0 B10R1.11 C=CCC(c1ccco1)O 1P00EE7O [0,0,0,0,0,0|0,0,4]=4 1 B10R1.11 CC#CC(=O)c1cncs1 1P02833T [0,0,0,0,0,0|1,1,2]=4 2 B10R1.11 CCCC(=O)[C-]1C=CC=C1 1P000XIA [0,0,0,0,0,0|1,0,1]=2 3 B10R1.11 CCCC(=O)c1ccco1 1P003DB6 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.11 CCCC(=O)c1cccs1 1P003I8J [0,0,0,0,0,0|0,1,0]=1 5 B10R1.11 CCCC(=O)c1cscc1 1P00G89Y [0,0,0,0,0,0|2,0,0]=2 6 B10R1.11 CCCC(c1ccco1)N 1P01ATAY [0,0,0,0,0,0|1,0,1]=2 7 B10R1.11 CCCC(c1cccs1)N 1P00DD2X [0,0,0,0,0,0|1,1,1]=3 8 B10R1.11 CCCC(c1cccs1)N 1P00J2EV [0,0,0,0,0,0|1,1,1]=3 9 B10R1.11 CCCC(c1cccs1)O 1P01EUTS [0,0,0,0,0,0|0,1,2]=3 10 B10R1.11 CCCC(c1nccs1)O 1P01EMVF [0,0,0,0,0,0|1,1,2]=4 11 B10R1.11 CCNC(=O)c1c[nH]nn1 1P01AG92 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.11 CCNC(=O)c1ccc[nH]1 1P001PFF [0,0,0,0,0,0|2,0,0]=2 13 B10R1.11 CCOC(=N)c1cccs1 1P00IA7Z [0,0,0,0,0,0|2,1,0]=3 14 B10R1.11 CCOC(=O)C1=CCCC1 1P0008IV [0,0,0,0,0,0|2,0,2]=4 15 B10R1.11 CCOC(=O)C1=CCNC1 1P024980 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.11 CCOC(=O)C1CC=CC1 1P003JTE [0,0,0,0,0,0|2,0,2]=4 17 B10R1.11 CCOC(=O)c1c[nH]cc1 1P00BY7A [0,0,0,0,0,0|3,0,0]=3 18 B10R1.11 CCOC(=O)c1c[nH]nc1 1P0035C9 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.11 CCOC(=O)c1c[nH]nc1 1P01A5VV [0,0,0,0,0,0|4,0,0]=4 20 B10R1.11 CCOC(=O)c1c[nH]nn1 1P00397V [0,0,0,0,0,0|4,0,0]=4 21 B10R1.11 CCOC(=O)c1cc[nH]n1 1P002LCF [0,0,0,0,0,0|3,0,0]=3 22 B10R1.11 CCOC(=O)c1ccc[nH]1 1P003QHF [0,0,0,0,0,0|2,0,0]=2 23 B10R1.11 CCOC(=O)c1ccco1 1P003QKU [0,0,0,0,0,0|1,0,0]=1 24 B10R1.11 CCOC(=O)c1cccs1 1P003QM3 [0,0,0,0,0,0|1,1,0]=2 25 B10R1.11 CCOC(=O)c1ccno1 1P001ZOT [0,0,0,0,0,0|2,0,0]=2 26 B10R1.11 CCOC(=O)c1ccon1 1P00C75R [0,0,0,0,0,0|3,0,0]=3 27 B10R1.11 CCOC(=O)c1cn[nH]n1 1P008ZL1 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.11 CCOC(=O)c1cnc[nH]1 1P00BCEJ [0,0,0,0,0,0|3,0,0]=3 29 B10R1.11 CCOC(=O)c1cnco1 1P003QX0 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.11 CCOC(=O)c1cncs1 1P007ITV [0,0,0,0,0,0|2,1,0]=3 31 B10R1.11 CCOC(=O)c1cncs1 1P01EKJQ [0,0,0,0,0,0|2,1,0]=3 32 B10R1.11 CCOC(=O)c1cnns1 1P00C97Z [0,0,0,0,0,0|3,1,0]=4 33 B10R1.11 CCOC(=O)c1cocc1 1P00EADQ [0,0,0,0,0,0|3,0,0]=3 34 B10R1.11 CCOC(=O)c1cocn1 1P002MBM [0,0,0,0,0,0|3,0,0]=3 35 B10R1.11 CCOC(=O)c1conc1 1P005MO8 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.11 CCOC(=O)c1cscc1 1P003QXR [0,0,0,0,0,0|3,0,0]=3 37 B10R1.11 CCOC(=O)c1cscn1 1P001L75 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.11 CCOC(=O)c1csnn1 1P003QGV [0,0,0,0,0,0|4,0,0]=4 39 B10R1.11 CCOC(=O)c1n[nH]cn1 1P00EKBH [0,0,0,0,0,0|4,0,0]=4 40 B10R1.11 CCOC(=O)c1ncc[nH]1 1P003QW4 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.11 CCOC(=O)c1ncco1 1P0037UB [0,0,0,0,0,0|2,0,0]=2 42 B10R1.11 CCOC(=O)c1nccs1 1P001L76 [0,0,0,0,0,0|2,1,0]=3 43 B10R1.11 CCOC(=O)c1ncns1 1P00H3GM [0,0,0,0,0,0|3,1,0]=4 44 B10R1.11 CCOC(=O)c1nncs1 1P009KGY [0,0,0,0,0,0|3,1,0]=4 45 B10R1.11 CCOC(=O)c1nocn1 1P003QGW [0,0,0,0,0,0|4,0,0]=4 46 B10R1.11 CCOC(=O)n1ccnn1 1P00CYRW [0,0,0,0,0,0|4,0,0]=4 47 B10R1.11 CCOC(=O)n1cncc1 1P002G5H [0,0,0,0,0,0|4,0,0]=4 48 B10R1.11 CNCC(c1cccs1)O 1P00PKD6 [0,0,0,0,0,0|1,1,2]=4 49 B10R1.11 COCC(=O)c1ccco1 1P01B9BG [0,0,0,0,0,0|1,0,0]=1 50 B10R1.11 COCC(c1ccco1)N 1P019TYB [0,0,0,0,0,0|2,0,1]=3 51 B10R1.11 ClCCC(=O)c1cccs1 1P00CBGQ [0,0,0,0,0,0|1,1,0]=2 52 B10R1.11 N#CCC(=O)c1ccc[nH]1 1P00GVX1 [0,0,0,0,0,0|2,0,1]=3 53 B10R1.11 N#CCC(=O)c1ccco1 1P003HTC [0,0,0,0,0,0|1,0,1]=2 54 B10R1.11 N#CCC(=O)c1cccs1 1P003BQH [0,0,0,0,0,0|1,1,1]=3 55 B10R1.11 N#CCC(=O)c1cocc1 1P005VSW [0,0,0,0,0,0|3,0,1]=4 56 B10R1.11 N#CCC(=O)c1cscc1 1P00377N [0,0,0,0,0,0|3,0,1]=4 57 B10R1.11 N#CCC(c1ccco1)O 1P01BNU5 [0,0,0,0,0,0|1,0,3]=4 58 B10R1.11 NCCC(c1cccs1)O 1P0193H3 [0,0,0,0,0,0|1,1,2]=4 59 B10R1.11 O=C=NC(=O)c1cccs1 1P019NSF [0,0,0,0,0,0|2,1,1]=4 60 B10R1.11 OCCC(c1ccco1)N 1P019ZEL [0,0,0,0,0,0|2,0,1]=3 61 B10R1.11 OCCC(c1cccs1)N 1P00FI10 [0,0,0,0,0,0|2,1,1]=4 62 B10R1.11 [N-]=[N+]=NC(=O)c1ccco1 1P01A8H8 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.11 [N-]=[N+]=NC(=O)c1cccs1 1P002A32 [0,0,0,0,0,0|3,1,0]=4 64 B10R1.11 [O-]C=CC(=O)c1ccco1 1P028EEP [0,0,0,0,0,0|1,0,2]=3 65 B9R1.11 BrCC(=O)c1ccc[nH]1 1P005CA3 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.11 BrCC(=O)c1ccco1 1P001NJG [1,0,0,0,0,0|1,0,0]=2 67 B9R1.11 BrCC(=O)c1cccs1 1P003H2I [1,0,0,0,0,0|1,1,0]=3 68 B9R1.11 BrCC(=O)c1ccon1 1P01DX6N [1,0,0,0,0,0|3,0,0]=4 69 B9R1.11 BrCC(=O)c1cscc1 1P001ETB [1,0,0,0,0,0|3,0,0]=4 70 B9R1.11 BrCC(=O)c1nccs1 1P00BZYW [1,0,0,0,0,0|2,1,0]=4 71 B9R1.11 CCC(=O)c1c[nH]nc1 1P01BA1Q [1,0,0,0,0,0|3,0,0]=4 72 B9R1.11 CCC(=O)c1cc[nH]n1 1P0282X4 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.11 CCC(=O)c1ccc[nH]1 1P003ID5 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.11 CCC(=O)c1ccco1 1P003ID4 [1,0,0,0,0,0|0,0,0]=1 75 B9R1.11 CCC(=O)c1cccs1 1P0012U6 [1,0,0,0,0,0|0,1,0]=2 76 B9R1.11 CCC(=O)c1cnc[nH]1 1P00BHRO [1,0,0,0,0,0|2,0,0]=3 77 B9R1.11 CCC(=O)c1cnco1 1P028798 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.11 CCC(=O)c1cocc1 1P00BHS8 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.11 CCC(=O)c1cocn1 1P028HDM [1,0,0,0,0,0|2,0,0]=3 80 B9R1.11 CCC(=O)c1ncc[nH]1 1P028BGR [1,0,0,0,0,0|2,0,0]=3 81 B9R1.11 CCC(=O)c1ncco1 1P028HER [1,0,0,0,0,0|1,0,0]=2 82 B9R1.11 CCC(=O)c1nccs1 1P003BQB [1,0,0,0,0,0|1,1,0]=3 83 B9R1.11 CCC(=O)c1nnc[nH]1 1P0287AH [1,0,0,0,0,0|3,0,0]=4 84 B9R1.11 CCC(c1ccco1)N 1P01ASY7 [1,0,0,0,0,0|1,0,1]=3 85 B9R1.11 CCC(c1cccs1)N 1P00J3T4 [1,0,0,0,0,0|1,1,1]=4 86 B9R1.11 CCC(c1cccs1)O 1P01DZQ6 [1,0,0,0,0,0|0,1,2]=4 87 B9R1.11 CC[C@@H](c1cccs1)N 1P01BGQU [1,0,0,0,0,0|1,1,1]=4 88 B9R1.11 CN=C(c1ccco1)Cl 1P00ECZR [1,0,0,0,0,0|2,0,0]=3 89 B9R1.11 CN=C(c1cccs1)Cl 1P00FCK1 [1,0,0,0,0,0|2,1,0]=4 90 B9R1.11 CNC(=O)c1c[nH]cn1 1P00DGEC [1,0,0,0,0,0|3,0,0]=4 91 B9R1.11 CNC(=O)c1cc[nH]n1 1P00JGME [1,0,0,0,0,0|3,0,0]=4 92 B9R1.11 CNC(=O)c1cccs1 1P00C8IU [1,0,0,0,0,0|1,1,0]=3 93 B9R1.11 CNC(=O)n1cccn1 1P028GXJ [1,0,0,0,0,0|3,0,0]=4 94 B9R1.11 CNC(c1ccco1)C 1P019MEE [1,0,0,0,0,0|2,0,1]=4 95 B9R1.11 COC(=O)C1=CCCO1 1P005HNO [1,0,0,0,0,0|1,0,2]=4 96 B9R1.11 COC(=O)c1c[nH]cc1 1P003S13 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.11 COC(=O)c1c[nH]cn1 1P0035OC [1,0,0,0,0,0|3,0,0]=4 98 B9R1.11 COC(=O)c1cc[nH]n1 1P003S12 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.11 COC(=O)c1ccc[nH]1 1P000J0Q [1,0,0,0,0,0|2,0,0]=3 100 B9R1.11 COC(=O)c1ccco1 1P003S4L [1,0,0,0,0,0|1,0,0]=2 101 B9R1.11 COC(=O)c1cccs1 1P003SJG [1,0,0,0,0,0|1,1,0]=3 102 B9R1.11 COC(=O)c1ccn[nH]1 1P0289ZM [1,0,0,0,0,0|3,0,0]=4 103 B9R1.11 COC(=O)c1ccno1 1P001N6B [1,0,0,0,0,0|2,0,0]=3 104 B9R1.11 COC(=O)c1ccns1 1P001QUW [1,0,0,0,0,0|2,1,0]=4 105 B9R1.11 COC(=O)c1ccon1 1P00BINX [1,0,0,0,0,0|3,0,0]=4 106 B9R1.11 COC(=O)c1ccsn1 1P01R884 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.11 COC(=O)c1cnco1 1P009C0L [1,0,0,0,0,0|2,0,0]=3 108 B9R1.11 COC(=O)c1cncs1 1P001L74 [1,0,0,0,0,0|2,1,0]=4 109 B9R1.11 COC(=O)c1cocc1 1P000WBX [1,0,0,0,0,0|3,0,0]=4 110 B9R1.11 COC(=O)c1cocn1 1P007UTI [1,0,0,0,0,0|3,0,0]=4 111 B9R1.11 COC(=O)c1cscc1 1P002LY4 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.11 COC(=O)c1cscn1 1P0035OH [1,0,0,0,0,0|3,0,0]=4 113 B9R1.11 COC(=O)c1ncc[nH]1 1P001ZA3 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.11 COC(=O)c1ncc[nH]1 1P01BVZR [1,0,0,0,0,0|3,0,0]=4 115 B9R1.11 COC(=O)c1ncco1 1P00CJ9J [1,0,0,0,0,0|2,0,0]=3 116 B9R1.11 COC(=O)c1nccs1 1P0035MY [1,0,0,0,0,0|2,1,0]=4 117 B9R1.11 CSC(=N)c1cccs1 1P00IB3G [1,0,0,0,0,0|2,1,0]=4 118 B9R1.11 CSC(=O)c1ccco1 1P0012UC [1,0,0,0,0,0|1,0,0]=2 119 B9R1.11 ClCC(=O)c1ccc[nH]1 1P00DIVX [1,0,0,0,0,0|2,0,0]=3 120 B9R1.11 ClCC(=O)c1ccco1 1P00DMAM [1,0,0,0,0,0|1,0,0]=2 121 B9R1.11 ClCC(=O)c1cccs1 1P002ZKT [1,0,0,0,0,0|1,1,0]=3 122 B9R1.11 ClCC(=O)c1ccns1 1P01C5EK [1,0,0,0,0,0|2,1,0]=4 123 B9R1.11 ClCC(=O)c1ccon1 1P00H6X3 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.11 ClCC(=O)c1ccsn1 1P028FED [1,0,0,0,0,0|3,0,0]=4 125 B9R1.11 ClCC(=O)c1cnco1 1P01EMGZ [1,0,0,0,0,0|2,0,0]=3 126 B9R1.11 ClCC(=O)c1cncs1 1P028UK9 [1,0,0,0,0,0|2,1,0]=4 127 B9R1.11 ClCC(=O)c1cocc1 1P00EKPA [1,0,0,0,0,0|3,0,0]=4 128 B9R1.11 ClCC(=O)c1cocn1 1P009KJD [1,0,0,0,0,0|3,0,0]=4 129 B9R1.11 ClCC(=O)c1cscn1 1P00DTQP [1,0,0,0,0,0|3,0,0]=4 130 B9R1.11 ClCC(=O)n1cccn1 1P00C2N8 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.11 ICC(=O)c1ccc[nH]1 1P01C1RM [1,0,0,0,0,0|2,0,0]=3 132 B9R1.11 NCC(=O)c1ccc[nH]1 1P027ZXO [1,0,0,0,0,0|2,0,0]=3 133 B9R1.11 NCC(=O)c1ccco1 1P0045RE [1,0,0,0,0,0|1,0,0]=2 134 B9R1.11 NCC(=O)c1ccsn1 1P027XBJ [1,0,0,0,0,0|3,0,0]=4 135 B9R1.11 NCC(=O)c1cscn1 1P028AIH [1,0,0,0,0,0|3,0,0]=4 136 B9R1.11 NCC(=O)c1nccs1 1P028BYG [1,0,0,0,0,0|2,1,0]=4 137 B9R1.11 NCC(=O)c1nccs1 1P028CE0 [1,0,0,0,0,0|2,1,0]=4 138 B9R1.11 NCC(c1ccco1)O 1P00C1QL [1,0,0,0,0,0|1,0,2]=4 139 B9R1.11 NNC(=O)c1ccc[nH]1 1P00DA8K [1,0,0,0,0,0|3,0,0]=4 140 B9R1.11 NNC(=O)c1ccco1 1P003R5U [1,0,0,0,0,0|2,0,0]=3 141 B9R1.11 NNC(=O)c1cccs1 1P003IEX [1,0,0,0,0,0|2,1,0]=4 142 B9R1.11 NNC(=O)c1cccs1 1P01AD5T [1,0,0,0,0,0|2,1,0]=4 143 B9R1.11 NNC(=O)c1cnco1 1P0046TI [1,0,0,0,0,0|3,0,0]=4 144 B9R1.11 O=CC(=O)c1ccco1 1P007UQS [1,0,0,0,0,0|1,0,1]=3 145 B9R1.11 O=CC(=O)c1cccs1 1P022B63 [1,0,0,0,0,0|1,1,1]=4 146 B9R1.11 OCC(=O)c1ccco1 1P0025D5 [1,0,0,0,0,0|1,0,0]=2 147 B9R1.11 OCC(c1ccco1)N 1P00BJSX [1,0,0,0,0,0|2,0,1]=4 148 B9R1.11 OC[C@H](c1ccco1)N 1P024G1T [1,0,0,0,0,0|2,0,1]=4 149 B9R1.11 OC[C@H](c1ccco1)O 1P001DDJ [1,0,0,0,0,0|1,0,2]=4 150 B9R1.11 ON=C(c1ccco1)N 1P019KZD [1,0,0,0,0,0|3,0,0]=4 151 B9R1.11 ONC(=O)c1ccco1 1P00B6L4 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.11 ONC(=O)c1cccs1 1P0025IK [1,0,0,0,0,0|2,1,0]=4 153 B9R1.11 O\N=C(/c1ccco1)\C 1P001KX4 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.11 [NH3+]CC(=O)c1cccs1 1P00FI1W [1,0,0,0,0,0|1,1,0]=3 155 B9R1.12 BrCCCc1cccs1 1P01BL7U [1,0,0,0,0,0|1,1,1]=4 156 B9R1.12 C#CCCc1ccco1 1P01XIDT [1,0,0,0,0,0|0,0,3]=4 157 B9R1.12 CCCCc1ccco1 1P003HAJ [1,0,0,0,0,0|0,0,1]=2 158 B9R1.12 CCCCc1cccs1 1P001DL3 [1,0,0,0,0,0|0,1,1]=3 159 B9R1.12 CCCCc1cnco1 1P00556R [1,0,0,0,0,0|1,0,1]=3 160 B9R1.12 CCCCc1cscc1 1P003JMD [1,0,0,0,0,0|2,0,1]=4 161 B9R1.12 CCCCc1ncc[nH]1 1P00DCX4 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.12 CCCCn1cccn1 1P00DSOY [1,0,0,0,0,0|2,0,1]=4 163 B9R1.12 CCNCc1ccco1 1P001KUX [1,0,0,0,0,0|1,0,1]=3 164 B9R1.12 CCNCc1ccco1 1P019NKP [1,0,0,0,0,0|1,0,1]=3 165 B9R1.12 CCNCc1cccs1 1P003TG0 [1,0,0,0,0,0|1,1,1]=4 166 B9R1.12 CCNCc1cccs1 1P019LNO [1,0,0,0,0,0|1,1,1]=4 167 B9R1.12 CCOCc1ccco1 1P0037LZ [1,0,0,0,0,0|1,0,1]=3 168 B9R1.12 CNCCc1cccs1 1P0083BL [1,0,0,0,0,0|1,1,1]=4 169 B9R1.12 COCCc1cccs1 1P0284DO [1,0,0,0,0,0|1,1,1]=4 170 B9R1.12 CSSCc1ccco1 1P003SGX [1,0,0,0,0,0|2,0,1]=4 171 B9R1.12 ICCCc1cccs1 1P01FSKP [1,0,0,0,0,0|1,1,1]=4 172 B9R1.12 N#CCCc1ccco1 1P019UDZ [1,0,0,0,0,0|1,0,2]=4 173 B9R1.12 NCCCc1ccco1 1P00DD6T [1,0,0,0,0,0|1,0,1]=3 174 B9R1.12 NCCCc1cccs1 1P00ELTB [1,0,0,0,0,0|1,1,1]=4 175 B9R1.12 NCCCc1ncco1 1P028613 [1,0,0,0,0,0|2,0,1]=4 176 B9R1.12 O=CC=Cc1ccco1 1P00IBGZ [1,0,0,0,0,0|1,0,2]=4 177 B9R1.12 O=CCCc1ccco1 1P024Z0F [1,0,0,0,0,0|1,0,2]=4 178 B9R1.12 O=C\C=C\c1ccco1 1P003CH6 [1,0,0,0,0,0|1,0,2]=4 179 B9R1.12 OCCCc1ccco1 1P01A4WN [1,0,0,0,0,0|1,0,1]=3 180 B9R1.12 OCCCc1cccs1 1P003II9 [1,0,0,0,0,0|1,1,1]=4 181 B9R1.12 OCCCc1ncco1 1P028P3G [1,0,0,0,0,0|2,0,1]=4 182 B9R1.12 [Pd]CC=CC1=CC=CC1 1P000X54 [1,0,0,0,0,0|2,0,1]=4 183 B11R1.15 Brc1ccc(o1)C(=O)CC#N 1P00GTLU [0,1,0,0,0,0|1,0,1]=3 184 B11R1.15 Brc1ccc(s1)C(=O)CC#N 1P00640M [0,1,0,0,0,0|1,1,1]=4 185 B11R1.15 CCCC(=O)c1ccc(s1)C 1P0050KA [0,1,0,0,0,0|0,1,0]=2 186 B11R1.15 CCCC(=O)c1ccc(s1)Cl 1P007GM8 [0,1,0,0,0,0|0,1,0]=2 187 B11R1.15 CCNC(=O)c1ccc(o1)Br 1P00DB8N [0,1,0,0,0,0|1,0,0]=2 188 B11R1.15 CCNC(=O)c1ccc(s1)Br 1P00GU58 [0,1,0,0,0,0|1,1,0]=3 189 B11R1.15 CCOC(=O)c1[nH]cc(c1)C 1P003QS1 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.15 CCOC(=O)c1[nH]cc(n1)C 1P00BZEX [0,1,0,0,0,0|3,0,0]=4 191 B11R1.15 CCOC(=O)c1[nH]nc(c1)C 1P00JMN0 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.15 CCOC(=O)c1c[nH]c(=O)o1 1P000G5O [0,1,0,0,0,0|2,0,0]=3 193 B11R1.15 CCOC(=O)c1c[nH]c(=O)s1 1P01FZ4V [0,1,0,0,0,0|2,1,0]=4 194 B11R1.15 CCOC(=O)c1c[nH]c(=S)s1 1P001LGA [0,1,0,0,0,0|2,1,0]=4 195 B11R1.15 CCOC(=O)c1c[nH]c(c1)C 1P006YAU [0,1,0,0,0,0|3,0,0]=4 196 B11R1.15 CCOC(=O)c1c[nH]c(c1)Cl 1P01JWKK [0,1,0,0,0,0|3,0,0]=4 197 B11R1.15 CCOC(=O)c1c[nH]c(n1)C 1P004LIO [0,1,0,0,0,0|3,0,0]=4 198 B11R1.15 CCOC(=O)c1c[nH]c(n1)S 1P00ED36 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.15 CCOC(=O)c1cc(=O)[nH][nH]1 1P00D72E [0,1,0,0,0,0|3,0,0]=4 200 B11R1.15 CCOC(=O)c1cc([nH]n1)Br 1P001AYD [0,1,0,0,0,0|3,0,0]=4 201 B11R1.15 CCOC(=O)c1cc([nH]n1)Cl 1P0014DD [0,1,0,0,0,0|3,0,0]=4 202 B11R1.15 CCOC(=O)c1cc([nH]n1)F 1P001H7R [0,1,0,0,0,0|3,0,0]=4 203 B11R1.15 CCOC(=O)c1cc([nH]n1)I 1P009I4W [0,1,0,0,0,0|3,0,0]=4 204 B11R1.15 CCOC(=O)c1cc([nH]n1)N 1P003QSS [0,1,0,0,0,0|3,0,0]=4 205 B11R1.15 CCOC(=O)c1cc([nH]n1)O 1P0038UU [0,1,0,0,0,0|3,0,0]=4 206 B11R1.15 CCOC(=O)c1cc(c[nH]1)Br 1P003QQJ [0,1,0,0,0,0|2,0,0]=3 207 B11R1.15 CCOC(=O)c1cc(c[nH]1)N 1P006347 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.15 CCOC(=O)c1cc(c[nH]1)N 1P019THB [0,1,0,0,0,0|2,0,0]=3 209 B11R1.15 CCOC(=O)c1cc(cs1)Br 1P00F5LY [0,1,0,0,0,0|1,1,0]=3 210 B11R1.15 CCOC(=O)c1cc(n[nH]1)Br 1P002HM7 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.15 CCOC(=O)c1cc(n[nH]1)N 1P002HM8 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.15 CCOC(=O)c1cc(no1)Br 1P0038TB [0,1,0,0,0,0|2,0,0]=3 213 B11R1.15 CCOC(=O)c1cc(no1)N 1P0029GM [0,1,0,0,0,0|2,0,0]=3 214 B11R1.15 CCOC(=O)c1cc(on1)Br 1P01EGK5 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.15 CCOC(=O)c1cc(on1)Cl 1P00VSZU [0,1,0,0,0,0|3,0,0]=4 216 B11R1.15 CCOC(=O)c1cc(on1)I 1P01C1O0 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.15 CCOC(=O)c1cc(on1)N 1P00388P [0,1,0,0,0,0|3,0,0]=4 218 B11R1.15 CCOC(=O)c1ccc([nH]1)Br 1P00374L [0,1,0,0,0,0|2,0,0]=3 219 B11R1.15 CCOC(=O)c1ccc([nH]1)C 1P0034RD [0,1,0,0,0,0|2,0,0]=3 220 B11R1.15 CCOC(=O)c1ccc([nH]1)N 1P005B8O [0,1,0,0,0,0|2,0,0]=3 221 B11R1.15 CCOC(=O)c1ccc(o1)Br 1P003QT1 [0,1,0,0,0,0|1,0,0]=2 222 B11R1.15 CCOC(=O)c1ccc(o1)C 1P001CFM [0,1,0,0,0,0|1,0,0]=2 223 B11R1.15 CCOC(=O)c1ccc(s1)Br 1P003QT2 [0,1,0,0,0,0|1,1,0]=3 224 B11R1.15 CCOC(=O)c1ccc(s1)C 1P00F09P [0,1,0,0,0,0|1,1,0]=3 225 B11R1.15 CCOC(=O)c1ccc(s1)Cl 1P00EA6F [0,1,0,0,0,0|1,1,0]=3 226 B11R1.15 CCOC(=O)c1ccc(s1)N 1P01M5PF [0,1,0,0,0,0|1,1,0]=3 227 B11R1.15 CCOC(=O)c1ccn(n1)C 1P00H1FR [0,1,0,0,0,0|3,0,0]=4 228 B11R1.15 CCOC(=O)c1cnc([nH]1)Br 1P00FHLN [0,1,0,0,0,0|3,0,0]=4 229 B11R1.15 CCOC(=O)c1cnc([nH]1)Cl 1P019GV3 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.15 CCOC(=O)c1cnc([nH]1)Cl 1P01FLEV [0,1,0,0,0,0|3,0,0]=4 231 B11R1.15 CCOC(=O)c1cnc([nH]1)N 1P001M9T [0,1,0,0,0,0|3,0,0]=4 232 B11R1.15 CCOC(=O)c1cnc(o1)Br 1P0039GA [0,1,0,0,0,0|2,0,0]=3 233 B11R1.15 CCOC(=O)c1cnc(o1)Cl 1P004JXY [0,1,0,0,0,0|2,0,0]=3 234 B11R1.15 CCOC(=O)c1cnc(o1)I 1P01K0TT [0,1,0,0,0,0|2,0,0]=3 235 B11R1.15 CCOC(=O)c1cnc(o1)N 1P000AEH [0,1,0,0,0,0|2,0,0]=3 236 B11R1.15 CCOC(=O)c1cnc(s1)Br 1P0035B1 [0,1,0,0,0,0|2,1,0]=4 237 B11R1.15 CCOC(=O)c1cnc(s1)C 1P005H7L [0,1,0,0,0,0|2,1,0]=4 238 B11R1.15 CCOC(=O)c1cnc(s1)Cl 1P0052SR [0,1,0,0,0,0|2,1,0]=4 239 B11R1.15 CCOC(=O)c1cnc(s1)N 1P003QK4 [0,1,0,0,0,0|2,1,0]=4 240 B11R1.15 CCOC(=O)c1coc(=N)[nH]1 1P00260G [0,1,0,0,0,0|3,0,0]=4 241 B11R1.15 CCOC(=O)c1coc(c1)C 1P002TYD [0,1,0,0,0,0|3,0,0]=4 242 B11R1.15 CCOC(=O)c1coc(n1)Br 1P003QKB [0,1,0,0,0,0|3,0,0]=4 243 B11R1.15 CCOC(=O)c1coc(n1)C 1P0006QN [0,1,0,0,0,0|3,0,0]=4 244 B11R1.15 CCOC(=O)c1coc(n1)Cl 1P00D8GJ [0,1,0,0,0,0|3,0,0]=4 245 B11R1.15 CCOC(=O)c1coc(n1)I 1P00HC8G [0,1,0,0,0,0|3,0,0]=4 246 B11R1.15 CCOC(=O)c1csc(=S)[nH]1 1P00E7X4 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.15 CCOC(=O)c1csc(c1)Br 1P007UUF [0,1,0,0,0,0|3,0,0]=4 248 B11R1.15 CCOC(=O)c1csc(c1)Cl 1P01DMUB [0,1,0,0,0,0|3,0,0]=4 249 B11R1.15 CCOC(=O)c1csc(c1)I 1P01BSGV [0,1,0,0,0,0|3,0,0]=4 250 B11R1.15 CCOC(=O)c1csc(n1)Br 1P000277 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.15 CCOC(=O)c1csc(n1)C 1P003QLL [0,1,0,0,0,0|3,0,0]=4 252 B11R1.15 CCOC(=O)c1csc(n1)Cl 1P0038D6 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.15 CCOC(=O)c1csc(n1)F 1P007YRI [0,1,0,0,0,0|3,0,0]=4 254 B11R1.15 CCOC(=O)c1csc(n1)I 1P00G9TI [0,1,0,0,0,0|3,0,0]=4 255 B11R1.15 CCOC(=O)c1csc(n1)N 1P0039R2 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.15 CCOC(=O)c1csc(n1)N 1P003QJW [0,1,0,0,0,0|3,0,0]=4 257 B11R1.15 CCOC(=O)c1csc(n1)N 1P01A76Y [0,1,0,0,0,0|3,0,0]=4 258 B11R1.15 CCOC(=O)c1csc(n1)O 1P01A56G [0,1,0,0,0,0|3,0,0]=4 259 B11R1.15 CCOC(=O)c1n[nH]c(c1)C 1P0035BM [0,1,0,0,0,0|3,0,0]=4 260 B11R1.15 CCOC(=O)c1nc(c[nH]1)N 1P00GACH [0,1,0,0,0,0|3,0,0]=4 261 B11R1.15 CCOC(=O)c1nc(c[nH]1)N 1P01BY2E [0,1,0,0,0,0|3,0,0]=4 262 B11R1.15 CCOC(=O)c1nc(co1)Br 1P024U13 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.15 CCOC(=O)c1nc(cs1)Br 1P0037CC [0,1,0,0,0,0|2,1,0]=4 264 B11R1.15 CCOC(=O)c1nc(no1)Br 1P0015Q7 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.15 CCOC(=O)c1ncc([nH]1)Br 1P005XAM [0,1,0,0,0,0|3,0,0]=4 266 B11R1.15 CCOC(=O)c1ncc([nH]1)I 1P0024BD [0,1,0,0,0,0|3,0,0]=4 267 B11R1.15 CCOC(=O)c1ncc(o1)C 1P00I6V6 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.15 CCOC(=O)c1ncc(s1)Br 1P008ZJ3 [0,1,0,0,0,0|2,1,0]=4 269 B11R1.15 CCOC(=O)c1ncc(s1)Cl 1P028FZ5 [0,1,0,0,0,0|2,1,0]=4 270 B11R1.15 CCOC(=O)c1ncc(s1)I 1P01C72H [0,1,0,0,0,0|2,1,0]=4 271 B11R1.15 CCOC(=O)c1ncc(s1)N 1P0001GS [0,1,0,0,0,0|2,1,0]=4 272 B11R1.15 CCOC(=O)c1ncc(s1)N 1P01B8CB [0,1,0,0,0,0|2,1,0]=4 273 B11R1.15 CCOC(=O)c1ncn(c1)C 1P003QHI [0,1,0,0,0,0|3,0,0]=4 274 B11R1.15 CCOC(=O)c1nnc(o1)Br 1P00H5GX [0,1,0,0,0,0|3,0,0]=4 275 B11R1.15 CCOC(=O)c1nnc(o1)C 1P003QTG [0,1,0,0,0,0|3,0,0]=4 276 B11R1.15 CCOC(=O)c1nnc(o1)Cl 1P01FLZZ [0,1,0,0,0,0|3,0,0]=4 277 B11R1.15 CCOC(=O)c1nnc(o1)N 1P00DDQJ [0,1,0,0,0,0|3,0,0]=4 278 B11R1.15 CCOC(=O)c1noc(c1)C 1P0035CE [0,1,0,0,0,0|3,0,0]=4 279 B11R1.15 CCOC(=O)c1nsc(=O)o1 1P00F5CQ [0,1,0,0,0,0|3,0,0]=4 280 B11R1.15 CCOC(=O)c1occ(n1)C 1P006U1G [0,1,0,0,0,0|2,0,0]=3 281 B11R1.15 CCOC(=O)c1onc(c1)C 1P00IBNX [0,1,0,0,0,0|2,0,0]=3 282 B11R1.15 CCOC(=O)c1onc(n1)C 1P0076I2 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.15 CCOC(=O)c1scc(c1)C 1P009Z38 [0,1,0,0,0,0|1,1,0]=3 284 B11R1.15 CCOC(=O)c1scc(n1)C 1P005KOR [0,1,0,0,0,0|2,1,0]=4 285 B11R1.15 COCC(c1ccc(o1)C)N 1P019TYA [0,1,0,0,0,0|2,0,1]=4 286 B11R1.15 Cc1ccc(o1)C(=O)CC#N 1P01BF28 [0,1,0,0,0,0|1,0,1]=3 287 B11R1.15 Cc1ccc(o1)[C@@H](CCO)N 1P01XCAX [0,1,0,0,0,0|2,0,1]=4 288 B11R1.15 Cc1ccc(s1)C(=O)CC#N 1P01ABK5 [0,1,0,0,0,0|1,1,1]=4 289 B11R1.15 Clc1ccc(s1)C(=O)CC#N 1P00FGVV [0,1,0,0,0,0|1,1,1]=4 290 B11R1.15 [N-]=[N+]=NC(=O)c1ccc(o1)C 1P01AB4D [0,1,0,0,0,0|3,0,0]=4 291 B11R1.29 C=CCCC(=O)c1ccco1 1P01BDI0 [0,1,0,0,0,0|0,0,1]=2 292 B11R1.29 C=CCOC(=O)c1ccco1 1P003O66 [0,1,0,0,0,0|0,0,2]=3 293 B11R1.29 CCCCC(=O)c1c[nH]cn1 1P02920O [0,1,0,0,0,0|2,0,0]=3 294 B11R1.29 CNCCC(=O)c1cccs1 1P00EF06 [0,1,0,0,0,0|0,1,0]=2 295 B11R1.29 CNCCC(c1cccs1)O 1P000D6M [0,1,0,0,0,0|0,1,2]=4 296 B11R1.29 CNCC[C@@H](c1cccs1)O 1P000D6N [0,1,0,0,0,0|0,1,2]=4 297 B11R1.29 CNCC[C@H](c1cccs1)O 1P000D6L [0,1,0,0,0,0|0,1,2]=4 298 B11R1.29 COCCC(c1ccco1)N 1P01A5YQ [0,1,0,0,0,0|1,0,1]=3 299 B11R1.29 N#CCCC(=O)c1ccco1 1P0027KX [0,1,0,0,0,0|0,0,1]=2 300 B11R1.29 NCCCC(=O)c1cccs1 1P0281O4 [0,1,0,0,0,0|0,1,0]=2 301 B11R1.29 NCCNC(=O)c1ccco1 1P00G3IC [0,1,0,0,0,0|1,0,0]=2 302 B11R1.29 NCCNC(=O)c1cccs1 1P00ELTH [0,1,0,0,0,0|1,1,0]=3 303 B11R1.29 NCCNC(=O)c1cccs1 1P01EIKD [0,1,0,0,0,0|1,1,0]=3 304 B11R1.29 NCCNC(=O)c1ccn[nH]1 1P028GQE [0,1,0,0,0,0|3,0,0]=4 305 B11R1.29 NCCNC(=O)c1ccno1 1P01A4QQ [0,1,0,0,0,0|2,0,0]=3 306 B11R1.29 NCCNC(=O)c1cocc1 1P019XIW [0,1,0,0,0,0|3,0,0]=4 307 B11R1.31 CNC(C(=O)c1cocc1)C 1P028S87 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.31 COC(=O)C(=O)c1ccc[nH]1 1P00IA5B [0,1,0,0,0,0|2,0,1]=4 309 B11R1.31 COC(=O)C(=O)c1cccs1 1P00I5JP [0,1,0,0,0,0|1,1,1]=4 310 B11R1.31 CON(C(=O)c1ccc[nH]1)C 1P00CYGN [0,1,0,0,0,0|3,0,0]=4 311 B11R1.31 CON(C(=O)c1ccco1)C 1P006QAB [0,1,0,0,0,0|2,0,0]=3 312 B11R1.33 CCNS(=O)(=O)c1cccs1 1P00D5U2 [0,1,0,0,0,0|2,1,0]=4 313 B11R1.33 NCCS(=O)(=O)c1cccs1 1P01BHAO [0,1,0,0,0,0|2,1,0]=4 314 B11R1.77 CC(=O)CC(=O)c1ccco1 1P003DB4 [0,1,0,0,0,0|0,0,1]=2 315 B11R1.77 CC(=O)CC(=O)c1nccs1 1P01A2NS [0,1,0,0,0,0|1,1,1]=4 316 B11R1.77 CC(CC(=O)c1ccco1)N 1P01A04X [0,1,0,0,0,0|0,0,0]=1 317 B11R1.77 CC(CC(=O)c1cccs1)C 1P019WQ8 [0,1,0,0,0,0|0,1,0]=2 318 B11R1.77 CC(CC(=O)c1cccs1)N 1P01A2JG [0,1,0,0,0,0|0,1,0]=2 319 B11R1.77 CC(CC(c1ccco1)O)N 1P01A05V [0,1,0,0,0,0|0,0,2]=3 320 B11R1.77 CC(CC(c1cccs1)N)C 1P018OPW [0,1,0,0,0,0|1,1,1]=4 321 B11R1.77 CC(CC(c1cccs1)O)N 1P01A2FF [0,1,0,0,0,0|0,1,2]=4 322 B11R1.77 CC(N=C(c1cccs1)Cl)C 1P00IFNU [0,1,0,0,0,0|2,1,0]=4 323 B11R1.77 CN(CC(c1ccco1)N)C 1P01BFWX [0,1,0,0,0,0|2,0,1]=4 324 B11R1.199 CCCC(=O)c1cscc1C 1P0284K2 [0,1,0,0,0,0|2,0,0]=3 325 B11R1.199 CCOC(=O)c1[nH]ccc1C 1P00CB7F [0,1,0,0,0,0|2,0,0]=3 326 B11R1.199 CCOC(=O)c1[nH]ccc1F 1P001Y9M [0,1,0,0,0,0|2,0,0]=3 327 B11R1.199 CCOC(=O)c1[nH]ccc1N 1P0038LX [0,1,0,0,0,0|2,0,0]=3 328 B11R1.199 CCOC(=O)c1[nH]ccc1N 1P003QNX [0,1,0,0,0,0|2,0,0]=3 329 B11R1.199 CCOC(=O)c1[nH]ncc1C 1P00G60A [0,1,0,0,0,0|3,0,0]=4 330 B11R1.199 CCOC(=O)c1c(Cl)cn[nH]1 1P0097FH [0,1,0,0,0,0|3,0,0]=4 331 B11R1.199 CCOC(=O)c1c(N)cn[nH]1 1P009KLA [0,1,0,0,0,0|3,0,0]=4 332 B11R1.199 CCOC(=O)c1c(N)nc[nH]1 1P0038ME [0,1,0,0,0,0|3,0,0]=4 333 B11R1.199 CCOC(=O)c1c[nH]cc1C 1P003QRZ [0,1,0,0,0,0|3,0,0]=4 334 B11R1.199 CCOC(=O)c1cc[nH]c1C 1P003QLK [0,1,0,0,0,0|3,0,0]=4 335 B11R1.199 CCOC(=O)c1cc[nH]c1N 1P003AGD [0,1,0,0,0,0|3,0,0]=4 336 B11R1.199 CCOC(=O)c1cccn1C 1P006XKT [0,1,0,0,0,0|2,0,0]=3 337 B11R1.199 CCOC(=O)c1cccn1N 1P000HSI [0,1,0,0,0,0|2,0,0]=3 338 B11R1.199 CCOC(=O)c1ccnn1C 1P003AR9 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.199 CCOC(=O)c1ccoc1C 1P002XJG [0,1,0,0,0,0|3,0,0]=4 340 B11R1.199 CCOC(=O)c1ccsc1Br 1P003A7O [0,1,0,0,0,0|3,0,0]=4 341 B11R1.199 CCOC(=O)c1ccsc1C 1P0038NZ [0,1,0,0,0,0|3,0,0]=4 342 B11R1.199 CCOC(=O)c1ccsc1N 1P003QK5 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.199 CCOC(=O)c1cncn1C 1P003QHN [0,1,0,0,0,0|3,0,0]=4 344 B11R1.199 CCOC(=O)c1cncn1N 1P003QH3 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.199 CCOC(=O)c1cscc1Br 1P00I4W8 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.199 CCOC(=O)c1n[nH]cc1Br 1P00ECWU [0,1,0,0,0,0|3,0,0]=4 347 B11R1.199 CCOC(=O)c1n[nH]cc1C 1P003QS4 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.199 CCOC(=O)c1n[nH]cc1F 1P00BU32 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.199 CCOC(=O)c1n[nH]cc1I 1P0027OE [0,1,0,0,0,0|3,0,0]=4 350 B11R1.199 CCOC(=O)c1n[nH]cc1N 1P003A5L [0,1,0,0,0,0|3,0,0]=4 351 B11R1.199 CCOC(=O)c1nc[nH]c1Br 1P00IIR4 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.199 CCOC(=O)c1nc[nH]c1C 1P0037LO [0,1,0,0,0,0|3,0,0]=4 353 B11R1.199 CCOC(=O)c1nc[nH]c1Cl 1P00ID6D [0,1,0,0,0,0|3,0,0]=4 354 B11R1.199 CCOC(=O)c1nc[nH]c1F 1P00D1L4 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.199 CCOC(=O)c1nc[nH]c1N 1P008YKJ [0,1,0,0,0,0|3,0,0]=4 356 B11R1.199 CCOC(=O)c1nccn1C 1P003QHH [0,1,0,0,0,0|3,0,0]=4 357 B11R1.199 CCOC(=O)c1ncoc1Br 1P021RCE [0,1,0,0,0,0|3,0,0]=4 358 B11R1.199 CCOC(=O)c1ncoc1C 1P00CKGJ [0,1,0,0,0,0|3,0,0]=4 359 B11R1.199 CCOC(=O)c1ncsc1Br 1P003QYK [0,1,0,0,0,0|3,0,0]=4 360 B11R1.199 CCOC(=O)c1ncsc1C 1P00EAGC [0,1,0,0,0,0|3,0,0]=4 361 B11R1.199 CCOC(=O)c1ncsc1Cl 1P00CJBU [0,1,0,0,0,0|3,0,0]=4 362 B11R1.199 CCOC(=O)c1ncsc1I 1P00H3A5 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.199 CCOC(=O)c1ncsc1N 1P002I7C [0,1,0,0,0,0|3,0,0]=4 364 B11R1.199 CCOC(=O)c1nocc1Br 1P01ELS1 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.199 CCOC(=O)c1nocc1C 1P00CB82 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.199 CCOC(=O)c1nocc1Cl 1P02811J [0,1,0,0,0,0|3,0,0]=4 367 B11R1.199 CCOC(=O)c1nocc1N 1P027XRI [0,1,0,0,0,0|3,0,0]=4 368 B11R1.199 CCOC(=O)c1occc1Br 1P00CMKF [0,1,0,0,0,0|1,0,0]=2 369 B11R1.199 CCOC(=O)c1occc1C 1P01C62Z [0,1,0,0,0,0|1,0,0]=2 370 B11R1.199 CCOC(=O)c1occc1N 1P01KWJY [0,1,0,0,0,0|1,0,0]=2 371 B11R1.199 CCOC(=O)c1ocnc1Br 1P000P9I [0,1,0,0,0,0|2,0,0]=3 372 B11R1.199 CCOC(=O)c1ocnc1C 1P002A70 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.199 CCOC(=O)c1sccc1N 1P007IW3 [0,1,0,0,0,0|1,1,0]=3 374 B11R1.199 CCOC(=O)c1scnc1Br 1P007K2N [0,1,0,0,0,0|2,1,0]=4 375 B11R1.199 CCOC(=O)c1scnc1C 1P003A59 [0,1,0,0,0,0|2,1,0]=4 376 B11R1.199 CCOC(=O)c1scnc1N 1P0039E7 [0,1,0,0,0,0|2,1,0]=4 377 B11R1.199 COCC(=O)c1ccnn1C 1P008XKV [0,1,0,0,0,0|3,0,0]=4 378 B11R1.199 N#CCC(=O)c1cccn1C 1P00593E [0,1,0,0,0,0|2,0,1]=4 379 B11R1.199 N#CCC(=O)c1occc1C 1P01ABCU [0,1,0,0,0,0|1,0,1]=3 380 B11R1.199 N#CCC(=O)c1sccc1Br 1P01C5YV [0,1,0,0,0,0|1,1,1]=4 381 B11R1.199 N#CCC(=O)c1sccc1C 1P019VBX [0,1,0,0,0,0|1,1,1]=4 382 B9R0.5 CCOC(=O)\C=C\C=C\C 1P0035DI [0,0,1,0,0,0|2,0,0]=3 383 B9R0.5 OCC\C=C\C(=O)OCC 1P000UT3 [0,0,1,0,0,0|1,0,2]=4 384 B9R0.35 CCCC(=O)C(=O)OCC 1P00DEHV [0,0,1,0,0,0|1,0,2]=4 385 B9R0.35 CCOC(=O)C(CC=C)O 1P001QAL [0,0,1,0,0,0|1,0,2]=4 386 B9R0.35 CCOC(=O)[C@@H](CC=C)O 1P0284T2 [0,0,1,0,0,0|1,0,2]=4 387 B9R0.35 CCOC(=O)[C@H](CC=C)O 1P007YVC [0,0,1,0,0,0|1,0,2]=4 388 B9R0.35 CCOC(=O)\C(=C\C=C)\C 1P028IG2 [0,0,1,0,0,0|2,0,0]=3 389 B11R2.2 C1=C[C-](C=C1)C2=CCCC2 1P0017ZL [0,0,0,1,0,0|2,0,1]=4 390 B11R2.2 C1CN=C(C1)c2ccc[nH]2 1P0003JK [0,0,0,1,0,0|2,0,0]=3 391 B11R2.2 C1CN=C(N1)c2cccs2 1P00DCEN [0,0,0,1,0,0|2,1,0]=4 392 B11R2.2 C1CNC(C1)c2ccc[nH]2 1P00FA8Q [0,0,0,1,0,0|2,0,1]=4 393 B11R2.2 C1CNC(C1)c2cccs2 1P00IGHF [0,0,0,1,0,0|1,1,1]=4 394 B11R2.2 C1CNC(C1)c2ncco2 1P027WA7 [0,0,0,1,0,0|2,0,1]=4 395 B11R2.2 C1COC(C1)c2cnco2 1P0285PG [0,0,0,1,0,0|1,0,2]=4 396 B11R2.2 C1CSC(N1)c2ccco2 1P00D9TN [0,0,0,1,0,0|1,1,1]=4 397 B11R2.2 C1NCC(=C1)c2cccs2 1P02852S [0,0,0,1,0,0|2,1,0]=4 398 B11R2.2 C1NCC(C1)c2ccco2 1P00VTYD [0,0,0,1,0,0|2,0,1]=4 399 B11R2.2 C1NCC(C1)c2ccco2 1P018LNX [0,0,0,1,0,0|2,0,1]=4 400 B11R2.32 OC[C@@H]1C[C@H]1c2ccco2 1P0285Y9 [0,0,0,1,0,0|2,0,1]=4 401 B11R2.50 CC1CC1(N)c2cccs2 1P027WPF [0,0,0,1,0,0|1,1,1]=4 402 B11R2.57 NC1(CCC1)c2ncco2 1P0281HF [0,0,0,1,0,0|2,0,1]=4 403 B11R2.106 CC1=NCCc2c1scc2 1P01DX75 [0,0,0,1,0,0|2,1,0]=4 404 B11R2.106 NC1CCCc2c1occ2 1P028INR [0,0,0,1,0,0|1,0,1]=3 405 B11R2.106 NC1CCCc2c1scc2 1P01DWZ1 [0,0,0,1,0,0|1,1,1]=4 406 B11R2.106 O=C1CCCC2=C1CCO2 1P027UF2 [0,0,0,1,0,0|2,0,1]=4 407 B11R2.106 O=C1CCCc2c1[nH]cc2 1P00BHWP [0,0,0,1,0,0|1,0,0]=2 408 B11R2.106 O=C1CCCc2c1[nH]nc2 1P019ZEK [0,0,0,1,0,0|2,0,0]=3 409 B11R2.106 O=C1CCCc2c1[nH]nn2 1P0285JA [0,0,0,1,0,0|3,0,0]=4 410 B11R2.106 O=C1CCCc2c1c[nH]c2 1P000AFJ [0,0,0,1,0,0|2,0,0]=3 411 B11R2.106 O=C1CCCc2c1c[nH]n2 1P00H32U [0,0,0,1,0,0|3,0,0]=4 412 B11R2.106 O=C1CCCc2c1cc[nH]2 1P0013ZY [0,0,0,1,0,0|2,0,0]=3 413 B11R2.106 O=C1CCCc2c1cco2 1P001Y8L [0,0,0,1,0,0|2,0,0]=3 414 B11R2.106 O=C1CCCc2c1ccs2 1P003NHK [0,0,0,1,0,0|2,0,0]=3 415 B11R2.106 O=C1CCCc2c1cn[nH]2 1P00DLRW [0,0,0,1,0,0|3,0,0]=4 416 B11R2.106 O=C1CCCc2c1cno2 1P003NHL [0,0,0,1,0,0|3,0,0]=4 417 B11R2.106 O=C1CCCc2c1nc[nH]2 1P01H9OW [0,0,0,1,0,0|2,0,0]=3 418 B11R2.106 O=C1CCCc2c1nns2 1P027TVL [0,0,0,1,0,0|3,0,0]=4 419 B11R2.106 O=C1CCCc2c1occ2 1P007DRM [0,0,0,1,0,0|0,0,0]=1 420 B11R2.106 O=C1CCCc2c1scc2 1P001ET9 [0,0,0,1,0,0|0,1,0]=2 421 B11R2.106 O=C1CCCc2c1scn2 1P00II5C [0,0,0,1,0,0|1,1,0]=3 422 B11R2.106 O=C1CCCn2c1ccc2 1P00DJW3 [0,0,0,1,0,0|1,0,0]=2 423 B11R2.106 O=C1CCCn2c1ccn2 1P002B20 [0,0,0,1,0,0|2,0,0]=3 424 B11R2.106 O=C1CCCn2c1cnc2 1P00BYAO [0,0,0,1,0,0|2,0,0]=3 425 B11R2.106 O=C1CCCn2c1ncc2 1P00DMD1 [0,0,0,1,0,0|2,0,0]=3 426 B11R2.106 O=C1CCSc2c1ccs2 1P00G8RM [0,0,0,1,0,0|3,0,0]=4 427 B11R2.106 O=C1CSCc2c1cco2 1P0061K5 [0,0,0,1,0,0|3,0,0]=4 428 B11R2.106 O=C1NCCc2c1[nH]cc2 1P024I8X [0,0,0,1,0,0|2,0,0]=3 429 B11R2.106 O=C1NCCc2c1[nH]cn2 1P01B7QY [0,0,0,1,0,0|3,0,0]=4 430 B11R2.106 O=C1NCCc2c1[nH]nc2 1P01DR8O [0,0,0,1,0,0|3,0,0]=4 431 B11R2.106 O=C1NCCc2c1cc[nH]2 1P00FGXM [0,0,0,1,0,0|3,0,0]=4 432 B11R2.106 O=C1NCCc2c1ccs2 1P00FEP6 [0,0,0,1,0,0|3,0,0]=4 433 B11R2.106 O=C1NCCc2c1nco2 1P028V8C [0,0,0,1,0,0|3,0,0]=4 434 B11R2.106 O=C1NCCc2c1scc2 1P001KIO [0,0,0,1,0,0|1,1,0]=3 435 B11R2.106 O=C1NCCn2c1ccc2 1P00DL6H [0,0,0,1,0,0|2,0,0]=3 436 B11R2.106 O=C1NCCn2c1ccn2 1P006PS7 [0,0,0,1,0,0|3,0,0]=4 437 B11R2.106 O=C1NCCn2c1cnc2 1P01BIQ6 [0,0,0,1,0,0|3,0,0]=4 438 B11R2.106 O=C1NCCn2c1ncc2 1P00FTIN [0,0,0,1,0,0|3,0,0]=4 439 B11R2.106 O=C1OCCc2c1[nH]cc2 1P01A1M4 [0,0,0,1,0,0|2,0,0]=3 440 B11R2.106 O=C1OCCc2c1scc2 1P00BHZ7 [0,0,0,1,0,0|1,1,0]=3 441 B11R2.106 O=c1[nH]ccc2c1occ2 1P00567W [0,0,0,1,0,0|1,0,2]=4 442 B11R2.106 O=c1[nH]cnc2c1occ2 1P006PXD [0,0,0,1,0,0|2,0,1]=4 443 B11R2.106 O=c1[nH]ncc2c1occ2 1P01BQ2F [0,0,0,1,0,0|2,0,1]=4 444 B11R2.202 NC1CC(=O)c2c1ccs2 1P007VP8 [0,0,0,1,0,0|1,1,0]=3 445 B11R2.202 O=C1CC(n2c1ncc2)C 1P01ANRR [0,0,0,1,0,0|2,0,0]=3 446 B11R2.202 O=C1CC(n2c1ncn2)C 1P01ANOW [0,0,0,1,0,0|3,0,0]=4 447 B11R2.1031 NC(c1cccs1)C2CC2 1P00DLZA [0,0,0,1,0,0|1,1,1]=4 448 B11R2.1031 O=C(c1[nH]cnn1)C2CC2 1P01DVV2 [0,0,0,1,0,0|3,0,0]=4 449 B11R2.1031 O=C(c1c[nH]nc1)C2CC2 1P028S94 [0,0,0,1,0,0|3,0,0]=4 450 B11R2.1031 O=C(c1ccco1)C2CC2 1P01JO1C [0,0,0,1,0,0|0,0,0]=1 451 B11R2.1031 O=C(c1cccs1)C2CC2 1P003PNL [0,0,0,1,0,0|0,1,0]=2 452 B11R2.1031 O=C(c1nccs1)C2CC2 1P01FEK7 [0,0,0,1,0,0|1,1,0]=3 453 B9R1.73 CCOC(=O)C1=CCC1 1P018COL [0,0,0,0,1,0|1,0,2]=4 454 B11R1.16 C=CCC(=O)c1ccccc1 1P00F3VL [0,0,0,0,0,1|1,0,2]=4 455 B11R1.16 CC#CC(=O)c1ccccc1 1P00FHQS [0,0,0,0,0,1|1,0,2]=4 456 B11R1.16 CC=CC(=O)c1ccccc1 1P003F2O [0,0,0,0,0,1|1,0,2]=4 457 B11R1.16 CCCC(=O)c1ccccc1 1P003P38 [0,0,0,0,0,1|1,0,0]=2 458 B11R1.16 CCCC(=O)c1ccccn1 1P002M7D [0,0,0,0,0,1|1,0,0]=2 459 B11R1.16 CCCC(=O)c1cccnc1 1P00ARKR [0,0,0,0,0,1|1,0,0]=2 460 B11R1.16 CCCC(=O)c1ccncc1 1P00ARKS [0,0,0,0,0,1|1,0,0]=2 461 B11R1.16 CCCC(c1ccccc1)Br 1P028J5S [0,0,0,0,0,1|2,0,1]=4 462 B11R1.16 CCCC(c1ccccc1)N 1P007LFH [0,0,0,0,0,1|2,0,1]=4 463 B11R1.16 CCCC(c1ccccc1)N 1P00J1NH [0,0,0,0,0,1|2,0,1]=4 464 B11R1.16 CCCC(c1ccccc1)O 1P003F2B [0,0,0,0,0,1|1,0,2]=4 465 B11R1.16 CCCC(c1ccccn1)C 1P01EXTY [0,0,0,0,0,1|2,0,1]=4 466 B11R1.16 CCCC(c1ccccn1)N 1P006PDX [0,0,0,0,0,1|2,0,1]=4 467 B11R1.16 CCCC(c1ccccn1)O 1P028Z4O [0,0,0,0,0,1|1,0,2]=4 468 B11R1.16 CCCC(c1cccnc1)N 1P00IGO1 [0,0,0,0,0,1|2,0,1]=4 469 B11R1.16 CCCC(c1ccncc1)N 1P0094A8 [0,0,0,0,0,1|2,0,1]=4 470 B11R1.16 CCCC(c1ccncc1)N 1P01DUNN [0,0,0,0,0,1|2,0,1]=4 471 B11R1.16 CCCC(c1ncccn1)N 1P028L7L [0,0,0,0,0,1|2,0,1]=4 472 B11R1.16 CCNC(=O)c1ccccc1 1P00EFY2 [0,0,0,0,0,1|2,0,0]=3 473 B11R1.16 CCNC(=O)c1cccnc1 1P003TH9 [0,0,0,0,0,1|2,0,0]=3 474 B11R1.16 CCOC(=N)c1ccccc1 1P003QV0 [0,0,0,0,0,1|3,0,0]=4 475 B11R1.16 CCOC(=N)c1ccncc1 1P00C13H [0,0,0,0,0,1|3,0,0]=4 476 B11R1.16 CCOC(=O)C1=CC=CCC1 1P01E8XZ [0,0,0,0,0,1|2,0,0]=3 477 B11R1.16 CCOC(=O)C1=CCCOC1 1P00J3AC [0,0,0,0,0,1|1,0,2]=4 478 B11R1.16 CCOC(=O)C1CCC=CO1 1P00580G [0,0,0,0,0,1|1,0,2]=4 479 B11R1.16 CCOC(=O)c1ccccc1 1P003QV1 [0,0,0,0,0,1|2,0,0]=3 480 B11R1.16 CCOC(=O)c1ccccn1 1P007OC8 [0,0,0,0,0,1|2,0,0]=3 481 B11R1.16 CCOC(=O)c1cccnc1 1P003QWQ [0,0,0,0,0,1|2,0,0]=3 482 B11R1.16 CCOC(=O)c1cccnn1 1P0082MH [0,0,0,0,0,1|2,0,0]=3 483 B11R1.16 CCOC(=O)c1ccncc1 1P0035D0 [0,0,0,0,0,1|2,0,0]=3 484 B11R1.16 CCOC(=O)c1ccncn1 1P00EAYJ [0,0,0,0,0,1|2,0,0]=3 485 B11R1.16 CCOC(=O)c1ccnnc1 1P003QXJ [0,0,0,0,0,1|3,0,0]=4 486 B11R1.16 CCOC(=O)c1cnccn1 1P006AWS [0,0,0,0,0,1|2,0,0]=3 487 B11R1.16 