnnc(c1)I 1P028VLK [0,1,0,0,0,1|2,0,0]=4 1791 B8R1.4 Nc1cnnc(c1)N 1P028087 [0,1,0,0,0,1|2,0,0]=4 1792 B8R1.4 Nc1nc(=O)cc[nH]1 1P003RKF [0,1,0,0,0,1|1,1,0]=4 1793 B8R1.4 Nc1nc[nH]c(=N)c1 1P00G2XU [0,1,0,0,0,1|2,0,0]=4 1794 B8R1.4 Nc1nc[nH]c(=O)c1 1P000IZY [0,1,0,0,0,1|1,1,0]=4 1795 B8R1.4 Nc1ncnc(c1)Br 1P000HR2 [0,1,0,0,0,1|2,0,0]=4 1796 B8R1.4 Nc1ncnc(c1)Cl 1P0034D5 [0,1,0,0,0,1|2,0,0]=4 1797 B8R1.4 Nc1ncnc(c1)F 1P00E2DW [0,1,0,0,0,1|2,0,0]=4 1798 B8R1.4 Nc1ncnc(c1)I 1P00DJJO [0,1,0,0,0,1|2,0,0]=4 1799 B8R1.4 Nc1ncnc(c1)N 1P003KZL [0,1,0,0,0,1|2,0,0]=4 1800 B8R1.4 Nc1ncnc(n1)S 1P00CMEH [0,1,0,0,0,1|2,0,0]=4 1801 B8R1.4 O=C1CC=CC(=O)O1 1P0037LX [0,1,0,0,0,1|0,2,0]=4 1802 B8R1.4 O=C1CC=NC(=C1)Cl 1P00AOZG [0,1,0,0,0,1|1,1,0]=4 1803 B8R1.4 O=C1NC=CC(=O)C1 1P01KKXV [0,1,0,0,0,1|1,1,0]=4 1804 B8R1.4 O=C1OC=CC(=O)C1 1P0038JQ [0,1,0,0,0,1|0,2,0]=4 1805 B8R1.4 O=c1cc[15nH][13c](=O)[15nH]1 1P0023EO [0,1,0,0,0,1|1,1,0]=4 1806 B8R1.4 O=c1cc[nH]c(=O)[nH]1 1P00368Z [0,1,0,0,0,1|1,1,0]=4 1807 B8R1.4 O=c1cc[nH]c(=S)[nH]1 1P001G6U [0,1,0,0,0,1|1,0,1]=4 1808 B8R1.4 O=c1cc[nH]c(=[Se])[nH]1 1P00B386 [0,1,0,0,0,1|1,1,0]=4 1809 B8R1.4 O=c1cc[nH]c(c1)Br 1P00DRAQ [0,1,0,0,0,1|1,1,0]=4 1810 B8R1.4 O=c1ccoc(c1)C 1P00F0CB [0,1,0,0,0,1|1,1,0]=4 1811 B8R1.4 O=c1nc[nH]c(c1)Br 1P0038G2 [0,1,0,0,0,1|1,1,0]=4 1812 B8R1.4 O=c1nc[nH]c(c1)Cl 1P0038AD [0,1,0,0,0,1|1,1,0]=4 1813 B8R1.4 O=c1nc[nH]c(c1)S 1P00IBM4 [0,1,0,0,0,1|1,0,0]=3 1814 B8R1.4 Oc1cc[nH]c(=O)c1 1P00IM7P [0,1,0,0,0,1|1,1,0]=4 1815 B8R1.4 Oc1cccc(=O)[nH]1 1P0038Q5 [0,1,0,0,0,1|1,1,0]=4 1816 B8R1.4 Oc1cccc(c1)Br 1P00343M [0,1,0,0,0,1|1,1,0]=4 1817 B8R1.4 Oc1cccc(c1)Cl 1P0038GE [0,1,0,0,0,1|1,1,0]=4 1818 B8R1.4 Oc1cccc(c1)F 1P00346A [0,1,0,0,0,1|1,1,0]=4 1819 B8R1.4 Oc1cccc(c1)I 1P003K2F [0,1,0,0,0,1|1,1,0]=4 1820 B8R1.4 Oc1cccc(c1)O 1P00332D [0,1,0,0,0,1|1,1,0]=4 1821 B8R1.4 Oc1cccc(c1)S 1P00346Z [0,1,0,0,0,1|1,0,0]=3 1822 B8R1.4 Oc1cccc(n1)Br 1P003H7L [0,1,0,0,0,1|1,1,0]=4 1823 B8R1.4 Oc1cccc(n1)Cl 1P005NIM [0,1,0,0,0,1|1,1,0]=4 1824 B8R1.4 Oc1cccc(n1)F 1P006YCB [0,1,0,0,0,1|1,1,0]=4 1825 B8R1.4 Oc1cccc(n1)I 1P01DED2 [0,1,0,0,0,1|1,1,0]=4 1826 B8R1.4 Oc1cccc(n1)O 1P003GLI [0,1,0,0,0,1|1,1,0]=4 1827 B8R1.4 Oc1ccnc(c1)Br 1P0037ZM [0,1,0,0,0,1|1,1,0]=4 1828 B8R1.4 Oc1ccnc(c1)C 1P0034IL [0,1,0,0,0,1|1,1,0]=4 1829 B8R1.4 Oc1ccnc(c1)Cl 1P001ZK8 [0,1,0,0,0,1|1,1,0]=4 1830 B8R1.4 Oc1ccnc(c1)F 1P007PF0 [0,1,0,0,0,1|1,1,0]=4 1831 B8R1.4 Oc1ccnc(c1)N 1P003GW0 [0,1,0,0,0,1|1,1,0]=4 1832 B8R1.4 Oc1ccnc(c1)N 1P003GW1 [0,1,0,0,0,1|1,1,0]=4 1833 B8R1.4 Oc1ccnc(c1)O 1P003GA0 [0,1,0,0,0,1|1,1,0]=4 1834 B8R1.4 Oc1ccnc(n1)C 1P0062KT [0,1,0,0,0,1|1,1,0]=4 1835 B8R1.4 Oc1ccnc(n1)C 1P01KJLN [0,1,0,0,0,1|1,1,0]=4 1836 B8R1.4 Oc1ccnc(n1)N 1P000310 [0,1,0,0,0,1|1,1,0]=4 1837 B8R1.4 Oc1cncc(c1)Br 1P003436 [0,1,0,0,0,1|1,1,0]=4 1838 B8R1.4 Oc1cncc(c1)Cl 1P003N4S [0,1,0,0,0,1|1,1,0]=4 1839 B8R1.4 Oc1cncc(c1)F 1P002KMO [0,1,0,0,0,1|1,1,0]=4 1840 B8R1.4 Oc1cncc(c1)I 1P00BGNK [0,1,0,0,0,1|1,1,0]=4 1841 B8R1.4 Oc1cncc(c1)O 1P00C79T [0,1,0,0,0,1|1,1,0]=4 1842 B8R1.4 Oc1cncc(n1)Br 1P01DX73 [0,1,0,0,0,1|1,1,0]=4 1843 B8R1.4 Oc1cnnc(c1)Cl 1P001H43 [0,1,0,0,0,1|2,0,0]=4 1844 B8R1.4 Oc1cnnc(c1)O 1P00AMX3 [0,1,0,0,0,1|1,1,0]=4 1845 B8R1.4 Oc1nc[nH]c(=O)c1 1P000IZX [0,1,0,0,0,1|1,1,0]=4 1846 B8R1.4 S=c1cc[nH]c(=O)[nH]1 1P0034M8 [0,1,0,0,0,1|1,0,1]=4 1847 B8R1.4 S=c1cc[nH]c(=S)[nH]1 1P002D01 [0,1,0,0,0,1|1,0,1]=4 1848 B8R1.4 Sc1cc[nH]c(=O)c1 1P0282DR [0,1,0,0,0,1|1,0,0]=3 1849 B8R1.4 Sc1cccc(c1)Br 1P003JM3 [0,1,0,0,0,1|1,0,0]=3 1850 B8R1.4 Sc1cccc(c1)Cl 1P003JSI [0,1,0,0,0,1|1,0,0]=3 1851 B8R1.4 Sc1cccc(c1)I 1P01BL0D [0,1,0,0,0,1|1,0,0]=3 1852 B8R1.4 Sc1cccc(c1)S 1P00331W [0,1,0,0,0,1|1,0,0]=3 1853 B8R1.4 Sc1cncc(c1)Br 1P00DKMY [0,1,0,0,0,1|1,0,0]=3 1854 B8R1.4 Sc1cncc(c1)Br 1P01XDEC [0,1,0,0,0,1|1,0,0]=3 1855 B8R1.4 [O-][n+]1cccc(c1)Br 1P00BDV5 [0,1,0,0,0,1|2,0,0]=4 1856 B8R1.4 [O-][n+]1cccc(c1)C 1P0001YU [0,1,0,0,0,1|2,0,0]=4 1857 B8R1.4 [O-][n+]1cccc(c1)Cl 1P00752K [0,1,0,0,0,1|2,0,0]=4 1858 B8R1.4 [O-][n+]1cccc(c1)F 1P003JYF [0,1,0,0,0,1|2,0,0]=4 1859 B8R1.4 [O-][n+]1cccc(c1)I 1P00KGSS [0,1,0,0,0,1|2,0,0]=4 1860 B8R1.4 [O-][n+]1cccc(c1)N 1P01B7G3 [0,1,0,0,0,1|2,0,0]=4 1861 B8R1.4 [O-][n+]1cccc(c1)O 1P003KCX [0,1,0,0,0,1|1,1,0]=4 1862 B8R1.4 [O-][n+]1ccnc(c1)Cl 1P005PF0 [0,1,0,0,0,1|2,0,0]=4 1863 B8R1.4 [O-]c1ccnc(n1)Cl 1P027ULQ [0,1,0,0,0,1|1,1,0]=4 1864 B8R1.4 [S-]c1ccnc(c1)C 1P01FLFM [0,1,0,0,0,1|1,0,1]=4 1865 B8R1.4 c1([2H])cccc(c1)Br 1P01FG20 [0,1,0,0,0,1|2,0,0]=4 1866 B8R1.5 Brc1cccc[n+]1[O-] 1P002J72 [0,1,0,0,0,1|2,0,0]=4 1867 B8R1.5 Brc1cccc[n+]1[O-] 1P0033NN [0,1,0,0,0,1|2,0,0]=4 1868 B8R1.5 Brc1cccc[n+]1[O-] 1P003H9N [0,1,0,0,0,1|2,0,0]=4 1869 B8R1.5 Brc1ccccc1Br 1P0039HG [0,1,0,0,0,1|2,0,0]=4 1870 B8R1.5 Brc1ccccc1I 1P003364 [0,1,0,0,0,1|2,0,0]=4 1871 B8R1.5 Brc1cccnc1C 1P00342P [0,1,0,0,0,1|2,0,0]=4 1872 B8R1.5 Brc1cccnc1Cl 1P0033O3 [0,1,0,0,0,1|2,0,0]=4 1873 B8R1.5 Brc1cccnc1F 1P00I7MV [0,1,0,0,0,1|2,0,0]=4 1874 B8R1.5 Brc1cccnc1I 1P00BZY8 [0,1,0,0,0,1|2,0,0]=4 1875 B8R1.5 Brc1cccnc1N 1P006ZHT [0,1,0,0,0,1|2,0,0]=4 1876 B8R1.5 Brc1cccnc1O 1P00342L [0,1,0,0,0,1|1,1,0]=4 1877 B8R1.5 Brc1cccnc1S 1P00FGR1 [0,1,0,0,0,1|1,0,0]=3 1878 B8R1.5 Brc1ccncc1I 1P0069LC [0,1,0,0,0,1|2,0,0]=4 1879 B8R1.5 Brc1ccnnc1C 1P028Z3K [0,1,0,0,0,1|2,0,0]=4 1880 B8R1.5 Brc1cnc[nH]c1=O 1P002BR3 [0,1,0,0,0,1|1,1,0]=4 1881 B8R1.5 Brc1cnc[nH]c1=O 1P006DLU [0,1,0,0,0,1|1,1,0]=4 1882 B8R1.5 Brc1cnccc1Br 1P006ZPB [0,1,0,0,0,1|2,0,0]=4 1883 B8R1.5 Brc1cnccc1Br 1P028AT2 [0,1,0,0,0,1|2,0,0]=4 1884 B8R1.5 Brc1cnccc1I 1P0036Q5 [0,1,0,0,0,1|2,0,0]=4 1885 B8R1.5 Brc1cncnc1C 1P007YVW [0,1,0,0,0,1|2,0,0]=4 1886 B8R1.5 Brc1cncnc1Cl 1P00172I [0,1,0,0,0,1|2,0,0]=4 1887 B8R1.5 Brc1cncnc1Cl 1P0037J3 [0,1,0,0,0,1|2,0,0]=4 1888 B8R1.5 Brc1cncnc1F 1P028WZH [0,1,0,0,0,1|2,0,0]=4 1889 B8R1.5 Brc1cncnc1N 1P007YVV [0,1,0,0,0,1|2,0,0]=4 1890 B8R1.5 Brc1ncccc1Br 1P0033E8 [0,1,0,0,0,1|2,0,0]=4 1891 B8R1.5 Brc1nccnc1Br 1P006D3R [0,1,0,0,0,1|2,0,0]=4 1892 B8R1.5 C[n+]1cccnc1N 1P01EX4U [0,1,0,0,0,1|2,0,0]=4 1893 B8R1.5 Cc1cccc[n+]1C 1P008F0C [0,1,0,0,0,1|2,0,0]=4 1894 B8R1.5 Cc1cccc[n+]1N 1P005AF9 [0,1,0,0,0,1|2,0,0]=4 1895 B8R1.5 Cc1cccc[n+]1[O-] 1P0033W7 [0,1,0,0,0,1|2,0,0]=4 1896 B8R1.5 Cc1ccccc1Br 1P0033NP [0,1,0,0,0,1|2,0,0]=4 1897 B8R1.5 Cc1ccccc1Cl 1P0060OI [0,1,0,0,0,1|2,0,0]=4 1898 B8R1.5 Cc1ccccc1F 1P0060O5 [0,1,0,0,0,1|2,0,0]=4 1899 B8R1.5 Cc1ccccc1I 1P003HXP [0,1,0,0,0,1|2,0,0]=4 1900 B8R1.5 Cc1ccccc1N 1P003TYU [0,1,0,0,0,1|2,0,0]=4 1901 B8R1.5 Cc1ccccc1O 1P005GSC [0,1,0,0,0,1|1,1,0]=4 1902 B8R1.5 Cc1ccccc1S 1P001358 [0,1,0,0,0,1|1,0,0]=3 1903 B8R1.5 Cc1cccnc1Br 1P003H3T [0,1,0,0,0,1|2,0,0]=4 1904 B8R1.5 Cc1cccnc1Cl 1P003HCR [0,1,0,0,0,1|2,0,0]=4 1905 B8R1.5 Cc1cccnc1F 1P002OMV [0,1,0,0,0,1|2,0,0]=4 1906 B8R1.5 Cc1cccnc1I 1P006ZIM [0,1,0,0,0,1|2,0,0]=4 1907 B8R1.5 Cc1cccnc1N 1P003GUI [0,1,0,0,0,1|2,0,0]=4 1908 B8R1.5 Cc1cccnc1O 1P006L3K [0,1,0,0,0,1|1,1,0]=4 1909 B8R1.5 Cc1ccn[nH]c1=O 1P00C094 [0,1,0,0,0,1|1,1,0]=4 1910 B8R1.5 Cc1ccncc1Br 1P00342Z [0,1,0,0,0,1|2,0,0]=4 1911 B8R1.5 Cc1ccncc1Cl 1P00344K [0,1,0,0,0,1|2,0,0]=4 1912 B8R1.5 Cc1ccncc1F 1P00I8AH [0,1,0,0,0,1|2,0,0]=4 1913 B8R1.5 Cc1ccncc1I 1P00CHQ4 [0,1,0,0,0,1|2,0,0]=4 1914 B8R1.5 Cc1ccncc1N 1P00341P [0,1,0,0,0,1|2,0,0]=4 1915 B8R1.5 Cc1ccncc1O 1P003K0L [0,1,0,0,0,1|1,1,0]=4 1916 B8R1.5 Cc1ccnnc1Br 1P001H7G [0,1,0,0,0,1|2,0,0]=4 1917 B8R1.5 Cc1ccnnc1Cl 1P005MDO [0,1,0,0,0,1|2,0,0]=4 