0 B6R0.4 BrCC=CC(C)C 1P006EUU [0,0,0,0,0,0|1,0,1]=2 1 B6R0.4 BrCCC=C(C)C 1P0034OC [0,0,0,0,0,0|1,0,3]=4 2 B6R0.4 BrCCCC(C)C 1P003ELQ [0,0,0,0,0,0|1,0,3]=4 3 B6R0.4 BrCCOC(C)C 1P0037R7 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.4 BrCCSC(C)C 1P01B9L6 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.4 C#CC=CC(C)C 1P01BEP4 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.4 C#CCCC(C)C 1P003NBG [0,0,0,0,0,0|1,0,3]=4 7 B6R0.4 C=CC=CC(=O)O 1P00IBIF [0,0,0,0,0,0|3,0,1]=4 8 B6R0.4 C=CCCC(Br)C 1P006ZZA [0,0,0,0,0,0|2,0,2]=4 9 B6R0.4 C=CCCC(N)C 1P01PZMX [0,0,0,0,0,0|2,0,2]=4 10 B6R0.4 C=CCCC(O)C 1P003ZLZ [0,0,0,0,0,0|2,0,2]=4 11 B6R0.4 C=CCCC(O)C 1P019THJ [0,0,0,0,0,0|2,0,2]=4 12 B6R0.4 C=CCC[C@@H](O)C 1P001ZSP [0,0,0,0,0,0|2,0,2]=4 13 B6R0.4 C=CCC[C@H](O)C 1P001ZSO [0,0,0,0,0,0|2,0,2]=4 14 B6R0.4 C=CCNC(C)C 1P00J27D [0,0,0,0,0,0|2,0,1]=3 15 B6R0.4 C=CCNC(C)C 1P019WIN [0,0,0,0,0,0|2,0,1]=3 16 B6R0.4 C=COCC(C)C 1P003RJN [0,0,0,0,0,0|2,0,1]=3 17 B6R0.4 C=COCC(C)C 1P01B5NC [0,0,0,0,0,0|2,0,1]=3 18 B6R0.4 C=C\C=C/C(=O)O 1P01DEBA [0,0,0,0,0,0|3,0,1]=4 19 B6R0.4 C=C\C=C\C(=O)O 1P0070UZ [0,0,0,0,0,0|3,0,1]=4 20 B6R0.4 CC(CN=C=S)C 1P003RJF [0,0,0,0,0,0|1,1,2]=4 21 B6R0.4 CC(CN=[N+]=[N-])C 1P0012YI [0,0,0,0,0,0|3,0,1]=4 22 B6R0.4 CC(CON=O)C 1P003RJX [0,0,0,0,0,0|2,0,1]=3 23 B6R0.4 CC(NCC#N)C 1P001XQ6 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.4 CC(NCC#N)C 1P00D4AU [0,0,0,0,0,0|2,0,2]=4 25 B6R0.4 CC(OCC#C)C 1P00DLV0 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.4 CC(OCC#N)C 1P019TQB [0,0,0,0,0,0|2,0,2]=4 27 B6R0.4 CC(SCC#C)C 1P0292XK [0,0,0,0,0,0|2,0,2]=4 28 B6R0.4 CCCC=C(C)C 1P003I2I [0,0,0,0,0,0|1,0,3]=4 29 B6R0.4 CCCCC(C)C 1P003I64 [0,0,0,0,0,0|1,0,3]=4 30 B6R0.4 CCCNC(C)C 1P003TLJ [0,0,0,0,0,0|2,0,2]=4 31 B6R0.4 CCCNC(C)C 1P0281NZ [0,0,0,0,0,0|2,0,2]=4 32 B6R0.4 CCNCC(C)C 1P019N4C [0,0,0,0,0,0|2,0,2]=4 33 B6R0.4 CCONC(C)C 1P01C5E8 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.4 CNCCC(C)C 1P00BI9Z [0,0,0,0,0,0|2,0,2]=4 35 B6R0.4 COC=CC(=O)C 1P00DEQI [0,0,0,0,0,0|3,0,1]=4 36 B6R0.4 CO\C=C\C(=O)C 1P00366M [0,0,0,0,0,0|3,0,1]=4 37 B6R0.4 ClCCCC(C)C 1P00EKZ8 [0,0,0,0,0,0|1,0,3]=4 38 B6R0.4 ClCCNC(C)C 1P00EL0Z [0,0,0,0,0,0|2,0,2]=4 39 B6R0.4 ClCCOC(C)C 1P0018Y2 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.4 ClCCSC(C)C 1P00DD67 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.4 ClCOCC(C)C 1P00CSAJ [0,0,0,0,0,0|2,0,2]=4 42 B6R0.4 ClCSCC(C)C 1P01HDYR [0,0,0,0,0,0|2,0,2]=4 43 B6R0.4 FCCNC(C)C 1P028QN2 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.4 ICCCC(C)C 1P00EDWQ [0,0,0,0,0,0|1,0,3]=4 45 B6R0.4 ICCOC(C)C 1P01ADBW [0,0,0,0,0,0|2,0,2]=4 46 B6R0.4 N#CCC=C(C)C 1P00DGHX [0,0,0,0,0,0|1,0,3]=4 47 B6R0.4 N#CCCC(C)C 1P003RK7 [0,0,0,0,0,0|1,0,3]=4 48 B6R0.4 N#C\C=C\N(C)C 1P003IOH [0,0,0,0,0,0|2,0,1]=3 49 B6R0.4 NCC=CC(F)F 1P028CDT [0,0,0,0,0,0|3,0,1]=4 50 B6R0.4 NCCC=C(C)C 1P01BDB7 [0,0,0,0,0,0|1,0,3]=4 51 B6R0.4 NCCCC(C)C 1P019M52 [0,0,0,0,0,0|1,0,3]=4 52 B6R0.4 NCCCC(C)C 1P01A91F [0,0,0,0,0,0|1,0,3]=4 53 B6R0.4 NCCNC(C)C 1P003TLF [0,0,0,0,0,0|2,0,2]=4 54 B6R0.4 NCCNC(C)C 1P01EKI8 [0,0,0,0,0,0|2,0,2]=4 55 B6R0.4 NCCOC(C)C 1P000C7A [0,0,0,0,0,0|2,0,2]=4 56 B6R0.4 NCCOC(C)C 1P003GZZ [0,0,0,0,0,0|2,0,2]=4 57 B6R0.4 NCCSC(C)C 1P01BBH9 [0,0,0,0,0,0|2,0,2]=4 58 B6R0.4 NNCCC(C)C 1P009GQD [0,0,0,0,0,0|2,0,2]=4 59 B6R0.4 NNCCC(C)C 1P019ND9 [0,0,0,0,0,0|2,0,2]=4 60 B6R0.4 NOCCC(C)C 1P01EKGD [0,0,0,0,0,0|2,0,2]=4 61 B6R0.4 O=C=NC=C(C)C 1P01AGQO [0,0,0,0,0,0|1,0,2]=3 62 B6R0.4 O=CC=CN(C)C 1P005KZD [0,0,0,0,0,0|1,0,0]=1 63 B6R0.4 O=CCCC(=O)C 1P00F3IL [0,0,0,0,0,0|1,0,3]=4 64 B6R0.4 O=CCCC(C)C 1P0038PE [0,0,0,0,0,0|0,0,2]=2 65 B6R0.4 O=CCCC(F)F 1P024SGO [0,0,0,0,0,0|2,0,2]=4 66 B6R0.4 O=C\C=C\C(C)C 1P002OTI [0,0,0,0,0,0|0,0,0]=0 67 B6R0.4 O=C\C=C\N(C)C 1P003JTX [0,0,0,0,0,0|1,0,0]=1 68 B6R0.4 OCCNC(C)C 1P00IKX9 [0,0,0,0,0,0|1,0,3]=4 69 B6R0.4 OCCOC(C)C 1P003HY2 [0,0,0,0,0,0|1,0,3]=4 70 B6R0.4 SCCCC(C)C 1P00E46C [0,0,0,0,0,0|0,1,3]=4 71 B6R0.4 SCCOC(C)C 1P028V1O [0,0,0,0,0,0|1,1,2]=4 72 B5R0.1 BrCC=C(C)C 1P0033YB [1,0,0,0,0,0|1,0,2]=4 73 B5R0.1 BrCCC(C)C 1P003EL0 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.1 C=CCN(C)C 1P003T1I [1,0,0,0,0,0|1,0,1]=3 75 B5R0.1 C=COC(C)C 1P00369A [1,0,0,0,0,0|1,0,0]=2 76 B5R0.1 CC#CC(C)C 1P002L45 [1,0,0,0,0,0|0,0,3]=4 77 B5R0.1 CC(=O)CC=C 1P001AA7 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.1 CC(=O)NC=C 1P003TV1 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.1 CC(=O)OC=C 1P003O49 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.1 CC(=O)\C=C\Cl 1P0072VO [1,0,0,0,0,0|2,0,1]=4 81 B5R0.1 CC(C=NO)C 1P00AOPK [1,0,0,0,0,0|1,0,1]=3 82 B5R0.1 CC(CC#C)C 1P003M6F [1,0,0,0,0,0|0,0,3]=4 83 B5R0.1 CC(CC#N)C 1P003480 [1,0,0,0,0,0|1,0,2]=4 84 B5R0.1 CC(CC=C)Br 1P00CRRM [1,0,0,0,0,0|1,0,1]=3 85 B5R0.1 CC(CC=C)I 1P027V5I [1,0,0,0,0,0|1,0,1]=3 86 B5R0.1 CC(CC=C)N 1P01AJI0 [1,0,0,0,0,0|1,0,1]=3 87 B5R0.1 CC(CC=C)O 1P003MEX [1,0,0,0,0,0|1,0,1]=3 88 B5R0.1 CC(C[N+]#[C-])C 1P01I7C4 [1,0,0,0,0,0|1,0,2]=4 89 B5R0.1 CC(N=C=O)C 1P0027IJ [1,0,0,0,0,0|1,0,1]=3 90 B5R0.1 CC(N=C=S)C 1P003RLO [1,0,0,0,0,0|1,1,1]=4 91 B5R0.1 CC(N=[N+]=[N-])C 1P00FDMH [1,0,0,0,0,0|3,0,0]=4 92 B5R0.1 CC(\C=N\O)C 1P01GJ99 [1,0,0,0,0,0|1,0,1]=3 93 B5R0.1 CC=CC(=O)C 1P0039SF [1,0,0,0,0,0|1,0,2]=4 94 B5R0.1 CCNC(C)C 1P002CP2 [1,0,0,0,0,0|1,0,2]=4 95 B5R0.1 CCOC(C)C 1P003QW6 [1,0,0,0,0,0|1,0,2]=4 96 B5R0.1 CCSC(C)C 1P003QW7 [1,0,0,0,0,0|1,0,2]=4 97 B5R0.1 CNCC(C)C 1P003TOH [1,0,0,0,0,0|1,0,2]=4 98 B5R0.1 CNCC(C)C 1P01A81L [1,0,0,0,0,0|1,0,2]=4 99 B5R0.1 CONC(C)C 1P01A1JI [1,0,0,0,0,0|2,0,1]=4 100 B5R0.1 CP(=O)CC=C 1P028EBH [1,0,0,0,0,0|2,0,1]=4 101 B5R0.1 CSC=[N+](C)C 1P003T23 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.1 C[C@@H](CC=C)O 1P003CY3 [1,0,0,0,0,0|1,0,1]=3 103 B5R0.1 C[C@H](CC=C)O 1P0032UG [1,0,0,0,0,0|1,0,1]=3 104 B5R0.1 C\C=C\C(=O)C 1P0032ET [1,0,0,0,0,0|1,0,2]=4 105 B5R0.1 C\C=C\C(O)C 1P003KBH [1,0,0,0,0,0|1,0,1]=3 106 B5R0.1 ClCC=C(C)C 1P00387Y [1,0,0,0,0,0|1,0,2]=4 107 B5R0.1 ClCCC(C)C 1P003EON [1,0,0,0,0,0|1,0,2]=4 108 B5R0.1 ClCOC(C)C 1P0038H3 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.1 ClCSC(C)C 1P00ASCH [1,0,0,0,0,0|2,0,1]=4 110 B5R0.1 ICCC(C)C 1P0035I5 [1,0,0,0,0,0|1,0,2]=4 111 B5R0.1 N#CC=C(C)C 1P00DK3B [1,0,0,0,0,0|1,0,2]=4 112 B5R0.1 NCC=C(C)C 1P0018SM [1,0,0,0,0,0|1,0,2]=4 113 B5R0.1 NCC=C(C)C 1P00BCD3 [1,0,0,0,0,0|1,0,2]=4 114 B5R0.1 NCCC(C)C 1P0035IO [1,0,0,0,0,0|1,0,2]=4 115 B5R0.1 NCCC(C)C 1P00DNHQ [1,0,0,0,0,0|1,0,2]=4 116 B5R0.1 NNCC(C)C 1P002ONR [1,0,0,0,0,0|2,0,1]=4 117 B5R0.1 NNCC(C)C 1P00C79N [1,0,0,0,0,0|2,0,1]=4 118 B5R0.1 NNCC(C)C 1P01A4K7 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.1 NOCC(C)C 1P003TXW [1,0,0,0,0,0|2,0,1]=4 120 B5R0.1 O=CC=C(C)C 1P00347P [1,0,0,0,0,0|0,0,1]=2 121 B5R0.1 O=CC=C(Cl)Cl 1P002TV9 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.1 O=CCC(C)C 1P003938 [1,0,0,0,0,0|0,0,1]=2 123 B5R0.1 O=CCN(C)C 1P000R2Q [1,0,0,0,0,0|1,0,1]=3 124 B5R0.1 O=CCN(C)C 1P001GSU [1,0,0,0,0,0|1,0,1]=3 125 B5R0.1 O=CNC(C)C 1P00BBY6 [1,0,0,0,0,0|1,0,0]=2 126 B5R0.1 O=CNN(C)C 1P00C6WA [1,0,0,0,0,0|2,0,0]=3 127 B5R0.1 OCC=C(C)C 1P003K5R [1,0,0,0,0,0|0,0,3]=4 128 B5R0.1 OCCC(C)C 1P000KDR [1,0,0,0,0,0|0,0,3]=4 129 B5R0.1 SCC=C(C)C 1P00DAZ6 [1,0,0,0,0,0|0,1,2]=4 130 B5R0.1 SCCC(C)C 1P003K55 [1,0,0,0,0,0|0,1,2]=4 131 B5R0.1 [O-]C=CC(=O)C 1P028582 [1,0,0,0,0,0|1,0,2]=4 132 