CCOC(=O)c1cncnc1 1P003QTM [0,0,0,0,0,1|3,0,0]=4 488 B11R1.16 CCOC(=O)c1ncccn1 1P003QM1 [0,0,0,0,0,1|2,0,0]=3 489 B11R1.16 CCOC(=O)c1nccnn1 1P003AFI [0,0,0,0,0,1|3,0,0]=4 490 B11R1.16 CCOP(=O)c1ccccc1 1P002QZM [0,0,0,0,0,1|3,0,0]=4 491 B11R1.16 CNNC(=O)c1ccccc1 1P00AVBP [0,0,0,0,0,1|3,0,0]=4 492 B11R1.16 COCC(=O)c1ccccc1 1P003I0C [0,0,0,0,0,1|2,0,0]=3 493 B11R1.16 COCC(=O)c1ccccn1 1P008VRA [0,0,0,0,0,1|2,0,0]=3 494 B11R1.16 COCC(=O)c1cccnc1 1P02889I [0,0,0,0,0,1|2,0,0]=3 495 B11R1.16 CONC(=O)c1ccccc1 1P007NK5 [0,0,0,0,0,1|3,0,0]=4 496 B11R1.16 CSCC(=O)c1ccccc1 1P01A91B [0,0,0,0,0,1|2,0,0]=3 497 B11R1.16 C\C=C\C(=O)c1ccccc1 1P003VC7 [0,0,0,0,0,1|1,0,2]=4 498 B11R1.16 ClCCC(=O)c1ccccc1 1P003JS2 [0,0,0,0,0,1|2,0,0]=3 499 B11R1.16 ClCCS(=O)c1ccccc1 1P00C42H [0,0,0,0,0,1|3,0,0]=4 500 B11R1.16 ClCOC(=O)c1ccccc1 1P00DA2O [0,0,0,0,0,1|3,0,0]=4 501 B11R1.16 ICOC(=O)c1ccccc1 1P001BHI [0,0,0,0,0,1|3,0,0]=4 502 B11R1.16 N#CCC(=O)c1ccccc1 1P00IBBJ [0,0,0,0,0,1|2,0,1]=4 503 B11R1.16 N#CCC(=O)c1ccccn1 1P00DAGT [0,0,0,0,0,1|2,0,1]=4 504 B11R1.16 N#CCC(=O)c1cccnc1 1P0030VO [0,0,0,0,0,1|2,0,1]=4 505 B11R1.16 N#CCC(=O)c1ccncc1 1P007NIE [0,0,0,0,0,1|2,0,1]=4 506 B11R1.16 NCCC(=O)c1ccccc1 1P01KXES [0,0,0,0,0,1|2,0,0]=3 507 B11R1.16 NCCS(=O)c1ccccc1 1P01AHMQ [0,0,0,0,0,1|3,0,0]=4 508 B11R1.16 O=C(c1ccccc1)O[NH2+]C 1P003TWD [0,0,0,0,0,1|3,0,0]=4 509 B11R1.16 OCCC(=C)c1ccncc1 1P00KP7A [0,0,0,0,0,1|3,0,0]=4 510 B11R1.16 OCCC(=O)c1ccccc1 1P0036LN [0,0,0,0,0,1|2,0,0]=3 511 B11R1.16 OCNC(=O)c1ccccc1 1P003SV5 [0,0,0,0,0,1|3,0,0]=4 512 B11R1.16 OCNC(=O)c1cccnc1 1P003SV6 [0,0,0,0,0,1|3,0,0]=4 513 B11R1.30 CCCC(=O)Cc1ccco1 1P002KI0 [0,0,0,0,0,1|0,0,0]=1 514 B11R1.30 CCNC(=O)Cn1cccn1 1P003TG5 [0,0,0,0,0,1|3,0,0]=4 515 B11R1.30 CCOC(=O)Cc1c[nH]cn1 1P01BKQW [0,0,0,0,0,1|3,0,0]=4 516 B11R1.30 CCOC(=O)Cc1c[nH]cn1 1P028MTA [0,0,0,0,0,1|3,0,0]=4 517 B11R1.30 CCOC(=O)Cc1cc[nH]n1 1P008KEZ [0,0,0,0,0,1|3,0,0]=4 518 B11R1.30 CCOC(=O)Cc1ccc[nH]1 1P006ZOW [0,0,0,0,0,1|2,0,0]=3 519 B11R1.30 CCOC(=O)Cc1cccs1 1P00E9ZT [0,0,0,0,0,1|1,1,0]=3 520 B11R1.30 CCOC(=O)Cc1cscc1 1P0035DM [0,0,0,0,0,1|3,0,0]=4 521 B11R1.30 CCOC(=O)Cc1cscn1 1P000QVV [0,0,0,0,0,1|3,0,0]=4 522 B11R1.30 CCOC(=O)Cc1ncc[nH]1 1P005MCC [0,0,0,0,0,1|3,0,0]=4 523 B11R1.30 CCOC(=O)Cc1nccs1 1P001HE0 [0,0,0,0,0,1|2,1,0]=4 524 B11R1.30 CCOC(=O)Cn1cccn1 1P0006NM [0,0,0,0,0,1|3,0,0]=4 525 B11R1.30 CNCC(=O)Nc1nccs1 1P019WJ3 [0,0,0,0,0,1|2,1,0]=4 526 B11R1.30 ClCCC(=O)Nc1nccs1 1P00BNU3 [0,0,0,0,0,1|2,1,0]=4 527 B11R1.30 NCCC(=O)Nc1ncc[nH]1 1P01C3DQ [0,0,0,0,0,1|3,0,0]=4 528 B8R0.1 CCCC(=O)CCC=C 1P01A9QO [1,0,1,0,0,0|0,0,2]=4 529 B8R0.1 CCOC(=O)OCC=C 1P001EW9 [1,0,1,0,0,0|1,0,1]=4 530 B8R0.1 CCOC(=O)\C=C\C=O 1P002ZBY [1,0,1,0,0,0|1,0,1]=4 531 B8R0.4 CCCC=CC=CCO 1P0069DV [1,0,1,0,0,0|0,0,1]=3 532 B8R0.4 CCC\C=C\C=C\C=O 1P0030BR [1,0,1,0,0,0|0,0,1]=3 533 B8R0.4 CCC\C=C\C=C\CO 1P00AQC5 [1,0,1,0,0,0|0,0,1]=3 534 B8R0.6 CC=CC=CC(=O)OC 1P001NUA [1,0,1,0,0,0|2,0,0]=4 535 B8R0.6 C\C=C\C=C\C(=O)OC 1P006EBP [1,0,1,0,0,0|2,0,0]=4 536 B8R0.3 CCCC(=O)C(=O)OC 1P003S5T [1,0,1,0,0,0|1,0,1]=4 537 B8R0.3 CCOC(=O)C(C=C)O 1P01C5GN [1,0,1,0,0,0|1,0,1]=4 538 B8R1.7 CC(=C)c1ccco1 1P01DDLR [2,0,0,0,0,0|1,0,0]=3 539 B8R1.7 CC(=C1C=CC=C1)O 1P006CQI [2,0,0,0,0,0|1,0,1]=4 540 B8R1.7 CC(=O)[C-]1C=CC=C1 1P000X4S [2,0,0,0,0,0|1,0,1]=4 541 B8R1.7 CC(=O)[C-]1C=CC=C1 1P000XD8 [2,0,0,0,0,0|1,0,1]=4 542 B8R1.7 CC(=O)c1c[nH]cc1 1P0039FK [2,0,0,0,0,0|2,0,0]=4 543 B8R1.7 CC(=O)c1c[nH]cn1 1P00EB8A [2,0,0,0,0,0|2,0,0]=4 544 B8R1.7 CC(=O)c1ccc[nH]1 1P003GRE [2,0,0,0,0,0|1,0,0]=3 545 B8R1.7 CC(=O)c1ccco1 1P000IT2 [2,0,0,0,0,0|0,0,0]=2 546 B8R1.7 CC(=O)c1cccs1 1P0035MZ [2,0,0,0,0,0|0,1,0]=3 547 B8R1.7 CC(=O)c1ccn[nH]1 1P00APO8 [2,0,0,0,0,0|2,0,0]=4 548 B8R1.7 CC(=O)c1ccn[nH]1 1P00BGL1 [2,0,0,0,0,0|2,0,0]=4 549 B8R1.7 CC(=O)c1ccno1 1P0049B3 [2,0,0,0,0,0|1,0,0]=3 550 B8R1.7 CC(=O)c1ccns1 1P00C067 [2,0,0,0,0,0|1,1,0]=4 551 B8R1.7 CC(=O)c1ccon1 1P00490X [2,0,0,0,0,0|2,0,0]=4 552 B8R1.7 CC(=O)c1ccsn1 1P00H14V [2,0,0,0,0,0|2,0,0]=4 553 B8R1.7 CC(=O)c1cnco1 1P009KIG [2,0,0,0,0,0|1,0,0]=3 554 B8R1.7 CC(=O)c1cncs1 1P00GT31 [2,0,0,0,0,0|1,1,0]=4 555 B8R1.7 CC(=O)c1cocc1 1P009E7F [2,0,0,0,0,0|2,0,0]=4 556 B8R1.7 CC(=O)c1cocn1 1P00H3H6 [2,0,0,0,0,0|2,0,0]=4 557 B8R1.7 CC(=O)c1cscc1 1P001ETA [2,0,0,0,0,0|2,0,0]=4 558 B8R1.7 CC(=O)c1cscn1 1P007BLA [2,0,0,0,0,0|2,0,0]=4 559 B8R1.7 CC(=O)c1ncc[nH]1 1P00D9MM [2,0,0,0,0,0|2,0,0]=4 560 B8R1.7 CC(=O)c1ncc[nH]1 1P01BDZZ [2,0,0,0,0,0|2,0,0]=4 561 B8R1.7 CC(=O)c1ncco1 1P005DFY [2,0,0,0,0,0|1,0,0]=3 562 B8R1.7 CC(=O)c1nccs1 1P003D8V [2,0,0,0,0,0|1,1,0]=4 563 B8R1.7 CC(=O)n1cccn1 1P0006NK [2,0,0,0,0,0|2,0,0]=4 564 B8R1.7 CC(c1ccco1)C 1P003HYG [2,0,0,0,0,0|1,0,1]=4 565 B8R1.7 CC(c1ccco1)N 1P00BDMZ [2,0,0,0,0,0|1,0,1]=4 566 B8R1.7 CC(c1ccco1)N 1P019N05 [2,0,0,0,0,0|1,0,1]=4 567 B8R1.7 CC(c1ccco1)O 1P00I8MZ [2,0,0,0,0,0|0,0,2]=4 568 B8R1.7 CC(c1ccco1)S 1P01A8IC [2,0,0,0,0,0|0,1,1]=4 569 B8R1.7 C[C@@H](c1ccco1)O 1P0079X7 [2,0,0,0,0,0|0,0,2]=4 570 B8R1.7 C[C@H](c1ccco1)N 1P01JV6O [2,0,0,0,0,0|1,0,1]=4 571 B8R1.7 C[C@H](c1ccco1)O 1P00IN2M [2,0,0,0,0,0|0,0,2]=4 572 B8R1.7 ClC(=O)c1ccc[nH]1 1P01I097 [2,0,0,0,0,0|2,0,0]=4 573 B8R1.7 ClC(=O)c1cccs1 1P003BQI [2,0,0,0,0,0|1,1,0]=4 574 B8R1.7 ClC(=O)c1ccno1 1P003RMJ [2,0,0,0,0,0|2,0,0]=4 575 B8R1.7 NC(=N)c1ccco1 1P00D99M [2,0,0,0,0,0|2,0,0]=4 576 B8R1.7 NC(=O)c1ccc[nH]1 1P00DASS [2,0,0,0,0,0|2,0,0]=4 577 B8R1.7 NC(=O)c1ccco1 1P003HT3 [2,0,0,0,0,0|1,0,0]=3 578 B8R1.7 NC(=O)c1ccno1 1P0043TN [2,0,0,0,0,0|2,0,0]=4 579 B8R1.7 NC(=O)c1cnco1 1P001QI7 [2,0,0,0,0,0|2,0,0]=4 580 B8R1.7 NC(=O)c1ncco1 1P008CTP [2,0,0,0,0,0|2,0,0]=4 581 B8R1.7 NC(=S)c1ccco1 1P0021LD [2,0,0,0,0,0|1,1,0]=4 582 B8R1.7 NS(=O)c1ccco1 1P027UN7 [2,0,0,0,0,0|2,0,0]=4 583 B8R1.7 OC(=O)c1ccc[nH]1 1P00360N [2,0,0,0,0,0|2,0,0]=4 584 B8R1.7 OC(=O)c1cccs1 1P003IEW [2,0,0,0,0,0|1,1,0]=4 585 B8R1.7 OC(=O)c1ccno1 1P003RMK [2,0,0,0,0,0|2,0,0]=4 586 B8R1.7 OC(=O)c1cnco1 1P0038RZ [2,0,0,0,0,0|2,0,0]=4 587 B8R1.7 OC(=O)c1ncco1 1P0035WL [2,0,0,0,0,0|2,0,0]=4 588 B8R1.7 OC(=O)c1ncco1 1P028A5I [2,0,0,0,0,0|2,0,0]=4 589 B8R1.7 [O-]C(=O)c1cccs1 1P002R08 [2,0,0,0,0,0|1,1,0]=4 590 B8R1.7 [O-]C(=O)c1cccs1 1P00353G [2,0,0,0,0,0|1,1,0]=4 591 B8R1.7 [O-]C(=O)c1cccs1 1P01XCZI [2,0,0,0,0,0|1,1,0]=4 592 B8R1.7 [O-]C(=O)c1ncco1 1P000O8D [2,0,0,0,0,0|2,0,0]=4 593 B8R1.7 [O-][N+](=O)c1ccco1 1P003I9C [2,0,0,0,0,0|2,0,0]=4 594 B8R1.8 BrCCc1cccs1 1P002TU6 [2,0,0,0,0,0|1,1,0]=4 595 B8R1.8 BrCCc1cnco1 1P024SG9 [2,0,0,0,0,0|2,0,0]=4 596 B8R1.8 BrCCc1ncco1 1P027XM1 [2,0,0,0,0,0|2,0,0]=4 597 B8R1.8 CCCc1cc[nH]n1 1P005UQF [2,0,0,0,0,0|2,0,0]=4 598 B8R1.8 CCCc1ccc[nH]1 1P007FSL [2,0,0,0,0,0|1,0,0]=3 599 B8R1.8 CCCc1cccs1 1P003IDK [2,0,0,0,0,0|0,1,0]=3 600 B8R1.8 CCCc1cocn1 1P023RY6 [2,0,0,0,0,0|2,0,0]=4 601 B8R1.8 CCCc1cscc1 1P003KB0 [2,0,0,0,0,0|2,0,0]=4 602 B8R1.8 CCCc1ncc[nH]1 1P003IDI [2,0,0,0,0,0|2,0,0]=4 603 B8R1.8 CCCc1nccs1 1P00250A [2,0,0,0,0,0|1,1,0]=4 604 B8R1.8 CCCn1cccn1 1P003F3X [2,0,0,0,0,0|2,0,0]=4 605 B8R1.8 CCOc1cccs1 1P01HY7F [2,0,0,0,0,0|1,1,0]=4 606 B8R1.8 CCOc1cnco1 1P001MYR [2,0,0,0,0,0|2,0,0]=4 607 B8R1.8 CNCc1ccc[nH]1 1P002S02 [2,0,0,0,0,0|2,0,0]=4 608 B8R1.8 CNCc1ccc[nH]1 1P027XEF [2,0,0,0,0,0|2,0,0]=4 609 B8R1.8 CNCc1ccco1 1P00D8RX [2,0,0,0,0,0|1,0,0]=3 610 B8R1.8 CNCc1cccs1 1P003TMJ [2,0,0,0,0,0|1,1,0]=4 611 B8R1.8 CNCc1cccs1 1P003TMK [2,0,0,0,0,0|1,1,0]=4 612 B8R1.8 CNCc1cnco1 1P028CGH [2,0,0,0,0,0|2,0,0]=4 613 B8R1.8 CNCc1ncco1 1P027WJR [2,0,0,0,0,0|2,0,0]=4 614 B8R1.8 COCc1cccs1 1P001LLJ [2,0,0,0,0,0|1,1,0]=4 615 B8R1.8 CSCc1ccco1 1P003R63 [2,0,0,0,0,0|1,0,0]=3 616 B8R1.8 ClCCc1cccs1 1P002CY4 [2,0,0,0,0,0|1,1,0]=4 617 B8R1.8 N#CCc1ccco1 1P00BDAE [2,0,0,0,0,0|1,0,1]=4 618 B8R1.8 NCCc1ccc[nH]1 1P003F9F [2,0,0,0,0,0|2,0,0]=4 619 B8R1.8 NCCc1ccco1 1P003HT8 [2,0,0,0,0,0|1,0,0]=3 620 B8R1.8 NCCc1ccco1 1P00J3S8 [2,0,0,0,0,0|1,0,0]=3 621 B8R1.8 NCCc1cccs1 1P0030KO [2,0,0,0,0,0|1,1,0]=4 622 B8R1.8 NCCc1ccno1 1P01BRWE [2,0,0,0,0,0|2,0,0]=4 623 B8R1.8 NCCc1ccno1 1P0286ZF [2,0,0,0,0,0|2,0,0]=4 624 B8R1.8 NCCc1ncco1 1P0284E7 [2,0,0,0,0,0|2,0,0]=4 625 B8R1.8 NCCc1ocnc1 1P028E9Y [2,0,0,0,0,0|2,0,0]=4 626 B8R1.8 OCCc1ccc[nH]1 1P006ZXJ [2,0,0,0,0,0|2,0,0]=4 627 B8R1.8 OCCc1ccco1 1P00BZB3 [2,0,0,0,0,0|1,0,0]=3 628 B8R1.8 OCCc1cccs1 1P0033WO [2,0,0,0,0,0|1,1,0]=4 629 B8R1.8 OCCc1cnco1 1P028VU5 [2,0,0,0,0,0|2,0,0]=4 630 B8R1.8 OCCc1ncco1 1P02817S [2,0,0,0,0,0|2,0,0]=4 631 B8R1.8 SCCc1ccco1 1P01HNHQ [2,0,0,0,0,0|1,0,0]=3 632 B8R1.8 SCCc1cccs1 1P01HCS8 [2,0,0,0,0,0|1,1,0]=4 633 B10R1.14 BrCC(=O)c1ccc(o1)Br 1P001ZIF [1,1,0,0,0,0|1,0,0]=3 634 B10R1.14 BrCC(=O)c1ccc(s1)Br 1P007X7C [1,1,0,0,0,0|1,1,0]=4 635 B10R1.14 BrCC(=O)c1onc(c1)Br 1P005BHW [1,1,0,0,0,0|2,0,0]=4 636 B10R1.14 CCC(=O)c1cc(c[nH]1)Br 1P028JSQ [1,1,0,0,0,0|1,0,0]=3 637 B10R1.14 CCC(=O)c1cc(on1)N 1P01ALJ4 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.14 CCC(=O)c1ccc(o1)C 1P0038SV [1,1,0,0,0,0|0,0,0]=2 639 B10R1.14 CCC(=O)c1ccc(s1)Br 1P00C149 [1,1,0,0,0,0|0,1,0]=3 640 B10R1.14 CCC(=O)c1ccc(s1)C 1P00EE39 [1,1,0,0,0,0|0,1,0]=3 641 B10R1.14 CCC(=O)c1ccc(s1)Cl 1P007GM7 [1,1,0,0,0,0|0,1,0]=3 642 B10R1.14 CCC(=O)c1ccn(n1)C 1P01A4XD [1,1,0,0,0,0|2,0,0]=4 643 B10R1.14 CCC(=O)c1scc(n1)C 1P0012U5 [1,1,0,0,0,0|1,1,0]=4 644 B10R1.14 CCC(c1ccc(o1)C)N 1P00231Y [1,1,0,0,0,0|1,0,1]=4 645 B10R1.14 CC[C@@H](c1ccc(o1)C)N 1P00232F [1,1,0,0,0,0|1,0,1]=4 646 B10R1.14 CC[C@@H](c1ccc(o1)C)N 1P00DG8E [1,1,0,0,0,0|1,0,1]=4 647 B10R1.14 CC[C@H](c1ccc(o1)C)N 1P00G42G [1,1,0,0,0,0|1,0,1]=4 648 B10R1.14 CNC(=O)c1ccc(o1)Br 1P00BF9C [1,1,0,0,0,0|1,0,0]=3 649 B10R1.14 CNC(=O)c1ccc(s1)Br 1P0068SO [1,1,0,0,0,0|1,1,0]=4 650 B10R1.14 CNC(=O)c1ccc(s1)Cl 1P01B5ZP [1,1,0,0,0,0|1,1,0]=4 651 B10R1.14 COC(=O)c1[nH]cc(c1)C 1P00BZXT [1,1,0,0,0,0|2,0,0]=4 652 B10R1.14 COC(=O)c1cc(=O)[nH]o1 1P000334 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.14 COC(=O)c1cc(c[nH]1)Br 1P003SBB [1,1,0,0,0,0|2,0,0]=4 654 B10R1.14 COC(=O)c1cc(c[nH]1)Cl 1P000J5Y [1,1,0,0,0,0|2,0,0]=4 655 B10R1.14 COC(=O)c1cc(c[nH]1)F 1P003SC1 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.14 COC(=O)c1cc(c[nH]1)I 1P0075V4 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.14 COC(=O)c1cc(c[nH]1)N 1P00IXFY [1,1,0,0,0,0|2,0,0]=4 658 B10R1.14 COC(=O)c1cc(co1)Br 1P0035O4 [1,1,0,0,0,0|1,0,0]=3 659 B10R1.14 COC(=O)c1cc(cs1)Br 1P00EGB0 [1,1,0,0,0,0|1,1,0]=4 660 B10R1.14 COC(=O)c1cc(cs1)Cl 1P004JHV [1,1,0,0,0,0|1,1,0]=4 661 B10R1.14 COC(=O)c1cc(cs1)F 1P00CMEV [1,1,0,0,0,0|1,1,0]=4 662 B10R1.14 COC(=O)c1cc(cs1)I 1P008CYM [1,1,0,0,0,0|1,1,0]=4 663 B10R1.14 