1918 B8R1.5 Cc1ccnnc1N 1P003JCM [0,1,0,0,0,1|2,0,0]=4 1919 B8R1.5 Cc1cnccc1Br 1P0034EI [0,1,0,0,0,1|2,0,0]=4 1920 B8R1.5 Cc1cnccc1Br 1P00HF33 [0,1,0,0,0,1|2,0,0]=4 1921 B8R1.5 Cc1cnccc1C 1P00E9VT [0,1,0,0,0,1|2,0,0]=4 1922 B8R1.5 Cc1cnccc1Cl 1P001Y9Y [0,1,0,0,0,1|2,0,0]=4 1923 B8R1.5 Cc1cnccc1Cl 1P003LLP [0,1,0,0,0,1|2,0,0]=4 1924 B8R1.5 Cc1cnccc1F 1P002VYO [0,1,0,0,0,1|2,0,0]=4 1925 B8R1.5 Cc1cnccc1I 1P01ELGO [0,1,0,0,0,1|2,0,0]=4 1926 B8R1.5 Cc1cnccc1N 1P002CC8 [0,1,0,0,0,1|2,0,0]=4 1927 B8R1.5 Cc1cnccc1O 1P00347V [0,1,0,0,0,1|1,1,0]=4 1928 B8R1.5 Cc1cncnc1Br 1P000P75 [0,1,0,0,0,1|2,0,0]=4 1929 B8R1.5 Cc1cncnc1Cl 1P00DB4W [0,1,0,0,0,1|2,0,0]=4 1930 B8R1.5 Cc1cncnc1N 1P0037ZT [0,1,0,0,0,1|2,0,0]=4 1931 B8R1.5 Cc1cncnc1O 1P007URT [0,1,0,0,0,1|1,1,0]=4 1932 B8R1.5 Cc1ncccc1C 1P003G1A [0,1,0,0,0,1|2,0,0]=4 1933 B8R1.5 Cc1nccnc1Br 1P003H3S [0,1,0,0,0,1|2,0,0]=4 1934 B8R1.5 Cc1nccnc1C 1P003G19 [0,1,0,0,0,1|2,0,0]=4 1935 B8R1.5 Cc1nccnc1Cl 1P0033O7 [0,1,0,0,0,1|2,0,0]=4 1936 B8R1.5 Cc1nccnc1F 1P028HOG [0,1,0,0,0,1|2,0,0]=4 1937 B8R1.5 Cc1nccnc1I 1P00EGD2 [0,1,0,0,0,1|2,0,0]=4 1938 B8R1.5 Cc1nccnc1N 1P002BXP [0,1,0,0,0,1|2,0,0]=4 1939 B8R1.5 Cc1nccnc1N 1P01FJXT [0,1,0,0,0,1|2,0,0]=4 1940 B8R1.5 Cc1nnccc1C 1P01AMA9 [0,1,0,0,0,1|2,0,0]=4 1941 B8R1.5 Clc1cccc[n+]1C 1P007ZDT [0,1,0,0,0,1|2,0,0]=4 1942 B8R1.5 Clc1cccc[n+]1[O-] 1P00291L [0,1,0,0,0,1|2,0,0]=4 1943 B8R1.5 Clc1cccc[n+]1[O-] 1P0033QB [0,1,0,0,0,1|2,0,0]=4 1944 B8R1.5 Clc1ccccc1Cl 1P00331E [0,1,0,0,0,1|2,0,0]=4 1945 B8R1.5 Clc1ccccc1I 1P00337B [0,1,0,0,0,1|2,0,0]=4 1946 B8R1.5 Clc1cccnc1Br 1P0033LM [0,1,0,0,0,1|2,0,0]=4 1947 B8R1.5 Clc1cccnc1C 1P008RBW [0,1,0,0,0,1|2,0,0]=4 1948 B8R1.5 Clc1cccnc1F 1P003JNM [0,1,0,0,0,1|2,0,0]=4 1949 B8R1.5 Clc1cccnc1I 1P0036XU [0,1,0,0,0,1|2,0,0]=4 1950 B8R1.5 Clc1cccnc1N 1P003GU5 [0,1,0,0,0,1|2,0,0]=4 1951 B8R1.5 Clc1cccnc1O 1P003JS9 [0,1,0,0,0,1|1,1,0]=4 1952 B8R1.5 Clc1cccnc1S 1P00EJOL [0,1,0,0,0,1|1,0,0]=3 1953 B8R1.5 Clc1ccn[nH]c1=O 1P001Y07 [0,1,0,0,0,1|1,1,0]=4 1954 B8R1.5 Clc1ccncc1Br 1P00238J [0,1,0,0,0,1|2,0,0]=4 1955 B8R1.5 Clc1ccncc1Br 1P0038DU [0,1,0,0,0,1|2,0,0]=4 1956 B8R1.5 Clc1ccncc1I 1P003LLL [0,1,0,0,0,1|2,0,0]=4 1957 B8R1.5 Clc1ccncc1I 1P01DMJT [0,1,0,0,0,1|2,0,0]=4 1958 B8R1.5 Clc1ccnnc1C 1P027OIV [0,1,0,0,0,1|2,0,0]=4 1959 B8R1.5 Clc1ccnnc1N 1P01JWN7 [0,1,0,0,0,1|2,0,0]=4 1960 B8R1.5 Clc1cnc[nH]c1=S 1P0288KI [0,1,0,0,0,1|1,0,1]=4 1961 B8R1.5 Clc1cnccc1Br 1P005Z31 [0,1,0,0,0,1|2,0,0]=4 1962 B8R1.5 Clc1cnccc1Cl 1P00DECZ [0,1,0,0,0,1|2,0,0]=4 1963 B8R1.5 Clc1cnccc1I 1P008NQC [0,1,0,0,0,1|2,0,0]=4 1964 B8R1.5 Clc1cncnc1Br 1P000SCL [0,1,0,0,0,1|2,0,0]=4 1965 B8R1.5 Clc1cncnc1C 1P00DF1Z [0,1,0,0,0,1|2,0,0]=4 1966 B8R1.5 Clc1cncnc1N 1P0004JZ [0,1,0,0,0,1|2,0,0]=4 1967 B8R1.5 Clc1cncnc1O 1P00DL92 [0,1,0,0,0,1|1,1,0]=4 1968 B8R1.5 Clc1ncccc1Cl 1P0033ED [0,1,0,0,0,1|2,0,0]=4 1969 B8R1.5 Clc1nccnc1Br 1P0093ET [0,1,0,0,0,1|2,0,0]=4 1970 B8R1.5 Clc1nccnc1Cl 1P003FYH [0,1,0,0,0,1|2,0,0]=4 1971 B8R1.5 Clc1nccnc1I 1P003BCW [0,1,0,0,0,1|2,0,0]=4 1972 B8R1.5 Clc1ncncc1Cl 1P0037HT [0,1,0,0,0,1|2,0,0]=4 1973 B8R1.5 Clc1nnccc1Cl 1P001Y06 [0,1,0,0,0,1|2,0,0]=4 1974 B8R1.5 Cn1cccnc1=S 1P01EXP3 [0,1,0,0,0,1|1,0,1]=4 1975 B8R1.5 FC1=C(C)C=C=C[N]1 1P00BYXD [0,1,0,0,0,1|2,0,0]=4 1976 B8R1.5 Fc1cccc[n+]1C 1P01BDFY [0,1,0,0,0,1|2,0,0]=4 1977 B8R1.5 Fc1ccccc1Br 1P0033N6 [0,1,0,0,0,1|2,0,0]=4 1978 B8R1.5 Fc1ccccc1Cl 1P003A36 [0,1,0,0,0,1|2,0,0]=4 1979 B8R1.5 Fc1ccccc1I 1P003ESK [0,1,0,0,0,1|2,0,0]=4 1980 B8R1.5 Fc1ccccc1S 1P0033SM [0,1,0,0,0,1|1,0,0]=3 1981 B8R1.5 Fc1cccnc1Br 1P0033LP [0,1,0,0,0,1|2,0,0]=4 1982 B8R1.5 Fc1cccnc1C 1P001R2T [0,1,0,0,0,1|2,0,0]=4 1983 B8R1.5 Fc1cccnc1Cl 1P003HC6 [0,1,0,0,0,1|2,0,0]=4 1984 B8R1.5 Fc1cccnc1I 1P001E78 [0,1,0,0,0,1|2,0,0]=4 1985 B8R1.5 Fc1cccnc1N 1P003GU9 [0,1,0,0,0,1|2,0,0]=4 1986 B8R1.5 Fc1cccnc1O 1P003JVS [0,1,0,0,0,1|1,1,0]=4 1987 B8R1.5 Fc1ccncc1Br 1P000DU4 [0,1,0,0,0,1|2,0,0]=4 1988 B8R1.5 Fc1ccncc1Cl 1P00496H [0,1,0,0,0,1|2,0,0]=4 1989 B8R1.5 Fc1cnc[nH]c1=O 1P00377B [0,1,0,0,0,1|1,1,0]=4 1990 B8R1.5 Fc1cnccc1Br 1P000HQI [0,1,0,0,0,1|2,0,0]=4 1991 B8R1.5 Fc1cnccc1Br 1P00387U [0,1,0,0,0,1|2,0,0]=4 1992 B8R1.5 Fc1cnccc1Cl 1P000IW9 [0,1,0,0,0,1|2,0,0]=4 1993 B8R1.5 Fc1cnccc1Cl 1P0034G5 [0,1,0,0,0,1|2,0,0]=4 1994 B8R1.5 Fc1cnccc1F 1P0038VF [0,1,0,0,0,1|2,0,0]=4 1995 B8R1.5 Fc1cnccc1I 1P00345U [0,1,0,0,0,1|2,0,0]=4 1996 B8R1.5 Fc1cnccc1S 1P01DYY6 [0,1,0,0,0,1|1,0,0]=3 1997 B8R1.5 Fc1cncnc1Br 1P000285 [0,1,0,0,0,1|2,0,0]=4 1998 B8R1.5 Fc1cncnc1Cl 1P00BYYI [0,1,0,0,0,1|2,0,0]=4 1999 B8R1.5 Fc1cncnc1I 1P0285JN [0,1,0,0,0,1|2,0,0]=4 2000 B8R1.5 Fc1cncnc1N 1P00370Z [0,1,0,0,0,1|2,0,0]=4 2001 B8R1.5 Fc1ncccc1F 1P001NQA [0,1,0,0,0,1|2,0,0]=4 2002 B8R1.5 Fc1nccnc1Br 1P002IV2 [0,1,0,0,0,1|2,0,0]=4 2003 B8R1.5 Fc1nccnc1Cl 1P0285JV [0,1,0,0,0,1|2,0,0]=4 2004 B8R1.5 Fc1nccnc1F 1P00I9WA [0,1,0,0,0,1|2,0,0]=4 2005 B8R1.5 Fc1nccnc1I 1P00CG68 [0,1,0,0,0,1|2,0,0]=4 2006 B8R1.5 Fc1ncncc1F 1P0292X9 [0,1,0,0,0,1|2,0,0]=4 2007 B8R1.5 Ic1ccccc1I 1P00E950 [0,1,0,0,0,1|2,0,0]=4 2008 B8R1.5 Ic1cccnc1Br 1P002UAK [0,1,0,0,0,1|2,0,0]=4 2009 B8R1.5 Ic1cccnc1C 1P001NKR [0,1,0,0,0,1|2,0,0]=4 2010 B8R1.5 Ic1cccnc1Cl 1P003HCE [0,1,0,0,0,1|2,0,0]=4 2011 B8R1.5 Ic1cccnc1F 1P000AOS [0,1,0,0,0,1|2,0,0]=4 2012 B8R1.5 Ic1cccnc1N 1P003K2I [0,1,0,0,0,1|2,0,0]=4 2013 B8R1.5 Ic1cccnc1O 1P008ZKZ [0,1,0,0,0,1|1,1,0]=4 2014 B8R1.5 Ic1cnccc1I 1P01KLJE [0,1,0,0,0,1|2,0,0]=4 2015 B8R1.5 Ic1cncnc1Br 1P001MPL [0,1,0,0,0,1|2,0,0]=4 2016 B8R1.5 Ic1cncnc1C 1P00H1F1 [0,1,0,0,0,1|2,0,0]=4 2017 B8R1.5 Ic1cncnc1Cl 1P0037F7 [0,1,0,0,0,1|2,0,0]=4 2018 B8R1.5 Ic1cncnc1F 1P027XFL [0,1,0,0,0,1|2,0,0]=4 2019 B8R1.5 Ic1cncnc1N 1P006NO5 [0,1,0,0,0,1|2,0,0]=4 2020 B8R1.5 Ic1cncnc1O 1P00DEV9 [0,1,0,0,0,1|1,1,0]=4 2021 B8R1.5 Ic1ncccc1I 1P003FZY [0,1,0,0,0,1|2,0,0]=4 2022 B8R1.5 Ic1nccnc1I 1P01K2EU [0,1,0,0,0,1|2,0,0]=4 2023 B8R1.5 Nc1cccc[n+]1C 1P005VX6 [0,1,0,0,0,1|2,0,0]=4 2024 B8R1.5 Nc1cccc[n+]1[O-] 1P001GYV [0,1,0,0,0,1|2,0,0]=4 2025 B8R1.5 Nc1ccccc1Br 1P0033MQ [0,1,0,0,0,1|2,0,0]=4 2026 B8R1.5 Nc1ccccc1Br 1P003H80 [0,1,0,0,0,1|2,0,0]=4 2027 B8R1.5 Nc1ccccc1Cl 1P0033PQ [0,1,0,0,0,1|2,0,0]=4 2028 B8R1.5 Nc1ccccc1Cl 1P003HI4 [0,1,0,0,0,1|2,0,0]=4 2029 B8R1.5 Nc1ccccc1F 1P0033SA [0,1,0,0,0,1|2,0,0]=4 2030 B8R1.5 Nc1ccccc1F 1P00DC77 [0,1,0,0,0,1|2,0,0]=4 2031 B8R1.5 Nc1ccccc1I 1P003HXD [0,1,0,0,0,1|2,0,0]=4 2032 B8R1.5 Nc1ccccc1N 1P0035WA [0,1,0,0,0,1|2,0,0]=4 2033 B8R1.5 Nc1ccccc1N 1P003TY8 [0,1,0,0,0,1|2,0,0]=4 2034 B8R1.5 Nc1ccccc1O 1P00FAMG [0,1,0,0,0,1|1,1,0]=4 2035 B8R1.5 Nc1ccccc1O 1P00I9LJ [0,1,0,0,0,1|1,1,0]=4 2036 B8R1.5 Nc1cccnc1Br 1P003JB2 [0,1,0,0,0,1|2,0,0]=4 2037 B8R1.5 Nc1cccnc1C 1P00341I [0,1,0,0,0,1|2,0,0]=4 2038 B8R1.5 Nc1cccnc1Cl 1P003HBX [0,1,0,0,0,1|2,0,0]=4 2039 B8R1.5 Nc1cccnc1F 1P001RT2 [0,1,0,0,0,1|2,0,0]=4 2040 B8R1.5 Nc1cccnc1I 1P002KMR [0,1,0,0,0,1|2,0,0]=4 2041 B8R1.5 Nc1cccnc1O 1P00IB08 [0,1,0,0,0,1|1,1,0]=4 2042 B8R1.5 Nc1cccnc1O 1P01A8IE [0,1,0,0,0,1|1,1,0]=4 2043 B8R1.5 Nc1ccn[nH]c1=O 1P00DGSD [0,1,0,0,0,1|1,1,0]=4 2044 B8R1.5 Nc1ccncc1Br 1P0034CX [0,1,0,0,0,1|2,0,0]=4 2045 B8R1.5 Nc1ccncc1Cl 1P002BO8 [0,1,0,0,0,1|2,0,0]=4 2046 B8R1.5 Nc1ccncc1F 1P003L66 [0,1,0,0,0,1|2,0,0]=4 2047 B8R1.5 Nc1ccncc1I 1P003L6A [0,1,0,0,0,1|2,0,0]=4 2048 B8R1.5 Nc1ccncc1O 1P003AUC [0,1,0,0,0,1|1,1,0]=4 2049 B8R1.5 Nc1ccncc1O 1P003L68 [0,1,0,0,0,1|1,1,0]=4 2050 B8R1.5 Nc1ccncc1O 1P008WTQ [0,1,0,0,0,1|1,1,0]=4 2051 B8R1.5 Nc1ccnnc1C 