B5R0.2 BrCC=CC#N 1P01A0WY [1,0,0,0,0,0|2,0,1]=4 133 B5R0.2 BrCC=CCBr 1P01DXSG [1,0,0,0,0,0|2,0,1]=4 134 B5R0.2 BrCCCC=O 1P01A6RF [1,0,0,0,0,0|1,0,2]=4 135 B5R0.2 BrCC\C=C\Br 1P028NCC [1,0,0,0,0,0|2,0,1]=4 136 B5R0.2 BrC\C=C\C#N 1P00CRDJ [1,0,0,0,0,0|2,0,1]=4 137 B5R0.2 BrC\C=C\CBr 1P0032TZ [1,0,0,0,0,0|2,0,1]=4 138 B5R0.2 CC=CCCBr 1P00DR1G [1,0,0,0,0,0|2,0,1]=4 139 B5R0.2 CC=CCCN 1P01AIX4 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.2 CCC#CC=O 1P01IEPI [1,0,0,0,0,0|0,0,2]=3 141 B5R0.2 CCC=C=CBr 1P028KXN [1,0,0,0,0,0|1,0,1]=3 142 B5R0.2 CCC=CCN 1P01AV04 [1,0,0,0,0,0|1,0,1]=3 143 B5R0.2 CCCCC=O 1P003VQU [1,0,0,0,0,0|0,0,2]=3 144 B5R0.2 CCCOC=C 1P0035ZV [1,0,0,0,0,0|2,0,1]=4 145 B5R0.2 CCNCC=C 1P019XC1 [1,0,0,0,0,0|2,0,1]=4 146 B5R0.2 CCOC=CC 1P003ER0 [1,0,0,0,0,0|2,0,0]=3 147 B5R0.2 CCON=CC 1P028C19 [1,0,0,0,0,0|3,0,0]=4 148 B5R0.2 CCO\C=C/Br 1P00BCUN [1,0,0,0,0,0|2,0,0]=3 149 B5R0.2 CCSCC=O 1P01AC7G [1,0,0,0,0,0|1,0,1]=3 150 B5R0.2 CC\C=C/CBr 1P005NSO [1,0,0,0,0,0|1,0,1]=3 151 B5R0.2 CC\C=C/CN 1P028U5O [1,0,0,0,0,0|1,0,1]=3 152 B5R0.2 CC\C=C/CO 1P001Q0D [1,0,0,0,0,0|0,0,2]=3 153 B5R0.2 CC\C=C\C=O 1P001Q0F [1,0,0,0,0,0|0,0,0]=1 154 B5R0.2 COC=CC#N 1P003K3T [1,0,0,0,0,0|2,0,1]=4 155 B5R0.2 COCCC=O 1P007M22 [1,0,0,0,0,0|1,0,2]=4 156 B5R0.2 CSCCC=O 1P003IQ1 [1,0,0,0,0,0|1,0,2]=4 157 B5R0.2 C\C=C\CCBr 1P005EJH [1,0,0,0,0,0|2,0,1]=4 158 B5R0.2 C\C=C\CCO 1P008QP2 [1,0,0,0,0,0|2,0,1]=4 159 B5R0.2 C\C=C\N=C=O 1P0289I4 [1,0,0,0,0,0|1,0,2]=4 160 B5R0.2 ClCCCC=O 1P00EH8M [1,0,0,0,0,0|1,0,2]=4 161 B5R0.2 ClC\C=C\C#N 1P028S0U [1,0,0,0,0,0|2,0,1]=4 162 B5R0.2 NCC=CC#N 1P027UUV [1,0,0,0,0,0|2,0,1]=4 163 B5R0.2 NCC=CCCl 1P01A0NC [1,0,0,0,0,0|2,0,1]=4 164 B5R0.2 NCC\C=C\Br 1P028WMI [1,0,0,0,0,0|2,0,1]=4 165 B5R0.2 NC\C=C/CCl 1P003PFR [1,0,0,0,0,0|2,0,1]=4 166 B5R0.2 NC\C=C/CN 1P0097A9 [1,0,0,0,0,0|2,0,1]=4 167 B5R0.2 NC\C=C\C=C 1P01FIJ9 [1,0,0,0,0,0|2,0,0]=3 168 B5R0.2 NC\C=C\CF 1P0287PM [1,0,0,0,0,0|2,0,1]=4 169 B5R0.2 NC\C=C\CN 1P003B4V [1,0,0,0,0,0|2,0,1]=4 170 B5R0.2 OCC=CCO 1P00G3JG [1,0,0,0,0,0|1,0,2]=4 171 B5R0.2 OCCCC=O 1P00BGD0 [1,0,0,0,0,0|1,0,2]=4 172 B5R0.2 OCCOC=O 1P00EL36 [1,0,0,0,0,0|2,0,1]=4 173 B5R0.2 OC\C=C/CO 1P0032YH [1,0,0,0,0,0|1,0,2]=4 174 B5R0.2 OC\C=C\CCl 1P01GA5D [1,0,0,0,0,0|1,0,2]=4 175 B5R0.2 OC\C=C\CO 1P0033NQ [1,0,0,0,0,0|1,0,2]=4 176 B7R0.2 BrCC(=O)NC(C)C 1P0038WV [0,1,0,0,0,0|2,0,1]=4 177 B7R0.2 BrCC(=O)OC(C)C 1P003RLF [0,1,0,0,0,0|2,0,1]=4 178 B7R0.2 C=CC(=O)NC(C)C 1P003TLD [0,1,0,0,0,0|2,0,0]=3 179 B7R0.2 C=CC(=O)OC(C)C 1P00FCDR [0,1,0,0,0,0|2,0,0]=3 180 B7R0.2 C=CC(CC(C)C)O 1P01E50G [0,1,0,0,0,0|1,0,2]=4 181 B7R0.2 CC(CC(=NO)N)C 1P019XUL [0,1,0,0,0,0|1,0,2]=4 182 B7R0.2 CC(CN(N=O)C)C 1P00D23L [0,1,0,0,0,0|2,0,1]=4 183 B7R0.2 CC(OC(=O)C#C)C 1P005W1X [0,1,0,0,0,0|2,0,1]=4 184 B7R0.2 CCC(=O)CC(C)C 1P003NCQ [0,1,0,0,0,0|1,0,2]=4 185 B7R0.2 CN(C=C(C#N)C)C 1P019ZQB [0,1,0,0,0,0|2,0,1]=4 186 B7R0.2 CNC(=N)CC(C)C 1P027TW0 [0,1,0,0,0,0|2,0,1]=4 187 B7R0.2 COC(=N)CC(C)C 1P01BS5V [0,1,0,0,0,0|2,0,1]=4 188 B7R0.2 COC(=O)C=C(C)C 1P003IU0 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.2 COC(=O)CC(C)C 1P0035PM [0,1,0,0,0,0|2,0,1]=4 190 B7R0.2 COC(=O)SC(C)C 1P01XBN3 [0,1,0,0,0,0|3,0,0]=4 191 B7R0.2 ClCC(=O)C=C(C)C 1P003WCV [0,1,0,0,0,0|1,0,2]=4 192 B7R0.2 ClCC(=O)CC(C)C 1P00CLO7 [0,1,0,0,0,0|1,0,2]=4 193 B7R0.2 ClCC(=O)NC(C)C 1P002XNF [0,1,0,0,0,0|2,0,1]=4 194 B7R0.2 ClCC(=O)OC(C)C 1P003RLH [0,1,0,0,0,0|2,0,1]=4 195 B7R0.2 ICC(=O)NC(C)C 1P003TLG [0,1,0,0,0,0|2,0,1]=4 196 B7R0.2 NCC(=O)CC(C)C 1P007R1H [0,1,0,0,0,0|1,0,2]=4 197 B7R0.2 NCC(=O)NC(C)C 1P00FDGN [0,1,0,0,0,0|2,0,1]=4 198 B7R0.2 NCC(=O)NC(C)C 1P00IBC3 [0,1,0,0,0,0|2,0,1]=4 199 B7R0.2 NCC(=O)OC(C)C 1P003REC [0,1,0,0,0,0|2,0,1]=4 200 B7R0.2 NNC(=O)CC(C)C 1P007O9X [0,1,0,0,0,0|2,0,1]=4 201 B7R0.2 NNC(=O)NC(C)C 1P00F225 [0,1,0,0,0,0|3,0,0]=4 202 B7R0.2 NNC(=O)OC(C)C 1P003UFH [0,1,0,0,0,0|3,0,0]=4 203 B7R0.2 NNC(=S)NC(C)C 1P003M21 [0,1,0,0,0,0|3,0,0]=4 204 B7R0.2 O=CC(=CN(C)C)Br 1P002TGZ [0,1,0,0,0,0|1,0,0]=2 205 B7R0.2 O=CC(=CN(C)C)C 1P002FMH [0,1,0,0,0,0|1,0,0]=2 206 B7R0.2 O=CC(CC(C)C)C 1P007MEQ [0,1,0,0,0,0|0,0,2]=3 207 B7R0.2 O=C\C(=C\N(C)C)\Br 1P028WX8 [0,1,0,0,0,0|1,0,0]=2 208 B7R0.2 OCC(=O)NC(C)C 1P01AHTP [0,1,0,0,0,0|1,0,2]=4 209 B7R0.2 OCC(=O)OC(C)C 1P003RLM [0,1,0,0,0,0|1,0,2]=4 210 B7R0.2 SCC(=O)OC(C)C 1P008QDW [0,1,0,0,0,0|1,1,1]=4 211 B7R0.3 CC(CC)CN=C=O 1P01EUW2 [0,1,0,0,0,0|1,0,2]=4 212 B7R0.3 CC(OC)CCC=O 1P01C9S2 [0,1,0,0,0,0|0,0,2]=3 213 B7R0.3 CC(OCC=C)CN 1P01B994 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.3 CCC(\C=C\C=O)O 1P001SLJ [0,1,0,0,0,0|1,0,0]=2 215 B7R0.3 COC(=O)C=CC=C 1P001NUD [0,1,0,0,0,0|2,0,1]=4 216 B7R0.3 COC(=O)\C=C\C=C 1P01E4CN [0,1,0,0,0,0|2,0,1]=4 217 B7R0.3 COC(=O)\C=C\C=O 1P003R5P [0,1,0,0,0,0|1,0,1]=3 218 B7R0.3 NCC(CC=CC)N 1P01A6X2 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.4 C=CCNCC(C)C 1P00C2AR [0,1,0,0,0,0|1,0,2]=4 220 B7R0.4 CC(=O)OC=CC=C 1P001NUC [0,1,0,0,0,0|2,0,1]=4 221 B7R0.4 CC(CCN=C=O)C 1P001SME [0,1,0,0,0,0|0,0,3]=4 222 B7R0.4 CC(CCON=O)C 1P0038PB [0,1,0,0,0,0|1,0,2]=4 223 B7R0.4 C\C=C\C=C\C(=O)C 1P003GC2 [0,1,0,0,0,0|2,0,1]=4 224 B7R0.4 O=CCCC=C(C)C 1P008QPA [0,1,0,0,0,0|0,0,2]=3 225 B7R0.4 OCC=CCC(C)C 1P0288PH [0,1,0,0,0,0|0,0,2]=3 226 B7R0.5 C(C(C)C)(=O)OCBr 1P01FWOF [0,1,0,0,0,0|2,0,1]=4 227 B7R0.5 CC(C(=O)CC#N)C 1P002Z2H [0,1,0,0,0,0|1,0,2]=4 228 B7R0.5 CC(C(=O)N=C=O)C 1P01A2AN [0,1,0,0,0,0|1,0,1]=3 229 B7R0.5 CC(C(=O)N=C=S)C 1P019WXD [0,1,0,0,0,0|1,1,1]=4 230 B7R0.5 CC(C(C)C)N=C=O 1P01BCH7 [0,1,0,0,0,0|1,0,2]=4 231 B7R0.5 CCCC(=O)C(C)C 1P003I37 [0,1,0,0,0,0|1,0,2]=4 232 B7R0.5 CCOC(=N)C(C)C 1P003866 [0,1,0,0,0,0|2,0,1]=4 233 B7R0.5 CCOC(=O)C(C)C 1P005ZBF [0,1,0,0,0,0|2,0,1]=4 234 B7R0.5 CN(C(=CC#N)N)C 1P01C549 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.5 CNNC(=N)C(C)C 1P01C1UV [0,1,0,0,0,0|3,0,0]=4 236 B7R0.5 COCC(=O)C(C)C 1P01ALE6 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.5 ClCOC(=O)C(C)C 1P0037G1 [0,1,0,0,0,0|2,0,1]=4 238 B7R0.5 Cl\C=C\C(=O)C(C)C 1P01B79F [0,1,0,0,0,0|1,0,0]=2 239 B7R0.5 ICOC(=O)C(C)C 1P00ELWR [0,1,0,0,0,0|2,0,1]=4 240 B7R0.5 OCC=C(C(C)C)C 1P01BTWJ [0,1,0,0,0,0|0,0,2]=3 241 B7R0.5 OCCC(=C)C(C)C 1P028T6A [0,1,0,0,0,0|0,0,3]=4 242 B7R0.5 OCCC(=O)C(C)C 1P009DD1 [0,1,0,0,0,0|0,0,3]=4 243 B7R0.5 OCNC(=O)C(C)C 1P01DL1W [0,1,0,0,0,0|1,0,2]=4 244 B7R0.6 CC(=NNC(=O)C)C 1P00C6UV [0,1,0,0,0,0|2,0,1]=4 245 B7R0.6 CC(=NOC(=O)C)C 1P01XCOR [0,1,0,0,0,0|2,0,1]=4 246 B7R0.6 CC(=O)C=CC(=O)O 1P003414 [0,1,0,0,0,0|1,0,1]=3 247 B7R0.6 CC(=O)COC(C)C 1P0071XC [0,1,0,0,0,0|1,0,1]=3 248 B7R0.6 CC(C#CC(=O)O)C 1P01ANWI [0,1,0,0,0,0|0,0,2]=3 249 B7R0.6 CC(C#CC(=O)O)N 1P0284K5 [0,1,0,0,0,0|1,0,2]=4 250 B7R0.6 CC(C=CC(=O)C)C 1P003NC7 [0,1,0,0,0,0|0,0,0]=1 251 B7R0.6 CC(C=CC(=O)O)C 1P003M70 [0,1,0,0,0,0|0,0,0]=1 252 B7R0.6 CC(CCC(=N)N)C 1P00J1UE [0,1,0,0,0,0|1,0,2]=4 253 B7R0.6 CC(CCC(=O)C)C 1P003NBT [0,1,0,0,0,0|0,0,2]=3 254 B7R0.6 CC(CCC(=O)C)Cl 1P0007YL [0,1,0,0,0,0|1,0,2]=4 255 B7R0.6 CC(CCC(=O)Cl)C 1P003M9S [0,1,0,0,0,0|0,0,2]=3 256 B7R0.6 CC(CCC(=O)Cl)Cl 1P00IBOS [0,1,0,0,0,0|1,0,2]=4 257 B7R0.6 CC(CCC(=O)N)C 1P007DVM [0,1,0,0,0,0|0,0,2]=3 258 B7R0.6 CC(CCC(=O)O)Br 1P01A4B3 [0,1,0,0,0,0|1,0,2]=4 259 B7R0.6 CC(CCC(=O)O)C 1P003M9R [0,1,0,0,0,0|0,0,2]=3 260 B7R0.6 CC(CCC(=O)O)N 1P001A2N [0,1,0,0,0,0|1,0,2]=4 261 B7R0.6 CC(CCC(=O)O)N 1P01AKAQ [0,1,0,0,0,0|1,0,2]=4 262 B7R0.6 CC(CCC(=O)O)O 1P0038KW [0,1,0,0,0,0|1,0,2]=4 263 B7R0.6 CC(CCC(=O)O)S 1P000P7Q [0,1,0,0,0,0|1,0,2]=4 264 B7R0.6 CC(CCC(=O)[O-])O 1P003BDK [0,1,0,0,0,0|1,0,2]=4 265 B7R0.6 CC(CCC(=S)N)C 1P019VQG [0,1,0,0,0,0|0,1,2]=4 266 B7R0.6 CC(CCS(=O)Cl)C 1P01C9KM [0,1,0,0,0,0|1,0,2]=4 267 B7R0.6 CC(CC[N+](=O)[O-])C 1P00F3IP [0,1,0,0,0,0|1,0,2]=4 268 B7R0.6 CC(CNC(=O)C)O 1P00719V [0,1,0,0,0,0|2,0,1]=4 269 B7R0.6 CC(CNC(=O)N)C 1P003RJM [0,1,0,0,0,0|1,0,1]=3 270 B7R0.6 CC(CNC(=S)N)C 1P001NWE [0,1,0,0,0,0|1,1,1]=4 271 B7R0.6 CC(NCC(=O)C)C 1P01ANL3 [0,1,0,0,0,0|1,0,1]=3 272 B7R0.6 CC(NCC(=O)N)C 1P00G7RH [0,1,0,0,0,0|1,0,1]=3 273 B7R0.6 CC(NCC(=O)N)C 1P019JUE [0,1,0,0,0,0|1,0,1]=3 274 B7R0.6 CC(NCC(=O)O)C 1P00C901 [0,1,0,0,0,0|1,0,1]=3 275 B7R0.6 CC(NCC(=O)O)C 1P019MFH [0,1,0,0,0,0|1,0,1]=3 276 B7R0.6 CC(NNC(=O)C)C 1P00DBJA [0,1,0,0,0,0|2,0,0]=3 277 B7R0.6 CC(OCC(=N)N)C 1P01A330 [0,1,0,0,0,0|2,0,1]=4 278 B7R0.6 CC(OCC(=O)Cl)C 1P01E7J0 [0,1,0,0,0,0|1,0,1]=3 279 B7R0.6 CC(OCC(=O)O)C 1P007FU5 [0,1,0,0,0,0|1,0,1]=3 280 B7R0.6 CC(OCC(=S)N)C 1P01B4GG [0,1,0,0,0,0|1,1,1]=4 281 B7R0.6 CC(SCC(=O)O)C 1P006WX6 [0,1,0,0,0,0|1,0,1]=3 282 B7R0.6 CC(\C=C\C(=O)O)C 1P001XCU [0,1,0,0,0,0|0,0,0]=1 283 B7R0.6 CC(\C=C\[N+](=O)[O-])C 1P002UV0 [0,1,0,0,0,0|1,0,0]=2 284 B7R0.6 CN(C=C[N+](=O)[O-])C 1P000PI3 [0,1,0,0,0,0|2,0,0]=3 285 B7R0.6 CN(CCC(=O)C)C 1P00C2GG [0,1,0,0,0,0|1,0,2]=4 286 B7R0.6 CN(CCC(=O)C)C 1P00J3Y6 [0,1,0,0,0,0|1,0,2]=4 287 B7R0.6 CN(CCC(=O)Cl)C 1P00GYU2 [0,1,0,0,0,0|1,0,2]=4 288 B7R0.6 CN(CCC(=O)N)C 1P002DMK [0,1,0,0,0,0|1,0,2]=4 289 B7R0.6 CN(CCC(=O)O)C 1P001FQ6 [0,1,0,0,0,0|1,0,2]=4 290 B7R0.6 CN(CCC(=O)O)C 1P00E97T [0,1,0,0,0,0|1,0,2]=4 291 B7R0.6 CN(\C=C\C(=O)C)C 1P003EQJ [0,1,0,0,0,0|1,0,0]=2 292 B7R0.6 CN(\C=C\[N+](=O)[O-])C 1P005OM5 [0,1,0,0,0,0|2,0,0]=3 293 B7R0.6 C[C@@H](CCC(=O)O)N 1P028SQ6 [0,1,0,0,0,0|1,0,2]=4 294 B7R0.6 C[C@H](CCC(=O)O)N 1P01P6YP [0,1,0,0,0,0|1,0,2]=4 295 B7R0.6 C[C@H](CCC(=O)O)S 1P028IQP [0,1,0,0,0,0|1,0,2]=4 296 B7R0.6 C[S+](CCC(=O)O)C 1P002KXE [0,1,0,0,0,0|1,0,2]=4 297 B7R0.6 C[S+](CCC(=O)O)C 1P003C35 [0,1,0,0,0,0|1,0,2]=4 298 B7R0.6 C[S+](CCC(=O)[O-])C 1P003Q49 [0,1,0,0,0,0|1,0,2]=4 299 B7R0.6 ClC(=O)\C=C\C(=O)Cl 1P0035F8 [0,1,0,0,0,0|2,0,1]=4 300 B7R0.6 FC(\C=C\C(=O)O)F 1P01DN4R [0,1,0,0,0,0|2,0,0]=3 301 B7R0.6 NC(=O)NN=C(C)C 1P003O3Y [0,1,0,0,0,0|2,0,1]=4 302 B7R0.6 NC(=O)\C=C/C(=O)N 1P003RW6 [0,1,0,0,0,0|2,0,1]=4 303 B7R0.6 NC(=O)\C=C/C(=O)O 1P0035KY [0,1,0,0,0,0|2,0,1]=4 304 B7R0.6 NC(=O)\C=C\C(=O)N 1P003R5Q [0,1,0,0,0,0|2,0,1]=4 305 B7R0.6 OC(=O)C=C=C(C)C 1P01GKTU [0,1,0,0,0,0|0,0,2]=3 306 B7R0.6 OC(=O)CC=C(C)C 1P00389R [0,1,0,0,0,0|0,0,2]=3 307 B7R0.6 OC(=O)\C=C/C(=O)O 1P0039G6 [0,1,0,0,0,0|2,0,1]=4 308 B7R0.6 OC(=O)\C=C/C(=O)O 1P003RW7 [0,1,0,0,0,0|2,0,1]=4 309 B7R0.6 OC(=O)\C=C/C(=O)O 1P00FASS [0,1,0,0,0,0|2,0,1]=4 310 B7R0.6 OC(=O)\C=C\C(=O)O 1P001G63 [0,1,0,0,0,0|2,0,1]=4 311 B7R0.6 OC(=O)\C=C\C(=O)O 1P002JTO [0,1,0,0,0,0|2,0,1]=4 312 B7R0.6 OC(=O)\C=C\C(=O)O 1P0035F6 [0,1,0,0,0,0|2,0,1]=4 313 B7R0.6 OC(=O)\C=C\C(=O)O 1P00BCCL [0,1,0,0,0,0|2,0,1]=4 314 B7R0.6 OC(=O)\C=C\C(=O)O 1P00G4L9 [0,1,0,0,0,0|2,0,1]=4 315 B7R0.6 OC(=O)\C=C\C(=O)O 1P00IM4G [0,1,0,0,0,0|2,0,1]=4 316 B7R0.6 [O-]C(=O)C=CC(=O)[O-] 1P003UT8 [0,1,0,0,0,0|2,0,1]=4 317 B7R0.6 [O-]C(=O)\C=C/C(=O)O 1P0032HL [0,1,0,0,0,0|2,0,1]=4 318 B7R0.6 [O-]C(=O)\C=C/C(=O)O 1P00FASU [0,1,0,0,0,0|2,0,1]=4 319 B7R0.6 [O-]C(=O)\C=C\C(=O)O 1P003UTI [0,1,0,0,0,0|2,0,1]=4 320 B7R0.8 BrCC=CC(C)(C)C 1P01I795 [0,1,0,0,0,0|1,0,1]=3 321 B7R0.8 C=C=CCC(O)(C)C 1P02913R [0,1,0,0,0,0|1,0,2]=4 322 B7R0.8 C=CC#CC(O)(C)C 1P005YUT [0,1,0,0,0,0|1,0,2]=4 323 B7R0.8 C=CCCC(Cl)(C)C 1P000DUC [0,1,0,0,0,0|1,0,2]=4 324 B7R0.8 C=CCCC(N)(C)C 1P01AMHK [0,1,0,0,0,0|1,0,2]=4 325 B7R0.8 C=CCCC(O)(C)C 1P001XUX [0,1,0,0,0,0|1,0,2]=4 326 B7R0.8 C=CCNC(C)(C)C 1P001VKT [0,1,0,0,0,0|2,0,1]=4 327 B7R0.8 C=CCNC(C)(C)C 1P01B79Y [0,1,0,0,0,0|2,0,1]=4 328 B7R0.8 CC(ON=S=O)(C)C 1P01XG8K [0,1,0,0,0,0|3,0,0]=4 329 B7R0.8 CC=CNC(C)(C)C 1P01C63Z [0,1,0,0,0,0|2,0,0]=3 330 B7R0.8 C[N+](C)(\C=C\CO)C 1P01FWQ9 [0,1,0,0,0,0|1,0,2]=4 331 B7R0.8 NC\C=C\C(C)(C)C 1P028UUR [0,1,0,0,0,0|1,0,1]=3 332 B7R0.8 O=C=NCC(C)(C)C 1P001OTY [0,1,0,0,0,0|1,0,2]=4 333 B7R0.8 O=CC#C[Si](C)(C)C 1P002ZR7 [0,1,0,0,0,0|0,1,2]=4 334 B7R0.8 O=CCCC(C)(C)C 1P01BEEG [0,1,0,0,0,0|0,0,2]=3 335 B7R0.8 O=CCCC(F)(F)C 1P01BUOY [0,1,0,0,0,0|1,0,2]=4 336 B7R0.8 O=CCOC(C)(C)C 1P020L8E [0,1,0,0,0,0|1,0,1]=3 337 B7R0.8 O=CCSC(C)(C)C 1P0052GW [0,1,0,0,0,0|1,0,1]=3 338 B7R0.8 OC\C=C\[Si](C)(C)C 1P003VDR [0,1,0,0,0,0|0,1,2]=4 339 B7R1.2 BrC1C=CC(=O)O1 1P00CLVZ [0,0,0,1,0,0|2,0,0]=3 340 B7R1.2 CC1=CCC(=O)O1 1P001512 [0,0,0,1,0,0|1,0,2]=4 341 B7R1.2 CC1C=CC(=O)O1 1P0034RE [0,0,0,1,0,0|1,0,0]=2 342 B7R1.2 CC1C=CC(=O)S1 1P006AW5 [0,0,0,1,0,0|1,0,0]=2 343 B7R1.2 CC1CC(=NC1)N 1P0286PE [0,0,0,1,0,0|2,0,1]=4 344 B7R1.2 CC1CC(=NO1)N 1P01A3QV [0,0,0,1,0,0|3,0,0]=4 345 B7R1.2 CC1CC(=O)CN1 1P021X75 [0,0,0,1,0,0|1,0,1]=3 346 B7R1.2 CC1CC(=O)CS1 1P019UCN [0,0,0,1,0,0|1,0,1]=3 347 B7R1.2 CC1CC(=O)NC1 1P0039AR [0,0,0,1,0,0|1,0,1]=3 348 B7R1.2 CC1CC(=O)OC1 1P00ARBT [0,0,0,1,0,0|1,0,1]=3 349 B7R1.2 CC1CCC(=O)C1 1P0021LM [0,0,0,1,0,0|0,0,2]=3 350 B7R1.2 CC1CCC(=O)N1 1P0034RL [0,0,0,1,0,0|1,0,2]=4 351 B7R1.2 CC1CCC(=O)O1 1P0035FE [0,0,0,1,0,0|1,0,2]=4 352 B7R1.2 CC1CNC(=O)O1 1P007BAB [0,0,0,1,0,0|2,0,1]=4 353 B7R1.2 CC1COC(=O)N1 1P001SNQ [0,0,0,1,0,0|2,0,1]=4 354 B7R1.2 CC1COC(=O)O1 1P0035ZW [0,0,0,1,0,0|2,0,1]=4 355 B7R1.2 CC1NNC(=O)C1 1P008YFX [0,0,0,1,0,0|2,0,0]=3 356 B7R1.2 CN1CCC(=O)C1 1P00G7GN [0,0,0,1,0,0|1,0,2]=4 357 B7R1.2 CN1CCC(=O)C1 1P00IC9G [0,0,0,1,0,0|1,0,2]=4 358 B7R1.2 C[C@@H]1CC(=O)CN1 1P024WZB [0,0,0,1,0,0|1,0,1]=3 359 B7R1.2 C[C@@H]1CC(=O)CN1 1P028JFG [0,0,0,1,0,0|1,0,1]=3 360 B7R1.2 C[C@@H]1CC(=O)NC1 1P002RUA [0,0,0,1,0,0|1,0,1]=3 361 B7R1.2 C[C@@H]1CCC(=O)C1 1P003CMA [0,0,0,1,0,0|0,0,2]=3 362 B7R1.2 C[C@@H]1CCC(=O)N1 1P00731A [0,0,0,1,0,0|1,0,2]=4 363 B7R1.2 C[C@@H]1CCC(=O)O1 1P00IAXM [0,0,0,1,0,0|1,0,2]=4 364 B7R1.2 C[C@@H]1CNC(=O)O1 1P00HCN8 [0,0,0,1,0,0|2,0,1]=4 365 B7R1.2 C[C@@H]1COC(=O)N1 1P0073E0 [0,0,0,1,0,0|2,0,1]=4 366 B7R1.2 C[C@@H]1COC(=O)O1 1P001WYA [0,0,0,1,0,0|2,0,1]=4 367 B7R1.2 C[C@H]1CC(=O)CN1 1P024HQB [0,0,0,1,0,0|1,0,1]=3 368 B7R1.2 C[C@H]1CC(=O)NC1 1P00I6FM [0,0,0,1,0,0|1,0,1]=3 369 B7R1.2 C[C@H]1CC(=O)OC1 1P00EB7B [0,0,0,1,0,0|1,0,1]=3 370 B7R1.2 C[C@H]1CCC(=O)C1 1P00H79H [0,0,0,1,0,0|0,0,2]=3 371 B7R1.2 C[C@H]1CCC(=O)N1 1P001OOA [0,0,0,1,0,0|1,0,2]=4 372 B7R1.2 C[C@H]1CCC(=O)O1 1P01A6OX [0,0,0,1,0,0|1,0,2]=4 373 B7R1.2 C[C@H]1COC(=O)N1 1P00BYK8 [0,0,0,1,0,0|2,0,1]=4 374 B7R1.2 C[C@H]1COC(=O)O1 1P0032OB [0,0,0,1,0,0|2,0,1]=4 375 B7R1.2 Cc1c[nH]c(=O)[nH]1 1P000ITB [0,0,0,1,0,0|2,0,1]=4 376 B7R1.2 Cc1c[nH]c(=O)s1 1P005LJG [0,0,0,1,0,0|2,0,1]=4 377 B7R1.2 Cc1ccc([nH]1)C 1P0033H9 [0,0,0,1,0,0|2,0,1]=4 378 B7R1.2 Cc1ccc(o1)Br 1P000LMO [0,0,0,1,0,0|2,0,1]=4 379 B7R1.2 Cc1ccc(o1)C 1P00IBHV [0,0,0,1,0,0|2,0,1]=4 380 B7R1.2 Cc1ccc(s1)Br 1P003H6V [0,0,0,1,0,0|2,0,1]=4 381 B7R1.2 Cc1ccc(s1)C 1P0037FV [0,0,0,1,0,0|2,0,1]=4 382 B7R1.2 Cc1ccc(s1)Cl 1P003BNY [0,0,0,1,0,0|2,0,1]=4 383 B7R1.2 Cc1ccc(s1)I 1P001VNL [0,0,0,1,0,0|2,0,1]=4 384 B7R1.2 Cc1ccc(s1)O 1P01DWX2 [0,0,0,1,0,0|1,0,2]=4 385 B7R1.2 Cc1ccc(s1)S 1P00D0KV [0,0,0,1,0,0|1,1,1]=4 386 B7R1.2 Cc1ccn(c1)C 1P01BKQP [0,0,0,1,0,0|2,0,1]=4 387 B7R1.2 Cc1ccn(n1)C 1P00332M [0,0,0,1,0,0|3,0,0]=4 388 B7R1.2 Cc1csc(=O)[nH]1 1P00CLWY [0,0,0,1,0,0|2,0,1]=4 389 B7R1.2 