COC(=O)c1cc(cs1)N 1P0035NZ [1,1,0,0,0,0|1,1,0]=4 664 B10R1.14 COC(=O)c1cc(no1)Br 1P00C1RC [1,1,0,0,0,0|2,0,0]=4 665 B10R1.14 COC(=O)c1cc(no1)N 1P0029GL [1,1,0,0,0,0|2,0,0]=4 666 B10R1.14 COC(=O)c1ccc([nH]1)Br 1P006GEU [1,1,0,0,0,0|2,0,0]=4 667 B10R1.14 COC(=O)c1ccc([nH]1)C 1P000J5X [1,1,0,0,0,0|2,0,0]=4 668 B10R1.14 COC(=O)c1ccc([nH]1)Cl 1P01A09X [1,1,0,0,0,0|2,0,0]=4 669 B10R1.14 COC(=O)c1ccc([nH]1)N 1P019DNR [1,1,0,0,0,0|2,0,0]=4 670 B10R1.14 COC(=O)c1ccc(o1)Br 1P003SDZ [1,1,0,0,0,0|1,0,0]=3 671 B10R1.14 COC(=O)c1ccc(o1)C 1P003SEP [1,1,0,0,0,0|1,0,0]=3 672 B10R1.14 COC(=O)c1ccc(o1)Cl 1P003SEC [1,1,0,0,0,0|1,0,0]=3 673 B10R1.14 COC(=O)c1ccc(o1)N 1P007ONX [1,1,0,0,0,0|1,0,0]=3 674 B10R1.14 COC(=O)c1ccc(s1)Br 1P00ECSW [1,1,0,0,0,0|1,1,0]=4 675 B10R1.14 COC(=O)c1ccc(s1)C 1P00AR6J [1,1,0,0,0,0|1,1,0]=4 676 B10R1.14 COC(=O)c1ccc(s1)Cl 1P00C6ZY [1,1,0,0,0,0|1,1,0]=4 677 B10R1.14 COC(=O)c1ccc(s1)I 1P004JHT [1,1,0,0,0,0|1,1,0]=4 678 B10R1.14 COC(=O)c1ccc(s1)N 1P001E1I [1,1,0,0,0,0|1,1,0]=4 679 B10R1.14 COC(=O)c1ccc(s1)O 1P00HBGP [1,1,0,0,0,0|1,1,0]=4 680 B10R1.14 COC(=O)c1cnc(o1)C 1P0037E6 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.14 COC(=O)c1cnc(o1)Cl 1P00641E [1,1,0,0,0,0|2,0,0]=4 682 B10R1.14 COC(=O)c1cnc(o1)N 1P00641F [1,1,0,0,0,0|2,0,0]=4 683 B10R1.14 COC(=O)c1ncc(o1)C 1P000NEY [1,1,0,0,0,0|2,0,0]=4 684 B10R1.14 COC(=O)c1onc(c1)C 1P0002D6 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.14 COC(=O)c1scc(c1)C 1P002WJZ [1,1,0,0,0,0|1,1,0]=4 686 B10R1.14 Cc1cc(on1)C(=O)CBr 1P007H1D [1,1,0,0,0,0|2,0,0]=4 687 B10R1.14 Cc1cc(on1)C(=O)CCl 1P01AFZW [1,1,0,0,0,0|2,0,0]=4 688 B10R1.14 Cc1cc(sc1)C(=O)CCl 1P00DTR4 [1,1,0,0,0,0|1,1,0]=4 689 B10R1.14 Cc1ccc(o1)C(=O)CBr 1P001UJS [1,1,0,0,0,0|1,0,0]=3 690 B10R1.14 Cc1ccc(o1)C(=O)NN 1P002K50 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.14 Cc1ccc(s1)C(=O)CBr 1P007X7D [1,1,0,0,0,0|1,1,0]=4 692 B10R1.14 Cc1ccc(s1)C(=O)CCl 1P00CM4H [1,1,0,0,0,0|1,1,0]=4 693 B10R1.14 Cc1ccc(s1)C(=O)CN 1P00014J [1,1,0,0,0,0|1,1,0]=4 694 B10R1.14 ClCC(=O)c1cc(cs1)Br 1P01Q2T1 [1,1,0,0,0,0|1,1,0]=4 695 B10R1.14 ClCC(=O)c1ccc(o1)Cl 1P01DWFN [1,1,0,0,0,0|1,0,0]=3 696 B10R1.14 ClCC(=O)c1ccc(s1)Cl 1P00I8OG [1,1,0,0,0,0|1,1,0]=4 697 B10R1.14 Clc1ccc(s1)C(=O)CBr 1P00EDOW [1,1,0,0,0,0|1,1,0]=4 698 B10R1.14 FCC(=O)c1ccc(s1)Br 1P027VNM [1,1,0,0,0,0|1,1,0]=4 699 B10R1.14 NCC(=O)c1ccc(s1)Br 1P0087GX [1,1,0,0,0,0|1,1,0]=4 700 B10R1.14 NCC(=O)c1ccc(s1)Cl 1P01BSLT [1,1,0,0,0,0|1,1,0]=4 701 B10R1.14 NNC(=O)c1ccc(o1)Br 1P00417P [1,1,0,0,0,0|2,0,0]=4 702 B10R1.23 BrC(C(=O)c1cccs1)Br 1P005PCQ [1,1,0,0,0,0|1,1,0]=4 703 B10R1.23 CC(C(=O)c1ccco1)Br 1P00D6O6 [1,1,0,0,0,0|0,0,0]=2 704 B10R1.23 CC(C(=O)c1ccco1)C 1P01I2VN [1,1,0,0,0,0|0,0,0]=2 705 B10R1.23 CC(C(=O)c1ccco1)O 1P01C4SU [1,1,0,0,0,0|0,0,0]=2 706 B10R1.23 CC(C(=O)c1cccs1)Br 1P005AFP [1,1,0,0,0,0|0,1,0]=3 707 B10R1.23 CC(C(=O)c1cccs1)C 1P00C8SW [1,1,0,0,0,0|0,1,0]=3 708 B10R1.23 CN(C(=O)c1ccc[nH]1)C 1P00FSPP [1,1,0,0,0,0|2,0,0]=4 709 B10R1.23 CN(C(=O)c1ccco1)O 1P003TOF [1,1,0,0,0,0|1,0,0]=3 710 B10R1.23 FC(C(=O)c1cccs1)F 1P00BQGM [1,1,0,0,0,0|1,1,0]=4 711 B10R1.23 NC(=O)C(=O)c1ccco1 1P004W01 [1,1,0,0,0,0|1,0,1]=4 712 B10R1.23 OC(=O)C(=O)c1ccco1 1P001EQ0 [1,1,0,0,0,0|1,0,1]=4 713 B10R1.149 BrCC(=O)c1cccn1C 1P00ETNS [1,1,0,0,0,0|2,0,0]=4 714 B10R1.149 BrCC(=O)c1sccc1Br 1P008LAG [1,1,0,0,0,0|1,1,0]=4 715 B10R1.149 CCC(=O)c1ccnn1C 1P00J25Q [1,1,0,0,0,0|2,0,0]=4 716 B10R1.149 CCC(=O)c1cncn1C 1P00F3CA [1,1,0,0,0,0|2,0,0]=4 717 B10R1.149 CCC(=O)c1nccn1C 1P01A388 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.149 CCC(=O)c1occc1C 1P006VKZ [1,1,0,0,0,0|0,0,0]=2 719 B10R1.149 CCC(=O)c1sccc1Cl 1P01BICY [1,1,0,0,0,0|0,1,0]=3 720 B10R1.149 CNC(=O)c1sccc1N 1P00ADD6 [1,1,0,0,0,0|1,1,0]=4 721 B10R1.149 COC(=O)c1[nH]ccc1Br 1P003S8B [1,1,0,0,0,0|2,0,0]=4 722 B10R1.149 COC(=O)c1[nH]ccc1C 1P00CMET [1,1,0,0,0,0|2,0,0]=4 723 B10R1.149 COC(=O)c1[nH]ccc1Cl 1P003S8J [1,1,0,0,0,0|2,0,0]=4 724 B10R1.149 COC(=O)c1[nH]ccc1N 1P028PE9 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.149 COC(=O)c1[nH]ccc1O 1P00G7H9 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.149 COC(=O)c1cccn1C 1P00BYMU [1,1,0,0,0,0|2,0,0]=4 727 B10R1.149 COC(=O)c1cccn1N 1P0017CT [1,1,0,0,0,0|2,0,0]=4 728 B10R1.149 COC(=O)c1occc1Br 1P01C605 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.149 COC(=O)c1occc1C 1P003S9K [1,1,0,0,0,0|1,0,0]=3 730 B10R1.149 COC(=O)c1occc1N 1P0022TT [1,1,0,0,0,0|1,0,0]=3 731 B10R1.149 COC(=O)c1occc1N 1P00H97Y [1,1,0,0,0,0|1,0,0]=3 732 B10R1.149 COC(=O)c1ocnc1Br 1P01JJOV [1,1,0,0,0,0|2,0,0]=4 733 B10R1.149 COC(=O)c1ocnc1C 1P002MBH [1,1,0,0,0,0|2,0,0]=4 734 B10R1.149 COC(=O)c1sccc1Br 1P002SAQ [1,1,0,0,0,0|1,1,0]=4 735 B10R1.149 COC(=O)c1sccc1C 1P003S9S [1,1,0,0,0,0|1,1,0]=4 736 B10R1.149 COC(=O)c1sccc1Cl 1P003S8M [1,1,0,0,0,0|1,1,0]=4 737 B10R1.149 COC(=O)c1sccc1F 1P0002EM [1,1,0,0,0,0|1,1,0]=4 738 B10R1.149 COC(=O)c1sccc1I 1P00EKSO [1,1,0,0,0,0|1,1,0]=4 739 B10R1.149 COC(=O)c1sccc1N 1P0035N7 [1,1,0,0,0,0|1,1,0]=4 740 B10R1.149 COC(=O)c1sccc1O 1P003S97 [1,1,0,0,0,0|1,1,0]=4 741 B10R1.149 Cc1ncoc1C(=O)CCl 1P01DW1X [1,1,0,0,0,0|2,0,0]=4 742 B10R1.149 ClCC(=O)c1cccn1C 1P002OMD [1,1,0,0,0,0|2,0,0]=4 743 B10R1.149 ClCC(=O)c1occc1C 1P01DVVV [1,1,0,0,0,0|1,0,0]=3 744 B10R1.149 ClCC(=O)c1sccc1Br 1P01AHHU [1,1,0,0,0,0|1,1,0]=4 745 B10R1.149 ClCC(=O)c1sccc1C 1P00DHWU [1,1,0,0,0,0|1,1,0]=4 746 B10R1.149 ClCC(=O)c1sccc1Cl 1P01DX0I [1,1,0,0,0,0|1,1,0]=4 747 B10R1.149 NCC(=O)c1sccc1Br 1P027X6G [1,1,0,0,0,0|1,1,0]=4 748 B10R1.149 NNC(=O)c1occc1C 1P00DWOJ [1,1,0,0,0,0|2,0,0]=4 749 B10R1.16 CCNCc1ccc(o1)C 1P00J2EX [1,1,0,0,0,0|1,0,1]=4 750 B10R1.21 CCCCCc1ccco1 1P003IAW [1,1,0,0,0,0|0,0,1]=3 751 B10R1.21 CCCCCc1cccs1 1P003BQ3 [1,1,0,0,0,0|0,1,1]=4 752 B10R1.21 CCCNCc1ccco1 1P00C926 [1,1,0,0,0,0|0,0,1]=3 753 B10R1.21 CCNCCc1cccs1 1P019MCF [1,1,0,0,0,0|0,1,1]=4 754 B10R1.21 CNCCCc1ccco1 1P001ZKU [1,1,0,0,0,0|0,0,1]=3 755 B10R1.21 NCCCCc1cccs1 1P028R9O [1,1,0,0,0,0|0,1,1]=4 756 B10R1.21 NCCSCc1ccco1 1P007AJD [1,1,0,0,0,0|1,0,1]=4 757 B10R1.21 OCCNCc1ccco1 1P00DD4H [1,1,0,0,0,0|1,0,1]=4 758 B10R1.21 SCCNCc1ccco1 1P01BFVD [1,1,0,0,0,0|1,0,1]=4 759 B10R1.27 CCC(=O)Cc1ccco1 1P00C8VQ [1,1,0,0,0,0|0,0,2]=4 760 B10R1.27 CCC(Cc1cccs1)Cl 1P01BYDP [1,1,0,0,0,0|0,1,1]=4 761 B10R1.27 OCC(Cc1ccco1)N 1P028BPO [1,1,0,0,0,0|1,0,1]=4 762 B10R1.29 CCNCc1occc1C 1P01C3KN [1,1,0,0,0,0|1,0,1]=4 763 B10R1.66 CC(=O)C=Cc1ccco1 1P00CMZ2 [1,1,0,0,0,0|0,0,2]=4 764 B10R1.66 CC(=O)CCc1ccco1 1P00667T [1,1,0,0,0,0|0,0,2]=4 765 B10R1.66 CC(=O)\C=C\c1ccco1 1P003KGG [1,1,0,0,0,0|0,0,2]=4 766 B10R1.66 CC(CCc1ccco1)N 1P005SKI [1,1,0,0,0,0|0,0,1]=3 767 B10R1.66 CC(NCc1ccco1)C 1P00APVX [1,1,0,0,0,0|1,0,1]=4 768 B10R1.66 CC(SCc1ccco1)C 1P002HAE [1,1,0,0,0,0|1,0,1]=4 769 B10R1.66 CN(N=Cc1ccco1)C 1P001D2F [1,1,0,0,0,0|2,0,0]=4 770 B12R1.3 CCCC(c1ccccc1)C=O 1P01A4J2 [0,1,0,0,0,1|1,0,1]=4 771 B12R1.16 BrCCC(=O)c1ccc(cc1)F 1P01A0DA [0,1,0,0,0,1|2,0,0]=4 772 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1P003LGH [0,1,0,0,0,1|1,0,0]=3 773 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1P003LNS [0,1,0,0,0,1|1,0,0]=3 774 B12R1.16 CCCC(=O)c1ccc(cc1)F 1P003DG9 [0,1,0,0,0,1|1,0,0]=3 775 B12R1.16 CCCC(=O)c1ccc(cc1)O 1P0003LN [0,1,0,0,0,1|1,0,0]=3 776 B12R1.16 CCCC(=O)c1ccc(nc1)Cl 1P00GV5W [0,1,0,0,0,1|1,0,0]=3 777 B12R1.16 CCNC(=O)c1ccc(cc1)Br 1P00C1EY [0,1,0,0,0,1|2,0,0]=4 778 B12R1.16 CCNC(=O)c1ccc(cc1)I 1P00HD7Z [0,1,0,0,0,1|2,0,0]=4 779 B12R1.16 CCNC(=O)c1ccc(cc1)N 1P003WRA [0,1,0,0,0,1|2,0,0]=4 780 B12R1.16 CCNC(=O)c1ccc(cc1)O 1P00I5O9 [0,1,0,0,0,1|2,0,0]=4 781 B12R1.16 CCNC(=O)c1ccc(nc1)Cl 1P00DDCN [0,1,0,0,0,1|2,0,0]=4 782 B12R1.16 CCNC(=O)c1ccc(nn1)Cl 1P019ZQ0 [0,1,0,0,0,1|2,0,0]=4 783 B12R1.16 CCOC(=O)C1=CCC(=CC1)C 1P01DU4B [0,1,0,0,0,1|2,0,0]=4 784 B12R1.16 CCOC(=O)c1cc[n+](cc1)[O-] 1P007JRS [0,1,0,0,0,1|2,0,0]=4 785 B12R1.16 CCOC(=O)c1ccc(=O)[nH]c1 1P007SWJ [0,1,0,0,0,1|2,0,0]=4 786 B12R1.16 CCOC(=O)c1ccc(=O)[nH]n1 1P00ED68 [0,1,0,0,0,1|2,0,0]=4 787 B12R1.16 CCOC(=O)c1ccc(=S)[nH]c1 1P0021QL [0,1,0,0,0,1|2,0,0]=4 788 B12R1.16 CCOC(=O)c1ccc(cc1)Br 1P0034EU [0,1,0,0,0,1|2,0,0]=4 789 B12R1.16 CCOC(=O)c1ccc(cc1)C 1P0035C2 [0,1,0,0,0,1|2,0,0]=4 790 B12R1.16 CCOC(=O)c1ccc(cc1)Cl 1P005F3K [0,1,0,0,0,1|2,0,0]=4 791 B12R1.16 CCOC(=O)c1ccc(cc1)F 1P0035BX [0,1,0,0,0,1|2,0,0]=4 792 B12R1.16 CCOC(=O)c1ccc(cc1)I 1P003QRR [0,1,0,0,0,1|2,0,0]=4 793 B12R1.16 CCOC(=O)c1ccc(cc1)N 1P002N3G [0,1,0,0,0,1|2,0,0]=4 794 B12R1.16 CCOC(=O)c1ccc(cc1)N 1P0035BS [0,1,0,0,0,1|2,0,0]=4 795 B12R1.16 CCOC(=O)c1ccc(cc1)O 1P003LZU [0,1,0,0,0,1|2,0,0]=4 796 B12R1.16 CCOC(=O)c1ccc(cc1)S 1P01BL0C [0,1,0,0,0,1|2,0,0]=4 797 B12R1.16 CCOC(=O)c1ccc(cc1)[O-] 1P00I7GU [0,1,0,0,0,1|2,0,0]=4 798 B12R1.16 CCOC(=O)c1ccc(cn1)C 1P00DGSF [0,1,0,0,0,1|2,0,0]=4 799 B12R1.16 CCOC(=O)c1ccc(cn1)Cl 1P000Y6R [0,1,0,0,0,1|2,0,0]=4 800 B12R1.16 CCOC(=O)c1ccc(cn1)N 1P000Q7J [0,1,0,0,0,1|2,0,0]=4 801 B12R1.16 CCOC(=O)c1ccc(cn1)N 1P01A1GE [0,1,0,0,0,1|2,0,0]=4 802 B12R1.16 CCOC(=O)c1ccc(cn1)O 1P00EGMS [0,1,0,0,0,1|2,0,0]=4 803 B12R1.16 CCOC(=O)c1ccc(nc1)Br 1P00110K [0,1,0,0,0,1|2,0,0]=4 804 B12R1.16 CCOC(=O)c1ccc(nc1)C 1P00BDV3 [0,1,0,0,0,1|2,0,0]=4 805 B12R1.16 CCOC(=O)c1ccc(nc1)Cl 1P003QU6 [0,1,0,0,0,1|2,0,0]=4 806 B12R1.16 CCOC(=O)c1ccc(nc1)F 1P000CH2 [0,1,0,0,0,1|2,0,0]=4 807 B12R1.16 CCOC(=O)c1ccc(nc1)I 1P00AKZB [0,1,0,0,0,1|2,0,0]=4 808 B12R1.16 CCOC(=O)c1ccc(nc1)N 1P0035CG [0,1,0,0,0,1|2,0,0]=4 809 B12R1.16 CCOC(=O)c1ccc(nn1)C 1P003QUD [0,1,0,0,0,1|2,0,0]=4 810 B12R1.16 CCOC(=O)c1ccc(nn1)Cl 1P005W31 [0,1,0,0,0,1|2,0,0]=4 811 B12R1.16 CCOC(=O)c1ccc(nn1)N 1P003QTW [0,1,0,0,0,1|2,0,0]=4 812 B12R1.16 CCOC(=O)c1ccc(nn1)S 1P01AR33 [0,1,0,0,0,1|2,0,0]=4 813 B12R1.16 CCOC(=O)c1cnc(cn1)C 1P0073SO [0,1,0,0,0,1|2,0,0]=4 814 B12R1.16 CCOC(=O)c1cnc(cn1)Cl 1P00DBWU [0,1,0,0,0,1|2,0,0]=4 815 B12R1.16 CCOC(=O)c1cnc(cn1)N 1P003QSU [0,1,0,0,0,1|2,0,0]=4 816 B12R1.16 CCOC(=O)c1cnc(cn1)O 1P00DL60 [0,1,0,0,0,1|2,0,0]=4 817 B12R1.16 CCOC(=O)c1ncc(cn1)Br 1P000PZD [0,1,0,0,0,1|2,0,0]=4 818 B12R1.16 CCOC(=O)c1ncc(cn1)Cl 1P000JRX [0,1,0,0,0,1|2,0,0]=4 819 B12R1.16 CCOC(=O)c1ncc(cn1)F 1P009D70 [0,1,0,0,0,1|2,0,0]=4 820 B12R1.16 CCOC(=O)c1ncc(cn1)O 1P000LZ8 [0,1,0,0,0,1|2,0,0]=4 821 B12R1.16 CNCC(=O)c1ccc(cc1)O 1P00BFSJ [0,1,0,0,0,1|2,0,0]=4 822 B12R1.16 COCC(=O)c1ccc(cc1)Cl 1P01BFWJ [0,1,0,0,0,1|2,0,0]=4 823 B12R1.16 COCC(=O)c1ccc(cc1)F 1P00BJ3C [0,1,0,0,0,1|2,0,0]=4 824 B12R1.16 COCC(=O)c1ccc(cc1)O 1P00CAC6 [0,1,0,0,0,1|2,0,0]=4 825 B12R1.16 ClCCC(=O)c1ccc(cc1)Br 1P003LEO [0,1,0,0,0,1|2,0,0]=4 826 B12R1.16 ClCCC(=O)c1ccc(cc1)C 1P003M7A [0,1,0,0,0,1|2,0,0]=4 827 B12R1.16 ClCCC(=O)c1ccc(cc1)Cl 1P0033Z3 [0,1,0,0,0,1|2,0,0]=4 828 B12R1.16 ClCCC(=O)c1ccc(cc1)F 1P003JOS [0,1,0,0,0,1|2,0,0]=4 829 B12R1.16 ClCCC(=O)c1ccc(cc1)O 1P0062O1 [0,1,0,0,0,1|2,0,0]=4 830 B12R1.16 OCCC(=O)c1ccc(cc1)O 1P003IW0 [0,1,0,0,0,1|2,0,0]=4 831 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1P00CBUD [0,1,0,0,0,1|1,0,0]=3 832 B12R1.17 CCCC(=O)c1cccc(c1)N 1P0029C9 [0,1,0,0,0,1|1,0,0]=3 833 B12R1.17 CCCC(=O)c1nccc(c1)C 1P01C0LJ [0,1,0,0,0,1|1,0,0]=3 834 B12R1.17 CCNC(=O)c1cc(Cl)ccn1 1P00EBHU [0,1,0,0,0,1|2,0,0]=4 835 B12R1.17 CCNC(=O)c1cc(N)ccn1 1P028J4G [0,1,0,0,0,1|2,0,0]=4 836 B12R1.17 CCNC(=O)c1cc(S)ccn1 1P019Z5C [0,1,0,0,0,1|2,0,0]=4 837 B12R1.17 CCNC(=O)c1ccc[n+](c1)[O-] 1P024HR7 [0,1,0,0,0,1|2,0,0]=4 838 B12R1.17 CCNC(=O)c1cccc(c1)Br 1P00BESZ [0,1,0,0,0,1|2,0,0]=4 839 B12R1.17 CCNC(=O)c1cccc(c1)C 1P00BHAC [0,1,0,0,0,1|2,0,0]=4 840 B12R1.17 CCNC(=O)c1cccc(c1)N 1P005HH9 [0,1,0,0,0,1|2,0,0]=4 841 B12R1.17 CCNC(=O)c1cccc(c1)O 1P001Q9G [0,1,0,0,0,1|2,0,0]=4 842 B12R1.17 CCNC(=O)c1ccnc(c1)Cl 1P000WLS [0,1,0,0,0,1|2,0,0]=4 843 B12R1.17 CCNC(=O)c1cncc(c1)Br 1P001ZTI [0,1,0,0,0,1|2,0,0]=4 844 B12R1.17 CCOC(=O)c1cc(=O)cco1 1P001O38 [0,1,0,0,0,1|1,0,0]=3 845 B12R1.17 CCOC(=O)c1cc(=O)nc[nH]1 1P006YMJ [0,1,0,0,0,1|2,0,0]=4 846 B12R1.17 CCOC(=O)c1cc(Br)ccn1 1P0035BV [0,1,0,0,0,1|2,0,0]=4 847 B12R1.17 CCOC(=O)c1cc(Cl)ccn1 1P00EDDH [0,1,0,0,0,1|2,0,0]=4 848 B12R1.17 CCOC(=O)c1cc(Cl)ncn1 1P00DID6 [0,1,0,0,0,1|2,0,0]=4 849 B12R1.17 CCOC(=O)c1cc(N)ccn1 1P003L5I [0,1,0,0,0,1|2,0,0]=4 850 B12R1.17 CCOC(=O)c1cc(O)ccn1 1P00DGR5 [0,1,0,0,0,1|2,0,0]=4 851 B12R1.17 CCOC(=O)c1cc[nH]c(=O)c1 1P00ELAC [0,1,0,0,0,1|2,0,0]=4 852 B12R1.17 CCOC(=O)c1ccc[n+](c1)[O-] 1P001LUA [0,1,0,0,0,1|2,0,0]=4 853 B12R1.17 CCOC(=O)c1cccc(c1)Br 1P007NYW [0,1,0,0,0,1|2,0,0]=4 854 B12R1.17 CCOC(=O)c1cccc(c1)C 1P000QHS [0,1,0,0,0,1|2,0,0]=4 855 B12R1.17 CCOC(=O)c1cccc(c1)Cl 1P003QO5 [0,1,0,0,0,1|2,0,0]=4 856 B12R1.17 CCOC(=O)c1cccc(c1)F 1P00396N [0,1,0,0,0,1|2,0,0]=4 857 B12R1.17 CCOC(=O)c1cccc(c1)I 1P00E9ZQ [0,1,0,0,0,1|2,0,0]=4 858 B12R1.17 CCOC(=O)c1cccc(c1)N 1P003QNR [0,1,0,0,0,1|2,0,0]=4 859 B12R1.17 CCOC(=O)c1cccc(c1)N 1P008A2O [0,1,0,0,0,1|2,0,0]=4 860 B12R1.17 CCOC(=O)c1cccc(c1)O 1P003QOJ [0,1,0,0,0,1|2,0,0]=4 861 B12R1.17 CCOC(=O)c1cccc(c1)S 1P0071WD [0,1,0,0,0,1|2,0,0]=4 862 B12R1.17 CCOC(=O)c1cccc(n1)Br 1P003NLP [0,1,0,0,0,1|2,0,0]=4 863 B12R1.17 CCOC(=O)c1cccc(n1)Cl 1P00BFUL [0,1,0,0,0,1|2,0,0]=4 864 B12R1.17 CCOC(=O)c1cccc(n1)F 1P008U8W [0,1,0,0,0,1|2,0,0]=4 865 B12R1.17 CCOC(=O)c1cccc(n1)N 1P005XPU [0,1,0,0,0,1|2,0,0]=4 866 B12R1.17 CCOC(=O)c1cccc(n1)N 1P028H1C [0,1,0,0,0,1|2,0,0]=4 867 B12R1.17 CCOC(=O)c1cccc(n1)O 1P00DB6H [0,1,0,0,0,1|2,0,0]=4 868 B12R1.17 CCOC(=O)c1ccnc(c1)Br 1P00390N [0,1,0,0,0,1|2,0,0]=4 869 B12R1.17 CCOC(=O)c1ccnc(c1)C 1P00C4P1 [0,1,0,0,0,1|2,0,0]=4 870 B12R1.17 CCOC(=O)c1ccnc(c1)Cl 1P00DEHZ [0,1,0,0,0,1|2,0,0]=4 871 B12R1.17 CCOC(=O)c1ccnc(c1)F 1P01DL90 [0,1,0,0,0,1|2,0,0]=4 872 B12R1.17 CCOC(=O)c1ccnc(c1)N 1P003H06 [0,1,0,0,0,1|2,0,0]=4 873 B12R1.17 CCOC(=O)c1ccnc(n1)Br 1P0094GZ [0,1,0,0,0,1|2,0,0]=4 874 B12R1.17 CCOC(=O)c1ccnc(n1)C 1P008OMS [0,1,0,0,0,1|2,0,0]=4 875 B12R1.17 CCOC(=O)c1ccnc(n1)Cl 1P000PS9 [0,1,0,0,0,1|2,0,0]=4 876 B12R1.17 CCOC(=O)c1ccnc(n1)N 1P006G9D [0,1,0,0,0,1|2,0,0]=4 877 B12R1.17 CCOC(=O)c1cncc(c1)Br 1P002KXB [0,1,0,0,0,1|2,0,0]=4 878 B12R1.17 CCOC(=O)c1cncc(c1)C 1P002K2J [0,1,0,0,0,1|2,0,0]=4 879 B12R1.17 CCOC(=O)c1cncc(c1)Cl 1P002K2L [0,1,0,0,0,1|2,0,0]=4 880 B12R1.17 CCOC(=O)c1cncc(c1)F 1P007ONB [0,1,0,0,0,1|2,0,0]=4 881 B12R1.17 CCOC(=O)c1cncc(c1)I 1P00IT6J [0,1,0,0,0,1|2,0,0]=4 882 B12R1.17 CCOC(=O)c1cncc(c1)N 1P00ACTO [0,1,0,0,0,1|2,0,0]=4 883 B12R1.17 CCOC(=O)c1cncc(c1)O 1P00EDFW [0,1,0,0,0,1|2,0,0]=4 884 B12R1.17 CCOC(=O)c1cncc(n1)Cl 1P001W74 [0,1,0,0,0,1|2,0,0]=4 885 B12R1.17 CCOC(=O)c1nccc(c1)C 1P00EGMT [0,1,0,0,0,1|2,0,0]=4 886 B12R1.17 CCOC(=O)c1nccc(n1)Cl 1P01BGRT [0,1,0,0,0,1|2,0,0]=4 887 B12R1.17 CCOC(=O)c1nccc(n1)N 1P005U77 [0,1,0,0,0,1|2,0,0]=4 888 B12R1.17 COCC(=O)c1cccc(c1)Cl 1P01BC5C [0,1,0,0,0,1|2,0,0]=4 889 B12R1.30 BrCCNC(=O)c1ccccn1 1P00ICNL [0,1,0,0,0,1|2,0,0]=4 890 B12R1.30 BrCCOC(=O)c1ccccc1 1P0032Q6 [0,1,0,0,0,1|2,0,0]=4 891 B12R1.30 C#CCCC(=O)c1ccccc1 1P01DZL3 [0,1,0,0,0,1|1,0,1]=4 892 B12R1.30 C=CCCC(=O)c1ccccc1 1P00C8HW [0,1,0,0,0,1|1,0,1]=4 893 B12R1.30 CCCCC(=O)c1ccccc1 1P0003LL [0,1,0,0,0,1|1,0,0]=3 894 B12R1.30 CCCCC(=O)c1cccnc1 1P0079EW [0,1,0,0,0,1|1,0,0]=3 895 B12R1.30 CCCCC(=O)c1ccncc1 1P00ARKV [0,1,0,0,0,1|1,0,0]=3 896 B12R1.30 CCCNC(=O)c1ccccc1 1P007WVC [0,1,0,0,0,1|1,0,0]=3 897 B12R1.30 CCCNC(=O)c1cccnc1 1P01BVOT [0,1,0,0,0,1|1,0,0]=3 898 B12R1.30 CCCOC(=O)c1ccccc1 1P002MUW [0,1,0,0,0,1|1,0,0]=3 899 B12R1.30 CCCOC(=O)c1cccnc1 1P00G87P [0,1,0,0,0,1|1,0,0]=3 900 B12R1.30 CCONC(=O)c1ccccc1 1P006Y6K [0,1,0,0,0,1|2,0,0]=4 901 B12R1.30 CCSCC(=O)c1ccccc1 1P0008NQ [0,1,0,0,0,1|1,0,0]=3 902 B12R1.30 CNCCC(=O)c1ccccc1 1P00I5B3 [0,1,0,0,0,1|1,0,0]=3 903 B12R1.30 COCCC(=O)c1ccccc1 1P01A2HK [0,1,0,0,0,1|1,0,0]=3 904 B12R1.30 ClCCCC(=O)c1ccccc1 1P0034GQ [0,1,0,0,0,1|1,0,0]=3 905 B12R1.30 ClCCNC(=O)c1ccccc1 1P002TGB [0,1,0,0,0,1|2,0,0]=4 906 B12R1.30 ClCCOC(=O)c1ccccc1 1P003HIW [0,1,0,0,0,1|2,0,0]=4 907 B12R1.30 FCCNC(=O)c1ccccc1 1P01IDSX [0,1,0,0,0,1|2,0,0]=4 908 B12R1.30 N#CCCC(=O)c1ccccc1 1P003MER [0,1,0,0,0,1|1,0,1]=4 909 B12R1.30 N#CCCC(=O)c1cccnc1 1P00C8J0 [0,1,0,0,0,1|1,0,1]=4 910 B12R1.30 N#CCCC(=O)c1ccncc1 1P0282WY [0,1,0,0,0,1|1,0,1]=4 911 B12R1.30 NCCNC(=O)c1ccccc1 1P00ASHH [0,1,0,0,0,1|2,0,0]=4 912 B12R1.30 NCCNC(=O)c1cccnc1 1P00IMOH [0,1,0,0,0,1|2,0,0]=4 913 B12R1.30 NCCNC(=O)c1cccnc1 1P00J3L1 [0,1,0,0,0,1|2,0,0]=4 914 B12R1.30 NCCNC(=O)c1ccncc1 1P01FLUW [0,1,0,0,0,1|2,0,0]=4 915 B12R1.30 NCCNC(=O)c1cnccn1 1P00HAO2 [0,1,0,0,0,1|2,0,0]=4 916 B12R1.30 OCCCC(=O)c1ccccc1 1P0077WH [0,1,0,0,0,1|1,0,0]=3 917 B12R1.30 OCCCC(=O)c1cccnc1 1P00EFC0 [0,1,0,0,0,1|1,0,0]=3 918 B12R1.30 OCCNC(=O)c1ccccc1 1P002HBP [0,1,0,0,0,1|2,0,0]=4 919 B12R1.30 OCCNC(=O)c1cccnc1 1P00EISS [0,1,0,0,0,1|2,0,0]=4 920 B12R1.30 OCCNC(=O)c1ccncc1 1P00EAZ1 [0,1,0,0,0,1|2,0,0]=4 921 B12R1.30 OCCNC(=O)c1cnccn1 1P004OTW [0,1,0,0,0,1|2,0,0]=4 922 B12R1.30 OCCOC(=O)c1ccccc1 1P00GXUZ [0,1,0,0,0,1|2,0,0]=4 923 B12R1.30 OCCOC(=O)c1cccnc1 1P00CVQS [0,1,0,0,0,1|2,0,0]=4 924 B12R1.30 SCCNC(=O)c1ccccc1 1P02911S [0,1,0,0,0,1|2,0,0]=4 925 B12R1.34 CCC(=O)C(=O)c1ccccc1 1P01EKKA [0,1,0,0,0,1|1,0,1]=4 926 B12R1.34 CCC(C(=O)c1ccccc1)Br 1P00GWZY [0,1,0,0,0,1|1,0,0]=3 927 B12R1.34 CCC(C(=O)c1ccccc1)N 1P01EAC5 [0,1,0,0,0,1|1,0,0]=3 928 B12R1.34 OCC(C(=O)c1ccccc1)C 1P001XS0 [0,1,0,0,0,1|2,0,0]=4 929 B12R1.107 CC(=O)CC(=O)c1ccccn1 1P00CHQ6 [0,1,0,0,0,1|1,0,1]=4 930 B12R1.107 CC(=O)CC(=O)c1cccnc1 1P007DNH [0,1,0,0,0,1|1,0,1]=4 931 B12R1.107 CC(CC(=O)c1ccccc1)C 1P00IATM [0,1,0,0,0,1|1,0,0]=3 932 B12R1.107 CC(CC(=O)c1ccccc1)N 1P01A02K [0,1,0,0,0,1|1,0,0]=3 933 B12R1.107 CC(CC(=O)c1ccccn1)C 1P005LDF [0,1,0,0,0,1|1,0,0]=3 934 B12R1.107 CC(CC(=O)c1cccnc1)C 1P008K17 [0,1,0,0,0,1|1,0,0]=3 935 B12R1.107 CC(CC(=O)c1ccncc1)C 1P01C5MA [0,1,0,0,0,1|1,0,0]=3 936 B12R1.107 CC(CC(=O)c1cncnc1)C 1P0285TH [0,1,0,0,0,1|2,0,0]=4 937 B12R1.107 CC(NC(=O)c1ccccc1)C 1P00DJ14 [0,1,0,0,0,1|2,0,0]=4 938 B12R1.107 CC(OC(=O)c1ccccc1)C 1P00GSIP [0,1,0,0,0,1|2,0,0]=4 939 B12R1.107 CC(OC(=O)c1cccnc1)C 1P00DCI7 [0,1,0,0,0,1|2,0,0]=4 940 B12R1.107 CN(CC(=O)c1ccccc1)C 1P00CNM0 [0,1,0,0,0,1|2,0,0]=4 941 B12R1.107 O=C(c1ccccc1)CC(=O)C 1P003F29 [0,1,0,0,0,1|1,0,1]=4 942 B12R1.107 O=C(c1ccccc1)C[S+](C)C 1P002PYK [0,1,0,0,0,1|2,0,0]=4 943 B12R1.107 O=C(c1ccncc1)CC(=O)C 1P005S1N [0,1,0,0,0,1|1,0,1]=4 944 B12R1.308 CCCC(=O)c1ccccc1Cl 1P01DWP9 [0,1,0,0,0,1|1,0,0]=3 945 B12R1.308 CCCC(=O)c1ccccc1O 1P002XD6 [0,1,0,0,0,1|1,0,0]=3 946 B12R1.308 CCNC(=O)c1ccccc1Br 1P005E2H [0,1,0,0,0,1|2,0,0]=4 947 B12R1.308 CCNC(=O)c1ccccc1N 1P00CHT6 [0,1,0,0,0,1|2,0,0]=4 948 B12R1.308 CCNC(=O)c1ccccc1O 1P00DDNV [0,1,0,0,0,1|2,0,0]=4 949 B12R1.308 CCNC(=O)c1cccnc1Cl 1P00DD6L [0,1,0,0,0,1|2,0,0]=4 950 B12R1.308 CCNC(=O)c1cccnc1N 1P018VC7 [0,1,0,0,0,1|2,0,0]=4 951 B12R1.308 CCNC(=O)c1ccncc1N 1P01XC1O [0,1,0,0,0,1|2,0,0]=4 952 B12R1.308 CCOC(=O)c1ccc[nH]c1=O 1P002V97 [0,1,0,0,0,1|2,0,0]=4 953 B12R1.308 CCOC(=O)c1ccccc1Br 1P003QKA [0,1,0,0,0,1|2,0,0]=4 954 B12R1.308 CCOC(=O)c1ccccc1C 1P0035BA [0,1,0,0,0,1|2,0,0]=4 955 B12R1.308 CCOC(=O)c1ccccc1Cl 1P003QKF [0,1,0,0,0,1|2,0,0]=4 956 B12R1.308 CCOC(=O)c1ccccc1F 1P003HS7 [0,1,0,0,0,1|2,0,0]=4 957 B12R1.308 CCOC(=O)c1ccccc1I 1P0024OX [0,1,0,0,0,1|2,0,0]=4 958 B12R1.308 CCOC(=O)c1ccccc1O 1P0033TD [0,1,0,0,0,1|2,0,0]=4 959 B12R1.308 CCOC(=O)c1cccnc1Br 1P00DC70 [0,1,0,0,0,1|2,0,0]=4 960 B12R1.308 CCOC(=O)c1cccnc1Cl 1P0035B7 [0,1,0,0,0,1|2,0,0]=4 961 B12R1.308 CCOC(=O)c1cccnc1F 1P000AHN [0,1,0,0,0,1|2,0,0]=4 962 B12R1.308 CCOC(=O)c1cccnc1N 1P003QK3 [0,1,0,0,0,1|2,0,0]=4 963 B12R1.308 CCOC(=O)c1cccnc1S 1P019MY2 [0,1,0,0,0,1|2,0,0]=4 964 B12R1.308 CCOC(=O)c1ccncc1Br 1P001BSJ [0,1,0,0,0,1|2,0,0]=4 965 B12R1.308 CCOC(=O)c1ccncc1Cl 1P00C4NJ [0,1,0,0,0,1|2,0,0]=4 966 B12R1.308 CCOC(=O)c1ccncc1N 1P001I6S [0,1,0,0,0,1|2,0,0]=4 967 B12R1.308 CCOC(=O)c1ccncc1O 1P00280S [0,1,0,0,0,1|2,0,0]=4 968 B12R1.308 CCOC(=O)c1cnccc1Cl 1P00205S [0,1,0,0,0,1|2,0,0]=4 969 B12R1.308 CCOC(=O)c1cnccc1N 1P00AQA3 [0,1,0,0,0,1|2,0,0]=4 970 B12R1.308 CCOC(=O)c1ncccc1Br 1P00I8SC [0,1,0,0,0,1|2,0,0]=4 971 B12R1.308 CCOC(=O)c1ncccc1C 1P003QOV [0,1,0,0,0,1|2,0,0]=4 972 B12R1.308 CCOC(=O)c1ncccc1Cl 1P009DDO [0,1,0,0,0,1|2,0,0]=4 973 B12R1.308 CCOC(=O)c1ncccc1F 1P008UF6 [0,1,0,0,0,1|2,0,0]=4 974 B12R1.308 CCOC(=O)c1ncccc1N 1P002UFI [0,1,0,0,0,1|2,0,0]=4 975 B12R1.308 CCOC(=O)c1ncccc1O 1P00FEVV [0,1,0,0,0,1|2,0,0]=4 976 B12R1.308 CCOC(=O)c1nccnc1Cl 1P006PXP [0,1,0,0,0,1|2,0,0]=4 977 B12R1.308 CCOC(=O)c1nccnc1N 1P003QNV [0,1,0,0,0,1|2,0,0]=4 978 B12R1.308 CCOC(=O)c1ncncc1Br 1P003QT0 [0,1,0,0,0,1|2,0,0]=4 979 B12R1.308 CCOC(=O)c1ncncc1I 1P0291WS [0,1,0,0,0,1|2,0,0]=4 980 B12R1.308 CCOC(=O)c1ncncc1N 1P00F2ZQ [0,1,0,0,0,1|2,0,0]=4 981 B12R1.308 CNCC(=O)c1ccccc1Cl 1P01BILJ [0,1,0,0,0,1|2,0,0]=4 982 B12R1.308 COCC(=O)c1ccccc1Cl 1P028NT2 [0,1,0,0,0,1|2,0,0]=4 983 B12R1.308 COCC(=O)c1ccccc1F 1P0285IF [0,1,0,0,0,1|2,0,0]=4 984 B12R1.308 Cc1ccncc1C(=O)OCC 1P00DIJF [0,1,0,0,0,1|2,0,0]=4 985 B12R1.308 Cc1ncccc1C(=O)OCC 1P003QLI [0,1,0,0,0,1|2,0,0]=4 986 B12R1.308 Cc1nccnc1C(=O)OCC 1P006UJF [0,1,0,0,0,1|2,0,0]=4 987 B12R1.308 ClCCC(=O)c1ccccc1F 1P00GTV0 [0,1,0,0,0,1|2,0,0]=4 988 B12R1.308 