1P01A5Q6 [0,1,0,0,0,1|2,0,0]=4 2052 B8R1.5 Nc1ccnnc1Cl 1P00DIBS [0,1,0,0,0,1|2,0,0]=4 2053 B8R1.5 Nc1cnc[nH]c1=O 1P0038XW [0,1,0,0,0,1|1,1,0]=4 2054 B8R1.5 Nc1cnccc1Br 1P00I532 [0,1,0,0,0,1|2,0,0]=4 2055 B8R1.5 Nc1cnccc1Cl 1P002ACF [0,1,0,0,0,1|2,0,0]=4 2056 B8R1.5 Nc1cnccc1F 1P01BBYC [0,1,0,0,0,1|2,0,0]=4 2057 B8R1.5 Nc1cnccc1I 1P0038HQ [0,1,0,0,0,1|2,0,0]=4 2058 B8R1.5 Nc1cnccc1N 1P003IW5 [0,1,0,0,0,1|2,0,0]=4 2059 B8R1.5 Nc1cnccc1O 1P00954L [0,1,0,0,0,1|1,1,0]=4 2060 B8R1.5 Nc1cnccc1S 1P00H1LW [0,1,0,0,0,1|1,0,0]=3 2061 B8R1.5 Nc1cncnc1Br 1P0053HJ [0,1,0,0,0,1|2,0,0]=4 2062 B8R1.5 Nc1cncnc1C 1P00C0LQ [0,1,0,0,0,1|2,0,0]=4 2063 B8R1.5 Nc1cncnc1Cl 1P00D9C5 [0,1,0,0,0,1|2,0,0]=4 2064 B8R1.5 Nc1cncnc1I 1P00H1KQ [0,1,0,0,0,1|2,0,0]=4 2065 B8R1.5 Nc1cncnc1O 1P008WYI [0,1,0,0,0,1|1,1,0]=4 2066 B8R1.5 Nc1ncccc1N 1P00396H [0,1,0,0,0,1|2,0,0]=4 2067 B8R1.5 Nc1nccnc1Br 1P007P84 [0,1,0,0,0,1|2,0,0]=4 2068 B8R1.5 Nc1nccnc1Cl 1P003GU4 [0,1,0,0,0,1|2,0,0]=4 2069 B8R1.5 Nc1nccnc1F 1P019DIR [0,1,0,0,0,1|2,0,0]=4 2070 B8R1.5 Nc1nccnc1I 1P007G5N [0,1,0,0,0,1|2,0,0]=4 2071 B8R1.5 Nc1nccnc1N 1P000WG1 [0,1,0,0,0,1|2,0,0]=4 2072 B8R1.5 Nc1ncncc1N 1P001405 [0,1,0,0,0,1|2,0,0]=4 2073 B8R1.5 Nc1ncncc1N 1P01A7IH [0,1,0,0,0,1|2,0,0]=4 2074 B8R1.5 Nc1ncncc1N 1P01FYMI [0,1,0,0,0,1|2,0,0]=4 2075 B8R1.5 O=c1[nH]cc[nH]c1=O 1P00IHXY [0,1,0,0,0,1|1,1,0]=4 2076 B8R1.5 O=c1[nH]cccc1C 1P0001Z2 [0,1,0,0,0,1|1,1,0]=4 2077 B8R1.5 O=c1[nH]cccc1I 1P01FPD4 [0,1,0,0,0,1|1,1,0]=4 2078 B8R1.5 O=c1[nH]cccc1N 1P003AA1 [0,1,0,0,0,1|1,1,0]=4 2079 B8R1.5 O=c1[nH]ccnc1C 1P002BXQ [0,1,0,0,0,1|1,1,0]=4 2080 B8R1.5 O=c1[nH]ccnc1C 1P01BCE2 [0,1,0,0,0,1|1,1,0]=4 2081 B8R1.5 O=c1[nH]ccnc1Cl 1P0096JP [0,1,0,0,0,1|1,1,0]=4 2082 B8R1.5 O=c1[nH]ccnc1N 1P003JEO [0,1,0,0,0,1|1,1,0]=4 2083 B8R1.5 O=c1cc[nH]cc1N 1P00IBMU [0,1,0,0,0,1|1,1,0]=4 2084 B8R1.5 O=c1ccccn1C 1P0032P3 [0,1,0,0,0,1|1,1,0]=4 2085 B8R1.5 O=c1ccccn1O 1P00G61C [0,1,0,0,0,1|1,1,0]=4 2086 B8R1.5 O=c1ccocc1O 1P003K0A [0,1,0,0,0,1|0,2,0]=4 2087 B8R1.5 O=c1occcc1Br 1P002CSI [0,1,0,0,0,1|0,2,0]=4 2088 B8R1.5 O=c1occcc1O 1P0038A5 [0,1,0,0,0,1|0,2,0]=4 2089 B8R1.5 Oc1c[nH]cnc1=O 1P01K5EN [0,1,0,0,0,1|1,1,0]=4 2090 B8R1.5 Oc1cccc[n+]1[O-] 1P000ZZ3 [0,1,0,0,0,1|1,1,0]=4 2091 B8R1.5 Oc1ccccc1Br 1P003A35 [0,1,0,0,0,1|1,1,0]=4 2092 B8R1.5 Oc1ccccc1Cl 1P003HJP [0,1,0,0,0,1|1,1,0]=4 2093 B8R1.5 Oc1ccccc1F 1P003HSS [0,1,0,0,0,1|1,1,0]=4 2094 B8R1.5 Oc1ccccc1O 1P000QI9 [0,1,0,0,0,1|1,1,0]=4 2095 B8R1.5 Oc1ccccc1O 1P01HPCV [0,1,0,0,0,1|1,1,0]=4 2096 B8R1.5 Oc1ccccc1S 1P003HZ2 [0,1,0,0,0,1|1,0,0]=3 2097 B8R1.5 Oc1cccnc1Br 1P0033LQ [0,1,0,0,0,1|1,1,0]=4 2098 B8R1.5 Oc1cccnc1C 1P00346K [0,1,0,0,0,1|1,1,0]=4 2099 B8R1.5 Oc1cccnc1Cl 1P0033O5 [0,1,0,0,0,1|1,1,0]=4 2100 B8R1.5 Oc1cccnc1F 1P0020B6 [0,1,0,0,0,1|1,1,0]=4 2101 B8R1.5 Oc1cccnc1I 1P003HX4 [0,1,0,0,0,1|1,1,0]=4 2102 B8R1.5 Oc1cccnc1N 1P003GUC [0,1,0,0,0,1|1,1,0]=4 2103 B8R1.5 Oc1ccncc1Br 1P003JIN [0,1,0,0,0,1|1,1,0]=4 2104 B8R1.5 Oc1ccncc1Cl 1P003JOW [0,1,0,0,0,1|1,1,0]=4 2105 B8R1.5 Oc1ccncc1F 1P0036K6 [0,1,0,0,0,1|1,1,0]=4 2106 B8R1.5 Oc1ccncc1I 1P003K2J [0,1,0,0,0,1|1,1,0]=4 2107 B8R1.5 Oc1ccnnc1Cl 1P0014KA [0,1,0,0,0,1|2,0,0]=4 2108 B8R1.5 Oc1ccnnc1N 1P002QN4 [0,1,0,0,0,1|2,0,0]=4 2109 B8R1.5 Oc1cnc[nH]c1=N 1P00DIFU [0,1,0,0,0,1|2,0,0]=4 2110 B8R1.5 Oc1cnc[nH]c1=O 1P001QMI [0,1,0,0,0,1|1,1,0]=4 2111 B8R1.5 Oc1cnccc1Br 1P001SX1 [0,1,0,0,0,1|1,1,0]=4 2112 B8R1.5 Oc1cnccc1Cl 1P0034G7 [0,1,0,0,0,1|1,1,0]=4 2113 B8R1.5 Oc1cnccc1I 1P002H4K [0,1,0,0,0,1|1,1,0]=4 2114 B8R1.5 Oc1cnccc1O 1P00063S [0,1,0,0,0,1|1,1,0]=4 2115 B8R1.5 Oc1cncnc1C 1P0004JY [0,1,0,0,0,1|2,0,0]=4 2116 B8R1.5 Oc1ncccc1O 1P0036P2 [0,1,0,0,0,1|1,1,0]=4 2117 B8R1.5 Oc1nccnc1Br 1P009KC7 [0,1,0,0,0,1|1,1,0]=4 2118 B8R1.5 Oc1nccnc1I 1P028MFM [0,1,0,0,0,1|1,1,0]=4 2119 B8R1.5 Oc1nccnc1O 1P01EC4P [0,1,0,0,0,1|1,1,0]=4 2120 B8R1.5 S=C1C=CN=CC1C 1P019DS7 [0,1,0,0,0,1|1,0,1]=4 2121 B8R1.5 S=c1[nH]cccc1C 1P0076M2 [0,1,0,0,0,1|1,0,1]=4 2122 B8R1.5 S=c1[nH]cccc1F 1P01BDFB [0,1,0,0,0,1|1,0,1]=4 2123 B8R1.5 S=c1[nH]cccc1N 1P00C6TQ [0,1,0,0,0,1|1,0,1]=4 2124 B8R1.5 S=c1[nH]cccc1O 1P002MAZ [0,1,0,0,0,1|1,0,1]=4 2125 B8R1.5 S=c1[nH]ccnc1C 1P01GFHU [0,1,0,0,0,1|1,0,1]=4 2126 B8R1.5 S=c1ccccn1O 1P008SNF [0,1,0,0,0,1|1,0,1]=4 2127 B8R1.5 S=c1ccccn1O 1P00HTTH [0,1,0,0,0,1|1,0,1]=4 2128 B8R1.5 S=c1ccccn1[O-] 1P00HYQ0 [0,1,0,0,0,1|1,0,1]=4 2129 B8R1.5 Sc1cccc[n+]1[O-] 1P003IDU [0,1,0,0,0,1|1,0,0]=3 2130 B8R1.5 Sc1ccccc1Br 1P003H9T [0,1,0,0,0,1|1,0,0]=3 2131 B8R1.5 Sc1ccccc1Cl 1P0033QH [0,1,0,0,0,1|1,0,0]=3 2132 B8R1.5 Sc1ccccc1I 1P00CMOS [0,1,0,0,0,1|1,0,0]=3 2133 B8R1.5 Sc1ccccc1S 1P0021E0 [0,1,0,0,0,1|1,0,0]=3 2134 B8R1.5 Sc1ccncc1Br 1P00G47E [0,1,0,0,0,1|1,0,0]=3 2135 B8R1.5 Sc1ccncc1Cl 1P01BIHD [0,1,0,0,0,1|1,0,0]=3 2136 B8R1.5 [O-]c1ccccc1C 1P00E08C [0,1,0,0,0,1|1,1,0]=4 2137 B8R1.5 [S-]c1cccc[n+]1[O-] 1P00I7Z0 [0,1,0,0,0,1|1,0,1]=4 2138 B8R1.1 BrCc1ccc(s1)Br 1P00EE3T [0,2,0,0,0,0|1,0,0]=3 2139 B8R1.1 BrCc1cnc(s1)Br 1P00105F [0,2,0,0,0,0|2,0,0]=4 2140 B8R1.1 BrCc1csc(c1)Br 1P019NB4 [0,2,0,0,0,0|1,0,0]=3 2141 B8R1.1 BrCc1csc(c1)Cl 1P01ANP6 [0,2,0,0,0,0|1,0,0]=3 2142 B8R1.1 BrCc1csc(n1)Br 1P0022LM [0,2,0,0,0,0|2,0,0]=4 2143 B8R1.1 BrCc1ncc(s1)Br 1P01A64K [0,2,0,0,0,0|2,0,0]=4 2144 B8R1.1 BrCc1scc(c1)Br 1P00GAGV [0,2,0,0,0,0|1,0,0]=3 2145 B8R1.1 BrCc1scc(n1)Br 1P02843G [0,2,0,0,0,0|2,0,0]=4 2146 B8R1.1 Brc1cc([nH]c1)C#N 1P0017AF [0,2,0,0,0,0|2,0,0]=4 2147 B8R1.1 Brc1cc([nH]c1)C=O 1P00GWFG [0,2,0,0,0,0|1,1,0]=4 2148 B8R1.1 Brc1cc(oc1)C=O 1P0038MF [0,2,0,0,0,0|0,2,0]=4 2149 B8R1.1 Brc1cc(sc1)C#C 1P006EAL [0,2,0,0,0,0|1,0,0]=3 2150 B8R1.1 Brc1cc(sc1)C#N 1P002H1E [0,2,0,0,0,0|1,0,0]=3 2151 B8R1.1 Brc1cc(sc1)C=O 1P002H1J [0,2,0,0,0,0|0,1,0]=3 2152 B8R1.1 Brc1ccc([nH]1)C#N 1P00CN88 [0,2,0,0,0,0|2,0,0]=4 2153 B8R1.1 Brc1ccc([nH]1)C=O 1P006635 [0,2,0,0,0,0|1,1,0]=4 2154 B8R1.1 Brc1ccc(o1)C#N 1P00DJW7 [0,2,0,0,0,0|1,1,0]=4 2155 B8R1.1 Brc1ccc(o1)C=O 1P002EKQ [0,2,0,0,0,0|0,2,0]=4 2156 B8R1.1 Brc1ccc(s1)C#C 1P00853J [0,2,0,0,0,0|1,0,0]=3 2157 B8R1.1 Brc1ccc(s1)C#N 1P003N1T [0,2,0,0,0,0|1,0,0]=3 2158 B8R1.1 Brc1ccc(s1)C=O 1P0038BE [0,2,0,0,0,0|0,1,0]=3 2159 B8R1.1 Brc1cnc(s1)C#N 1P000Q5K [0,2,0,0,0,0|2,0,0]=4 2160 B8R1.1 Brc1cnc(s1)C=O 1P006GO2 [0,2,0,0,0,0|1,1,0]=4 2161 B8R1.1 Brc1csc(n1)C#C 1P028WGJ [0,2,0,0,0,0|2,0,0]=4 2162 B8R1.1 Brc1csc(n1)C#N 1P0005YI [0,2,0,0,0,0|2,0,0]=4 2163 B8R1.1 Brc1csc(n1)C=O 1P001XSM [0,2,0,0,0,0|1,1,0]=4 2164 B8R1.1 Brc1nc(cs1)C#C 1P01DDP5 [0,2,0,0,0,0|2,0,0]=4 2165 B8R1.1 Brc1nc(cs1)C#N 1P008GP2 [0,2,0,0,0,0|2,0,0]=4 2166 B8R1.1 Brc1nc(cs1)C=O 1P00D8GV [0,2,0,0,0,0|2,0,0]=4 2167 B8R1.1 Brc1ncc(s1)C#N 1P0038BT [0,2,0,0,0,0|2,0,0]=4 2168 B8R1.1 Brc1ncc(s1)C=O 1P00DEFR [0,2,0,0,0,0|1,1,0]=4 2169 B8R1.1 C#Cc1csc(c1)Br 1P028UJD [0,2,0,0,0,0|1,0,0]=3 2170 B8R1.1 CC1=NC=C(C#C)S1 1P01FX4I [0,2,0,0,0,0|2,0,0]=4 2171 B8R1.1 CCc1c[nH]c(n1)S 1P01A0M7 [0,2,0,0,0,0|2,0,0]=4 2172 B8R1.1 CCc1cc(cs1)Br 1P01AOZS [0,2,0,0,0,0|1,0,0]=3 2173 B8R1.1 CCc1ccc(o1)C 1P0039DO [0,2,0,0,0,0|1,1,0]=4 2174 B8R1.1 CCc1ccc(s1)Br 1P00ECEK [0,2,0,0,0,0|1,0,0]=3 2175 B8R1.1 CCc1ccc(s1)C 1P003HNV [0,2,0,0,0,0|1,0,0]=3 2176 B8R1.1 CCc1ccc(s1)O 1P01DXA4 [0,2,0,0,0,0|0,1,0]=3 2177 B8R1.1 CCc1ccc(s1)S 1P01BJP5 [0,2,0,0,0,0|0,0,0]=2 2178 B8R1.1 CCc1cnc(s1)Br 1P00AO2J [0,2,0,0,0,0|2,0,0]=4 2179 B8R1.1 CCc1cnc(s1)Cl 1P00GML7 [0,2,0,0,0,0|2,0,0]=4 2180 B8R1.1 CCc1cnc(s1)N 1P0037QG [0,2,0,0,0,0|2,0,0]=4 2181 B8R1.1 CCc1cnc(s1)N 