Cn1ccc(=O)[nH]1 1P00DIE4 [0,0,0,1,0,0|2,0,0]=3 390 B7R1.2 Cn1ccc(c1)N 1P000JBD [0,0,0,1,0,0|2,0,1]=4 391 B7R1.2 Cn1ccc(n1)Br 1P001NIN [0,0,0,1,0,0|3,0,0]=4 392 B7R1.2 Cn1ccc(n1)Cl 1P00EE7Y [0,0,0,1,0,0|3,0,0]=4 393 B7R1.2 Cn1ccc(n1)F 1P0276L4 [0,0,0,1,0,0|3,0,0]=4 394 B7R1.2 Cn1ccc(n1)I 1P00377H [0,0,0,1,0,0|3,0,0]=4 395 B7R1.2 Cn1ccc(n1)N 1P002F0L [0,0,0,1,0,0|3,0,0]=4 396 B7R1.2 Cn1cnc(=O)[nH]1 1P01B1NL [0,0,0,1,0,0|3,0,0]=4 397 B7R1.2 NC1CC(=O)NC1 1P003AG1 [0,0,0,1,0,0|2,0,1]=4 398 B7R1.2 NC1CC(=O)NC1 1P00H05Z [0,0,0,1,0,0|2,0,1]=4 399 B7R1.2 NC1CC(=O)OC1 1P00A9OT [0,0,0,1,0,0|2,0,1]=4 400 B7R1.2 N[C@@H]1CC(=O)NC1 1P0026U9 [0,0,0,1,0,0|2,0,1]=4 401 B7R1.2 N[C@@H]1CC(=O)OC1 1P000I8A [0,0,0,1,0,0|2,0,1]=4 402 B7R1.2 N[C@H]1CC(=O)NC1 1P00IL5T [0,0,0,1,0,0|2,0,1]=4 403 B7R1.2 N[C@H]1CC(=O)OC1 1P000I8B [0,0,0,1,0,0|2,0,1]=4 404 B7R1.2 O=C1C=CC(=O)C1 1P003LQK [0,0,0,1,0,0|1,0,1]=3 405 B7R1.2 O=C1C=CC(=O)N1 1P0035L0 [0,0,0,1,0,0|2,0,1]=4 406 B7R1.2 O=C1C=CC(=O)O1 1P0035KZ [0,0,0,1,0,0|2,0,1]=4 407 B7R1.2 O=C1C=CC(=O)O1 1P01G8TR [0,0,0,1,0,0|2,0,1]=4 408 B7R1.2 O=C1CC=C(O1)C 1P0035K2 [0,0,0,1,0,0|1,0,2]=4 409 B7R1.2 O=C1NN=C(C1)C 1P003K70 [0,0,0,1,0,0|2,0,1]=4 410 B7R1.2 OC1C=CC(=O)C1 1P00EJSF [0,0,0,1,0,0|1,0,0]=2 411 B7R1.2 OC1C=CC(=O)O1 1P001CQE [0,0,0,1,0,0|2,0,0]=3 412 B7R1.2 OC1CC(=O)NC1 1P00BFR9 [0,0,0,1,0,0|2,0,1]=4 413 B7R1.2 OC1CC(=O)OC1 1P003BUD [0,0,0,1,0,0|2,0,1]=4 414 B7R1.2 OC1CCC(=O)C1 1P0038LJ [0,0,0,1,0,0|1,0,2]=4 415 B7R1.2 O[C@@H]1C=C[C@@H](C1)O 1P003PFT [0,0,0,1,0,0|1,0,2]=4 416 B7R1.2 O[C@@H]1CC(=O)NC1 1P003BFG [0,0,0,1,0,0|2,0,1]=4 417 B7R1.2 O[C@@H]1CC(=O)OC1 1P003CQZ [0,0,0,1,0,0|2,0,1]=4 418 B7R1.2 O[C@H]1C=CC(=O)C1 1P00E9HE [0,0,0,1,0,0|1,0,0]=2 419 B7R1.2 O[C@H]1CC(=O)NC1 1P0032XY [0,0,0,1,0,0|2,0,1]=4 420 B7R1.2 O[C@H]1CC(=O)OC1 1P005F8J [0,0,0,1,0,0|2,0,1]=4 421 B7R1.3 BrC1CCCC=C1 1P003A3D [0,0,0,1,0,0|2,0,1]=4 422 B7R1.3 CC1CCC=CC1 1P003M66 [0,0,0,1,0,0|1,0,1]=3 423 B7R1.3 CC1CCCC=C1 1P003K57 [0,0,0,1,0,0|1,0,1]=3 424 B7R1.3 CN1CCC=CC1 1P005YOU [0,0,0,1,0,0|2,0,1]=4 425 B7R1.3 C[n+]1ccccc1 1P003EZK [0,0,0,1,0,0|2,0,1]=4 426 B7R1.3 C[n+]1ccccc1 1P00GUZE [0,0,0,1,0,0|2,0,1]=4 427 B7R1.3 Cc1ccccn1 1P0023GU [0,0,0,1,0,0|2,0,1]=4 428 B7R1.3 Cc1ccccn1 1P0037Z6 [0,0,0,1,0,0|2,0,1]=4 429 B7R1.3 Cc1cccnc1 1P003486 [0,0,0,1,0,0|1,0,2]=4 430 B7R1.3 Cc1cccnn1 1P001UBK [0,0,0,1,0,0|2,0,1]=4 431 B7R1.3 ClC1CCCC=C1 1P003JRB [0,0,0,1,0,0|2,0,1]=4 432 B7R1.3 NC1CCC=CC1 1P00BFWK [0,0,0,1,0,0|2,0,1]=4 433 B7R1.3 NC1CCCC=C1 1P018SO4 [0,0,0,1,0,0|2,0,1]=4 434 B7R1.3 N[C@@H]1CCCC=C1 1P028YJZ [0,0,0,1,0,0|2,0,1]=4 435 B7R1.3 N[C@H]1CCC=CC1 1P028WD5 [0,0,0,1,0,0|2,0,1]=4 436 B7R1.3 N[C@H]1CCCC=C1 1P028TS8 [0,0,0,1,0,0|2,0,1]=4 437 B7R1.3 OC1CCC=CC1 1P0036YC [0,0,0,1,0,0|2,0,1]=4 438 B7R1.3 OC1CCCC=C1 1P003HL7 [0,0,0,1,0,0|2,0,1]=4 439 B7R1.3 OC1CNCC=C1 1P00CLDM [0,0,0,1,0,0|2,0,1]=4 440 B7R1.3 OC1COCC=C1 1P00E6GS [0,0,0,1,0,0|1,0,2]=4 441 B7R1.3 O[C@@H]1CCCC=C1 1P007HSE [0,0,0,1,0,0|2,0,1]=4 442 B7R1.3 O[C@H]1CCCC=C1 1P01JFX5 [0,0,0,1,0,0|2,0,1]=4 443 B7R1.5 CC1CC1N=C=O 1P01A1Y3 [0,0,0,1,0,0|1,0,2]=4 444 B7R1.7 C=CCNC1CC1 1P01A4VA [0,0,0,1,0,0|2,0,1]=4 445 B7R1.7 NCC=CC1CC1 1P01AMKL [0,0,0,1,0,0|1,0,1]=3 446 B7R1.7 O=C=NCC1CC1 1P0173LX [0,0,0,1,0,0|1,0,2]=4 447 B7R1.7 O=CCCC1CC1 1P00DKQ3 [0,0,0,1,0,0|0,0,2]=3 448 B7R1.7 OC\C=C/C1CC1 1P0287QQ [0,0,0,1,0,0|0,0,2]=3 449 B7R1.7 OC\C=C\C1CC1 1P001RIK [0,0,0,1,0,0|0,0,2]=3 450 B7R1.7 ON=CCC1CC1 1P01EK78 [0,0,0,1,0,0|1,0,2]=4 451 B7R1.10 O=C[C@@H]1C[C@H](C1)F 1P028286 [0,0,0,1,0,0|1,0,2]=4 452 B7R1.14 CC1(C)CCC=C1 1P00EVES [0,0,0,1,0,0|1,0,1]=3 453 B7R1.14 CC1(C)NC=NC1 1P002MH3 [0,0,0,1,0,0|2,0,1]=4 454 B7R1.14 CC1(C)NCC=C1 1P028N3A [0,0,0,1,0,0|1,0,1]=3 455 B7R1.14 CC1(C)OCC=C1 1P028SZ9 [0,0,0,1,0,0|0,0,2]=3 456 B7R1.14 CC1(N)CC=CC1 1P01B2O1 [0,0,0,1,0,0|2,0,1]=4 457 B7R1.14 C[Si]1(C)CC=CC1 1P001SHS [0,0,0,1,0,0|1,1,1]=4 458 B7R1.17 O=C1CCC1(C)C 1P000PMW [0,0,0,1,0,0|0,0,2]=3 459 B7R1.17 O=C1COC1(C)C 1P00ILW0 [0,0,0,1,0,0|1,0,1]=3 460 B7R1.17 O=C1NCC1(C)C 1P005SY2 [0,0,0,1,0,0|1,0,1]=3 461 B7R1.17 O=C1OCC1(C)C 1P00AEIM [0,0,0,1,0,0|1,0,1]=3 462 B7R1.23 CC1(Br)CC1C=O 1P01BW75 [0,0,0,1,0,0|1,0,2]=4 463 B7R1.23 O=CC1CC1(C)C 1P002S7I [0,0,0,1,0,0|0,0,2]=3 464 B7R1.23 O=CC1OC1(C)C 1P01B68F [0,0,0,1,0,0|1,0,1]=3 465 B7R1.23 O=C[C@H]1CC1(C)C 1P01C9FL [0,0,0,1,0,0|0,0,2]=3 466 B4R0.1 BrC=C(C)C 1P003367 [2,0,0,0,0,0|1,0,1]=4 467 B4R0.1 BrC=[N+](C)C 1P002PVD [2,0,0,0,0,0|2,0,0]=4 468 B4R0.1 BrCC(C)C 1P003366 [2,0,0,0,0,0|1,0,1]=4 469 B4R0.1 Br[Mg]C(C)C 1P0035IZ [2,0,0,0,0,0|2,0,0]=4 470 B4R0.1 C=CC(=C)C 1P003RL1 [2,0,0,0,0,0|0,0,2]=4 471 B4R0.1 C=NN(C)C 1P00BFMK [2,0,0,0,0,0|2,0,0]=4 472 B4R0.1 CC(=C)C=O 1P0035LF [2,0,0,0,0,0|0,0,2]=4 473 B4R0.1 CC(C#N)C 1P0038WA [2,0,0,0,0,0|1,0,1]=4 474 B4R0.1 CC(C=C)Cl 1P00343Y [2,0,0,0,0,0|1,0,0]=3 475 B4R0.1 CC(C=C)N 1P01A1MZ [2,0,0,0,0,0|1,0,0]=3 476 B4R0.1 CC(C=C)N 1P01AL0X [2,0,0,0,0,0|1,0,0]=3 477 B4R0.1 CC(C=C)O 1P003JM7 [2,0,0,0,0,0|1,0,0]=3 478 B4R0.1 CC(C=O)Br 1P002CQO [2,0,0,0,0,0|1,0,0]=3 479 B4R0.1 CC(C=O)Cl 1P006MCM [2,0,0,0,0,0|1,0,0]=3 480 B4R0.1 CC([N+]#[C-])C 1P003RLN [2,0,0,0,0,0|1,0,1]=4 481 B4R0.1 CC=C(C)C 1P003I2C [2,0,0,0,0,0|0,0,2]=4 482 B4R0.1 CN(C=O)N 1P00G5EA [2,0,0,0,0,0|2,0,0]=4 483 B4R0.1 C[C@@H](C=C)N 1P00AO6Z [2,0,0,0,0,0|1,0,0]=3 484 B4R0.1 C[C@@H](C=C)N 1P024UN5 [2,0,0,0,0,0|1,0,0]=3 485 B4R0.1 C[C@H](C=C)N 1P01EMC7 [2,0,0,0,0,0|1,0,0]=3 486 B4R0.1 C[C@H](C=C)O 1P00CLJ5 [2,0,0,0,0,0|1,0,0]=3 487 B4R0.1 ClC=C(C)C 1P003EOC [2,0,0,0,0,0|1,0,1]=4 488 B4R0.1 ClC=[N+](C)C 1P0032TX [2,0,0,0,0,0|2,0,0]=4 489 B4R0.1 ClCC(C)C 1P0036A5 [2,0,0,0,0,0|1,0,1]=4 490 B4R0.1 ICC(C)C 1P003RJE [2,0,0,0,0,0|1,0,1]=4 491 B4R0.1 NCC(C)C 1P003RJP [2,0,0,0,0,0|1,0,1]=4 492 B4R0.1 NCC(C)C 1P003RJQ [2,0,0,0,0,0|1,0,1]=4 493 B4R0.1 NCC(C)C 1P00C4UX [2,0,0,0,0,0|1,0,1]=4 494 B4R0.1 NCC(C)C 1P00ICXR [2,0,0,0,0,0|1,0,1]=4 495 B4R0.1 NNC(C)C 1P0035IX [2,0,0,0,0,0|2,0,0]=4 496 B4R0.1 NOC(C)C 1P00396P [2,0,0,0,0,0|2,0,0]=4 497 B4R0.1 O=CC(=O)C 1P00360Q [2,0,0,0,0,0|1,0,1]=4 498 B4R0.1 O=CC(C)C 1P0035IE [2,0,0,0,0,0|0,0,0]=2 499 B4R0.1 OCC(C)C 1P0035IA [2,0,0,0,0,0|0,0,2]=4 500 B4R0.1 ONC(C)C 1P00DES9 [2,0,0,0,0,0|1,0,1]=4 501 B4R0.1 ONC(C)C 1P00DF6Q [2,0,0,0,0,0|1,0,1]=4 502 B4R0.1 PCC(C)C 1P0074H8 [2,0,0,0,0,0|1,0,1]=4 503 B4R0.1 S=CN(C)C 1P003T2D [2,0,0,0,0,0|1,1,0]=4 504 B4R0.1 SCC(C)C 1P003RJW [2,0,0,0,0,0|0,1,1]=4 505 B4R0.1 [O-]CC(C)C 1P003V60 [2,0,0,0,0,0|0,0,2]=4 506 B4R0.2 BrCC=C=C 1P007SON [2,0,0,0,0,0|1,0,1]=4 507 B4R0.2 BrCCC=C 1P0036EE [2,0,0,0,0,0|1,0,1]=4 508 B4R0.2 C=CNC=O 1P000ZZS [2,0,0,0,0,0|1,0,1]=4 509 B4R0.2 CC#CC=O 1P0084H8 [2,0,0,0,0,0|0,0,2]=4 510 B4R0.2 CC=CC#C 1P00711Z [2,0,0,0,0,0|1,0,1]=4 511 B4R0.2 CCC=C=C 1P003DW4 [2,0,0,0,0,0|0,0,1]=3 512 B4R0.2 CCC=CC 1P007AVD [2,0,0,0,0,0|0,0,1]=3 513 B4R0.2 CCCC=O 1P000KEO [2,0,0,0,0,0|0,0,1]=3 514 B4R0.2 CCN=C=O 1P0038SX [2,0,0,0,0,0|1,0,1]=4 515 B4R0.2 CCNC=O 1P003TGY [2,0,0,0,0,0|1,0,0]=3 516 B4R0.2 CCOC=N 1P001XGZ [2,0,0,0,0,0|2,0,0]=4 517 B4R0.2 CCOC=O 1P0035CU [2,0,0,0,0,0|1,0,0]=3 518 B4R0.2 CC\C=C/Br 1P007IN8 [2,0,0,0,0,0|1,0,0]=3 519 B4R0.2 CNCC=C 1P003T6C [2,0,0,0,0,0|1,0,1]=4 520 B4R0.2 COCC=C 1P0034WM [2,0,0,0,0,0|1,0,1]=4 521 B4R0.2 CO\C=C\C 1P00FAME [2,0,0,0,0,0|1,0,1]=4 522 B4R0.2 CSC=CC 1P00056G [2,0,0,0,0,0|1,0,1]=4 523 B4R0.2 CSCC=C 1P00056H [2,0,0,0,0,0|1,0,1]=4 524 B4R0.2 C\C=C/C=C 1P001PWM [2,0,0,0,0,0|0,0,1]=3 