ClCCC(=O)c1ccccc1O 1P00I7LN [0,1,0,0,0,1|2,0,0]=4 989 B12R1.308 NCCC(=O)c1ccccc1N 1P0030GO [0,1,0,0,0,1|2,0,0]=4 990 B12R1.308 NCCC(=O)c1ccccc1N 1P01BAEY [0,1,0,0,0,1|2,0,0]=4 991 B12R1.31 CCOC(=O)\C=C/1\OC(=O)C=C1 1P01DHR8 [0,1,0,0,0,1|1,0,0]=3 992 B12R1.53 COCCC(Cc1ccco1)N 1P01A6WT [0,1,0,0,0,1|1,0,1]=4 993 B12R1.55 CCOC(=O)C(=O)c1[nH]ccc1 1P01A2T8 [0,1,0,0,0,1|2,0,0]=4 994 B12R1.55 CCOC(=O)C(=O)c1cccs1 1P003QXQ [0,1,0,0,0,1|1,1,0]=4 995 B12R1.55 CCOC(=O)C(c1cccs1)F 1P021R1N [0,1,0,0,0,1|1,1,0]=4 996 B12R1.318 CCCC(=O)Cc1nccn1C 1P028DB2 [0,1,0,0,0,1|2,0,0]=4 997 B12R1.295 CCC=C(c1ccco1)C(=O)[O-] 1P0071K7 [0,2,0,0,0,0|0,0,1]=3 998 B12R1.295 CO\N=C(\c1ccco1)/C(=O)[O-] 1P00IKDG [0,2,0,0,0,0|2,0,0]=4 999 B12R1.29 CCCNC(=O)c1ccc(o1)Br 1P00DB7Z [0,2,0,0,0,0|0,0,0]=2 1000 B12R1.29 CCCNC(=O)c1ccc(s1)Br 1P00GU8Y [0,2,0,0,0,0|0,1,0]=3 1001 B12R1.29 CCCOC(=O)c1csc(c1)Br 1P01BC8V [0,2,0,0,0,0|2,0,0]=4 1002 B12R1.29 COCCC(c1ccc(o1)C)N 1P01A5KT [0,2,0,0,0,0|1,0,1]=4 1003 B12R1.29 ClCCCC(=O)c1ccc(s1)Br 1P01AGNK [0,2,0,0,0,0|0,1,0]=3 1004 B12R1.33 CC(C(=O)c1ccc(s1)Cl)NC 1P027SYZ [0,2,0,0,0,0|1,1,0]=4 1005 B12R1.33 COC(=O)C(=O)c1cc(co1)Br 1P028TVA [0,2,0,0,0,0|1,0,1]=4 1006 B12R1.103 CC(NC(=O)c1ccc(o1)Br)C 1P00BF90 [0,2,0,0,0,0|1,0,0]=3 1007 B12R1.103 CC(NC(=O)c1ccc(s1)Br)C 1P00GUA4 [0,2,0,0,0,0|1,1,0]=4 1008 B12R1.312 CCOC(=O)c1cc(c[nH]1)C#N 1P00IIPL [0,2,0,0,0,0|2,0,0]=4 1009 B12R1.312 CCOC(=O)c1cc(c[nH]1)C=O 1P0035BZ [0,2,0,0,0,0|2,0,0]=4 1010 B12R1.312 CCOC(=O)c1ccc([nH]1)C=O 1P005WAH [0,2,0,0,0,0|2,0,0]=4 1011 B12R1.312 CCOC(=O)c1ccc([nH]1)CC 1P00CUTB [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.312 CCOC(=O)c1ccc(o1)C=O 1P00BKRP [0,2,0,0,0,0|1,0,0]=3 1013 B12R1.312 CCOC(=O)c1ccc(o1)CCl 1P003QSI [0,2,0,0,0,0|1,0,0]=3 1014 B12R1.312 CCOC(=O)c1ccc(o1)CN 1P00J3WO [0,2,0,0,0,0|1,0,0]=3 1015 B12R1.312 CCOC(=O)c1cnc(o1)C=C 1P000OZS [0,2,0,0,0,0|2,0,0]=4 1016 B12R1.312 CCOC(=O)c1cnc(o1)NC 1P01EJPY [0,2,0,0,0,0|2,0,0]=4 1017 B12R1.312 CCOC(=O)c1scc(c1)CN 1P028DHG [0,2,0,0,0,0|1,1,0]=4 1018 B12R1.313 CCCC(=O)c1cc(sc1C)C 1P006WH0 [0,2,0,0,0,0|2,0,0]=4 1019 B12R1.313 CCOC(=O)c1[nH]c(cc1C)C 1P003QNE [0,2,0,0,0,0|2,0,0]=4 1020 B12R1.313 CCOC(=O)c1[nH]c(cc1N)C 1P0002QA [0,2,0,0,0,0|2,0,0]=4 1021 B12R1.313 CCOC(=O)c1oc(nc1Br)C 1P01APHI [0,2,0,0,0,0|2,0,0]=4 1022 B12R1.313 CCOC(=O)c1oc(nc1C)C 1P002MBF [0,2,0,0,0,0|2,0,0]=4 1023 B12R1.313 Cc1cc(sc1C(=O)OCC)N 1P004BHH [0,2,0,0,0,0|1,1,0]=4 1024 B12R1.313 Cc1cc(sc1C(=O)OCC)N 1P00C7V4 [0,2,0,0,0,0|1,1,0]=4 1025 B12R1.313 Cc1nc(oc1C(=O)OCC)Br 1P005BJX [0,2,0,0,0,0|2,0,0]=4 1026 B12R1.313 Cc1nc(oc1C(=O)OCC)N 1P008N32 [0,2,0,0,0,0|2,0,0]=4 1027 B12R1.313 Cn1cc(cc1C(=O)OCC)N 1P019TBV [0,2,0,0,0,0|2,0,0]=4 1028 B12R1.314 CCNC(=O)c1cc(c(s1)C)N 1P01BS5Q [0,2,0,0,0,0|1,1,0]=4 1029 B12R1.314 CCOC(=O)c1[nH]c(c(c1)C)C 1P00BCFD [0,2,0,0,0,0|2,0,0]=4 1030 B12R1.314 CCOC(=O)c1cc(c([nH]1)C)Br 1P00I5EP [0,2,0,0,0,0|2,0,0]=4 1031 B12R1.314 CCOC(=O)c1cc(c(s1)Br)C 1P01X01T [0,2,0,0,0,0|1,1,0]=4 1032 B12R1.314 CCOC(=O)c1cc(c(s1)Cl)C 1P005WI1 [0,2,0,0,0,0|1,1,0]=4 1033 B12R1.314 CCOC(=O)c1oc(c(n1)C)C 1P00C9TO [0,2,0,0,0,0|2,0,0]=4 1034 B12R1.314 CCOC(=O)c1sc(c(c1)Cl)Cl 1P000V2U [0,2,0,0,0,0|1,1,0]=4 1035 B12R1.1579 CCOC(=O)c1[nH]cc(c1C)C 1P006CJ4 [0,2,0,0,0,0|2,0,0]=4 1036 B12R1.1579 CCOC(=O)c1c(N)c(c[nH]1)Br 1P0041R6 [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.1579 CCOC(=O)c1ccc(n1C)C 1P01A0H1 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.1579 CCOC(=O)c1onc(c1N)C 1P01SO8R [0,2,0,0,0,0|2,0,0]=4 1039 B12R1.1579 Cc1c(C(=O)OCC)[nH]cc1I 1P027VOS [0,2,0,0,0,0|2,0,0]=4 1040 B12R1.1579 Cc1c(onc1Br)C(=O)OCC 1P028QAO [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.1579 Cc1c(scc1Br)C(=O)OCC 1P01ELLW [0,2,0,0,0,0|1,1,0]=4 1042 B12R1.15 CCC(=O)CC(=O)c1ccco1 1P020M30 [0,2,0,0,0,0|0,0,0]=2 1043 B12R1.15 COC(=O)CC(=O)c1ccc[nH]1 1P028W21 [0,2,0,0,0,0|1,0,1]=4 1044 B12R1.15 COC(=O)CC(=O)c1ccco1 1P003S4M [0,2,0,0,0,0|0,0,1]=3 1045 B12R1.15 COC(=O)CC(=O)c1cccs1 1P0080E6 [0,2,0,0,0,0|0,1,1]=4 1046 B12R1.15 ClCC(=O)NC(=O)c1ccco1 1P019Q2Z [0,2,0,0,0,0|1,0,1]=4 1047 B12R1.35 CC#CC#CC(=O)c1ccco1 1P028GSA [0,2,0,0,0,0|0,0,2]=4 1048 B12R1.35 CC#CCNC(=O)c1ccco1 1P01BRMH [0,2,0,0,0,0|0,0,1]=3 1049 B12R1.35 CCCCCC(=O)c1ccco1 1P003HTQ [0,2,0,0,0,0|0,0,0]=2 1050 B12R1.35 NCCCNC(=O)c1cccs1 1P01A8W2 [0,2,0,0,0,0|0,1,0]=3 1051 B12R1.35 O=C(C1=CC=CS1)CCOCC 1P01JYE8 [0,2,0,0,0,0|0,1,0]=3 1052 B12R1.54 CC(CCC(=O)c1cocc1)C 1P00DJXQ [0,2,0,0,0,0|2,0,0]=4 1053 B12R1.54 CC(COC(=O)c1ccco1)C 1P0028VC [0,2,0,0,0,0|0,0,0]=2 1054 B12R1.54 CN(C=CC(=O)c1ccco1)C 1P01FT4J [0,2,0,0,0,0|0,0,2]=4 1055 B12R1.54 CN(CCC(=O)c1cccs1)C 1P00IA5H [0,2,0,0,0,0|0,1,0]=3 1056 B12R1.54 OC(=O)CCC(=O)c1ccc[nH]1 1P01A2XW [0,2,0,0,0,0|1,0,1]=4 1057 B12R1.54 OC(=O)CCC(=O)c1cccs1 1P00DF44 [0,2,0,0,0,0|0,1,1]=4 1058 B12R1.54 OC(=O)CNC(=O)c1ccco1 1P0035QV [0,2,0,0,0,0|1,0,1]=4 1059 B12R1.99 CCCNS(=O)(=O)c1cccs1 1P019PEF [0,2,0,0,0,0|1,1,0]=4 1060 B12R1.460 NCCNC(=O)c1cccn1C 1P019LMG [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.74 CCC(C(=O)c1cscc1)C#N 1P01C63R [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.265 O=C(c1ccc[nH]1)NC(C)(C)C 1P000K72 [0,2,0,0,0,0|2,0,0]=4 1063 B12R1.265 O=C(c1ccc[nH]1)OC(C)(C)C 1P028FAO [0,2,0,0,0,0|2,0,0]=4 1064 B12R1.265 O=C(c1ccco1)NC(C)(C)C 1P00IKJ6 [0,2,0,0,0,0|1,0,0]=3 1065 B12R1.265 O=C(c1cccs1)OC(C)(C)C 1P00H7EV [0,2,0,0,0,0|1,1,0]=4 1066 B12R1.265 O=C(c1ocnc1)OC(C)(C)C 1P02860H [0,2,0,0,0,0|2,0,0]=4 1067 B12R1.265 O=C(c1scnc1)CC(C)(C)C 1P0284KB [0,2,0,0,0,0|1,1,0]=4 1068 B12R1.316 CCOC(=O)c1[nH]ccc1C#N 1P006ADC [0,2,0,0,0,0|2,0,0]=4 1069 B12R1.316 CCOC(=O)c1[nH]ccc1C=O 1P00CL45 [0,2,0,0,0,0|2,0,0]=4 1070 B12R1.316 CCOC(=O)c1[nH]ccc1CO 1P00G9ZC [0,2,0,0,0,0|2,0,0]=4 1071 B12R1.316 CCOC(=O)c1sccc1CCl 1P00248F [0,2,0,0,0,0|1,1,0]=4 1072 B12R1.316 CCOC(=O)c1sccc1CN 1P027ZTY [0,2,0,0,0,0|1,1,0]=4 1073 B12R1.1589 CCOC(=O)c1c(N)ccn1C 1P01C4MR [0,2,0,0,0,0|2,0,0]=4 1074 B10R1.10 CCCc1cccc(c1)Br 1P002BVS [0,0,1,1,0,0|2,0,0]=4 1075 B10R1.10 CCCc1cccc(c1)Cl 1P00F1D1 [0,0,1,1,0,0|2,0,0]=4 1076 B10R1.10 CCCc1cccc(c1)F 1P002W84 [0,0,1,1,0,0|2,0,0]=4 1077 B10R1.10 CCCc1cccc(c1)N 1P01A0L3 [0,0,1,1,0,0|2,0,0]=4 1078 B10R1.10 CCCc1cccc(c1)N 1P01B8B7 [0,0,1,1,0,0|2,0,0]=4 1079 B10R1.10 CCCc1cccc(c1)O 1P003KAZ [0,0,1,1,0,0|1,0,0]=3 1080 B10R1.10 CCCc1cccc(n1)N 1P00C7SD [0,0,1,1,0,0|2,0,0]=4 1081 B10R1.10 CCCc1cncc(c1)O 1P01B7H3 [0,0,1,1,0,0|2,0,0]=4 1082 B10R1.10 CCNc1cccc(c1)O 1P000XKE [0,0,1,1,0,0|2,0,0]=4 1083 B10R1.10 CCNc1cccc(c1)O 1P00EUNZ [0,0,1,1,0,0|2,0,0]=4 1084 B10R1.10 CCOc1cccc(c1)O 1P003JUL [0,0,1,1,0,0|2,0,0]=4 1085 B10R1.10 CNCc1cccc(c1)O 1P000LPH [0,0,1,1,0,0|2,0,0]=4 1086 B10R1.10 COCc1cccc(c1)O 1P00IANX [0,0,1,1,0,0|2,0,0]=4 1087 B10R1.10 NCCc1cccc(c1)O 1P003K1G [0,0,1,1,0,0|2,0,0]=4 1088 B10R1.10 NCCc1cccc(c1)O 1P00C9GZ [0,0,1,1,0,0|2,0,0]=4 1089 B10R1.10 NCCc1cccc(c1)O 1P00EA8W [0,0,1,1,0,0|2,0,0]=4 1090 B10R1.10 OCCc1cccc(c1)O 1P0071LP [0,0,1,1,0,0|2,0,0]=4 1091 B10R1.96 CCCc1ccc(o1)C=O 1P001KVP [0,0,1,1,0,0|0,0,2]=4 1092 B10R1.96 CCCc1ccc(s1)C=O 1P00C0HA [0,0,1,1,0,0|0,1,1]=4 1093 B10R1.245 CCc1c(O)cccc1Cl 1P028XUE [0,0,1,1,0,0|1,0,1]=4 1094 B10R1.245 CCc1c(O)cccc1F 1P0287Y4 [0,0,1,1,0,0|1,0,1]=4 1095 B10R1.2 CCn1cccc(c1=O)N 1P01C39W [0,0,1,1,0,0|2,0,0]=4 1096 B10R1.2 CCn1cccc(c1=O)O 1P01EMVK [0,0,1,1,0,0|1,0,0]=3 1097 B10R1.4 BrCCc1ccccc1O 1P00ELH4 [0,0,1,1,0,0|2,0,0]=4 1098 B10R1.4 CCCc1ccccc1Br 1P01A28R [0,0,1,1,0,0|2,0,0]=4 1099 B10R1.4 CCCc1ccccc1I 1P007DSL [0,0,1,1,0,0|2,0,0]=4 1100 B10R1.4 CCCc1ccccc1N 1P0023UO [0,0,1,1,0,0|2,0,0]=4 1101 B10R1.4 CCCc1ccccc1N 1P028ATX [0,0,1,1,0,0|2,0,0]=4 1102 B10R1.4 CCNc1ccccc1O 1P0037GB [0,0,1,1,0,0|2,0,0]=4 1103 B10R1.4 CCNc1ccccc1O 1P0282E1 [0,0,1,1,0,0|2,0,0]=4 1104 B10R1.4 CCOC1=CCCCC1=O 1P007KGX [0,0,1,1,0,0|0,0,2]=4 1105 B10R1.4 CCOc1ncccc1O 1P002HLC [0,0,1,1,0,0|2,0,0]=4 1106 B10R1.4 CCSc1ccccc1O 1P002Z6A [0,0,1,1,0,0|2,0,0]=4 1107 B10R1.4 CNCc1ccccc1O 1P003HWH [0,0,1,1,0,0|2,0,0]=4 1108 B10R1.4 CNCc1ccccc1O 1P00IBRS [0,0,1,1,0,0|2,0,0]=4 1109 B10R1.4 CNCc1ccccc1O 1P019NN0 [0,0,1,1,0,0|2,0,0]=4 1110 B10R1.4 COCc1ccccc1O 1P00EIVC [0,0,1,1,0,0|2,0,0]=4 1111 B10R1.4 NCCc1ccccc1O 1P0029N4 [0,0,1,1,0,0|2,0,0]=4 1112 B10R1.4 NCCc1ccccc1O 1P019VVD [0,0,1,1,0,0|2,0,0]=4 1113 B10R2.5 CC1CC1c2ccco2 1P019PA5 [1,0,0,1,0,0|1,0,1]=4 1114 B10R2.32 C1CC(=O)c2c1[nH]cc2 1P027Q2J [1,0,0,1,0,0|2,0,0]=4 1115 B10R2.32 C1CC(=O)c2c1c[nH]c2 1P005TWG [1,0,0,1,0,0|2,0,0]=4 1116 B10R2.32 C1CC(=O)c2c1scc2 1P00EDFN [1,0,0,1,0,0|2,0,0]=4 1117 B10R2.32 C1CC(=O)c2n1cnc2 1P007M3O [1,0,0,1,0,0|2,0,0]=4 1118 B10R2.32 O=C1CCc2c1scc2 1P00EDFL [1,0,0,1,0,0|0,1,0]=3 1119 B10R2.32 O=C1CCn2c1ccc2 1P00AEL2 [1,0,0,1,0,0|1,0,0]=3 1120 B10R2.32 O=C1CCn2c1ncc2 1P009QJN [1,0,0,1,0,0|2,0,0]=4 1121 B10R2.32 O=C1NCc2c1scc2 1P00G7J7 [1,0,0,1,0,0|1,1,0]=4 1122 B10R2.7 C1CCc2c(C1)[nH]cc2 1P009BUI [1,0,0,1,0,0|1,0,1]=4 1123 B10R2.7 C1CCc2c(C1)scc2 1P000WBZ [1,0,0,1,0,0|0,1,1]=4 1124 B10R2.7 C1NCc2c(C1)cco2 1P023ZL7 [1,0,0,1,0,0|1,0,1]=4 1125 B10R2.7 C1NCc2c(C1)occ2 1P001MZ7 [1,0,0,1,0,0|1,0,1]=4 1126 B12R2.2 c1ccc(cc1)C2=CCCC2 1P008JAV [0,0,0,1,0,1|2,0,0]=4 1127 B12R2.2 c1ccc(cc1)C2=NCCC2 1P005M0Z [0,0,0,1,0,1|2,0,0]=4 1128 B12R2.2 c1ccc(cn1)C2=NCCC2 1P003SNG [0,0,0,1,0,1|2,0,0]=4 1129 B12R2.116 O=P1(CCC1)c2ccccc2 1P028MQ7 [0,0,0,1,0,1|2,0,0]=4 1130 B12R2.1081 C=C1CCCc2c1nccc2 1P01EMJL [0,0,0,1,0,1|2,0,0]=4 1131 B12R2.1081 O=C1CCC[n+]2c1cccc2 1P00E1MA [0,0,0,1,0,1|1,0,0]=3 1132 B12R2.1081 O=C1CCCc2c1cccc2 1P0033AS [0,0,0,1,0,1|1,0,0]=3 1133 B12R2.1081 O=C1CCCc2c1cccn2 1P00D8W4 [0,0,0,1,0,1|1,0,0]=3 1134 B12R2.1081 O=C1CCCc2c1cccn2 1P00H3KN [0,0,0,1,0,1|1,0,0]=3 1135 B12R2.1081 O=C1CCCc2c1ccnc2 1P007GZF [0,0,0,1,0,1|1,0,0]=3 1136 B12R2.1081 O=C1CCCc2c1ccnc2 1P00I4PZ [0,0,0,1,0,1|1,0,0]=3 1137 B12R2.1081 O=C1CCCc2c1cncc2 1P009X0D [0,0,0,1,0,1|1,0,0]=3 1138 B12R2.1081 O=C1CCCc2c1cncc2 1P00I4Q0 [0,0,0,1,0,1|1,0,0]=3 1139 B12R2.1081 O=C1CCCc2c1cncn2 1P00BUHZ [0,0,0,1,0,1|2,0,0]=4 1140 B12R2.1081 O=C1CCCc2c1nccc2 1P003NHQ [0,0,0,1,0,1|1,0,0]=3 1141 B12R2.1081 O=C1CCCc2c1nccn2 1P00I7FI [0,0,0,1,0,1|1,0,0]=3 1142 B12R2.1081 O=C1CCNc2c1cccc2 1P0033EM [0,0,0,1,0,1|2,0,0]=4 1143 B12R2.1081 O=C1CCNc2c1cccc2 1P00BXYO [0,0,0,1,0,1|2,0,0]=4 1144 B12R2.1081 O=C1CCNc2c1cccn2 1P00FCTY [0,0,0,1,0,1|2,0,0]=4 1145 B12R2.1081 O=C1CCNc2c1cccn2 1P01AN4H [0,0,0,1,0,1|2,0,0]=4 1146 B12R2.1081 O=C1CCOC2=C1C=CN=C2 1P01KE4T [0,0,0,1,0,1|2,0,0]=4 1147 B12R2.1081 O=C1CCOc2c1cccc2 1P0034H7 [0,0,0,1,0,1|2,0,0]=4 1148 