1P01CD9U [0,2,0,0,0,0|2,0,0]=4 2182 B8R1.1 CCc1csc(=O)[nH]1 1P01ANOJ [0,2,0,0,0,0|1,1,0]=4 2183 B8R1.1 CCc1csc(=S)[nH]1 1P01ACVC [0,2,0,0,0,0|1,0,1]=4 2184 B8R1.1 CCc1csc(c1)C 1P0012TP [0,2,0,0,0,0|1,0,0]=3 2185 B8R1.1 CCc1csc(n1)Br 1P00GUYM [0,2,0,0,0,0|2,0,0]=4 2186 B8R1.1 CCc1csc(n1)Cl 1P00H739 [0,2,0,0,0,0|2,0,0]=4 2187 B8R1.1 CCc1csc(n1)F 1P01BTYJ [0,2,0,0,0,0|2,0,0]=4 2188 B8R1.1 CCc1csc(n1)N 1P00C90S [0,2,0,0,0,0|2,0,0]=4 2189 B8R1.1 CCc1csc(n1)N 1P00J3VY [0,2,0,0,0,0|2,0,0]=4 2190 B8R1.1 CCc1nc(cs1)Br 1P00HFS3 [0,2,0,0,0,0|2,0,0]=4 2191 B8R1.1 CCc1nsc(n1)S 1P019ZJX [0,2,0,0,0,0|2,0,0]=4 2192 B8R1.1 CCc1scc(n1)C 1P001PGP [0,2,0,0,0,0|2,0,0]=4 2193 B8R1.1 CNc1nc(cs1)Br 1P0039U8 [0,2,0,0,0,0|2,0,0]=4 2194 B8R1.1 CNc1ncc(s1)Br 1P01C5SV [0,2,0,0,0,0|2,0,0]=4 2195 B8R1.1 CNc1ncc(s1)C 1P019DQ8 [0,2,0,0,0,0|2,0,0]=4 2196 B8R1.1 CNc1ncc(s1)C 1P01FKWA [0,2,0,0,0,0|2,0,0]=4 2197 B8R1.1 CNc1ncc(s1)Cl 1P01AN5E [0,2,0,0,0,0|2,0,0]=4 2198 B8R1.1 CNc1nnc(s1)S 1P007LLR [0,2,0,0,0,0|2,0,0]=4 2199 B8R1.1 CNc1scc(n1)C 1P007Q89 [0,2,0,0,0,0|2,0,0]=4 2200 B8R1.1 COc1cc(sn1)Br 1P01C22I [0,2,0,0,0,0|2,0,0]=4 2201 B8R1.1 COc1cc(sn1)N 1P01EK5J [0,2,0,0,0,0|2,0,0]=4 2202 B8R1.1 COc1ccc(s1)Br 1P003H6P [0,2,0,0,0,0|0,1,0]=3 2203 B8R1.1 COc1cnc(s1)C 1P00BXUC [0,2,0,0,0,0|1,1,0]=4 2204 B8R1.1 COc1cnc(s1)N 1P00EAWD [0,2,0,0,0,0|1,1,0]=4 2205 B8R1.1 COc1csc(n1)Br 1P01DVG7 [0,2,0,0,0,0|2,0,0]=4 2206 B8R1.1 COc1nc(cs1)Br 1P00C2ED [0,2,0,0,0,0|1,1,0]=4 2207 B8R1.1 COc1nc(cs1)I 1P01BK7C [0,2,0,0,0,0|1,1,0]=4 2208 B8R1.1 COc1ncc(s1)Br 1P00DE93 [0,2,0,0,0,0|1,1,0]=4 2209 B8R1.1 COc1ncc(s1)I 1P01ELXZ [0,2,0,0,0,0|1,1,0]=4 2210 B8R1.1 COc1nnc(s1)S 1P00D3GI [0,2,0,0,0,0|2,0,0]=4 2211 B8R1.1 CSc1cc(n[nH]1)N 1P008ZK0 [0,2,0,0,0,0|2,0,0]=4 2212 B8R1.1 CSc1cnc(s1)N 1P00IKP2 [0,2,0,0,0,0|1,0,0]=3 2213 B8R1.1 CSc1nc(cs1)Br 1P002A0P [0,2,0,0,0,0|1,0,0]=3 2214 B8R1.1 CSc1nc(ns1)Br 1P0077RY [0,2,0,0,0,0|2,0,0]=4 2215 B8R1.1 CSc1nc(ns1)Cl 1P0006DX [0,2,0,0,0,0|2,0,0]=4 2216 B8R1.1 CSc1nc(ns1)N 1P00EE9X [0,2,0,0,0,0|2,0,0]=4 2217 B8R1.1 CSc1nc(ns1)O 1P00EBQR [0,2,0,0,0,0|2,0,0]=4 2218 B8R1.1 CSc1ncc(s1)Br 1P01UOVY [0,2,0,0,0,0|1,0,0]=3 2219 B8R1.1 CSc1nnc(s1)Br 1P005SMA [0,2,0,0,0,0|2,0,0]=4 2220 B8R1.1 CSc1nnc(s1)C 1P00B4W9 [0,2,0,0,0,0|2,0,0]=4 2221 B8R1.1 CSc1nnc(s1)Cl 1P00CMKO [0,2,0,0,0,0|2,0,0]=4 2222 B8R1.1 CSc1nnc(s1)N 1P00I9YG [0,2,0,0,0,0|2,0,0]=4 2223 B8R1.1 CSc1nnc(s1)S 1P003ND9 [0,2,0,0,0,0|2,0,0]=4 2224 B8R1.1 Cc1cc([nH]c1)C=O 1P006Y3A [0,2,0,0,0,0|1,1,0]=4 2225 B8R1.1 Cc1cc(no1)CS 1P01CAMG [0,2,0,0,0,0|2,0,0]=4 2226 B8R1.1 Cc1cc(ns1)CCl 1P0280TX [0,2,0,0,0,0|2,0,0]=4 2227 B8R1.1 Cc1cc(ns1)CO 1P00AO1D [0,2,0,0,0,0|2,0,0]=4 2228 B8R1.1 Cc1cc(oc1)C=O 1P00I6ZP [0,2,0,0,0,0|0,2,0]=4 2229 B8R1.1 Cc1cc(oc1)CO 1P01BUE0 [0,2,0,0,0,0|0,2,0]=4 2230 B8R1.1 Cc1cc(on1)CS 1P02920V [0,2,0,0,0,0|1,1,0]=4 2231 B8R1.1 Cc1cc(sc1)C#N 1P00FEKB [0,2,0,0,0,0|1,0,0]=3 2232 B8R1.1 Cc1cc(sc1)C=O 1P003M9N [0,2,0,0,0,0|0,1,0]=3 2233 B8R1.1 Cc1cc(sc1)CN 1P01C1JY [0,2,0,0,0,0|1,0,0]=3 2234 B8R1.1 Cc1cc(sc1)CO 1P005M4K [0,2,0,0,0,0|0,1,0]=3 2235 B8R1.1 Cc1cc(sn1)C#C 1P028Z8Z [0,2,0,0,0,0|2,0,0]=4 2236 B8R1.1 Cc1cc(sn1)C=O 1P00IFL4 [0,2,0,0,0,0|1,1,0]=4 2237 B8R1.1 Cc1cc(sn1)CCl 1P01BU65 [0,2,0,0,0,0|2,0,0]=4 2238 B8R1.1 Cc1cc(sn1)CN 1P023OR9 [0,2,0,0,0,0|2,0,0]=4 2239 B8R1.1 Cc1cc(sn1)CO 1P01BEOL [0,2,0,0,0,0|1,1,0]=4 2240 B8R1.1 Cc1ccc([nH]1)C#N 1P002SHE [0,2,0,0,0,0|2,0,0]=4 2241 B8R1.1 Cc1ccc([nH]1)C=O 1P000ISW [0,2,0,0,0,0|1,1,0]=4 2242 B8R1.1 Cc1ccc(o1)C#N 1P0070KY [0,2,0,0,0,0|1,1,0]=4 2243 B8R1.1 Cc1ccc(o1)C=C 1P007GDE [0,2,0,0,0,0|1,1,0]=4 2244 B8R1.1 Cc1ccc(o1)C=O 1P003NCN [0,2,0,0,0,0|0,2,0]=4 2245 B8R1.1 Cc1ccc(o1)CN 1P001CFL [0,2,0,0,0,0|1,1,0]=4 2246 B8R1.1 Cc1ccc(o1)CO 1P003NBO [0,2,0,0,0,0|0,2,0]=4 2247 B8R1.1 Cc1ccc(o1)CS 1P00EK7C [0,2,0,0,0,0|0,1,0]=3 2248 B8R1.1 Cc1ccc(s1)C#C 1P0053L5 [0,2,0,0,0,0|1,0,0]=3 2249 B8R1.1 Cc1ccc(s1)C#N 1P006123 [0,2,0,0,0,0|1,0,0]=3 2250 B8R1.1 Cc1ccc(s1)C=O 1P0012UA [0,2,0,0,0,0|0,1,0]=3 2251 B8R1.1 Cc1ccc(s1)CBr 1P028X3V [0,2,0,0,0,0|1,0,0]=3 2252 B8R1.1 Cc1ccc(s1)CN 1P0085BO [0,2,0,0,0,0|1,0,0]=3 2253 B8R1.1 Cc1ccc(s1)CN 1P00AKVE [0,2,0,0,0,0|1,0,0]=3 2254 B8R1.1 Cc1ccc(s1)CO 1P00EGD8 [0,2,0,0,0,0|0,1,0]=3 2255 B8R1.1 Cc1cnc(s1)C#N 1P0002O5 [0,2,0,0,0,0|2,0,0]=4 2256 B8R1.1 Cc1cnc(s1)C=O 1P00196D [0,2,0,0,0,0|1,1,0]=4 2257 B8R1.1 Cc1cnc(s1)CCl 1P00IHHK [0,2,0,0,0,0|2,0,0]=4 2258 B8R1.1 Cc1cnc(s1)CO 1P00290Z [0,2,0,0,0,0|1,1,0]=4 2259 B8R1.1 Cc1csc(n1)C#C 1P00CGB0 [0,2,0,0,0,0|2,0,0]=4 2260 B8R1.1 Cc1csc(n1)C#N 1P0002P4 [0,2,0,0,0,0|2,0,0]=4 2261 B8R1.1 Cc1csc(n1)C=O 1P0013UG [0,2,0,0,0,0|1,1,0]=4 2262 B8R1.1 Cc1csc(n1)CCl 1P006UMP [0,2,0,0,0,0|2,0,0]=4 2263 B8R1.1 Cc1csc(n1)CCl 1P00J206 [0,2,0,0,0,0|2,0,0]=4 2264 B8R1.1 Cc1csc(n1)CN 1P000PRK [0,2,0,0,0,0|2,0,0]=4 2265 B8R1.1 Cc1csc(n1)CN 1P00DBWW [0,2,0,0,0,0|2,0,0]=4 2266 B8R1.1 Cc1csc(n1)CO 1P0013UH [0,2,0,0,0,0|1,1,0]=4 2267 B8R1.1 Cc1csc(n1)CO 1P00J22S [0,2,0,0,0,0|1,1,0]=4 2268 B8R1.1 Cc1csc(n1)NN 1P001J5G [0,2,0,0,0,0|2,0,0]=4 2269 B8R1.1 Cc1nc(cs1)C#C 1P008UQD [0,2,0,0,0,0|2,0,0]=4 2270 B8R1.1 Cc1nc(cs1)C#N 1P006Z27 [0,2,0,0,0,0|2,0,0]=4 2271 B8R1.1 Cc1nc(cs1)C=C 1P01A3RX [0,2,0,0,0,0|2,0,0]=4 2272 B8R1.1 Cc1nc(cs1)C=C 1P01ANVE [0,2,0,0,0,0|2,0,0]=4 2273 B8R1.1 Cc1nc(cs1)C=O 1P002KQ5 [0,2,0,0,0,0|2,0,0]=4 2274 B8R1.1 Cc1nc(cs1)CBr 1P00FFU6 [0,2,0,0,0,0|2,0,0]=4 2275 B8R1.1 Cc1nc(cs1)CCl 1P0053U4 [0,2,0,0,0,0|2,0,0]=4 2276 B8R1.1 Cc1nc(cs1)CCl 1P00BZ6A [0,2,0,0,0,0|2,0,0]=4 2277 B8R1.1 Cc1nc(cs1)CN 1P007GCS [0,2,0,0,0,0|2,0,0]=4 2278 B8R1.1 Cc1nc(cs1)CN 1P00932L [0,2,0,0,0,0|2,0,0]=4 2279 B8R1.1 Cc1nc(cs1)CO 1P008QA9 [0,2,0,0,0,0|2,0,0]=4 2280 B8R1.1 Cc1ncc(o1)CS 1P01C9S1 [0,2,0,0,0,0|1,1,0]=4 2281 B8R1.1 Cc1ncc(s1)C#N 1P00IBZG [0,2,0,0,0,0|2,0,0]=4 2282 B8R1.1 Cc1ncc(s1)C=O 1P0001Z0 [0,2,0,0,0,0|1,1,0]=4 2283 B8R1.1 Cc1ncc(s1)CBr 1P00IDSU [0,2,0,0,0,0|2,0,0]=4 2284 B8R1.1 Cc1ncc(s1)CBr 1P02939Y [0,2,0,0,0,0|2,0,0]=4 2285 B8R1.1 Cc1ncc(s1)CCl 1P00F69F [0,2,0,0,0,0|2,0,0]=4 2286 B8R1.1 Cc1ncc(s1)CCl 1P01BIY6 [0,2,0,0,0,0|2,0,0]=4 2287 B8R1.1 Cc1ncc(s1)CN 1P00ED8F [0,2,0,0,0,0|2,0,0]=4 2288 B8R1.1 Cc1ncc(s1)CN 1P00HBF4 [0,2,0,0,0,0|2,0,0]=4 2289 B8R1.1 Cc1ncc(s1)CO 1P00DJHY [0,2,0,0,0,0|1,1,0]=4 2290 B8R1.1 ClCc1cc(cs1)Br 1P00ACTT [0,2,0,0,0,0|1,0,0]=3 2291 B8R1.1 ClCc1ccc(s1)Br 1P019LJY [0,2,0,0,0,0|1,0,0]=3 2292 B8R1.1 ClCc1ccc(s1)Cl 1P003HF2 [0,2,0,0,0,0|1,0,0]=3 2293 B8R1.1 ClCc1cnc(s1)Cl 1P0033OW [0,2,0,0,0,0|2,0,0]=4 2294 B8R1.1 ClCc1csc(c1)Br 1P019VXY [0,2,0,0,0,0|1,0,0]=3 2295 B8R1.1 ClCc1csc(c1)Cl 1P005JNT [0,2,0,0,0,0|1,0,0]=3 2296 B8R1.1 ClCc1csc(n1)Cl 1P00D8GW [0,2,0,0,0,0|2,0,0]=4 2297 B8R1.1 ClCc1ncc(s1)Br 1P01BFYC [0,2,0,0,0,0|2,0,0]=4 2298 B8R1.1 ClCc1ncc(s1)Cl 1P01A6VP [0,2,0,0,0,0|2,0,0]=4 2299 B8R1.1 ClCc1scc(c1)Cl 1P023S65 [0,2,0,0,0,0|1,0,0]=3 2300 B8R1.1 ClCc1scc(n1)Cl 1P028XL3 [0,2,0,0,0,0|2,0,0]=4 2301 B8R1.1 Clc1cc([nH]c1)C#N 1P00F15T [0,2,0,0,0,0|2,0,0]=4 2302 B8R1.1 Clc1cc(oc1)C=O 1P00IAPN [0,2,0,0,0,0|0,2,0]=4 2303 B8R1.1 Clc1cc(sc1)C#C 1P028WJC [0,2,0,0,0,0|1,0,0]=3 2304 B8R1.1 Clc1cc(sc1)C#N 1P006FHD [0,2,0,0,0,0|1,0,0]=3 2305 B8R1.1 Clc1cc(sc1)C=O 1P00EDRL [0,2,0,0,0,0|0,1,0]=3 2306 B8R1.1 Clc1cc(sc1)CBr 1P01EMCO [0,2,0,0,0,0|1,0,0]=3 2307 B8R1.1 Clc1ccc([nH]1)C=O 1P0021LN [0,2,0,0,0,0|1,1,0]=4 2308 B8R1.1 Clc1ccc(o1)C#N 1P01A4E1 [0,2,0,0,0,0|1,1,0]=4 2309 B8R1.1 Clc1ccc(o1)C=O 1P003N3F [0,2,0,0,0,0|0,2,0]=4 2310 B8R1.1 