525 B4R0.2 C\C=C\CCl 1P003378 [2,0,0,0,0,0|1,0,1]=4 526 B4R0.2 C\C=C\CN 1P01EMOF [2,0,0,0,0,0|1,0,1]=4 527 B4R0.2 C\C=C\CO 1P00DA5X [2,0,0,0,0,0|0,0,2]=4 528 B4R0.2 ClC=CCI 1P02863A [2,0,0,0,0,0|2,0,0]=4 529 B4R0.2 ClCCC=C 1P0061AK [2,0,0,0,0,0|1,0,1]=4 530 B4R0.2 ClC\C=C\Cl 1P0002YA [2,0,0,0,0,0|2,0,0]=4 531 B4R0.2 Cl\C=C\CBr 1P007ADE [2,0,0,0,0,0|2,0,0]=4 532 B4R0.2 ICCC=C 1P005930 [2,0,0,0,0,0|1,0,1]=4 533 B4R0.2 NCC=C=C 1P00J3EU [2,0,0,0,0,0|1,0,1]=4 534 B4R0.2 NCCC=C 1P0026RD [2,0,0,0,0,0|1,0,1]=4 535 B4R0.2 NCCC=C 1P0240HB [2,0,0,0,0,0|1,0,1]=4 536 B4R0.2 NC\C=C/Br 1P027U0V [2,0,0,0,0,0|2,0,0]=4 537 B4R0.2 N\C=C\C=O 1P002WE0 [2,0,0,0,0,0|1,0,0]=3 538 B4R0.2 O=CNC=O 1P0023PT [2,0,0,0,0,0|2,0,0]=4 539 B4R0.2 OCC=C=C 1P002IEG [2,0,0,0,0,0|1,0,1]=4 540 B4R0.2 OCC=CCl 1P002Z7O [2,0,0,0,0,0|2,0,0]=4 541 B4R0.2 OCCC=C 1P00343U [2,0,0,0,0,0|1,0,1]=4 542 B4R0.2 OCCC=O 1P0038NL [2,0,0,0,0,0|1,0,1]=4 543 B4R0.2 OC\C=C\Br 1P007A84 [2,0,0,0,0,0|2,0,0]=4 544 B4R0.2 O\C=C/CCl 1P002QHU [2,0,0,0,0,0|1,0,1]=4 545 B4R0.2 SC\C=C/Br 1P027ZSR [2,0,0,0,0,0|2,0,0]=4 546 B4R0.2 [CH-]=COCC 1P003D67 [2,0,0,0,0,0|1,0,1]=4 547 B4R0.2 [Pd+]C\C=C\C 1P003C2W [2,0,0,0,0,0|1,0,1]=4 548 B6R0.1 CC(C=C=C)CO 1P028UHN [1,1,0,0,0,0|0,0,1]=3 549 B6R0.1 CC(CC)CC=O 1P001RBW [1,1,0,0,0,0|0,0,1]=3 550 B6R0.1 CC(CCl)CC=C 1P01BL6V [1,1,0,0,0,0|0,0,1]=3 551 B6R0.1 CC(N=C=O)CCl 1P028CZL [1,1,0,0,0,0|1,0,1]=4 552 B6R0.1 CC(SC)CC=O 1P001X2Y [1,1,0,0,0,0|0,0,1]=3 553 B6R0.1 CCC(CC=C)N 1P01B82X [1,1,0,0,0,0|1,0,1]=4 554 B6R0.1 CCC(CC=C)O 1P00617Z [1,1,0,0,0,0|1,0,1]=4 555 B6R0.1 NC(CO)CC=C 1P00BJSZ [1,1,0,0,0,0|1,0,1]=4 556 B6R0.1 NC(CO)CC=C 1P01AC0Y [1,1,0,0,0,0|1,0,1]=4 557 B6R0.1 NCC(CC=C)O 1P00J3DJ [1,1,0,0,0,0|1,0,1]=4 558 B6R0.1 NC[C@H](CC=C)O 1P00BHRB [1,1,0,0,0,0|1,0,1]=4 559 B6R0.1 N[C@@H](CO)CC=C 1P00IHR8 [1,1,0,0,0,0|1,0,1]=4 560 B6R0.1 N[C@@H](CO)CC=C 1P028ZL4 [1,1,0,0,0,0|1,0,1]=4 561 B6R0.1 N[C@H](CO)CC=C 1P00IHR7 [1,1,0,0,0,0|1,0,1]=4 562 B6R0.1 OCC(CC=C)Br 1P02848A [1,1,0,0,0,0|1,0,1]=4 563 B6R0.2 CC(=CC(=O)C)C 1P001G6Y [1,1,0,0,0,0|0,0,1]=3 564 B6R0.2 CC(=CC(=O)C)O 1P001CNO [1,1,0,0,0,0|1,0,1]=4 565 B6R0.2 CC(=CC(=O)Cl)C 1P003K7P [1,1,0,0,0,0|0,0,1]=3 566 B6R0.2 CC(=CC(=O)N)C 1P01BER2 [1,1,0,0,0,0|0,0,1]=3 567 B6R0.2 CC(=CC(=O)O)C 1P0033YA [1,1,0,0,0,0|0,0,1]=3 568 B6R0.2 CC(=CC(=O)O)Cl 1P00DGVA [1,1,0,0,0,0|1,0,1]=4 569 B6R0.2 CC(=CC(=O)O)I 1P01JX6Y [1,1,0,0,0,0|1,0,1]=4 570 B6R0.2 CC(=CC(O)C)C 1P0074MI [1,1,0,0,0,0|1,0,1]=4 571 B6R0.2 CC(=C[N+](=O)[O-])C 1P00HZ2E [1,1,0,0,0,0|1,0,1]=4 572 B6R0.2 CC(C=C(C)C)C 1P003GAP [1,1,0,0,0,0|0,0,1]=3 573 B6R0.2 CC(CC(=C)Br)C 1P0279S8 [1,1,0,0,0,0|0,0,1]=3 574 B6R0.2 CC(CC(=C)C)C 1P003GAN [1,1,0,0,0,0|0,0,1]=3 575 B6R0.2 CC(CC(=N)N)C 1P00EK2S [1,1,0,0,0,0|1,0,1]=4 576 B6R0.2 CC(CC(=O)C)N 1P00J23J [1,1,0,0,0,0|1,0,1]=4 577 B6R0.2 CC(CC(=O)C)O 1P00723Y [1,1,0,0,0,0|1,0,1]=4 578 B6R0.2 CC(CC(=O)Cl)C 1P0035J3 [1,1,0,0,0,0|0,0,1]=3 579 B6R0.2 CC(CC(=O)Cl)Cl 1P01BTXW [1,1,0,0,0,0|1,0,1]=4 580 B6R0.2 CC(CC(=O)F)C 1P01B7CV [1,1,0,0,0,0|0,0,1]=3 581 B6R0.2 CC(CC(=O)N)C 1P003RMF [1,1,0,0,0,0|0,0,1]=3 582 B6R0.2 CC(CC(=O)N)Cl 1P028G15 [1,1,0,0,0,0|1,0,1]=4 583 B6R0.2 CC(CC(=O)N)N 1P01C1RK [1,1,0,0,0,0|1,0,1]=4 584 B6R0.2 CC(CC(=O)N)O 1P007O9T [1,1,0,0,0,0|1,0,1]=4 585 B6R0.2 CC(CC(=O)O)Br 1P002SV2 [1,1,0,0,0,0|1,0,1]=4 586 B6R0.2 CC(CC(=O)O)C 1P003RMG [1,1,0,0,0,0|0,0,1]=3 587 B6R0.2 CC(CC(=O)O)Cl 1P003JRA [1,1,0,0,0,0|1,0,1]=4 588 B6R0.2 CC(CC(=O)O)F 1P028OF4 [1,1,0,0,0,0|1,0,1]=4 589 B6R0.2 CC(CC(=O)O)N 1P003JE2 [1,1,0,0,0,0|1,0,1]=4 590 B6R0.2 CC(CC(=O)O)O 1P003K12 [1,1,0,0,0,0|1,0,1]=4 591 B6R0.2 CC(CC(=O)O)S 1P002TTH [1,1,0,0,0,0|1,0,1]=4 592 B6R0.2 CC(CC(=S)N)C 1P00AR7D [1,1,0,0,0,0|0,1,1]=4 593 B6R0.2 CC(CS(=O)Cl)C 1P01C9KJ [1,1,0,0,0,0|1,0,1]=4 594 B6R0.2 CC(CS(=O)[O-])C 1P01BCHN [1,1,0,0,0,0|1,0,1]=4 595 B6R0.2 CC(C[N+](=O)[O-])C 1P00F3HC [1,1,0,0,0,0|1,0,1]=4 596 B6R0.2 CC(N=C(C)C)C 1P00CKF9 [1,1,0,0,0,0|1,0,1]=4 597 B6R0.2 CC(NC(=N)N)C 1P0055O6 [1,1,0,0,0,0|2,0,0]=4 598 B6R0.2 CC(NC(=O)C)C 1P0084JZ [1,1,0,0,0,0|1,0,0]=3 599 B6R0.2 CC(NC(=O)Cl)C 1P01B38E [1,1,0,0,0,0|1,0,0]=3 600 B6R0.2 CC(NC(=O)N)C 1P005LHL [1,1,0,0,0,0|1,0,0]=3 601 B6R0.2 CC(NC(=S)C)C 1P01A5JR [1,1,0,0,0,0|1,0,1]=4 602 B6R0.2 CC(NC(=S)N)C 1P00APGI [1,1,0,0,0,0|1,1,0]=4 603 B6R0.2 CC(OC(=O)C)Br 1P00336T [1,1,0,0,0,0|2,0,0]=4 604 B6R0.2 CC(OC(=O)C)C 1P0036E9 [1,1,0,0,0,0|1,0,0]=3 605 B6R0.2 CC(OC(=O)C)Cl 1P00EN9H [1,1,0,0,0,0|2,0,0]=4 606 B6R0.2 CC(OC(=O)Cl)Cl 1P003528 [1,1,0,0,0,0|2,0,0]=4 607 B6R0.2 CC(OC(=O)N)C 1P00209N [1,1,0,0,0,0|1,0,0]=3 608 B6R0.2 CC(OC(=S)[S-])C 1P001CEW [1,1,0,0,0,0|1,1,0]=4 609 B6R0.2 CC(OC(=S)[S-])C 1P001CEX [1,1,0,0,0,0|1,1,0]=4 610 B6R0.2 CC(O[N+](=O)[O-])C 1P0039DL [1,1,0,0,0,0|2,0,0]=4 611 B6R0.2 CC(SC(=N)N)C 1P00BYWC [1,1,0,0,0,0|2,0,0]=4 612 B6R0.2 CC(SC(=O)Cl)C 1P001A85 [1,1,0,0,0,0|1,0,0]=3 613 B6R0.2 CN(CC(=O)C)C 1P003DJS [1,1,0,0,0,0|1,0,1]=4 614 B6R0.2 CN(CC(=O)Cl)C 1P003Q3N [1,1,0,0,0,0|1,0,1]=4 615 B6R0.2 CN(CC(=O)N)C 1P01BFB9 [1,1,0,0,0,0|1,0,1]=4 616 B6R0.2 CN(CC(=O)O)C 1P002QBC [1,1,0,0,0,0|1,0,1]=4 617 B6R0.2 CN(CC(=O)O)C 1P003T1T [1,1,0,0,0,0|1,0,1]=4 618 B6R0.2 C[C@@H](CC(=O)N)O 1P028625 [1,1,0,0,0,0|1,0,1]=4 619 B6R0.2 C[C@@H](CC(=O)O)F 1P028OKF [1,1,0,0,0,0|1,0,1]=4 620 B6R0.2 C[C@@H](CC(=O)O)N 1P0036AK [1,1,0,0,0,0|1,0,1]=4 621 B6R0.2 C[C@@H](CC(=O)O)N 1P00IAVS [1,1,0,0,0,0|1,0,1]=4 622 B6R0.2 C[C@@H](CC(=O)O)O 1P003ANQ [1,1,0,0,0,0|1,0,1]=4 623 B6R0.2 C[C@H](CC(=O)N)O 1P027UQQ [1,1,0,0,0,0|1,0,1]=4 624 B6R0.2 C[C@H](CC(=O)O)N 1P003CQA [1,1,0,0,0,0|1,0,1]=4 625 B6R0.2 C[C@H](CC(=O)O)N 1P00EB6J [1,1,0,0,0,0|1,0,1]=4 626 B6R0.2 C\C(=C/C(=O)C)\N 1P008UX7 [1,1,0,0,0,0|1,0,1]=4 627 B6R0.2 C\C(=C/C(=O)C)\O 1P003CFY [1,1,0,0,0,0|1,0,1]=4 628 B6R0.2 C\C(=C\C(=O)O)\I 1P00CS58 [1,1,0,0,0,0|1,0,1]=4 629 B6R0.2 [O-]C(=CC(=O)C)C 1P001DMI [1,1,0,0,0,0|1,0,1]=4 630 B6R0.2 [O-]C(=CC(=O)C)C 1P007K19 [1,1,0,0,0,0|1,0,1]=4 631 B6R0.2 [O-]C(=O)CC(O)C 1P001MOO [1,1,0,0,0,0|1,0,1]=4 632 B6R0.2 [O-]C(=O)C[C@@H](O)C 1P000XO5 [1,1,0,0,0,0|1,0,1]=4 633 B6R0.2 [O-]C(=O)C[C@H](O)C 1P0032U9 [1,1,0,0,0,0|1,0,1]=4 634 B6R0.2 [O-]C(=O)C[S+](C)C 1P00I931 [1,1,0,0,0,0|1,0,1]=4 635 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P000730 [1,1,0,0,0,0|1,0,1]=4 636 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P000KUZ [1,1,0,0,0,0|1,0,1]=4 637 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001JBG [1,1,0,0,0,0|1,0,1]=4 638 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001O7Y [1,1,0,0,0,0|1,0,1]=4 639 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P001P65 [1,1,0,0,0,0|1,0,1]=4 640 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P0034ZO [1,1,0,0,0,0|1,0,1]=4 641 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P0035I1 [1,1,0,0,0,0|1,0,1]=4 642 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P003A2R [1,1,0,0,0,0|1,0,1]=4 643 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P003RWL [1,1,0,0,0,0|1,0,1]=4 644 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00AP2Z [1,1,0,0,0,0|1,0,1]=4 645 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00HXES [1,1,0,0,0,0|1,0,1]=4 646 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00I3HS [1,1,0,0,0,0|1,0,1]=4 647 B6R0.2 [O-]\C(=C/C(=O)C)\C 1P00IKWB [1,1,0,0,0,0|1,0,1]=4 648 B6R0.2 [O-]\C(=C\C(=O)C)\C 1P001CNL [1,1,0,0,0,0|1,0,1]=4 649 B6R0.2 [O-]\C(=C\C(=O)C)\C 1P00IM16 [1,1,0,0,0,0|1,0,1]=4 