B12R2.1081 O=C1CCOc2c1cccn2 1P009394 [0,0,0,1,0,1|2,0,0]=4 1149 B12R2.1081 O=C1CCOc2c1cncc2 1P006410 [0,0,0,1,0,1|2,0,0]=4 1150 B12R2.1081 O=C1CCOc2c1nccc2 1P0077EN [0,0,0,1,0,1|2,0,0]=4 1151 B12R2.1081 O=C1CCSc2c1cccc2 1P003V8V [0,0,0,1,0,1|2,0,0]=4 1152 B12R2.1081 O=C1COCc2c1cccc2 1P002KKX [0,0,0,1,0,1|2,0,0]=4 1153 B12R2.1081 O=C1COCc2c1cccn2 1P000OXM [0,0,0,1,0,1|2,0,0]=4 1154 B12R2.1081 O=C1COCc2c1cncc2 1P0209BP [0,0,0,1,0,1|2,0,0]=4 1155 B12R2.1081 O=C1COCc2c1nccc2 1P028MQP [0,0,0,1,0,1|2,0,0]=4 1156 B12R2.1081 O=C1CSCc2c1cccc2 1P003RMB [0,0,0,1,0,1|2,0,0]=4 1157 B12R2.1081 O=C1NCCc2c1cccc2 1P000PPA [0,0,0,1,0,1|2,0,0]=4 1158 B12R2.1081 O=C1NCCc2c1cccn2 1P001O18 [0,0,0,1,0,1|2,0,0]=4 1159 B12R2.1081 O=C1NCCc2c1cncc2 1P00G8CA [0,0,0,1,0,1|2,0,0]=4 1160 B12R2.1081 O=C1NCCc2c1cncc2 1P027Z26 [0,0,0,1,0,1|2,0,0]=4 1161 B12R2.1081 O=C1NCCc2c1nccc2 1P00BIR9 [0,0,0,1,0,1|2,0,0]=4 1162 B12R2.1081 O=C1OCCc2c1cccc2 1P003IXX [0,0,0,1,0,1|2,0,0]=4 1163 B12R2.2028 CC1OC(=O)c2c1nccc2 1P01C26A [0,0,0,1,0,1|2,0,0]=4 1164 B12R2.2028 O=C1CC(c2c1cccc2)Br 1P003JG9 [0,0,0,1,0,1|2,0,0]=4 1165 B12R2.2028 O=C1CC(c2c1cccc2)C 1P003K5N [0,0,0,1,0,1|1,0,0]=3 1166 B12R2.2028 O=C1CC(c2c1cccc2)N 1P00ADCH [0,0,0,1,0,1|2,0,0]=4 1167 B12R2.2028 O=C1C[C@@H](c2c1cccc2)C 1P01EKBH [0,0,0,1,0,1|1,0,0]=3 1168 B12R2.2028 O=C1C[C@H](c2c1cccc2)C 1P005GL2 [0,0,0,1,0,1|1,0,0]=3 1169 B12R2.2028 O=C1NC(c2c1cccc2)C 1P01DYOU [0,0,0,1,0,1|2,0,0]=4 1170 B12R2.2028 O=C1N[C@@H](c2c1cccc2)C 1P000ZYL [0,0,0,1,0,1|2,0,0]=4 1171 B12R2.2028 O=C1OC(c2c1cccc2)C 1P003B0H [0,0,0,1,0,1|2,0,0]=4 1172 B12R2.2075 O=C(c1ccccc1)C2CC2 1P00354V [0,0,0,1,0,1|1,0,0]=3 1173 B12R2.2075 O=C(c1ccccn1)C2CC2 1P003PNQ [0,0,0,1,0,1|1,0,0]=3 1174 B12R2.2075 O=C(c1cccnc1)C2CC2 1P002QHH [0,0,0,1,0,1|1,0,0]=3 1175 B12R2.2075 O=C(c1ccncc1)C2CC2 1P00CT50 [0,0,0,1,0,1|1,0,0]=3 1176 B12R2.114 O=C1CCCc2c(C1)ccs2 1P01DVDI [0,0,0,1,0,1|2,0,0]=4 1177 B12R2.114 O=C1CCCc2c(N1)ccs2 1P00DL61 [0,0,0,1,0,1|2,0,0]=4 1178 B12R2.1423 O=C(C1CC1)Cn2cccn2 1P01C0W9 [0,0,0,1,0,1|2,0,0]=4 1179 B12R2.196 O=C1CCCc2c1ccn2C 1P00DLCA [0,1,0,1,0,0|2,0,0]=4 1180 B12R2.196 O=C1NCCn2c1ccc2Br 1P01KHBD [0,1,0,1,0,0|2,0,0]=4 1181 B12R2.202 Brc1cc2c(s1)C(=O)NCC2 1P005WGS [0,1,0,1,0,0|1,1,0]=4 1182 B12R2.202 Brc1cc2c(s1)C(=O)OCC2 1P01DMOM [0,1,0,1,0,0|1,1,0]=4 1183 B12R2.202 Brc1cn2c(c1)C(=O)NCC2 1P00FLTZ [0,1,0,1,0,0|2,0,0]=4 1184 B12R2.202 Brc1nc2c(s1)C(=O)CCC2 1P000QWH [0,1,0,1,0,0|1,1,0]=4 1185 B12R2.202 Brc1sc2c(c1)C(=O)CCC2 1P002QVO [0,1,0,1,0,0|2,0,0]=4 1186 B12R2.202 Brc1sc2c(n1)C(=O)CCC2 1P009JP7 [0,1,0,1,0,0|2,0,0]=4 1187 B12R2.202 Cc1nc2c(s1)C(=O)CCC2 1P00B6KH [0,1,0,1,0,0|1,1,0]=4 1188 B12R2.202 Cc1oc2c(c1)C(=O)CCC2 1P00J1LI [0,1,0,1,0,0|2,0,0]=4 1189 B12R2.202 Cc1oc2c(n1)C(=O)CCC2 1P002DM3 [0,1,0,1,0,0|2,0,0]=4 1190 B12R2.202 Cc1sc2c(c1)C(=O)CCC2 1P01DIS3 [0,1,0,1,0,0|2,0,0]=4 1191 B12R2.202 Clc1nc2c(s1)C(=O)CCC2 1P00D52S [0,1,0,1,0,0|1,1,0]=4 1192 B12R2.202 Nc1nc2c(s1)C(=O)CCC2 1P0021OX [0,1,0,1,0,0|1,1,0]=4 1193 B12R2.202 Nc1sc2c(n1)C(=O)CCC2 1P00CKWJ [0,1,0,1,0,0|2,0,0]=4 1194 B12R2.202 O=C1CCCc2c1cc([nH]2)Br 1P002V75 [0,1,0,1,0,0|2,0,0]=4 1195 B12R2.202 O=C1CCCc2c1cc([nH]2)C 1P003I3R [0,1,0,1,0,0|2,0,0]=4 1196 B12R2.2299 O=C(c1ccc(s1)Br)C2CC2 1P00VUEL [0,1,0,1,0,0|0,1,0]=3 1197 B12R2.2299 O=C(c1scc(n1)Br)C2CC2 1P01C2OZ [0,1,0,1,0,0|1,1,0]=4 1198 B12R2.221 CC1CCC(=O)c2c1ccs2 1P01C1UE [0,1,0,1,0,0|0,1,0]=3 1199 B12R2.221 O=C1NCC(n2c1ccc2)C 1P000MC6 [0,1,0,1,0,0|1,0,0]=3 1200 B12R2.221 O=C1NCC(n2c1ccn2)C 1P02237Q [0,1,0,1,0,0|2,0,0]=4 1201 B12R2.229 O=C1CCCCc2c1c[nH]c2 1P000AFI [0,1,0,1,0,0|2,0,0]=4 1202 B12R2.229 O=C1CCCCn2c1ccc2 1P01WK8G [0,1,0,1,0,0|1,0,0]=3 1203 B12R2.229 O=C1CCCCn2c1ccn2 1P002B1Z [0,1,0,1,0,0|2,0,0]=4 1204 B12R2.229 O=C1NCCCc2c1cc[nH]2 1P00I4KO [0,1,0,1,0,0|2,0,0]=4 1205 B12R2.229 O=C1NCCCc2c1cco2 1P018HRV [0,1,0,1,0,0|2,0,0]=4 1206 B12R2.229 O=C1NCCCc2c1ccs2 1P01AAFG [0,1,0,1,0,0|2,0,0]=4 1207 B12R2.229 O=C1NCCCc2c1scc2 1P020JG0 [0,1,0,1,0,0|0,1,0]=3 1208 B12R2.229 O=C1NCCNc2c1scc2 1P01ABWI [0,1,0,1,0,0|1,1,0]=4 1209 B12R2.2074 CC(c1ccco1)NC2CC2 1P019XFZ [0,1,0,1,0,0|1,0,1]=4 1210 B12R2.2074 ClC(=NC1CC1)c2cccs2 1P00GUUP [0,1,0,1,0,0|1,1,0]=4 1211 B12R2.82 BrC1CCc2c(C1=O)ccs2 1P002R1H [0,1,0,1,0,0|2,0,0]=4 1212 B12R2.82 CC1CCc2c(C1=O)[nH]nc2 1P01JWG3 [0,1,0,1,0,0|2,0,0]=4 1213 B12R2.82 NC1CCc2c(C1=O)ccs2 1P01B1LV [0,1,0,1,0,0|2,0,0]=4 1214 B12R2.203 O=C1CCCc2c1c(C)[nH]c2 1P01DX1C [0,1,0,1,0,0|2,0,0]=4 1215 B12R2.203 O=C1CCCc2c1c(C)c[nH]2 1P006P07 [0,1,0,1,0,0|2,0,0]=4 1216 B12R2.203 O=C1NCCc2c1n(C)cc2 1P01AIAN [0,1,0,1,0,0|2,0,0]=4 1217 B12R2.2372 O=C(c1nccn1C)C2CC2 1P01AI8U [0,1,0,1,0,0|2,0,0]=4 1218 B10R1.15 BrCC(=O)c1ccccc1 1P0033MP [1,0,0,0,0,1|2,0,0]=4 1219 B10R1.15 BrCC(=O)c1ccccn1 1P0021LH [1,0,0,0,0,1|2,0,0]=4 1220 B10R1.15 BrCC(=O)c1cccnc1 1P0025H6 [1,0,0,0,0,1|2,0,0]=4 1221 B10R1.15 BrCC(=O)c1cccnc1 1P00EJUC [1,0,0,0,0,1|2,0,0]=4 1222 B10R1.15 BrCC(=O)c1ccncc1 1P00DETO [1,0,0,0,0,1|2,0,0]=4 1223 B10R1.15 BrCC(=O)c1ccncn1 1P00G8NI [1,0,0,0,0,1|2,0,0]=4 1224 B10R1.15 BrCC(=O)c1cnccn1 1P000T5W [1,0,0,0,0,1|2,0,0]=4 1225 B10R1.15 BrCC(=O)c1cnccn1 1P001152 [1,0,0,0,0,1|2,0,0]=4 1226 B10R1.15 BrCC(=O)c1ncccn1 1P001RDD [1,0,0,0,0,1|2,0,0]=4 1227 B10R1.15 CCC(=C)c1ccccc1 1P0029NW [1,0,0,0,0,1|2,0,0]=4 1228 B10R1.15 CCC(=O)c1ccccc1 1P003UGA [1,0,0,0,0,1|1,0,0]=3 1229 B10R1.15 CCC(=O)c1ccccn1 1P0033WA [1,0,0,0,0,1|1,0,0]=3 1230 B10R1.15 CCC(=O)c1cccnc1 1P003KCR [1,0,0,0,0,1|1,0,0]=3 1231 B10R1.15 CCC(=O)c1ccncc1 1P003DKY [1,0,0,0,0,1|1,0,0]=3 1232 B10R1.15 CCC(=O)c1ccncc1 1P028X9W [1,0,0,0,0,1|1,0,0]=3 1233 B10R1.15 CCC(=O)c1ccnnc1 1P02219B [1,0,0,0,0,1|2,0,0]=4 1234 B10R1.15 CCC(=O)c1cnccn1 1P00DLK1 [1,0,0,0,0,1|1,0,0]=3 1235 B10R1.15 CCC(=O)c1cncnc1 1P01DX6H [1,0,0,0,0,1|2,0,0]=4 1236 B10R1.15 CCC(=O)c1ncccn1 1P00E4VN [1,0,0,0,0,1|1,0,0]=3 1237 B10R1.15 CNC(=O)c1ccccc1 1P003TNT [1,0,0,0,0,1|2,0,0]=4 1238 B10R1.15 CNC(=O)c1ccccn1 1P00EFMA [1,0,0,0,0,1|2,0,0]=4 1239 B10R1.15 CNC(=O)c1cccnc1 1P000AQ4 [1,0,0,0,0,1|2,0,0]=4 1240 B10R1.15 CNC(=O)c1ncccn1 1P028FT7 [1,0,0,0,0,1|2,0,0]=4 1241 B10R1.15 COC(=O)c1ccccc1 1P00IHWQ [1,0,0,0,0,1|2,0,0]=4 1242 B10R1.15 COC(=O)c1ccccn1 1P002P5B [1,0,0,0,0,1|2,0,0]=4 1243 B10R1.15 COC(=O)c1cccnc1 1P003SI1 [1,0,0,0,0,1|2,0,0]=4 1244 B10R1.15 COC(=O)c1cccnn1 1P00C82F [1,0,0,0,0,1|2,0,0]=4 1245 B10R1.15 COC(=O)c1ccncc1 1P002P5A [1,0,0,0,0,1|2,0,0]=4 1246 B10R1.15 COC(=O)c1ccncn1 1P002OTR [1,0,0,0,0,1|2,0,0]=4 1247 B10R1.15 COC(=O)c1cnccn1 1P003SJ3 [1,0,0,0,0,1|2,0,0]=4 1248 B10R1.15 COC(=O)c1cnccn1 1P0287C0 [1,0,0,0,0,1|2,0,0]=4 1249 B10R1.15 COC(=O)c1ncccn1 1P003IDX [1,0,0,0,0,1|2,0,0]=4 1250 B10R1.15 ClCC(=O)c1ccccn1 1P00DTRX [1,0,0,0,0,1|2,0,0]=4 1251 B10R1.15 ClCC(=O)c1cccnc1 1P00E9NE [1,0,0,0,0,1|2,0,0]=4 1252 B10R1.15 ClCC(=O)c1ccncc1 1P007OBO [1,0,0,0,0,1|2,0,0]=4 1253 B10R1.15 FCC(=O)c1ccccc1 1P00I8Y0 [1,0,0,0,0,1|2,0,0]=4 1254 B10R1.15 FCC(=O)c1ccccn1 1P00GPM5 [1,0,0,0,0,1|2,0,0]=4 1255 B10R1.15 NCC(=O)c1ccccc1 1P007ACW [1,0,0,0,0,1|2,0,0]=4 1256 B10R1.15 NCC(=O)c1ccccc1 1P00IA8E [1,0,0,0,0,1|2,0,0]=4 1257 B10R1.15 NCC(=O)c1ccccn1 1P00DIEH [1,0,0,0,0,1|2,0,0]=4 1258 B10R1.15 NCC(=O)c1cccnc1 1P00DFSO [1,0,0,0,0,1|2,0,0]=4 1259 B10R1.15 NCC(=O)c1ccncc1 1P00DIEI [1,0,0,0,0,1|2,0,0]=4 1260 B10R1.15 NCC(=O)c1nccnc1 1P01EI7X [1,0,0,0,0,1|2,0,0]=4 1261 B10R1.15 OCC(=O)c1ccccc1 1P003HVU [1,0,0,0,0,1|2,0,0]=4 1262 B10R1.15 OCC(=O)c1ccccn1 1P01DFA8 [1,0,0,0,0,1|2,0,0]=4 1263 B10R1.15 OCC(=O)c1cccnc1 1P008Z6T [1,0,0,0,0,1|2,0,0]=4 1264 B10R1.15 SCC(=O)c1ccccc1 1P00BIBD [1,0,0,0,0,1|2,0,0]=4 1265 B10R1.17 CCCCc1ccccc1 1P003P2W [1,0,0,0,0,1|1,0,1]=4 1266 B10R1.17 CCCCc1ccccn1 1P01FFM0 [1,0,0,0,0,1|1,0,1]=4 1267 B10R1.17 CCCCc1cccnc1 1P00343V [1,0,0,0,0,1|1,0,1]=4 1268 B10R1.17 CCCCc1ccncc1 1P00I9ZL [1,0,0,0,0,1|1,0,1]=4 1269 B10R1.17 CCCNc1ccccc1 1P003TSL [1,0,0,0,0,1|2,0,0]=4 1270 B10R1.17 CCCNc1cccnc1 1P019YSP [1,0,0,0,0,1|2,0,0]=4 1271 B10R1.17 CCCOc1ccccc1 1P00E98Z [1,0,0,0,0,1|2,0,0]=4 1272 B10R1.17 CCCOc1cccnn1 1P005TEB [1,0,0,0,0,1|2,0,0]=4 1273 B10R1.17 CCCOc1cnccn1 1P01BJJ1 [1,0,0,0,0,1|2,0,0]=4 1274 B10R1.17 CCCSc1ccccn1 1P01EV41 [1,0,0,0,0,1|2,0,0]=4 1275 B12R1.32 BrCCC(=O)Nc1ccccc1 1P00GNN1 [0,0,0,0,0,2|2,0,0]=4 1276 B12R1.32 CCCC(=O)Cc1ccccc1 1P003F3D [0,0,0,0,0,2|1,0,0]=3 1277 B12R1.32 CCNC(=O)Nc1ccccc1 1P00E9ZR [0,0,0,0,0,2|2,0,0]=4 1278 B12R1.32 CCNC(=O)Oc1ccccc1 1P0021MK [0,0,0,0,0,2|2,0,0]=4 1279 B12R1.32 CCOC(=O)Cc1ccccc1 1P0003XD [0,0,0,0,0,2|2,0,0]=4 1280 B12R1.32 CCOC(=O)Cc1ccccn1 1P0035BC [0,0,0,0,0,2|2,0,0]=4 1281 B12R1.32 CCOC(=O)Cc1cccnc1 1P00BY7B [0,0,0,0,0,2|2,0,0]=4 1282 B12R1.32 CCOC(=O)Cc1cccnn1 1P000RZW [0,0,0,0,0,2|2,0,0]=4 1283 B12R1.32 CCOC(=O)Cc1ccncc1 1P003QSB [0,0,0,0,0,2|2,0,0]=4 1284 B12R1.32 CCOC(=O)Cc1ccncn1 1P000LYT [0,0,0,0,0,2|2,0,0]=4 1285 B12R1.32 CCOC(=O)Cc1cnccn1 1P008ZJ1 [0,0,0,0,0,2|2,0,0]=4 1286 B12R1.32 CCOC(=O)Cc1ncccn1 1P003QI7 [0,0,0,0,0,2|2,0,0]=4 1287 B12R1.32 CCOC(=O)N=c1cc[nH]cc1 1P00DJ1M [0,0,0,0,0,2|2,0,0]=4 1288 B12R1.32 CCOC(=O)Nc1ccccc1 1P0003XB [0,0,0,0,0,2|2,0,0]=4 1289 B12R1.32 CCOC(=O)Nc1ccccn1 1P00DKBX [0,0,0,0,0,2|2,0,0]=4 1290 B12R1.32 CCOC(=O)Nc1cccnc1 1P019MHU [0,0,0,0,0,2|2,0,0]=4 1291 B12R1.32 CNCC(=O)Nc1ccccc1 1P00EJFP [0,0,0,0,0,2|2,0,0]=4 1292 B12R1.32 CNCC(=O)Nc1ccncc1 1P0284QL [0,0,0,0,0,2|2,0,0]=4 1293 B12R1.32 COCC(=O)Cc1ccccc1 1P019UAK [0,0,0,0,0,2|2,0,0]=4 1294 B12R1.32 COCC(=O)Nc1ccccc1 1P028IUS [0,0,0,0,0,2|2,0,0]=4 1295 B12R1.32 COCC(=O)Oc1ccccc1 1P001YI1 [0,0,0,0,0,2|2,0,0]=4 1296 B12R1.32 ClCCC(=O)Nc1ccccc1 1P00C08U [0,0,0,0,0,2|2,0,0]=4 1297 B12R1.32 ClCCC(=O)Nc1ccccn1 1P00HS9V [0,0,0,0,0,2|2,0,0]=4 1298 B12R1.32 ClCCC(=O)Nc1cccnc1 1P00J3ZB [0,0,0,0,0,2|2,0,0]=4 1299 B12R1.32 ClCCC(=O)Oc1ccccc1 1P002OZQ [0,0,0,0,0,2|2,0,0]=4 1300 B12R1.32 NCCC(=O)Nc1ccccc1 1P000G66 [0,0,0,0,0,2|2,0,0]=4 1301 B12R1.32 NCCC(=O)Nc1ccccc1 1P00EENY [0,0,0,0,0,2|2,0,0]=4 1302 B12R1.32 NCCC(=O)Nc1ccccn1 1P019NLT [0,0,0,0,0,2|2,0,0]=4 1303 B12R1.32 NCCC(=O)Nc1cccnc1 1P0179RU [0,0,0,0,0,2|2,0,0]=4 1304 B12R1.32 NCCC(=O)Nc1ccncc1 1P01A91X [0,0,0,0,0,2|2,0,0]=4 1305 B12R1.32 NCCC(=O)Nc1ccncc1 1P01A92R [0,0,0,0,0,2|2,0,0]=4 1306 B12R1.51 CCOC(=O)CCc1ccco1 1P00021K [0,0,0,0,0,2|1,0,0]=3 1307 B12R1.51 CNCC(=O)NCc1ccco1 1P00J6JM [0,0,0,0,0,2|1,0,0]=3 1308 B12R1.51 CNCC(=O)NCc1ccco1 1P019YG1 [0,0,0,0,0,2|1,0,0]=3 1309 B12R1.51 CNCC(=O)NCc1cccs1 1P01AI8Z [0,0,0,0,0,2|1,1,0]=4 1310 B12R1.51 ClCCC(=O)NCc1cccs1 1P00BFAW [0,0,0,0,0,2|1,1,0]=4 1311 B12R1.51 N#CCC(=O)NCc1ccco1 1P00EE8N [0,0,0,0,0,2|1,0,1]=4