Clc1ccc(s1)C#C 1P001CB3 [0,2,0,0,0,0|1,0,0]=3 2311 B8R1.1 Clc1ccc(s1)C#N 1P00DBVU [0,2,0,0,0,0|1,0,0]=3 2312 B8R1.1 Clc1ccc(s1)C=O 1P0034Q0 [0,2,0,0,0,0|0,1,0]=3 2313 B8R1.1 Clc1ccc(s1)CBr 1P019RZ1 [0,2,0,0,0,0|1,0,0]=3 2314 B8R1.1 Clc1cnc(s1)C#C 1P0290XE [0,2,0,0,0,0|2,0,0]=4 2315 B8R1.1 Clc1cnc(s1)C=O 1P0034PY [0,2,0,0,0,0|1,1,0]=4 2316 B8R1.1 Clc1cnc(s1)CBr 1P027XOR [0,2,0,0,0,0|2,0,0]=4 2317 B8R1.1 Clc1csc(n1)C#C 1P028FBN [0,2,0,0,0,0|2,0,0]=4 2318 B8R1.1 Clc1csc(n1)C#N 1P001275 [0,2,0,0,0,0|2,0,0]=4 2319 B8R1.1 Clc1csc(n1)C=O 1P00E75U [0,2,0,0,0,0|1,1,0]=4 2320 B8R1.1 Clc1nc(cs1)C#N 1P005XZ2 [0,2,0,0,0,0|2,0,0]=4 2321 B8R1.1 Clc1nc(cs1)C=O 1P00D8GO [0,2,0,0,0,0|2,0,0]=4 2322 B8R1.1 Clc1ncc(s1)C#C 1P01C64M [0,2,0,0,0,0|2,0,0]=4 2323 B8R1.1 Clc1ncc(s1)C#N 1P003HKB [0,2,0,0,0,0|2,0,0]=4 2324 B8R1.1 Clc1ncc(s1)C=O 1P0033QG [0,2,0,0,0,0|1,1,0]=4 2325 B8R1.1 Clc1ncc(s1)CBr 1P002LBR [0,2,0,0,0,0|2,0,0]=4 2326 B8R1.1 Cn1ccc(n1)CS 1P0289RD [0,2,0,0,0,0|2,0,0]=4 2327 B8R1.1 Fc1ccc(o1)C#N 1P028WO5 [0,2,0,0,0,0|1,1,0]=4 2328 B8R1.1 Fc1ccc(s1)C#N 1P00CJ8O [0,2,0,0,0,0|1,0,0]=3 2329 B8R1.1 Fc1ccc(s1)C=O 1P002ZHS [0,2,0,0,0,0|0,1,0]=3 2330 B8R1.1 Ic1cc([nH]c1)C#N 1P004GXP [0,2,0,0,0,0|2,0,0]=4 2331 B8R1.1 Ic1cc([nH]c1)C=O 1P00C71D [0,2,0,0,0,0|1,1,0]=4 2332 B8R1.1 Ic1cc(sc1)C=O 1P002H72 [0,2,0,0,0,0|0,1,0]=3 2333 B8R1.1 Ic1ccc(o1)C=O 1P003N9Z [0,2,0,0,0,0|0,2,0]=4 2334 B8R1.1 Ic1ccc(s1)C#N 1P002E5O [0,2,0,0,0,0|1,0,0]=3 2335 B8R1.1 Ic1cnc(s1)C=O 1P01BB5T [0,2,0,0,0,0|1,1,0]=4 2336 B8R1.1 N#Cc1coc(c1)Br 1P023SDJ [0,2,0,0,0,0|1,1,0]=4 2337 B8R1.1 N#Cc1csc(c1)Br 1P002H1D [0,2,0,0,0,0|1,0,0]=3 2338 B8R1.1 N#Cc1csc(c1)Cl 1P00956C [0,2,0,0,0,0|1,0,0]=3 2339 B8R1.1 NCc1cc(=O)[nH]s1 1P00EF01 [0,2,0,0,0,0|2,0,0]=4 2340 B8R1.1 NCc1cc(c[nH]1)Br 1P019TPI [0,2,0,0,0,0|2,0,0]=4 2341 B8R1.1 NCc1cc(co1)Br 1P01KKNK [0,2,0,0,0,0|1,1,0]=4 2342 B8R1.1 NCc1cc(co1)Br 1P028RHQ [0,2,0,0,0,0|1,1,0]=4 2343 B8R1.1 NCc1cc(cs1)Br 1P000EAH [0,2,0,0,0,0|1,0,0]=3 2344 B8R1.1 NCc1cc(cs1)Br 1P00DEUQ [0,2,0,0,0,0|1,0,0]=3 2345 B8R1.1 NCc1cc(cs1)Cl 1P00C1R1 [0,2,0,0,0,0|1,0,0]=3 2346 B8R1.1 NCc1cc(cs1)F 1P028FQL [0,2,0,0,0,0|1,0,0]=3 2347 B8R1.1 NCc1cc(cs1)I 1P028BGB [0,2,0,0,0,0|1,0,0]=3 2348 B8R1.1 NCc1cc(sn1)Br 1P027U8V [0,2,0,0,0,0|2,0,0]=4 2349 B8R1.1 NCc1ccc(o1)Br 1P002T5R [0,2,0,0,0,0|1,1,0]=4 2350 B8R1.1 NCc1ccc(o1)Br 1P01AGAI [0,2,0,0,0,0|1,1,0]=4 2351 B8R1.1 NCc1ccc(o1)Cl 1P00BSTO [0,2,0,0,0,0|1,1,0]=4 2352 B8R1.1 NCc1ccc(s1)Br 1P0001JY [0,2,0,0,0,0|1,0,0]=3 2353 B8R1.1 NCc1ccc(s1)Br 1P00ECLH [0,2,0,0,0,0|1,0,0]=3 2354 B8R1.1 NCc1ccc(s1)Cl 1P007QUC [0,2,0,0,0,0|1,0,0]=3 2355 B8R1.1 NCc1ccc(s1)Cl 1P00DFJL [0,2,0,0,0,0|1,0,0]=3 2356 B8R1.1 NCc1ccc(s1)F 1P00CGEU [0,2,0,0,0,0|1,0,0]=3 2357 B8R1.1 NCc1ccc(s1)I 1P028DJT [0,2,0,0,0,0|1,0,0]=3 2358 B8R1.1 NCc1cnc(s1)Br 1P0001K3 [0,2,0,0,0,0|2,0,0]=4 2359 B8R1.1 NCc1cnc(s1)Br 1P00105E [0,2,0,0,0,0|2,0,0]=4 2360 B8R1.1 NCc1cnc(s1)Br 1P01B9CA [0,2,0,0,0,0|2,0,0]=4 2361 B8R1.1 NCc1cnc(s1)Cl 1P0036LR [0,2,0,0,0,0|2,0,0]=4 2362 B8R1.1 NCc1cnc(s1)Cl 1P00AKVT [0,2,0,0,0,0|2,0,0]=4 2363 B8R1.1 NCc1cnc(s1)N 1P01EKLE [0,2,0,0,0,0|2,0,0]=4 2364 B8R1.1 NCc1coc(c1)C 1P01E7IU [0,2,0,0,0,0|1,1,0]=4 2365 B8R1.1 NCc1csc(=O)[nH]1 1P01A0VR [0,2,0,0,0,0|1,1,0]=4 2366 B8R1.1 NCc1csc(c1)Br 1P0091TL [0,2,0,0,0,0|1,0,0]=3 2367 B8R1.1 NCc1csc(c1)Br 1P01A838 [0,2,0,0,0,0|1,0,0]=3 2368 B8R1.1 NCc1csc(c1)C 1P01APJ1 [0,2,0,0,0,0|1,0,0]=3 2369 B8R1.1 NCc1csc(c1)Cl 1P0099TB [0,2,0,0,0,0|1,0,0]=3 2370 B8R1.1 NCc1csc(n1)Br 1P027TAK [0,2,0,0,0,0|2,0,0]=4 2371 B8R1.1 NCc1csc(n1)C 1P00932M [0,2,0,0,0,0|2,0,0]=4 2372 B8R1.1 NCc1csc(n1)Cl 1P01K1JR [0,2,0,0,0,0|2,0,0]=4 2373 B8R1.1 NCc1csc(n1)N 1P00J1OY [0,2,0,0,0,0|2,0,0]=4 2374 B8R1.1 NCc1nc(cs1)Br 1P00FCIU [0,2,0,0,0,0|2,0,0]=4 2375 B8R1.1 NCc1nc(cs1)Br 1P00HG5X [0,2,0,0,0,0|2,0,0]=4 2376 B8R1.1 NCc1nc(cs1)Cl 1P023ODU [0,2,0,0,0,0|2,0,0]=4 2377 B8R1.1 NCc1ncc(s1)Br 1P001GXO [0,2,0,0,0,0|2,0,0]=4 2378 B8R1.1 NCc1ncc(s1)C 1P003FFM [0,2,0,0,0,0|2,0,0]=4 2379 B8R1.1 NCc1ncc(s1)Cl 1P00932P [0,2,0,0,0,0|2,0,0]=4 2380 B8R1.1 NCc1ncc(s1)Cl 1P00932Q [0,2,0,0,0,0|2,0,0]=4 2381 B8R1.1 NCc1ncc(s1)I 1P02806H [0,2,0,0,0,0|2,0,0]=4 2382 B8R1.1 NCc1nnc(s1)S 1P028RV5 [0,2,0,0,0,0|2,0,0]=4 2383 B8R1.1 NCc1scc(n1)Br 1P0282HW [0,2,0,0,0,0|2,0,0]=4 2384 B8R1.1 NCc1scc(n1)C 1P00J3IM [0,2,0,0,0,0|2,0,0]=4 2385 B8R1.1 NCc1snc(c1)O 1P027VX8 [0,2,0,0,0,0|2,0,0]=4 2386 B8R1.1 NNc1cnc(s1)C 1P028I3Q [0,2,0,0,0,0|2,0,0]=4 2387 B8R1.1 Nc1cc(sc1)C#N 1P00ICWL [0,2,0,0,0,0|1,0,0]=3 2388 B8R1.1 Nc1ccc(s1)C#N 1P00DIFY [0,2,0,0,0,0|1,0,0]=3 2389 B8R1.1 Nc1nc(cs1)C#N 1P00H736 [0,2,0,0,0,0|2,0,0]=4 2390 B8R1.1 Nc1nc(cs1)C=C 1P01AM31 [0,2,0,0,0,0|2,0,0]=4 2391 B8R1.1 Nc1nc(cs1)C=O 1P005X7P [0,2,0,0,0,0|2,0,0]=4 2392 B8R1.1 Nc1nc(cs1)CCl 1P00EA56 [0,2,0,0,0,0|2,0,0]=4 2393 B8R1.1 Nc1nc(cs1)CCl 1P00FBF3 [0,2,0,0,0,0|2,0,0]=4 2394 B8R1.1 Nc1nc(cs1)CF 1P01BKUC [0,2,0,0,0,0|2,0,0]=4 2395 B8R1.1 Nc1nc(cs1)CO 1P00DEM1 [0,2,0,0,0,0|2,0,0]=4 2396 B8R1.1 Nc1nc(cs1)CO 1P01BBKH [0,2,0,0,0,0|2,0,0]=4 2397 B8R1.1 Nc1ncc(s1)C#N 1P00DASH [0,2,0,0,0,0|2,0,0]=4 2398 B8R1.1 Nc1ncc(s1)C=O 1P0001YZ [0,2,0,0,0,0|1,1,0]=4 2399 B8R1.1 Nc1ncc(s1)C=O 1P006F62 [0,2,0,0,0,0|1,1,0]=4 2400 B8R1.1 Nc1ncc(s1)CO 1P000W4R [0,2,0,0,0,0|1,1,0]=4 2401 B8R1.1 O=CC1=COC(Br)=C1 1P01K6BU [0,2,0,0,0,0|1,1,0]=4 2402 B8R1.1 O=Cc1c[nH]c(c1)Br 1P0039ZR [0,2,0,0,0,0|2,0,0]=4 2403 B8R1.1 O=Cc1csc(c1)Br 1P002H1H [0,2,0,0,0,0|1,0,0]=3 2404 B8R1.1 O=Cc1csc(c1)C 1P002YT8 [0,2,0,0,0,0|1,0,0]=3 2405 B8R1.1 O=Cc1csc(c1)Cl 1P00CLCR [0,2,0,0,0,0|1,0,0]=3 2406 B8R1.1 OCc1cc(co1)Cl 1P01EMTV [0,2,0,0,0,0|0,2,0]=4 2407 B8R1.1 OCc1cc(cs1)Br 1P003CBD [0,2,0,0,0,0|0,1,0]=3 2408 B8R1.1 OCc1cc(cs1)Cl 1P002NC1 [0,2,0,0,0,0|0,1,0]=3 2409 B8R1.1 OCc1ccc(o1)Br 1P00BGK4 [0,2,0,0,0,0|0,2,0]=4 2410 B8R1.1 OCc1ccc(s1)Br 1P0052HU [0,2,0,0,0,0|0,1,0]=3 2411 B8R1.1 OCc1ccc(s1)Cl 1P00FB5R [0,2,0,0,0,0|0,1,0]=3 2412 B8R1.1 OCc1ccc(s1)F 1P008JHJ [0,2,0,0,0,0|0,1,0]=3 2413 B8R1.1 OCc1cnc(s1)Br 1P006HSF [0,2,0,0,0,0|1,1,0]=4 2414 B8R1.1 OCc1cnc(s1)Cl 1P001KY7 [0,2,0,0,0,0|1,1,0]=4 2415 B8R1.1 OCc1coc(c1)C 1P01ACSN [0,2,0,0,0,0|1,1,0]=4 2416 B8R1.1 OCc1csc(c1)Br 1P00ICX6 [0,2,0,0,0,0|1,0,0]=3 2417 B8R1.1 OCc1csc(c1)C 1P00CG87 [0,2,0,0,0,0|1,0,0]=3 2418 B8R1.1 OCc1csc(c1)Cl 1P005B17 [0,2,0,0,0,0|1,0,0]=3 2419 B8R1.1 OCc1csc(n1)Br 1P00DEFQ [0,2,0,0,0,0|2,0,0]=4 2420 B8R1.1 OCc1csc(n1)Br 1P00J2FF [0,2,0,0,0,0|2,0,0]=4 2421 B8R1.1 OCc1csc(n1)Cl 1P00DJHX [0,2,0,0,0,0|2,0,0]=4 2422 B8R1.1 OCc1csc(n1)F 1P00B931 [0,2,0,0,0,0|2,0,0]=4 2423 B8R1.1 OCc1nc(cs1)Br 1P002A0S [0,2,0,0,0,0|1,1,0]=4 2424 B8R1.1 OCc1ncc(s1)Br 1P00H1FC [0,2,0,0,0,0|1,1,0]=4 2425 B8R1.1 OCc1ncc(s1)Cl 1P00I9IK [0,2,0,0,0,0|1,1,0]=4 2426 B8R1.1 Oc1ncc(s1)C=O 1P01BF4T [0,2,0,0,0,0|1,1,0]=4 2427 B8R1.1 SCc1cc(cs1)Br 1P0280AT [0,2,0,0,0,0|0,0,0]=2 2428 B8R1.1 SCc1cc(no1)Br 1P028ZLF [0,2,0,0,0,0|1,1,0]=4 2429 B8R1.1 SCc1ccc(o1)Cl 1P01EJ9A [0,2,0,0,0,0|0,1,0]=3 2430 B8R1.1 SCc1ccc(s1)Br 1P0280GR [0,2,0,0,0,0|0,0,0]=2 2431 B8R1.1 SCc1ccc(s1)Cl 1P01IYEN [0,2,0,0,0,0|0,0,0]=2 2432 B8R1.1 SCc1cnc(s1)Cl 1P01FFB6 [0,2,0,0,0,0|1,0,0]=3 2433 B8R1.1 SCc1csc(c1)C 1P0291R6 [0,2,0,0,0,0|1,0,0]=3 2434 B8R1.7 CC(=C)c1ccco1 1P01DDLR [0,2,0,0,0,0|1,1,0]=4 2435 B8R1.7 CC(=C1C=CC=C1)O 1P006CQI [0,2,0,0,0,0|1,1,0]=4 2436 B8R1.7 CC(=O)c1ccc[nH]1 1P003GRE [0,2,0,0,0,0|1,1,0]=4 2437 B8R1.7 CC(=O)c1ccco1 1P000IT2 [0,2,0,0,0,0|0,2,0]=4 2438 B8R1.7 CC(=O)c1cccs1 