650 B6R0.3 BrCC(=O)C(C)C 1P002CQP [1,1,0,0,0,0|1,0,1]=4 651 B6R0.3 C=CC(=O)C(C)C 1P001SJ3 [1,1,0,0,0,0|0,0,0]=2 652 B6R0.3 C=CC(=O)N(C)C 1P003T1H [1,1,0,0,0,0|1,0,0]=3 653 B6R0.3 C=CC(C(C)C)O 1P00DBHA [1,1,0,0,0,0|0,0,1]=3 654 B6R0.3 CC(C(=C)C#N)C 1P007LPI [1,1,0,0,0,0|1,0,1]=4 655 B6R0.3 CC(C(=NN)N)C 1P027V3Z [1,1,0,0,0,0|2,0,0]=4 656 B6R0.3 CC(N(N=O)C)C 1P00BX3Z [1,1,0,0,0,0|2,0,0]=4 657 B6R0.3 CC(\C(=N\O)\N)C 1P004QVA [1,1,0,0,0,0|1,0,1]=4 658 B6R0.3 CCC(=O)C(C)C 1P00E9N8 [1,1,0,0,0,0|0,0,2]=4 659 B6R0.3 COC(=N)C(C)C 1P00I89Q [1,1,0,0,0,0|1,0,1]=4 660 B6R0.3 COC(=O)C(C)C 1P0035PL [1,1,0,0,0,0|1,0,1]=4 661 B6R0.3 C[C@@H]([C@H](O)C)C=C 1P01XCHP [1,1,0,0,0,0|1,0,1]=4 662 B6R0.3 C[C@H]([C@@H](O)C)C=C 1P01H7DW [1,1,0,0,0,0|1,0,1]=4 663 B6R0.3 C[C@H]([C@H](O)C)C=C 1P02031P [1,1,0,0,0,0|1,0,1]=4 664 B6R0.3 ClCC(=O)C(C)C 1P0025F5 [1,1,0,0,0,0|1,0,1]=4 665 B6R0.3 NCC(=O)C(C)C 1P01AI3X [1,1,0,0,0,0|1,0,1]=4 666 B6R0.3 NNC(=O)C(C)C 1P00I7MY [1,1,0,0,0,0|2,0,0]=4 667 B6R0.3 O=CC(C(C)C)Br 1P01A6VL [1,1,0,0,0,0|0,0,1]=3 668 B6R0.3 O=CC(C(C)C)C 1P002LJ1 [1,1,0,0,0,0|0,0,1]=3 669 B6R0.3 OCC(=O)C(C)C 1P00CYUK [1,1,0,0,0,0|0,0,2]=4 670 B6R0.3 ONC(=N)C(C)C 1P003RJ2 [1,1,0,0,0,0|1,0,1]=4 671 B6R0.3 ONC(=N)C(C)C 1P01DDTD [1,1,0,0,0,0|1,0,1]=4 672 B6R0.5 BrC=C[Si](C)(C)C 1P0012VK [1,1,0,0,0,0|1,1,0]=4 673 B6R0.5 C=C=CP(=O)(C)C 1P028RR9 [1,1,0,0,0,0|1,0,1]=4 674 B6R0.5 C=CCC(C)(C)C 1P003KWD [1,1,0,0,0,0|0,0,1]=3 675 B6R0.5 C=CCC(O)(C)C 1P00ECQ0 [1,1,0,0,0,0|0,0,1]=3 676 B6R0.5 C=CCP(=O)(C)C 1P028TVF [1,1,0,0,0,0|1,0,1]=4 677 B6R0.5 C=CC[N+](C)(C)C 1P001NWH [1,1,0,0,0,0|1,0,1]=4 678 B6R0.5 C=CC[Si](C)(C)C 1P0034WR [1,1,0,0,0,0|0,1,1]=4 679 B6R0.5 C=COC(C)(C)C 1P003V22 [1,1,0,0,0,0|1,0,0]=3 680 B6R0.5 C=CO[Si](C)(C)C 1P003VS9 [1,1,0,0,0,0|1,1,0]=4 681 B6R0.5 CC=CP(=O)(C)C 1P028FV6 [1,1,0,0,0,0|1,0,1]=4 682 B6R0.5 CC=NC(C)(C)C 1P005XIA [1,1,0,0,0,0|1,0,1]=4 683 B6R0.5 I\C=C\[Si](C)(C)C 1P00ICK5 [1,1,0,0,0,0|1,1,0]=4 684 B6R0.5 O=CCC(C)(C)C 1P0033YD [1,1,0,0,0,0|0,0,1]=3 685 B6R0.5 O=CCC(F)(F)C 1P027N7J [1,1,0,0,0,0|1,0,1]=4 686 B6R0.5 O=CC[N+](C)(C)C 1P005H63 [1,1,0,0,0,0|1,0,1]=4 687 B6R0.5 O=CC[N+](C)(C)C 1P006738 [1,1,0,0,0,0|1,0,1]=4 688 B6R0.5 O=CNC(C)(C)C 1P003TU0 [1,1,0,0,0,0|1,0,0]=3 689 B6R0.5 ON=CC(C)(C)C 1P00E99L [1,1,0,0,0,0|1,0,1]=4 690 B6R0.5 O\N=C\C(C)(C)C 1P01DC9S [1,1,0,0,0,0|1,0,1]=4 691 B6R0.6 BrCCCCC=O 1P000IND [1,1,0,0,0,0|0,0,2]=4 692 B6R0.6 CC=C=CCCN 1P028E11 [1,1,0,0,0,0|1,0,1]=4 693 B6R0.6 CC=CC=CC#N 1P001NWM [1,1,0,0,0,0|1,0,1]=4 694 B6R0.6 CC=CC=CCO 1P003VBC [1,1,0,0,0,0|0,0,2]=4 695 B6R0.6 CC=CCCCO 1P00EG91 [1,1,0,0,0,0|1,0,1]=4 696 B6R0.6 CCCC=CC=O 1P003VD0 [1,1,0,0,0,0|0,0,0]=2 697 B6R0.6 CCCCCC=O 1P0033AJ [1,1,0,0,0,0|0,0,2]=4 698 B6R0.6 CCCCNC=O 1P004TQ7 [1,1,0,0,0,0|0,0,2]=4 699 B6R0.6 CCC\C=C\CC 1P001EUK [1,1,0,0,0,0|1,0,1]=4 700 B6R0.6 CCC\C=C\CI 1P000HQT [1,1,0,0,0,0|1,0,1]=4 701 B6R0.6 CCC\C=C\CN 1P01DWZW [1,1,0,0,0,0|1,0,1]=4 702 B6R0.6 CCC\C=C\CO 1P00GS1G [1,1,0,0,0,0|0,0,2]=4 703 B6R0.6 CCOC=CCC 1P003EMN [1,1,0,0,0,0|1,0,1]=4 704 B6R0.6 CCOCCC=O 1P00BG9R [1,1,0,0,0,0|0,0,2]=4 705 B6R0.6 CCO\C=C\C#N 1P003JUC [1,1,0,0,0,0|1,0,1]=4 706 B6R0.6 CC\C=C/CC=O 1P003PF5 [1,1,0,0,0,0|0,0,0]=2 707 B6R0.6 COCC#CC=O 1P028NXR [1,1,0,0,0,0|0,0,2]=4 708 B6R0.6 COCC=CCN 1P01XINX [1,1,0,0,0,0|1,0,1]=4 709 B6R0.6 COCCCC=O 1P00CBQP [1,1,0,0,0,0|0,0,2]=4 710 B6R0.6 COCCNC=O 1P01DWWC [1,1,0,0,0,0|1,0,1]=4 711 B6R0.6 CSCC=CCN 1P024URW [1,1,0,0,0,0|1,0,1]=4 712 B6R0.6 CSCCCC=O 1P00D7TQ [1,1,0,0,0,0|0,0,2]=4 713 B6R0.6 C\C=C\C=C\CN 1P01DWZV [1,1,0,0,0,0|1,0,1]=4 714 B6R0.6 C\C=C\C=C\CO 1P003CHO [1,1,0,0,0,0|0,0,2]=4 715 B6R0.6 C\C=C\CCCI 1P028HXK [1,1,0,0,0,0|1,0,1]=4 716 B6R0.6 C\C=C\CCCN 1P023ZOR [1,1,0,0,0,0|1,0,1]=4 717 B6R0.6 C\C=C\CCCO 1P003LXM [1,1,0,0,0,0|1,0,1]=4 718 B6R0.6 ClCCCCC=O 1P002DET [1,1,0,0,0,0|0,0,2]=4 719 B6R0.6 OCCCCC=O 1P003A4R [1,1,0,0,0,0|0,0,2]=4 720 B6R0.6 OCCCNC=O 1P01I7G6 [1,1,0,0,0,0|1,0,1]=4 721 B6R0.6 OCC\C=C/CC 1P00377Y [1,1,0,0,0,0|0,0,2]=4 722 B6R0.6 OCC\C=C\C=C 1P005YFP [1,1,0,0,0,0|1,0,0]=3 723 B6R0.6 OCC\C=C\CC 1P003VE0 [1,1,0,0,0,0|0,0,2]=4 724 B6R0.6 [O-]C\C=C\C=C\C 1P006TR9 [1,1,0,0,0,0|0,0,2]=4 725 B8R0.2 COC(=O)C(=O)C(C)C 1P003S9M [0,2,0,0,0,0|2,0,0]=4 726 B8R0.5 CC(OC(=O)N=C=O)C 1P0289ZV [0,2,0,0,0,0|1,0,1]=4 727 B8R0.5 C\C=C\C(=O)OC(C)C 1P003PJM [0,2,0,0,0,0|1,0,0]=3 728 B8R0.5 I\C=C/C(=O)OC(C)C 1P00IMG2 [0,2,0,0,0,0|1,0,0]=3 729 B8R0.16 COC(CC(C)C)C=O 1P01C3XJ [0,2,0,0,0,0|0,0,2]=4 730 B8R0.16 CO\C(=C\N(C)C)\C=O 1P0071LJ [0,2,0,0,0,0|1,0,0]=3 731 B8R0.16 O=CC(C#N)CC(C)C 1P01B6WL [0,2,0,0,0,0|0,0,2]=4 732 B8R0.19 CC(CC)CC(=C)C=O 1P028ONP [0,2,0,0,0,0|0,0,1]=3 733 B8R0.23 BrC(C(=O)O)CC(C)C 1P003A9V [0,2,0,0,0,0|0,0,2]=4 734 B8R0.23 Br[C@@H](C(=O)O)CC(C)C 1P01DJ3Z [0,2,0,0,0,0|0,0,2]=4 735 B8R0.23 Br[C@H](C(=O)O)CC(C)C 1P00C23F [0,2,0,0,0,0|0,0,2]=4 736 B8R0.23 CC(=O)C=C(N(C)C)C 1P003AUS [0,2,0,0,0,0|1,0,0]=3 737 B8R0.23 CC(=O)CC(=O)C(C)C 1P00FDL6 [0,2,0,0,0,0|0,0,1]=3 738 B8R0.23 CC(=O)CC(=O)N(C)C 1P0029Y4 [0,2,0,0,0,0|1,0,1]=4 739 B8R0.23 CC(=O)CN(C(C)C)C 1P00J2BX [0,2,0,0,0,0|1,0,1]=4 740 B8R0.23 CC(C(=CC(=O)O)C)C 1P01AFM1 [0,2,0,0,0,0|0,0,0]=2 741 B8R0.23 CC(C(=O)NC(=O)N)Cl 1P00BOL0 [0,2,0,0,0,0|2,0,0]=4 742 B8R0.23 CC(C(=O)NC(=O)N)O 1P003WX7 [0,2,0,0,0,0|2,0,0]=4 743 B8R0.23 CC(C(=O)NC(=S)N)C 1P01JXZO [0,2,0,0,0,0|1,1,0]=4 744 B8R0.23 CC(C(=O)O)CC(C)C 1P00EBFG [0,2,0,0,0,0|0,0,2]=4 745 B8R0.23 CC(C(=O)O)NC(C)C 1P019VK1 [0,2,0,0,0,0|1,0,1]=4 746 B8R0.23 CC(C(=O)O)OC(C)C 1P005FR1 [0,2,0,0,0,0|1,0,1]=4 747 B8R0.23 CC(C(=O)O)SC(C)C 1P019NSY [0,2,0,0,0,0|1,0,1]=4 748 B8R0.23 CC(C(C)C)CC(=O)O 1P00C0MG [0,2,0,0,0,0|0,0,2]=4 749 B8R0.23 CC(CC(=C)C(=O)C)C 1P008UR2 [0,2,0,0,0,0|0,0,1]=3 750 B8R0.23 CC(CC(=C)C(=O)O)C 1P002QQ0 [0,2,0,0,0,0|0,0,1]=3 751 B8R0.23 CC(CC(=O)C(=O)O)C 1P003M6Z [0,2,0,0,0,0|0,0,1]=3 752 B8R0.23 CC(CC(=O)C(=O)[O-])C 1P00361Y [0,2,0,0,0,0|0,0,1]=3 753 B8R0.23 CC(CC(=O)C(=O)[O-])C 1P003P44 [0,2,0,0,0,0|0,0,1]=3 754 B8R0.23 CC(CC(C(=O)C)C)C 1P01E7KG [0,2,0,0,0,0|0,0,2]=4 755 B8R0.23 CC(CN(C(=O)Cl)C)C 1P01BI26 [0,2,0,0,0,0|1,0,1]=4 756 B8R0.23 CC(N(CC(=O)O)C)C 1P008VQP [0,2,0,0,0,0|1,0,1]=4 757 B8R0.23 CC(N(CC(=O)O)C)C 1P019X3X [0,2,0,0,0,0|1,0,1]=4 758 B8R0.23 CC(NC(=O)C(=C)C)C 1P0013TT [0,2,0,0,0,0|2,0,0]=4 759 B8R0.23 CC(NC(=O)C(=O)O)C 1P002YCH [0,2,0,0,0,0|1,0,0]=3 760 B8R0.23 CC(OC(=O)C(=C)C)C 1P003RLP [0,2,0,0,0,0|2,0,0]=4 761 B8R0.23 CC(OC(=O)C(=O)C)C 1P0068GB [0,2,0,0,0,0|1,0,0]=3 762 B8R0.23 CC(OC(=O)C(=O)O)C 1P028FMD [0,2,0,0,0,0|1,0,0]=3 763 B8R0.23 CN(C(=N)NC(=O)N)C 1P01EGJK [0,2,0,0,0,0|2,0,0]=4 764 B8R0.23 CN(C(=O)CC(=O)O)C 1P019SXG [0,2,0,0,0,0|1,0,1]=4 765 B8R0.23 CN(CC(=C)C(=O)O)C 1P00DDT5 [0,2,0,0,0,0|1,0,1]=4 766 B8R0.23 Cl[C@H](C(=O)O)CC(C)C 1P002WHA [0,2,0,0,0,0|0,0,2]=4 767 B8R0.23 FC(C(=O)O)CC(C)C 1P01DWZS [0,2,0,0,0,0|0,0,2]=4 768 B8R0.23 FC(\C(=C\C(=O)O)\C)F 1P028MZA [0,2,0,0,0,0|2,0,0]=4 769 B8R0.23 NC(C(=O)N)CC(C)C 1P000VF5 [0,2,0,0,0,0|0,0,2]=4 770 B8R0.23 NC(C(=O)N)CC(C)C 1P007HDG [0,2,0,0,0,0|0,0,2]=4 771 B8R0.23 NC(C(=O)O)CC(C)C 1P003QAO [0,2,0,0,0,0|0,0,2]=4 772 B8R0.23 NC(C(C)C)CC(=O)O 1P00382D [0,2,0,0,0,0|0,0,2]=4 773 B8R0.23 NC(C(C)C)CC(=O)O 1P00IWGX [0,2,0,0,0,0|0,0,2]=4 774 B8R0.23 N[C@@H](C(=O)N)CC(C)C 1P001RHC [0,2,0,0,0,0|0,0,2]=4 775 B8R0.23 N[C@@H](C(=O)N)CC(C)C 1P00G3EY [0,2,0,0,0,0|0,0,2]=4 776 B8R0.23 N[C@@H](C(=O)O)CC(C)C 1P007J6D [0,2,0,0,0,0|0,0,2]=4 777 B8R0.23 