1P0035MZ [0,2,0,0,0,0|0,1,0]=3 2439 B8R1.7 CC(=O)c1ccns1 1P00C067 [0,2,0,0,0,0|1,1,0]=4 2440 B8R1.7 CC(=O)c1cncs1 1P00GT31 [0,2,0,0,0,0|1,1,0]=4 2441 B8R1.7 CC(=O)c1nccs1 1P003D8V [0,2,0,0,0,0|1,1,0]=4 2442 B8R1.7 CC(c1ccc[nH]1)N 1P01A3OU [0,2,0,0,0,0|2,0,0]=4 2443 B8R1.7 CC(c1ccco1)C 1P003HYG [0,2,0,0,0,0|1,1,0]=4 2444 B8R1.7 CC(c1ccco1)N 1P00BDMZ [0,2,0,0,0,0|1,1,0]=4 2445 B8R1.7 CC(c1ccco1)N 1P019N05 [0,2,0,0,0,0|1,1,0]=4 2446 B8R1.7 CC(c1ccco1)O 1P00I8MZ [0,2,0,0,0,0|0,2,0]=4 2447 B8R1.7 CC(c1ccco1)S 1P01A8IC [0,2,0,0,0,0|0,1,0]=3 2448 B8R1.7 CC(c1cccs1)N 1P0032QU [0,2,0,0,0,0|1,0,0]=3 2449 B8R1.7 CC(c1cccs1)N 1P00ATK3 [0,2,0,0,0,0|1,0,0]=3 2450 B8R1.7 CC(c1cccs1)O 1P002MMU [0,2,0,0,0,0|0,1,0]=3 2451 B8R1.7 CC(c1cccs1)S 1P01AKH2 [0,2,0,0,0,0|0,0,0]=2 2452 B8R1.7 CC(c1ccns1)N 1P01BY3O [0,2,0,0,0,0|2,0,0]=4 2453 B8R1.7 CC(c1ccns1)N 1P01BY4V [0,2,0,0,0,0|2,0,0]=4 2454 B8R1.7 CC(c1cncs1)N 1P0099H5 [0,2,0,0,0,0|2,0,0]=4 2455 B8R1.7 CC(c1cncs1)N 1P01EII7 [0,2,0,0,0,0|2,0,0]=4 2456 B8R1.7 CC(c1cncs1)O 1P00D74H [0,2,0,0,0,0|1,1,0]=4 2457 B8R1.7 CC(c1cocc1)S 1P0291JO [0,2,0,0,0,0|2,0,0]=4 2458 B8R1.7 CC(c1nccs1)Br 1P01A5LH [0,2,0,0,0,0|2,0,0]=4 2459 B8R1.7 CC(c1nccs1)Br 1P01DWD9 [0,2,0,0,0,0|2,0,0]=4 2460 B8R1.7 CC(c1nccs1)Cl 1P00CJVM [0,2,0,0,0,0|2,0,0]=4 2461 B8R1.7 CC(c1nccs1)N 1P003DCD [0,2,0,0,0,0|2,0,0]=4 2462 B8R1.7 CC(c1nccs1)N 1P003DCE [0,2,0,0,0,0|2,0,0]=4 2463 B8R1.7 CC(c1nccs1)O 1P00CJVD [0,2,0,0,0,0|1,1,0]=4 2464 B8R1.7 CC(c1scnc1)C 1P001WUZ [0,2,0,0,0,0|2,0,0]=4 2465 B8R1.7 CC(c1scnc1)N 1P024UN9 [0,2,0,0,0,0|2,0,0]=4 2466 B8R1.7 CN(c1nccs1)C 1P00ELP1 [0,2,0,0,0,0|2,0,0]=4 2467 B8R1.7 C[C@@H](c1ccco1)O 1P0079X7 [0,2,0,0,0,0|0,2,0]=4 2468 B8R1.7 C[C@@H](c1cccs1)N 1P000V48 [0,2,0,0,0,0|1,0,0]=3 2469 B8R1.7 C[C@@H](c1cccs1)N 1P00BJRY [0,2,0,0,0,0|1,0,0]=3 2470 B8R1.7 C[C@@H](c1cccs1)O 1P00BC2M [0,2,0,0,0,0|0,1,0]=3 2471 B8R1.7 C[C@@H](c1ccns1)O 1P027Z4B [0,2,0,0,0,0|1,1,0]=4 2472 B8R1.7 C[C@@H](c1cncs1)O 1P01A5H7 [0,2,0,0,0,0|1,1,0]=4 2473 B8R1.7 C[C@@H](c1cncs1)O 1P01AJLF [0,2,0,0,0,0|1,1,0]=4 2474 B8R1.7 C[C@@H](c1nccs1)N 1P01KKJR [0,2,0,0,0,0|2,0,0]=4 2475 B8R1.7 C[C@@H](c1nccs1)O 1P009TDD [0,2,0,0,0,0|1,1,0]=4 2476 B8R1.7 C[C@@H](c1scnc1)N 1P01AGG1 [0,2,0,0,0,0|2,0,0]=4 2477 B8R1.7 C[C@H](c1ccco1)N 1P01JV6O [0,2,0,0,0,0|1,1,0]=4 2478 B8R1.7 C[C@H](c1ccco1)O 1P00IN2M [0,2,0,0,0,0|0,2,0]=4 2479 B8R1.7 C[C@H](c1cccs1)N 1P00BJSF [0,2,0,0,0,0|1,0,0]=3 2480 B8R1.7 C[C@H](c1cccs1)N 1P01JV6J [0,2,0,0,0,0|1,0,0]=3 2481 B8R1.7 C[C@H](c1cccs1)O 1P003BWH [0,2,0,0,0,0|0,1,0]=3 2482 B8R1.7 C[C@H](c1ccns1)O 1P027YNI [0,2,0,0,0,0|1,1,0]=4 2483 B8R1.7 C[C@H](c1cncs1)O 1P01AJLG [0,2,0,0,0,0|1,1,0]=4 2484 B8R1.7 C[C@H](c1nccs1)N 1P00IN44 [0,2,0,0,0,0|2,0,0]=4 2485 B8R1.7 C[C@H](c1nccs1)O 1P00A93S [0,2,0,0,0,0|1,1,0]=4 2486 B8R1.7 C[C@H](c1scnc1)N 1P01A5OR [0,2,0,0,0,0|2,0,0]=4 2487 B8R1.7 ClC(=O)c1ccc[nH]1 1P01I097 [0,2,0,0,0,0|1,1,0]=4 2488 B8R1.7 ClC(=O)c1cccs1 1P003BQI [0,2,0,0,0,0|0,1,0]=3 2489 B8R1.7 ClC(=O)c1ccns1 1P0078D4 [0,2,0,0,0,0|1,1,0]=4 2490 B8R1.7 ClC(=O)c1cncs1 1P01BDDL [0,2,0,0,0,0|1,1,0]=4 2491 B8R1.7 FC(c1nccs1)F 1P01FLBR [0,2,0,0,0,0|2,0,0]=4 2492 B8R1.7 NC(=N)c1ccc[nH]1 1P0284JU [0,2,0,0,0,0|2,0,0]=4 2493 B8R1.7 NC(=N)c1ccco1 1P00D99M [0,2,0,0,0,0|1,1,0]=4 2494 B8R1.7 NC(=N)c1cccs1 1P00D9DQ [0,2,0,0,0,0|1,0,0]=3 2495 B8R1.7 NC(=N)c1cncs1 1P01BFO7 [0,2,0,0,0,0|2,0,0]=4 2496 B8R1.7 NC(=N)c1nccs1 1P002PJP [0,2,0,0,0,0|2,0,0]=4 2497 B8R1.7 NC(=O)c1ccc[nH]1 1P00DASS [0,2,0,0,0,0|1,1,0]=4 2498 B8R1.7 NC(=O)c1ccco1 1P003HT3 [0,2,0,0,0,0|0,2,0]=4 2499 B8R1.7 NC(=O)c1cncs1 1P008QNN [0,2,0,0,0,0|1,1,0]=4 2500 B8R1.7 NC(=O)c1nccs1 1P001XS6 [0,2,0,0,0,0|1,1,0]=4 2501 B8R1.7 NC(=S)c1ccc[nH]1 1P00I7UK [0,2,0,0,0,0|1,0,1]=4 2502 B8R1.7 NC(=S)c1ccco1 1P0021LD [0,2,0,0,0,0|0,1,1]=4 2503 B8R1.7 NC(=S)c1cccs1 1P00293Y [0,2,0,0,0,0|0,0,1]=3 2504 B8R1.7 NC(=S)c1cncs1 1P00BZE4 [0,2,0,0,0,0|1,0,1]=4 2505 B8R1.7 NC(=S)c1nccs1 1P00EAFR [0,2,0,0,0,0|1,0,1]=4 2506 B8R1.7 NS(=O)c1ccco1 1P027UN7 [0,2,0,0,0,0|0,1,1]=4 2507 B8R1.7 OB(c1ccco1)O 1P00152J [0,2,0,0,0,0|0,2,0]=4 2508 B8R1.7 OB(c1cccs1)O 1P00365P [0,2,0,0,0,0|0,1,0]=3 2509 B8R1.7 OC(=O)c1ccc[nH]1 1P00360N [0,2,0,0,0,0|1,1,0]=4 2510 B8R1.7 OC(=O)c1cccs1 1P003IEW [0,2,0,0,0,0|0,1,0]=3 2511 B8R1.7 OC(=O)c1ccns1 1P0008NL [0,2,0,0,0,0|1,1,0]=4 2512 B8R1.7 OC(=O)c1cncs1 1P001L77 [0,2,0,0,0,0|1,1,0]=4 2513 B8R1.7 OC(=O)c1nccs1 1P001HT7 [0,2,0,0,0,0|1,1,0]=4 2514 B8R1.7 SC(=S)c1c[nH]cn1 1P003M0P [0,2,0,0,0,0|2,0,0]=4 2515 B8R1.7 [O-]C(=O)c1cccs1 1P002R08 [0,2,0,0,0,0|0,1,0]=3 2516 B8R1.7 [O-]C(=O)c1cccs1 1P00353G [0,2,0,0,0,0|0,1,0]=3 2517 B8R1.7 [O-]C(=O)c1cccs1 1P01XCZI [0,2,0,0,0,0|0,1,0]=3 2518 B8R1.7 [O-]C(=O)c1cncs1 1P01A8FB [0,2,0,0,0,0|1,1,0]=4 2519 B8R1.7 [O-]S(=O)c1cccs1 1P019ZVR [0,2,0,0,0,0|0,0,1]=3 2520 B8R1.7 [O-][N+](=O)c1ccc[nH]1 1P0037M6 [0,2,0,0,0,0|1,1,0]=4 2521 B8R1.7 [O-][N+](=O)c1ccco1 1P003I9C [0,2,0,0,0,0|0,2,0]=4 2522 B8R1.7 [O-][N+](=O)c1cccs1 1P0033VP [0,2,0,0,0,0|0,1,0]=3 2523 B8R1.7 [O-][N+](=O)c1cncs1 1P001L73 [0,2,0,0,0,0|1,1,0]=4 2524 B8R1.7 [O-][N+](=O)c1nccs1 1P001SIY [0,2,0,0,0,0|1,1,0]=4 2525 B8R1.8 BrCCc1cccs1 1P002TU6 [0,2,0,0,0,0|1,0,0]=3 2526 B8R1.8 BrCCc1ccns1 1P01BJ4U [0,2,0,0,0,0|2,0,0]=4 2527 B8R1.8 BrCCc1cncs1 1P01BBZH [0,2,0,0,0,0|2,0,0]=4 2528 B8R1.8 C(c1cncs1)C#N 1P00DJRR [0,2,0,0,0,0|2,0,0]=4 2529 B8R1.8 CCCc1ccc[nH]1 1P007FSL [0,2,0,0,0,0|2,0,0]=4 2530 B8R1.8 CCCc1cccs1 1P003IDK [0,2,0,0,0,0|1,0,0]=3 2531 B8R1.8 CCCc1nccs1 1P00250A [0,2,0,0,0,0|2,0,0]=4 2532 B8R1.8 CCNc1nccs1 1P009VZC [0,2,0,0,0,0|2,0,0]=4 2533 B8R1.8 CCNc1nccs1 1P00IGOJ [0,2,0,0,0,0|2,0,0]=4 2534 B8R1.8 CCOc1cccs1 1P01HY7F [0,2,0,0,0,0|0,1,0]=3 2535 B8R1.8 CCOc1nccs1 1P001PGN [0,2,0,0,0,0|1,1,0]=4 2536 B8R1.8 CNCc1ccc[nH]1 1P002S02 [0,2,0,0,0,0|2,0,0]=4 2537 B8R1.8 CNCc1ccc[nH]1 1P027XEF [0,2,0,0,0,0|2,0,0]=4 2538 B8R1.8 CNCc1ccco1 1P00D8RX [0,2,0,0,0,0|1,1,0]=4 2539 B8R1.8 CNCc1cccs1 1P003TMJ [0,2,0,0,0,0|1,0,0]=3 2540 B8R1.8 CNCc1cccs1 1P003TMK [0,2,0,0,0,0|1,0,0]=3 2541 B8R1.8 CNCc1cncs1 1P00H3L5 [0,2,0,0,0,0|2,0,0]=4 2542 B8R1.8 CNCc1nccs1 1P001JI2 [0,2,0,0,0,0|2,0,0]=4 2543 B8R1.8 CNCc1nccs1 1P00J1AR [0,2,0,0,0,0|2,0,0]=4 2544 B8R1.8 COCc1cccs1 1P001LLJ [0,2,0,0,0,0|0,1,0]=3 2545 B8R1.8 COCc1ccns1 1P01FL4P [0,2,0,0,0,0|1,1,0]=4 2546 B8R1.8 COCc1cncs1 1P027XKB [0,2,0,0,0,0|1,1,0]=4 2547 B8R1.8 CSCc1cc[nH]n1 1P01CAKK [0,2,0,0,0,0|2,0,0]=4 2548 B8R1.8 CSCc1ccco1 1P003R63 [0,2,0,0,0,0|0,1,0]=3 2549 B8R1.8 ClCCc1cccs1 1P002CY4 [0,2,0,0,0,0|1,0,0]=3 2550 B8R1.8 ClCCc1cncs1 1P01AML1 [0,2,0,0,0,0|2,0,0]=4 2551 B8R1.8 N#CCc1ccc[nH]1 1P00DYLT [0,2,0,0,0,0|2,0,0]=4 2552 B8R1.8 N#CCc1ccco1 1P00BDAE [0,2,0,0,0,0|1,1,0]=4 2553 B8R1.8 N#CCc1cccs1 1P002KFF [0,2,0,0,0,0|1,0,0]=3 2554 B8R1.8 N#CCc1nccs1 1P0003Z1 [0,2,0,0,0,0|2,0,0]=4 2555 B8R1.8 NCCc1ccc[nH]1 1P003F9F [0,2,0,0,0,0|2,0,0]=4 2556 B8R1.8 NCCc1ccco1 1P003HT8 [0,2,0,0,0,0|1,1,0]=4 2557 B8R1.8 NCCc1ccco1 1P00J3S8 [0,2,0,0,0,0|1,1,0]=4 2558 B8R1.8 NCCc1cccs1 1P0030KO [0,2,0,0,0,0|1,0,0]=3 2559 B8R1.8 NCCc1nccs1 1P003AOM [0,2,0,0,0,0|2,0,0]=4 2560 B8R1.8 NCCc1nccs1 1P0075VS [0,2,0,0,0,0|2,0,0]=4 2561 B8R1.8 NCCc1scnc1 1P00G9Z1 [0,2,0,0,0,0|2,0,0]=4 2562 B8R1.8 NNCc1cccs1 1P00J317 [0,2,0,0,0,0|1,0,0]=3 2563 B8R1.8 NOCc1cccs1 1P01P0SG [0,2,0,0,0,0|0,1,0]=3 2564 B8R1.8 O=C=Nc1ccco1 1P005XGA [0,2,0,0,0,0|0,2,0]=4 2565 B8R1.8 O=C=Nc1cccs1 1P002A6D [0,2,0,0,0,0|0,1,0]=3 2566 B8R1.8 O=CCc1cccs1 1P00AD6S [0,2,0,0,0,0|0,1,0]=3 2567 B8R1.8 OCCc1ccc[nH]1 1P006ZXJ [0,2,0,0,0,0|1,1,0]=4 2568 B8R1.8 OCCc1ccco1 1P00BZB3 [0,2,0,0,0,0|0,2,0]=4 2569 B8R1.8 OCCc1cccs1 1P0033WO [0,2,0,0,0,0|0,1,0]=3 2570 B8R1.8 OCCc1cncs1 1P01B9DR [0,2,0,0,0,0|1,1,0]=4 2571 B8R1.8 OCCc1nccs1 1P0040AO [0,2,0,0,0,0|1,1,0]=4 2572 B8R1.8 ON=Cc1cccs1 1P002ZKS [0,2,0,0,0,0|0,1,0]=3 2573 B8R1.8 O\N=C\c1ccc[nH]1 1P003UJT [0,2,0,0,0,0|1,1,0]=4 2574 B8R1.8 SCCc1ccco1 1P01HNHQ [0,2,0,0,0,0|0,1,0]=3 2575 B8R1.8 SCCc1cccs1 1P01HCS8 [0,2,0,0,0,0|0,0,0]=2 2576 B8R1.8 SCCc1cscc1 1P028DTF [0,2,0,0,0,0|2,0,0]=4 2577 B8R1.8 SCCn1cccn1 1P019UID [0,2,0,0,0,0|2,0,0]=4 2578 B8R1.8 [C-]#[N+]Cc1cccs1 1P028JRQ [0,2,0,0,0,0|1,0,0]=3 2579 B8R1.11 BrCc1ccsc1Br 1P003H35 [0,2,0,0,0,0|1,0,0]=3 2580 B8R1.11 BrCc1cnsc1Br 1P028AZV [0,2,0,0,0,0|2,0,0]=4 2581 B8R1.11 BrCc1sncc1Br 1P01C71S [0,2,0,0,0,0|2,0,0]=4 2582 B8R1.11 Brc1c(C=O)cc[nH]1 1P0293SK [0,2,0,0,0,0|2,0,0]=4 2583 B8R1.11 Brc1cnsc1C#N 1P0289D9 [0,2,0,0,0,0|2,0,0]=4 2584 B8R1.11 Brc1cnsc1C=O 1P01BVX5 [0,2,0,0,0,0|1,1,0]=4 2585 B8R1.11 Brc1ncsc1C#N 1P00HV5T [0,2,0,0,0,0|2,0,0]=4 2586 B8R1.11 Brc1ncsc1C=O 1P000MKC [0,2,0,0,0,0|1,1,0]=4 2587 B8R1.11 Brc1occc1C=O 1P007P64 [0,2,0,0,0,0|1,1,0]=4 2588 B8R1.11 Brc1sccc1C#N 1P00DDDI [0,2,0,0,0,0|1,0,0]=3 2589 B8R1.11 Brc1sccc1C=O 1P0038OD [0,2,0,0,0,0|1,0,0]=3 2590 B8R1.11 Brc1scnc1C=O 1P00LXUD [0,2,0,0,0,0|2,0,0]=4 2591 B8R1.11 C#Cc1occc1Br 1P0283SO [0,2,0,0,0,0|1,1,0]=4 2592 B8R1.11 C#Cc1sccc1Br 1P028ZFD [0,2,0,0,0,0|1,0,0]=3 2593 B8R1.11 C#Cc1sccc1C 1P008N5V [0,2,0,0,0,0|1,0,0]=3 2594 B8R1.11 C#Cc1sccc1Cl 1P024UL1 [0,2,0,0,0,0|1,0,0]=3 2595 B8R1.11 C=Cc1cccn1C 1P01BTSH [0,2,0,0,0,0|2,0,0]=4 2596 B8R1.11 CCc1ncsc1Br 1P00KDXM [0,2,0,0,0,0|2,0,0]=4 2597 B8R1.11 CCc1ncsc1N 1P01A25Z [0,2,0,0,0,0|2,0,0]=4 2598 B8R1.11 CCc1scnc1C 1P00C09C [0,2,0,0,0,0|2,0,0]=4 2599 B8R1.11 CCn1ccnc1S 1P007X2J [0,2,0,0,0,0|2,0,0]=4 2600 B8R1.11 COc1ncsc1Br 1P01FIXZ [0,2,0,0,0,0|2,0,0]=4 2601 B8R1.11 COc1sccc1Br 1P00EQRS [0,2,0,0,0,0|0,1,0]=3 2602 B8R1.11 CSc1ccoc1C 1P003I2Z [0,2,0,0,0,0|1,1,0]=4 2603 B8R1.11 CSc1cscc1Br 1P01HIP5 [0,2,0,0,0,0|2,0,0]=4 2604 B8R1.11 CSc1nccn1C 1P001KPA [0,2,0,0,0,0|2,0,0]=4 2605 B8R1.11 Cc1cnsc1C=O 1P00490Z [0,2,0,0,0,0|1,1,0]=4 2606 B8R1.11 Cc1conc1CS 1P0285XB [0,2,0,0,0,0|2,0,0]=4 2607 B8R1.11 Cc1ncsc1C=C 1P0021R5 [0,2,0,0,0,0|2,0,0]=4 2608 B8R1.11 Cc1ncsc1C=O 1P003M9J [0,2,0,0,0,0|1,1,0]=4 2609 B8R1.11 Cc1ncsc1CBr 1P00J3DE [0,2,0,0,0,0|2,0,0]=4 2610 B8R1.11 Cc1ncsc1CCl 1P000UJQ [0,2,0,0,0,0|2,0,0]=4 2611 B8R1.11 Cc1ncsc1CN 1P00G55H [0,2,0,0,0,0|2,0,0]=4 2612 B8R1.11 Cc1ncsc1CO 1P002BFI [0,2,0,0,0,0|1,1,0]=4 2613 B8R1.11 Cc1occc1C=O 1P00DBXY [0,2,0,0,0,0|1,1,0]=4 2614 B8R1.11 Cc1occc1CN 1P00C939 [0,2,0,0,0,0|1,1,0]=4 2615 B8R1.11 Cc1occc1CN 1P019XAT [0,2,0,0,0,0|1,1,0]=4 2616 B8R1.11 Cc1occc1CO 1P003IP1 [0,2,0,0,0,0|1,1,0]=4 2617 B8R1.11 Cc1sccc1C=O 1P004NVR [0,2,0,0,0,0|1,0,0]=3 2618 B8R1.11 Cc1sccc1CCl 1P027UD7 [0,2,0,0,0,0|1,0,0]=3 2619 B8R1.11 Cc1sccc1CN 1P01FJXJ [0,2,0,0,0,0|1,0,0]=3 2620 B8R1.11 Cc1scnc1C=O 1P002SGK [0,2,0,0,0,0|2,0,0]=4 2621 B8R1.11 Cc1scnc1CCl 1P00HWGE [0,2,0,0,0,0|2,0,0]=4 2622 B8R1.11 Cc1scnc1CN 1P028ZJJ [0,2,0,0,0,0|2,0,0]=4 2623 B8R1.11 Cc1scnc1CO 1P004N28 [0,2,0,0,0,0|2,0,0]=4 2624 B8R1.11 Cc1scnc1CO 1P00J30A [0,2,0,0,0,0|2,0,0]=4 2625 B8R1.11 Cc1sncc1C=O 1P01EMPQ [0,2,0,0,0,0|2,0,0]=4 2626 B8R1.11 ClCc1ccsc1Cl 1P0082W6 [0,2,0,0,0,0|1,0,0]=3 2627 B8R1.11 ClCc1sccc1Br 1P00FGO5 [0,2,0,0,0,0|1,0,0]=3 2628 B8R1.11 ClCc1sccc1Cl 1P01BFZ0 [0,2,0,0,0,0|1,0,0]=3 2629 B8R1.11 ClCc1sccc1I 1P01RLGG [0,2,0,0,0,0|1,0,0]=3 2630 B8R1.11 Clc1ncsc1C#N 1P00ANOJ [0,2,0,0,0,0|2,0,0]=4 2631 B8R1.11 Clc1ncsc1C=O 1P007WV6 [0,2,0,0,0,0|1,1,0]=4 2632 B8R1.11 Clc1sccc1C#N 1P000XQ0 [0,2,0,0,0,0|1,0,0]=3 2633 B8R1.11 Clc1sccc1C=O 1P009WTJ [0,2,0,0,0,0|1,0,0]=3 2634 B8R1.11 Clc1sccc1CBr 1P00BYC2 [0,2,0,0,0,0|1,0,0]=3 2635 B8R1.11 Clc1scnc1C#N 1P009AO2 [0,2,0,0,0,0|2,0,0]=4 2636 B8R1.11 Cn1nccc1CS 1P028GXP [0,2,0,0,0,0|2,0,0]=4 2637 B8R1.11 Ic1sccc1C=O 1P002H71 [0,2,0,0,0,0|1,0,0]=3 2638 B8R1.11 N#CC1=C(C)C=CN1 1P01G7RI [0,2,0,0,0,0|2,0,0]=4 2639 B8R1.11 N#Cc1cccn1C 1P00339G [0,2,0,0,0,0|2,0,0]=4 2640 B8R1.11 N#Cc1cccn1N 1P007E3X [0,2,0,0,0,0|2,0,0]=4 2641 B8R1.11 N#Cc1cccn1N 1P00GV5Z [0,2,0,0,0,0|2,0,0]=4 2642 B8R1.11 N#Cc1occc1Br 1P01DXMQ [0,2,0,0,0,0|1,1,0]=4 2643 B8R1.11 N#Cc1sccc1Br 1P002H1F [0,2,0,0,0,0|1,0,0]=3 2644 B8R1.11 N#Cc1sccc1C 1P003K8R [0,2,0,0,0,0|1,0,0]=3 2645 B8R1.11 N#Cc1sccc1Cl 1P001F3J [0,2,0,0,0,0|1,0,0]=3 2646 B8R1.11 N#Cc1sccc1N 1P00ELHY [0,2,0,0,0,0|1,0,0]=3 2647 B8R1.11 NCc1cccn1C 1P00FBQ5 [0,2,0,0,0,0|2,0,0]=4 2648 B8R1.11 NCc1cccn1C 1P01DL4E [0,2,0,0,0,0|2,0,0]=4 2649 B8R1.11 NCc1ccsc1Br 1P001Q2F [0,2,0,0,0,0|1,0,0]=3 2650 B8R1.11 NCc1ccsc1Cl 1P028ZZB [0,2,0,0,0,0|1,0,0]=3 2651 B8R1.11 NCc1ccsc1I 1P028B92 [0,2,0,0,0,0|1,0,0]=3 2652 B8R1.11 NCc1occc1C 1P00CM1P [0,2,0,0,0,0|1,1,0]=4 2653 B8R1.11 NCc1sccc1Br 1P0055YI [0,2,0,0,0,0|1,0,0]=3 2654 B8R1.11 NCc1sccc1C 1P003C9G [0,2,0,0,0,0|1,0,0]=3 2655 B8R1.11 NCc1sccc1C 1P00HBEG [0,2,0,0,0,0|1,0,0]=3 2656 B8R1.11 NCc1sccc1Cl 1P00BK1B [0,2,0,0,0,0|1,0,0]=3 2657 B8R1.11 NCc1sccc1Cl 1P00ILE2 [0,2,0,0,0,0|1,0,0]=3 2658 B8R1.11 NCc1sccc1I 1P028CQW [0,2,0,0,0,0|1,0,0]=3 2659 B8R1.11 NCc1sncc1Br 1P01C71U [0,2,0,0,0,0|2,0,0]=4 2660 B8R1.11 Nc1c(cc[nH]1)C#N 1P005JZ0 [0,2,0,0,0,0|2,0,0]=4 2661 B8R1.11 Nc1occc1C#N 1P001BCB [0,2,0,0,0,0|1,1,0]=4 2662 B8R1.11 Nc1sccc1C#N 1P0033L6 [0,2,0,0,0,0|1,0,0]=3 2663 B8R1.11 Nc1sncc1C#N 1P00HX2Z [0,2,0,0,0,0|2,0,0]=4 2664 B8R1.11 O=Cc1[nH]ccc1Br 1P00CRE5 [0,2,0,0,0,0|1,1,0]=4 2665 B8R1.11 O=Cc1[nH]ccc1C 1P007OR5 [0,2,0,0,0,0|1,1,0]=4 2666 B8R1.11 O=Cc1cccn1C 1P000IT4 [0,2,0,0,0,0|1,1,0]=4 2667 B8R1.11 O=Cc1occc1Br 1P006VJD [0,2,0,0,0,0|0,2,0]=4 2668 B8R1.11 O=Cc1occc1F 1P01DTUB [0,2,0,0,0,0|0,2,0]=4 2669 B8R1.11 O=Cc1sccc1Br 1P003JM1 [0,2,0,0,0,0|0,1,0]=3 2670 B8R1.11 O=Cc1sccc1C 1P00347R [0,2,0,0,0,0|0,1,0]=3 2671 B8R1.11 O=Cc1sccc1Cl 1P0061KR [0,2,0,0,0,0|0,1,0]=3 2672 B8R1.11 O=Cc1sccc1I 1P01H392 [0,2,0,0,0,0|0,1,0]=3 2673 B8R1.11 O=Cc1sccc1N 1P00EIWP [0,2,0,0,0,0|0,1,0]=3 2674 B8R1.11 OCc1ccsc1Br 1P005X2K [0,2,0,0,0,0|1,0,0]=3 2675 B8R1.11 OCc1ccsc1Cl 1P0085TY [0,2,0,0,0,0|1,0,0]=3 2676 B8R1.11 OCc1ncsc1Br 1P01C4HA [0,2,0,0,0,0|2,0,0]=4 2677 B8R1.11 OCc1occc1C 1P00C2AP [0,2,0,0,0,0|0,2,0]=4 2678 B8R1.11 OCc1sccc1Br 1P00FBQ7 [0,2,0,0,0,0|0,1,0]=3 2679 B8R1.11 OCc1sccc1C 1P00EJFD [0,2,0,0,0,0|0,1,0]=3 2680 B8R1.11 OCc1sccc1Cl 1P00BBN8 [0,2,0,0,0,0|0,1,0]=3 2681 B8R1.11 OCc1sccc1N 1P00AC6X [0,2,0,0,0,0|0,1,0]=3 2682 B8R1.11 OCc1scnc1Br 1P002SVS [0,2,0,0,0,0|1,1,0]=4 2683 B8R1.11 OCc1scnc1Cl 1P0008BK [0,2,0,0,0,0|1,1,0]=4 2684 B8R1.11 OCc1sncc1Br 1P01C71R [0,2,0,0,0,0|1,1,0]=4 2685 B8R1.11 OCc1sncc1I 1P028WSY [0,2,0,0,0,0|1,1,0]=4 2686 B8R1.11 SCc1occc1C 1P01EJ9G [0,2,0,0,0,0|0,1,0]=3 2687 B8R1.11 [O-]Cc1cccn1C 1P00DAW6 [0,2,0,0,0,0|1,1,0]=4 2688 B8R1.18 Brc1cc(c(s1)I)Cl 1P028S4Q [0,2,0,0,0,0|1,0,0]=3 2689 B8R1.18 Brc1cn(c(c1)N)C 1P02892E [0,2,0,0,0,0|2,0,0]=4 2690 B8R1.18 Brc1sc(c(c1)Br)Br 1P00I6EK [0,2,0,0,0,0|1,0,0]=3 2691 B8R1.18 Brc1sc(c(c1)Br)C 1P002YT7 [0,2,0,0,0,0|1,0,0]=3 2692 B8R1.18 Brc1sc(c(c1)C)Br 1P0010DT [0,2,0,0,0,0|1,0,0]=3 2693 B8R1.18 Brc1sc(c(c1)Cl)Br 1P01E7TS [0,2,0,0,0,0|1,0,0]=3 2694 B8R1.18 Brc1sc(c(c1)Cl)Cl 1P008J2M [0,2,0,0,0,0|1,0,0]=3 2695 B8R1.18 Brc1sc(c(n1)Br)Br 1P00ELMF [0,2,0,0,0,0|2,0,0]=4 2696 B8R1.18 Brc1sc(c(n1)Br)C 1P003G69 [0,2,0,0,0,0|2,0,0]=4 2697 B8R1.18 Brc1sc(c(n1)C)Br 1P008N2N [0,2,0,0,0,0|2,0,0]=4 2698 B8R1.18 Brc1sc(c(n1)C)C 1P0038K6 [0,2,0,0,0,0|2,0,0]=4 2699 B8R1.18 Brc1sc(c(n1)Cl)Br 1P01HKKV [0,2,0,0,0,0|2,0,0]=4 2700 B8R1.18 C=C1OC(=O)C(=C1)C 1P01GOIN [0,2,0,0,0,0|0,2,0]=4 2701 B8R1.18 CC1=C(Br)SC(N)=N1 1P01KIO4 [0,2,0,0,0,0|2,0,0]=4 2702 B8R1.18 Cc1nc(c(s1)I)Br 1P028ZPC [0,2,0,0,0,0|2,0,0]=4 2703 B8R1.18 Cc1oc(c(c1)S)C 1P003GGM [0,2,0,0,0,0|1,1,0]=4 2704 B8R1.18 Cc1sc(c(c1)Br)Br 1P027YNY [0,2,0,0,0,0|1,0,0]=3 2705 B8R1.18 Cc1sc(c(c1)Br)C 1P007IW4 [0,2,0,0,0,0|1,0,0]=3 2706 B8R1.18 Cc1sc(c(c1)C)Br 1P00AOIX [0,2,0,0,0,0|1,0,0]=3 2707 B8R1.18 Cc1sc(c(c1)C)C 1P0027I0 [0,2,0,0,0,0|1,0,0]=3 2708 B8R1.18 Cc1sc(c(c1)C)S 1P01C7O2 [0,2,0,0,0,0|0,0,0]=2 2709 B8R1.18 Cc1sc(c(c1)I)C 1P0074HW [0,2,0,0,0,0|1,0,0]=3 2710 B8R1.18 Cc1sc(c(c1)N)C 1P01EIGM [0,2,0,0,0,0|1,0,0]=3 2711 B8R1.18 Cc1sc(c(c1)S)C 1P0201CP [0,2,0,0,0,0|1,0,0]=3 2712 B8R1.18 Cc1sc(c(n1)Br)C 1P00IGPX [0,2,0,0,0,0|2,0,0]=4 2713 B8R1.18 Cc1sc(c(n1)C)Br 1P002WA1 [0,2,0,0,0,0|2,0,0]=4 2714 B8R1.18 Cc1sc(c(n1)C)C 1P003BKT [0,2,0,0,0,0|2,0,0]=4 2715 B8R1.18 Cc1sc(c(n1)C)N 1P00G5DE [0,2,0,0,0,0|2,0,0]=4 2716 B8R1.18 Cc1sc(c(n1)C)N 1P01BJU5 [0,2,0,0,0,0|2,0,0]=4 2717 B8R1.18 Cc1sc(c(n1)I)C 1P027XKD [0,2,0,0,0,0|2,0,0]=4 2718 B8R1.18 Clc1cc(c(s1)C)Br 1P01XCER [0,2,0,0,0,0|1,0,0]=3 2719 B8R1.18 Clc1cc(c(s1)I)Br 1P028STW [0,2,0,0,0,0|1,0,0]=3 2720 B8R1.18 Clc1nc(c(s1)C)Br 1P01EHU2 [0,2,0,0,0,0|2,0,0]=4 2721 B8R1.18 Clc1nc(c(s1)I)Br 1P02839J [0,2,0,0,0,0|2,0,0]=4 2722 B8R1.18 Clc1nc(c(s1)I)C 1P028V79 [0,2,0,0,0,0|2,0,0]=4 2723 B8R1.18 Clc1sc(c(c1)Br)Cl 1P00EC4J [0,2,0,0,0,0|1,0,0]=3 2724 B8R1.18 Clc1sc(c(c1)C)Cl 1P003GDQ [0,2,0,0,0,0|1,0,0]=3 2725 B8R1.18 Clc1sc(c(c1)Cl)Br 1P01ELL6 [0,2,0,0,0,0|1,0,0]=3 2726 B8R1.18 Clc1sc(c(c1)Cl)Cl 1P003FVV [0,2,0,0,0,0|1,0,0]=3 2727 B8R1.18 Clc1sc(c(c1)Cl)I 1P028ROW [0,2,0,0,0,0|1,0,0]=3 2728 B8R1.18 Clc1sc(c(c1)N)Cl 1P028RJ1 [0,2,0,0,0,0|1,0,0]=3 2729 B8R1.18 Clc1sc(c(n1)Br)Br 1P028YWN [0,2,0,0,0,0|2,0,0]=4 2730 B8R1.18 Clc1sc(c(n1)Br)Cl 1P028YJD [0,2,0,0,0,0|2,0,0]=4 2731 B8R1.18 Clc1sc(c(n1)C)C 1P00EKTP [0,2,0,0,0,0|2,0,0]=4 2732 B8R1.18 Clc1sc(c(n1)Cl)Br 1P02826A [0,2,0,0,0,0|2,0,0]=4 2733 B8R1.18 Clc1sc(c(n1)Cl)C 1P0085K0 [0,2,0,0,0,0|2,0,0]=4 2734 B8R1.18 Clc1sc(c(n1)Cl)Cl 1P006W5R [0,2,0,0,0,0|2,0,0]=4 2735 B8R1.18 Clc1sc(c(n1)Cl)I 1P02841Z [0,2,0,0,0,0|2,0,0]=4 2736 B8R1.18 Clc1sc(c(n1)I)Cl 1P027YHJ [0,2,0,0,0,0|2,0,0]=4 2737 B8R1.18 Clc1sn(c(=O)c1)C 1P00IAG6 [0,2,0,0,0,0|2,0,0]=4 2738 B8R1.18 Cn1sc(cc1=O)Cl 1P0038LG [0,2,0,0,0,0|2,0,0]=4 2739 B8R1.18 Cn1sc(cc1=O)Cl 1P01EB0T [0,2,0,0,0,0|2,0,0]=4 2740 B8R1.18 Fc1nc(c(s1)Br)C 1P0282U9 [0,2,0,0,0,0|2,0,0]=4 2741 B8R1.18 Ic1[nH]c(c(c1)I)I 1P01DTDK [0,2,0,0,0,0|2,0,0]=4 2742 B8R1.18 Ic1cc(c(s1)Br)Cl 1P01DVVJ [0,2,0,0,0,0|1,0,0]=3 2743 B8R1.18 Ic1cc(c(s1)Cl)Br 1P028BKJ [0,2,0,0,0,0|1,0,0]=3 2744 B8R1.18 Ic1sc(c(c1)Br)Br 1P028DQ3 [0,2,0,0,0,0|1,0,0]=3 2745 B8R1.18 Ic1sc(c(c1)C)C 1P028YU4 [0,2,0,0,0,0|1,0,0]=3 2746 B8R1.18 Ic1sc(c(c1)Cl)I 1P01JV8K [0,2,0,0,0,0|1,0,0]=3 2747 B8R1.18 Ic1sc(c(n1)C)C 1P028FO5 [0,2,0,0,0,0|2,0,0]=4 2748 B8R1.18 Nc1nc(c(s1)Br)C 1P00309T [0,2,0,0,0,0|2,0,0]=4 2749 B8R1.18 Nc1nc(c(s1)Br)C 1P0072MF [0,2,0,0,0,0|2,0,0]=4 2750 B8R1.18 Nc1nc(c(s1)C)Br 1P003ATH [0,2,0,0,0,0|2,0,0]=4 2751 B8R1.18 Nc1nc(c(s1)C)O 1P00A8UL [0,2,0,0,0,0|2,0,0]=4 2752 B8R1.18 Nc1nc(c(s1)Cl)C 1P00COUI [0,2,0,0,0,0|2,0,0]=4 2753 B8R1.18 Nc1nc(c(s1)Cl)C 1P00D8GN [0,2,0,0,0,0|2,0,0]=4 2754 B8R1.18 Nc1nc(c(s1)F)C 1P01A3DQ [0,2,0,0,0,0|2,0,0]=4 2755 B8R1.18 Nc1nc(c(s1)I)C 1P01C47U [0,2,0,0,0,0|2,0,0]=4 2756 B8R1.18 Nc1sc(c(n1)C)C 1P002LTZ [0,2,0,0,0,0|2,0,0]=4 2757 B8R1.18 Nc1sc(c(n1)C)C 1P003GV7 [0,2,0,0,0,0|2,0,0]=4 2758 B8R1.18 Nc1sc(c(n1)C)C 1P0065AC [0,2,0,0,0,0|2,0,0]=4 2759 B8R1.18 O=C1C=C(C(=O)N1)C 1P009RCV [0,2,0,0,0,0|1,1,0]=4 2760 B8R1.18 O=C1C=C(C(=O)O1)Br 1P00ED1C [0,2,0,0,0,0|0,2,0]=4 2761 B8R1.18 O=C1C=C(C(=O)O1)C 1P003530 [0,2,0,0,0,0|0,2,0]=4 2762 B8R1.18 O=c1[nH]c(c(s1)C)C 1P01DUSE [0,2,0,0,0,0|1,1,0]=4 2763 B8R1.18 Oc1cc(c(s1)Cl)Br 1P028WS7 [0,2,0,0,0,0|0,1,0]=3 2764 B8R1.18 S=c1[nH]c(c(s1)C)C 1P0037RJ [0,2,0,0,0,0|1,0,1]=4 2765 B8R1.18 Sc1oc(c(n1)C)C 1P00FQ17 [0,2,0,0,0,0|1,1,0]=4 2766 B8R1.50 Brc1c(Br)csc1Br 1P003FUO [0,2,0,0,0,0|1,0,0]=3 2767 B8R1.50 Brc1c(C)csc1C 1P008MHN [0,2,0,0,0,0|1,0,0]=3 2768 B8R1.50 Brc1csc(c1I)Cl 1P0284UN [0,2,0,0,0,0|1,0,0]=3 2769 B8R1.50 CC1=C(O)C(=O)SC1 1P00C9PK [0,2,0,0,0,0|0,1,1]=4 2770 B8R1.50 CN1C(=O)C=CC1=O 1P0035V5 [0,2,0,0,0,0|1,1,0]=4 2771 B8R1.50 C[n+]1csc(c1C)C 1P00EFGV [0,2,0,0,0,0|2,0,0]=4 2772 B8R1.50 Cc1[nH]cc(c1C)C 1P00C0Q9 [0,2,0,0,0,0|2,0,0]=4 2773 B8R1.50 Cc1ccc(n1C)C 1P003BGF [0,2,0,0,0,0|2,0,0]=4 2774 B8R1.50 Cc1ccc(n1N)C 1P00GEQ0 [0,2,0,0,0,0|2,0,0]=4 2775 B8R1.50 Cc1cnn(c1S)C 1P028F3D [0,2,0,0,0,0|2,0,0]=4 2776 B8R1.50 Cc1csc(=S)n1O 1P003K0H [0,2,0,0,0,0|1,0,1]=4 2777 B8R1.50 Cc1csc(c1Br)N 1P028T8X [0,2,0,0,0,0|1,0,0]=3 2778 B8R1.50 Cc1csc(c1N)Cl 1P01B5VI [0,2,0,0,0,0|1,0,0]=3 2779 B8R1.50 Cc1nsc(c1Br)Br 1P01KKME [0,2,0,0,0,0|2,0,0]=4 2780 B8R1.50 Cc1nsc(c1Br)N 1P004N7Y [0,2,0,0,0,0|2,0,0]=4 2781 B8R1.50 Cc1nsc(c1Cl)N 1P00IKBV [0,2,0,0,0,0|2,0,0]=4 2782 B8R1.50 Cc1nsc(c1I)N 1P00GMDW [0,2,0,0,0,0|2,0,0]=4 2783 B8R1.50 Cc1nsc(c1N)Br 1P028AIL [0,2,0,0,0,0|2,0,0]=4 2784 B8R1.50 Clc1csc(c1Cl)I 1P027UBD [0,2,0,0,0,0|1,0,0]=3 2785 B8R1.50 Clc1ssc(=O)c1Cl 1P000IT7 [0,2,0,0,0,0|1,1,0]=4 2786 B8R1.50 Ic1[nH]cc(c1I)I 1P01EIZM [0,2,0,0,0,0|2,0,0]=4 2787 B8R1.50 Ic1c(C)nsc1C 1P028DY1 [0,2,0,0,0,0|2,0,0]=4 2788 B8R1.50 Nc1c(C)csc1C 1P01DU3J [0,2,0,0,0,0|1,0,0]=3 2789 B8R1.50 Nc1c(C)nsc1C 1P01BCXK [0,2,0,0,0,0|2,0,0]=4 2790 B8R1.50 Oc1c(C)csc1C 1P028JZZ [0,2,0,0,0,0|1,0,0]=3 2791 B6R1.1 C1CC=CC=C1 1P00E9LK [0,0,1,1,0,0|2,0,0]=4 2792 B6R1.1 [13cH]1[13cH][13cH][13cH][13cH][13cH]1 1P00C19H [0,0,1,1,0,0|2,0,0]=4 2793 B6R1.1 c1[c-]cccc1 1P003VM5 [0,0,1,1,0,0|2,0,0]=4 2794 B6R1.1 c1[c-]cccc1 1P01EBEV [0,0,1,1,0,0|2,0,0]=4 2795 B6R1.1 c1[c]cccc1 1P003OQP [0,0,1,1,0,0|2,0,0]=4 2796 B6R1.1 c1[c]cccc1 1P00C85G [0,0,1,1,0,0|2,0,0]=4 2797 B6R1.1 c1ccc[nH+]c1 1P01FFZ4 [0,0,1,1,0,0|2,0,0]=4 2798 B6R1.1 c1ccc[o+]c1 1P01X6D0 [0,0,1,1,0,0|1,1,0]=4 2799 B6R1.1 c1ccccc1 1P000X4T [0,0,1,1,0,0|2,0,0]=4 2800 B6R1.1 c1ccccc1 1P00I7TI [0,0,1,1,0,0|2,0,0]=4 2801 B6R1.1 c1cccnc1 1P001LMB [0,0,1,1,0,0|2,0,0]=4 2802 B6R1.1 c1cccnc1 1P001LVP [0,0,1,1,0,0|2,0,0]=4 2803 B6R1.1 c1cccnc1 1P001P9C [0,0,1,1,0,0|2,0,0]=4 2804 B6R1.1 c1cccnc1 1P002H86 [0,0,1,1,0,0|2,0,0]=4 2805 B6R1.1 c1cccnc1 1P002T3E [0,0,1,1,0,0|2,0,0]=4 2806 B6R1.1 c1cccnc1 1P002TJT [0,0,1,1,0,0|2,0,0]=4 2807 B6R1.1 c1cccnc1 1P00360F [0,0,1,1,0,0|2,0,0]=4 2808 B6R1.1 c1cccnc1 1P00360J [0,0,1,1,0,0|2,0,0]=4 2809 B6R1.1 c1cccnc1 1P003UJB [0,0,1,1,0,0|2,0,0]=4 2810 B6R1.1 c1cccnc1 1P00ACBP [0,0,1,1,0,0|2,0,0]=4 2811 B6R1.1 c1cccnc1 1P00ADJU [0,0,1,1,0,0|2,0,0]=4 2812 B6R1.1 c1cccnc1 1P00DE7T [0,0,1,1,0,0|2,0,0]=4 2813 B6R1.1 c1cccnc1 1P00E9FY [0,0,1,1,0,0|2,0,0]=4 2814 B6R1.1 c1cccnc1 1P01QOUU [0,0,1,1,0,0|2,0,0]=4 2815 B6R1.1 c1ccncn1 1P003UJJ [0,0,1,1,0,0|2,0,0]=4 2816 B6R1.1 c1ccnnc1 1P00360E [0,0,1,1,0,0|2,0,0]=4 2817 B6R1.1 c1ccnnc1 1P00E9DW [0,0,1,1,0,0|2,0,0]=4 2818 B8R2.25 c1ccc2c(c1)C2 1P00E0DR [0,0,0,1,0,1|2,0,0]=4 2819 B4R1.1 C1CC=C1 1P0056VU [1,0,0,0,1,0|0,0,2]=4 2820 B8R1.22 O=C1C=CCCC=C1 1P01DYXN [0,0,0,0,0,2|1,1,0]=4 2821 B8R1.22 O=c1cccccc1 1P003VPZ [0,0,0,0,0,2|1,1,0]=4