N[C@@H](C(C)C)CC(=O)O 1P006Z1W [0,2,0,0,0,0|0,0,2]=4 778 B8R0.23 N[C@@H](C(C)C)CC(=O)O 1P00G3E9 [0,2,0,0,0,0|0,0,2]=4 779 B8R0.23 N[C@H](C(=O)N)CC(C)C 1P003RT5 [0,2,0,0,0,0|0,0,2]=4 780 B8R0.23 N[C@H](C(=O)N)CC(C)C 1P006HSO [0,2,0,0,0,0|0,0,2]=4 781 B8R0.23 N[C@H](C(=O)O)CC(C)C 1P00F3FK [0,2,0,0,0,0|0,0,2]=4 782 B8R0.23 N[C@H](C(C)C)CC(=O)O 1P00C07B [0,2,0,0,0,0|0,0,2]=4 783 B8R0.23 N[C@H](C(C)C)CC(=O)O 1P00C7Q3 [0,2,0,0,0,0|0,0,2]=4 784 B8R0.23 OC(=O)CC(=C(C)C)C 1P00B50T [0,2,0,0,0,0|0,0,2]=4 785 B8R0.23 OC(C(=O)O)CC(C)C 1P003HV8 [0,2,0,0,0,0|0,0,2]=4 786 B8R0.23 O[C@@H](C(=O)O)CC(C)C 1P00295B [0,2,0,0,0,0|0,0,2]=4 787 B8R0.23 O[C@@H](C(C)C)CC(=O)O 1P005E7Z [0,2,0,0,0,0|0,0,2]=4 788 B8R0.23 O[C@H](C(=O)O)CC(C)C 1P0013SV [0,2,0,0,0,0|0,0,2]=4 789 B8R0.23 O[C@H](C(C)C)CC(=O)O 1P01AG46 [0,2,0,0,0,0|0,0,2]=4 790 B8R0.23 [15NH2][C@H](C(=O)O)CC(C)C 1P00EE4Y [0,2,0,0,0,0|0,0,2]=4 791 B8R0.24 C=CC(=O)NC(C)(C)C 1P003TTU [0,2,0,0,0,0|2,0,0]=4 792 B8R0.24 C=CC(=O)OC(C)(C)C 1P00ASVA [0,2,0,0,0,0|2,0,0]=4 793 B8R0.24 CCC(=CC(C)(C)C)C 1P0283VZ [0,2,0,0,0,0|1,0,1]=4 794 B8R0.24 O=CC(CC(C)(C)C)C 1P001ZXY [0,2,0,0,0,0|0,0,2]=4 795 B8R0.34 O=CC(CC(C)C)(C)C 1P018KEC [0,2,0,0,0,0|0,0,2]=4 796 B8R0.34 O=CC(OC(C)C)(C)C 1P0289RG [0,2,0,0,0,0|1,0,1]=4 797 B8R0.1 CCOC(=O)\C=C\C=O 1P002ZBY [0,2,0,0,0,0|1,0,1]=4 798 B8R0.3 CC=CC(=O)C(CC)C 1P003NBQ [0,2,0,0,0,0|1,0,0]=3 799 B8R0.8 C=CCOC(=O)C(C)C 1P00APRF [0,2,0,0,0,0|1,0,1]=4 800 B8R0.8 CO\C=C\C(=O)C(C)C 1P028UZV [0,2,0,0,0,0|0,0,1]=3 801 B8R0.8 O=CCCC(=C)C(C)C 1P02810P [0,2,0,0,0,0|0,0,1]=3 802 B8R0.8 O=CCCC(=O)N(C)C 1P00BOGL [0,2,0,0,0,0|1,0,1]=4 803 B8R0.9 BrCC(=O)NCC(C)C 1P00661C [0,2,0,0,0,0|1,0,1]=4 804 B8R0.9 BrCC(=O)OCC(C)C 1P00EZN9 [0,2,0,0,0,0|1,0,1]=4 805 B8R0.9 C=CC(=O)CCC(C)C 1P028WMT [0,2,0,0,0,0|0,0,2]=4 806 B8R0.9 CC(CC)CCC(=O)O 1P001OZD [0,2,0,0,0,0|0,0,2]=4 807 B8R0.9 CC(CC)COC(=O)Cl 1P0029RF [0,2,0,0,0,0|1,0,1]=4 808 B8R0.9 CC(CN)CCC(=O)O 1P01A3KI [0,2,0,0,0,0|0,0,2]=4 809 B8R0.9 CC(CN)CNC(=O)C 1P009FP3 [0,2,0,0,0,0|1,0,1]=4 810 B8R0.9 CC(NCC(=O)O)CC 1P019UYV [0,2,0,0,0,0|1,0,1]=4 811 B8R0.9 CC(OC)CCC(=O)O 1P01A6MQ [0,2,0,0,0,0|0,0,2]=4 812 B8R0.9 CC(OCC(=O)O)CC 1P01A2G6 [0,2,0,0,0,0|1,0,1]=4 813 B8R0.9 CC(ONC(=O)C#C)C 1P02909P [0,2,0,0,0,0|2,0,0]=4 814 B8R0.9 CC(SC)CCC(=O)O 1P01A4ZX [0,2,0,0,0,0|0,0,2]=4 815 B8R0.9 CC(\C=C\C(=O)O)CC 1P01HUR0 [0,2,0,0,0,0|0,0,0]=2 816 B8R0.9 CCC(=O)NCC(C)C 1P00EKOT [0,2,0,0,0,0|1,0,1]=4 817 B8R0.9 CCC(CCC(=O)C)C 1P0023WR [0,2,0,0,0,0|0,0,2]=4 818 B8R0.9 CCC(COC(=O)C)C 1P003I5L [0,2,0,0,0,0|1,0,1]=4 819 B8R0.9 CNC(=O)\C=C/C(=O)O 1P003TOL [0,2,0,0,0,0|1,0,1]=4 820 B8R0.9 COC(=O)C=CC(=O)C 1P00BDS4 [0,2,0,0,0,0|1,0,1]=4 821 B8R0.9 COC(=O)C=CC(N)C 1P01FIJP [0,2,0,0,0,0|1,0,0]=3 822 B8R0.9 COC(=O)C=CN(C)C 1P00IKTF [0,2,0,0,0,0|1,0,0]=3 823 B8R0.9 COC(=O)CNC(C)C 1P019NPT [0,2,0,0,0,0|1,0,1]=4 824 B8R0.9 COC(=O)COC(C)C 1P00254F [0,2,0,0,0,0|1,0,1]=4 825 B8R0.9 COC(=O)\C=C/C(=O)O 1P0030VV [0,2,0,0,0,0|1,0,1]=4 826 B8R0.9 COC(=O)\C=C\C(=O)O 1P002UJ4 [0,2,0,0,0,0|1,0,1]=4 827 B8R0.9 COC(=O)\C=C\C(C)C 1P002ACV [0,2,0,0,0,0|0,0,0]=2 828 B8R0.9 COC(=O)\C=C\N(C)C 1P002J1R [0,2,0,0,0,0|1,0,0]=3 829 B8R0.9 COC(COC(=O)C)C 1P00FERJ [0,2,0,0,0,0|1,0,1]=4 830 B8R0.9 C\C(=C/CC(=O)O)\CC 1P00DKVF [0,2,0,0,0,0|0,0,2]=4 831 B8R0.9 ClCC(=O)CCC(C)C 1P00BIFO [0,2,0,0,0,0|0,0,2]=4 832 B8R0.9 ClCC(=O)COC(C)C 1P01IFX6 [0,2,0,0,0,0|1,0,1]=4 833 B8R0.9 ClCC(=O)NCC(C)C 1P00CRQA [0,2,0,0,0,0|1,0,1]=4 834 B8R0.9 NCC(=O)NCC(C)C 1P00AUNE [0,2,0,0,0,0|1,0,1]=4 835 B8R0.9 NNC(=O)NCC(C)C 1P019YAQ [0,2,0,0,0,0|1,0,1]=4 836 B8R0.9 O=CC(CCC(C)C)C 1P027U8A [0,2,0,0,0,0|0,0,2]=4 837 B8R0.9 O=C\C(=C\OC(C)C)\Br 1P019GMI [0,2,0,0,0,0|0,0,0]=2 838 B8R0.9 ONC(=O)CCC(C)C 1P01AAXS [0,2,0,0,0,0|0,0,2]=4 839 B8R0.9 [O-]C(=O)CCC(CO)C 1P0290FV [0,2,0,0,0,0|0,0,2]=4 840 B8R0.11 COC(C#CC=O)OC 1P028V77 [0,2,0,0,0,0|0,0,2]=4 841 B8R0.11 COC=CC(OC)OC 1P0021ML [0,2,0,0,0,0|2,0,0]=4 842 B8R0.11 OC\C=C\C(OC)OC 1P018IHV [0,2,0,0,0,0|0,0,2]=4 843 B8R0.25 COC(CNC=O)(C)C 1P0094FP [0,2,0,0,0,0|1,0,1]=4 844 B8R0.7 CCC=CC=CC(O)C 1P005K3K [0,2,0,0,0,0|2,0,0]=4 845 B8R0.7 OCCC\C=C\C(C)C 1P028X40 [0,2,0,0,0,0|0,0,2]=4 846 B8R0.21 ClCC=CCC(C)(C)C 1P01JYP6 [0,2,0,0,0,0|1,0,1]=4 847 B8R0.21 O=COCCC(S)(C)C 1P003K31 [0,2,0,0,0,0|0,0,2]=4 848 B8R0.28 CC(=C\C=C\C(=O)C)C 1P003NR1 [0,2,0,0,0,0|0,0,1]=3 849 B8R0.28 CC(=O)CCC=C(C)C 1P003NR6 [0,2,0,0,0,0|0,0,2]=4 850 B8R0.28 CC(=O)OCC=C(C)C 1P000INH [0,2,0,0,0,0|0,0,2]=4 851 B8R0.28 CC(CCCC(=O)C)C 1P003NRC [0,2,0,0,0,0|0,0,2]=4 852 B8R0.28 CC(CCNC(=O)C)C 1P0038AX [0,2,0,0,0,0|0,0,2]=4 853 B8R0.28 CC(CCNC(=O)N)C 1P00EZOW [0,2,0,0,0,0|0,0,2]=4 854 B8R0.28 CC(CCOC(=O)C)C 1P000KEB [0,2,0,0,0,0|0,0,2]=4 855 B8R0.28 CC(CCOC(=O)Cl)C 1P00EM5G [0,2,0,0,0,0|0,0,2]=4 856 B8R0.28 CC(CNC=C(C)C)C 1P01C4AK [0,2,0,0,0,0|1,0,1]=4 857 B8R0.28 CC(CNCC(=O)C)C 1P01C40Z [0,2,0,0,0,0|0,0,2]=4 858 B8R0.28 CC(CNCC(=O)N)C 1P019LYO [0,2,0,0,0,0|0,0,2]=4 859 B8R0.28 CC(CNCC(=O)O)C 1P007IVW [0,2,0,0,0,0|0,0,2]=4 860 B8R0.28 CC(CNCC(=O)O)C 1P01AAQB [0,2,0,0,0,0|0,0,2]=4 861 B8R0.28 CC(CSCC(=O)C)C 1P01AH6M [0,2,0,0,0,0|0,0,2]=4 862 B8R0.28 CC(CSCC(=O)O)C 1P00BWG5 [0,2,0,0,0,0|0,0,2]=4 863 B8R0.28 CC(NCCC(=O)N)C 1P002DMJ [0,2,0,0,0,0|0,0,2]=4 864 B8R0.28 CC(NCCC(=O)O)C 1P00I55W [0,2,0,0,0,0|0,0,2]=4 865 B8R0.28 CC(OCCC(=O)Cl)C 1P01B23N [0,2,0,0,0,0|0,0,2]=4 866 B8R0.28 CC(OCCC(=O)O)C 1P019MSC [0,2,0,0,0,0|0,0,2]=4 867 B8R0.28 CC(\C=C\CC(=O)O)C 1P01IP9Q [0,2,0,0,0,0|0,0,0]=2 868 B8R0.28 CN(CC=CC(=O)O)C 1P003KOC [0,2,0,0,0,0|1,0,0]=3 869 B8R0.28 CN(C\C=C/C(=O)[O-])C 1P023U1C [0,2,0,0,0,0|1,0,0]=3 870 B8R0.28 CN(C\C=C\C(=O)O)C 1P001MAY [0,2,0,0,0,0|1,0,0]=3 871 B8R0.28 CN(C\C=C\C(=O)O)C 1P0036C7 [0,2,0,0,0,0|1,0,0]=3 872 B8R0.28 CN(\C=C\C=[N+](C)C)C 1P002HTV [0,2,0,0,0,0|2,0,0]=4 873 B8R0.28 OC(=O)CCC=C(C)C 1P00EDMO [0,2,0,0,0,0|0,0,2]=4 874 B8R0.14 C=COC(=O)C(C)(C)C 1P003VRW [0,2,0,0,0,0|2,0,0]=4 875 B8R0.14 N#C\C=C(/C(C)(C)C)\Cl 1P00BE64 [0,2,0,0,0,0|1,0,1]=4 876 B8R0.14 O=C=NC(=O)C(C)(C)C 1P01A8HK [0,2,0,0,0,0|1,0,1]=4 877 B8R0.14 O=CCC(C(C)(C)C)C 1P01HJ5Z [0,2,0,0,0,0|0,0,2]=4 878 B8R0.29 CC(=CCC(C)(C)C)C 1P0039LQ [0,2,0,0,0,0|1,0,1]=4 879 B8R0.29 CC(=O)CCC(C)(C)C 1P007L85 [0,2,0,0,0,0|0,0,2]=4 880 B8R0.29 CC(=O)CCC(O)(C)C 1P00743F [0,2,0,0,0,0|0,0,2]=4 881 B8R0.29 CC(=O)COC(C)(C)C 1P01HOW4 [0,2,0,0,0,0|1,0,1]=4 882 B8R0.29 CC(=O)CSC(C)(C)C 1P01ABIT [0,2,0,0,0,0|1,0,1]=4 883 B8R0.29 CC(=O)NCC(O)(C)C 1P01BBLR [0,2,0,0,0,0|1,0,1]=4 884 B8R0.29 CC(=O)ONC(C)(C)C 1P003TW7 [0,2,0,0,0,0|2,0,0]=4 885 B8R0.29 CC(=O)SCC(C)(C)C 1P01BGOZ [0,2,0,0,0,0|1,0,1]=4 886 B8R0.29 CC(=O)\C=C\C(F)(F)F 1P009SI0 [0,2,0,0,0,0|2,0,0]=4 887 B8R0.29 ClC(=O)COC(C)(C)C 1P01BARD [0,2,0,0,0,0|1,0,1]=4 888 B8R0.29 ClC(=O)OCC(C)(C)C 1P0029RG [0,2,0,0,0,0|1,0,1]=4 889 B8R0.29 ClC(=O)\C=C\C(F)(F)F 1P000GQR [0,2,0,0,0,0|2,0,0]=4 890 B8R0.29 NC(=O)CNC(C)(C)C 1P019ZGZ [0,2,0,0,0,0|1,0,1]=4 891 B8R0.29 NC(=O)NCC(C)(C)C 1P019U5E [0,2,0,0,0,0|1,0,1]=4 892 B8R0.29 NC(=O)NCC(N)(C)C 1P000HSP [0,2,0,0,0,0|1,0,1]=4 893 B8R0.29 OB(\C=C\C(C)(C)C)O 1P004UHT [0,2,0,0,0,0|1,0,1]=4 894 B8R0.29 OC(=O)C#CC(C)(C)C 1P00E2YJ [0,2,0,0,0,0|0,0,2]=4 895 B8R0.29 OC(=O)C#CC(N)(C)C 1P028WK2 [0,2,0,0,0,0|0,0,2]=4 896 B8R0.29 OC(=O)C#CC(O)(C)C 1P006XSJ [0,2,0,0,0,0|0,0,2]=4 897 B8R0.29 OC(=O)C=CS(=O)(=O)C 1P01A5NL [0,2,0,0,0,0|2,0,0]=4 898 B8R0.29 OC(=O)CCC(C)(C)C 1P008SUK [0,2,0,0,0,0|0,0,2]=4 899 B8R0.29 OC(=O)CCC(F)(C)C 1P028N2G [0,2,0,0,0,0|0,0,2]=4 900 B8R0.29 OC(=O)CCC(N)(C)C 1P00J22H [0,2,0,0,0,0|0,0,2]=4 901 B8R0.29 OC(=O)CCC(S)(C)C 1P009D4O [0,2,0,0,0,0|0,0,2]=4 902 B8R0.29 OC(=O)CNC(C)(C)C 1P003TTH [0,2,0,0,0,0|1,0,1]=4 903 B8R0.29 OC(=O)CNC(C)(C)C 1P00E9LM [0,2,0,0,0,0|1,0,1]=4 904 B8R0.29 OC(=O)COC(C)(C)C 1P0010OW [0,2,0,0,0,0|1,0,1]=4 905 B8R0.29 OC(=O)CSC(C)(C)C 1P00BFTV [0,2,0,0,0,0|1,0,1]=4 906 B8R0.29 OC(=O)\C=C\C(C)(C)C 1P001XCT [0,2,0,0,0,0|0,0,0]=2 907 B8R0.29 OC(=O)\C=C\C(F)(F)F 1P00ICL8 [0,2,0,0,0,0|2,0,0]=4 908 B8R0.29 [O-]C(=O)C#CC(F)(C)C 1P027V1L [0,2,0,0,0,0|0,0,2]=4 909 B8R0.29 [O-]C(=O)CCC(O)(C)C 1P01ADH8 [0,2,0,0,0,0|0,0,2]=4 910 B8R0.29 [O-][N+](=O)C=CC(C)(C)C 1P00B0MF [0,2,0,0,0,0|1,0,0]=3 911 B6R1.2 BrC1CC=CC1 1P00268S [1,0,0,1,0,0|1,0,1]=4 912 B6R1.2 CC1CC=NN1 1P001PGZ [1,0,0,1,0,0|2,0,0]=4 913 B6R1.2 CC1CNC=N1 1P007FYO [1,0,0,1,0,0|2,0,0]=4 914 B6R1.2 CN1CC=CC1 1P00384O [1,0,0,1,0,0|1,0,1]=4 915 B6R1.2 C[C-]1C=CC=C1 1P000ZBQ [1,0,0,1,0,0|0,0,2]=4 916 B6R1.2 Cc1ccc[nH]1 1P0036CQ [1,0,0,1,0,0|1,0,1]=4 917 B6R1.2 Cc1ccco1 1P003I5W [1,0,0,1,0,0|1,0,1]=4 918 B6R1.2 ClC1CCC=C1 1P00687X [1,0,0,1,0,0|1,0,1]=4 919 B6R1.2 Cn1cccc1 1P003TMI [1,0,0,1,0,0|1,0,1]=4 920 B6R1.2 Cn1cccn1 1P003EXX [1,0,0,1,0,0|2,0,0]=4 921 B6R1.2 NC1CC=CC1 1P003A3K [1,0,0,1,0,0|1,0,1]=4 922 B6R1.2 NC1CCC=C1 1P00J3BD [1,0,0,1,0,0|1,0,1]=4 923 B6R1.2 N[C@@H]1CCC=C1 1P028TVE [1,0,0,1,0,0|1,0,1]=4 924 B6R1.2 N[C@H]1CCC=C1 1P028U0L [1,0,0,1,0,0|1,0,1]=4 925 B6R1.2 OC1CC=CC1 1P00354I [1,0,0,1,0,0|1,0,1]=4 926 B6R1.2 OC1CCC=C1 1P00C75L [1,0,0,1,0,0|1,0,1]=4 927 B6R1.2 O[C@@H]1CCC=C1 1P028ADY [1,0,0,1,0,0|1,0,1]=4 928 B6R1.2 O[C@H]1CCC=C1 1P01GV1K [1,0,0,1,0,0|1,0,1]=4 929 B6R1.2 [Fe]C1=CC=CC1 1P003PMR [1,0,0,1,0,0|1,0,1]=4 930 B6R1.2 [Li]C1C=CC=C1 1P001XS4 [1,0,0,1,0,0|1,0,1]=4 931 B6R1.2 [Mn]C1=CC=CC1 1P003PMS [1,0,0,1,0,0|1,0,1]=4 932 B6R1.2 [Tl]C1=CC=CC1 1P00C19M [1,0,0,1,0,0|1,0,1]=4 933 B6R1.3 O=C=NC1CC1 1P00396I [1,0,0,1,0,0|1,0,1]=4 934 B6R1.3 O=CCC1CC1 1P00DIEP [1,0,0,1,0,0|0,0,1]=3 935 B6R1.3 O=CNC1CC1 1P00EBZW [1,0,0,1,0,0|1,0,0]=3 936 B6R1.5 BrC1CC(=C)C1 1P00DHX9 [1,0,0,1,0,0|1,0,1]=4 937 B6R1.5 BrC1CC(=O)C1 1P003AKZ [1,0,0,1,0,0|1,0,1]=4 938 B6R1.5 CC1CC(=O)C1 1P000PMX [1,0,0,1,0,0|0,0,1]=3 939 B6R1.5 CC1CC(=O)O1 1P00319M [1,0,0,1,0,0|1,0,0]=3 940 B6R1.5 CN1CC(=O)C1 1P0023MN [1,0,0,1,0,0|1,0,1]=4 941 B6R1.5 C[C@@H]1CC(=O)N1 1P028IFA [1,0,0,1,0,0|1,0,0]=3 942 B6R1.5 C[C@H]1CC(=O)N1 1P007L72 [1,0,0,1,0,0|1,0,0]=3 943 B6R1.5 FC1CC(=O)C1 1P00HWHO [1,0,0,1,0,0|1,0,1]=4 944 B6R1.5 NC1CC(=C)C1 1P01FZJT [1,0,0,1,0,0|1,0,1]=4 945 B6R1.5 NC1CC(=O)C1 1P007XUV [1,0,0,1,0,0|1,0,1]=4 946 B6R1.5 OC1CC(=O)C1 1P0039UW [1,0,0,1,0,0|1,0,1]=4 947 B6R1.8 CC1CC1C=O 1P01A01X [1,0,0,1,0,0|0,0,1]=3 948 B6R1.8 C[C@H]1C[C@H]1C=O 1P001C59 [1,0,0,1,0,0|0,0,1]=3 949 B6R1.8 ClC1CC1C=O 1P01B7PB [1,0,0,1,0,0|1,0,1]=4 950 B6R1.1 C1CC=CC=C1 1P00E9LK [1,0,0,1,0,0|1,0,0]=3 951 B6R1.1 C1CCC=CC1 1P00354A [1,0,0,1,0,0|1,0,1]=4 952 B6R1.1 C1COC=CC1 1P0036I0 [1,0,0,1,0,0|0,0,2]=4 953 B6R1.1 C1COC=CO1 1P003E5P [1,0,0,1,0,0|1,0,1]=4 954 B6R1.1 N1CCC=CC1 1P003DR7 [1,0,0,1,0,0|1,0,1]=4 955 B6R1.1 O1CCC=CC1 1P0038JG [1,0,0,1,0,0|0,0,2]=4 956 B6R1.1 S1CCC=CC1 1P00CVCQ [1,0,0,1,0,0|0,1,1]=4 957 B6R1.4 CC1CNC1=O 1P01DXX0 [1,0,0,1,0,0|1,0,1]=4 958 B6R1.4 CC1OCC1=O 1P00IL5Y [1,0,0,1,0,0|1,0,1]=4 959 B6R1.4 O=C1CCC1C 1P00B4N2 [1,0,0,1,0,0|0,0,2]=4 960 B6R1.6 BrC=C1CCC1 1P002F2P [1,0,0,1,0,0|1,0,1]=4 961 B6R1.6 O=CC1CCC1 1P0036NJ [1,0,0,1,0,0|0,0,2]=4 962 B6R1.6 OCC1=CCC1 1P0281EC [1,0,0,1,0,0|0,0,2]=4 963 B8R1.1 BrCC1CCC(=O)C1 1P027TUY [0,1,0,1,0,0|0,0,2]=4 964 B8R1.1 BrCC1CNC(=O)C1 1P0198QJ [0,1,0,1,0,0|1,0,1]=4 965 B8R1.1 BrCC1COC(=O)C1 1P028EBM [0,1,0,1,0,0|1,0,1]=4 966 B8R1.1 CC1CC(=NO1)C=O 1P028LLX [0,1,0,1,0,0|1,0,0]=3 967 B8R1.1 CCC1CC(=O)CO1 1P01B68Q [0,1,0,1,0,0|1,0,1]=4 968 B8R1.1 CCC1CCC(=O)C1 1P0008HE [0,1,0,1,0,0|0,0,2]=4 969 B8R1.1 CCC1CNC(=O)C1 1P0075T3 [0,1,0,1,0,0|1,0,1]=4 970 B8R1.1 CCC1COC(=O)C1 1P01QNJA [0,1,0,1,0,0|1,0,1]=4 971 B8R1.1 CNC1CNC(=O)C1 1P018SPE [0,1,0,1,0,0|1,0,1]=4 972 B8R1.1 CN[C@H]1CNC(=O)C1 1P01XHI8 [0,1,0,1,0,0|1,0,1]=4 973 B8R1.1 COC1CNC(=O)C1 1P01B1U7 [0,1,0,1,0,0|1,0,1]=4 974 B8R1.1 CSC1CCC(=O)C1 1P0290A2 [0,1,0,1,0,0|0,0,2]=4 975 B8R1.1 Cc1cc([nH]c1)C=O 1P006Y3A [0,1,0,1,0,0|0,0,2]=4 976 B8R1.1 Cc1cc(n[nH]1)C=O 1P0034RC [0,1,0,1,0,0|1,0,1]=4 977 B8R1.1 Cc1cc(no1)C=O 1P00391V [0,1,0,1,0,0|1,0,1]=4 978 B8R1.1 Cc1cc(oc1)C=O 1P00I6ZP [0,1,0,1,0,0|0,0,2]=4 979 B8R1.1 Cc1cc(on1)C=O 1P005H3Y [0,1,0,1,0,0|1,0,1]=4 980 B8R1.1 Cc1cc(sc1)C=O 1P003M9N [0,1,0,1,0,0|0,0,2]=4 981 B8R1.1 Cc1cc(sn1)C=O 1P00IFL4 [0,1,0,1,0,0|1,0,1]=4 982 B8R1.1 Cc1ccc([nH]1)C=O 1P000ISW [0,1,0,1,0,0|1,0,1]=4 983 B8R1.1 Cc1ccc(o1)C=O 1P003NCN [0,1,0,1,0,0|1,0,1]=4 984 B8R1.1 Cc1ccc(s1)C=O 1P0012UA [0,1,0,1,0,0|1,0,1]=4 985 B8R1.1 Cc1cnc([nH]1)C=O 1P000AAF [0,1,0,1,0,0|1,0,1]=4 986 B8R1.1 Cc1cnc(o1)C=O 1P00VVHM [0,1,0,1,0,0|1,0,1]=4 987 B8R1.1 Cc1cnc(s1)C=O 1P00196D [0,1,0,1,0,0|1,0,1]=4 988 B8R1.1 Cc1coc(n1)C=O 1P001QVU [0,1,0,1,0,0|1,0,1]=4 989 B8R1.1 Cc1csc(n1)C=O 1P0013UG [0,1,0,1,0,0|1,0,1]=4 990 B8R1.1 Cc1nc(co1)C=O 1P0009XK [0,1,0,1,0,0|1,0,1]=4 991 B8R1.1 Cc1nc(cs1)C=O 1P002KQ5 [0,1,0,1,0,0|1,0,1]=4 992 B8R1.1 Cc1ncc([nH]1)C=O 1P007GWA [0,1,0,1,0,0|1,0,1]=4 993 B8R1.1 Cc1ncc(s1)C=O 1P0001Z0 [0,1,0,1,0,0|1,0,1]=4 994 B8R1.1 Cn1cc(nc1)C=O 1P00AP1Y [0,1,0,1,0,0|1,0,1]=4 995 B8R1.1 Cn1cc(nn1)C=O 1P00B5Z3 [0,1,0,1,0,0|2,0,0]=4 996 B8R1.1 Cn1ccc(n1)C=O 1P0039B0 [0,1,0,1,0,0|2,0,0]=4 997 B8R1.1 Cn1nc(cn1)C=O 1P01AMEI [0,1,0,1,0,0|2,0,0]=4 998 B8R1.1 ICC1CNC(=O)C1 1P01C3B7 [0,1,0,1,0,0|1,0,1]=4 999 B8R1.1 NCC1CCC(=O)C1 1P0285ZW [0,1,0,1,0,0|0,0,2]=4 1000 B8R1.1 NCC1CNC(=O)C1 1P001CGK [0,1,0,1,0,0|1,0,1]=4 1001 B8R1.1 NCC1CNC(=O)C1 1P0064LK [0,1,0,1,0,0|1,0,1]=4 1002 B8R1.1 NCC1CNC(=O)C1 1P01DTQ3 [0,1,0,1,0,0|1,0,1]=4 1003 B8R1.1 NCC1COC(=O)C1 1P028UN9 [0,1,0,1,0,0|1,0,1]=4 1004 B8R1.1 NC[C@@H]1CNC(=O)C1 1P00HXCG [0,1,0,1,0,0|1,0,1]=4 1005 B8R1.1 N[C@@H]1C[C@@H](C=C1)CO 1P001YVW [0,1,0,1,0,0|1,0,1]=4 1006 B8R1.1 O=CC1COC(C1)C 1P027UGM [0,1,0,1,0,0|0,0,2]=4 1007 B8R1.1 O=Cc1ccn(c1)C 1P00CMF0 [0,1,0,1,0,0|1,0,1]=4 1008 B8R1.1 O=Cc1cnn(c1)C 1P002QO8 [0,1,0,1,0,0|1,0,1]=4 1009 B8R1.1 O=Cc1csc(c1)C 1P002YT8 [0,1,0,1,0,0|0,0,2]=4 1010 B8R1.1 O=Cc1ncn(n1)C 1P01C34D [0,1,0,1,0,0|2,0,0]=4 1011 B8R1.1 OCC1CC(=O)CO1 1P02010B [0,1,0,1,0,0|1,0,1]=4 1012 B8R1.1 OCC1CCC(=O)C1 1P01JUNL [0,1,0,1,0,0|0,0,2]=4 1013 B8R1.1 OCC1CNC(=O)C1 1P0034A5 [0,1,0,1,0,0|1,0,1]=4 1014 B8R1.1 OCC1COC(=O)C1 1P00I7Q5 [0,1,0,1,0,0|1,0,1]=4 1015 B8R1.1 OCC1OC(=O)C=C1 1P007GAQ [0,1,0,1,0,0|1,0,0]=3 1016 B8R1.1 OC[C@@H]1CNC(=O)C1 1P01BO9A [0,1,0,1,0,0|1,0,1]=4 1017 B8R1.1 OC[C@H]1CNC(=O)C1 1P0099ZX [0,1,0,1,0,0|1,0,1]=4 1018 B8R1.4 CC1=CN=NC(=O)C1 1P0096LQ [0,1,0,1,0,0|1,0,1]=4 1019 B8R1.4 CC1CC(=O)C=CC1 1P005K9T [0,1,0,1,0,0|0,0,0]=2 1020 B8R1.4 CC1CC(=O)C=CN1 1P01HWL9 [0,1,0,1,0,0|0,0,0]=2 1021 B8R1.4 CC1CCCC(=O)C1 1P003K7S [0,1,0,1,0,0|0,0,2]=4 1022 B8R1.4 CC1CCNC(=O)C1 1P003AHU [0,1,0,1,0,0|0,0,2]=4 1023 B8R1.4 CC1CCOC(=O)C1 1P00978J [0,1,0,1,0,0|0,0,2]=4 1024 B8R1.4 CC1CNCC(=C1)C 1P01BI0O [0,1,0,1,0,0|1,0,1]=4 1025 B8R1.4 CC1CNCC(=O)C1 1P01FJTW [0,1,0,1,0,0|0,0,2]=4 1026 B8R1.4 CC1NCCC(=O)C1 1P0013IP [0,1,0,1,0,0|0,0,2]=4 1027 B8R1.4 CC1NCCC(=O)C1 1P01EKA7 [0,1,0,1,0,0|0,0,2]=4 1028 B8R1.4 C[C@@H]1CC=CC(=O)O1 1P000IL2 [0,1,0,1,0,0|1,0,0]=3 1029 B8R1.4 C[C@@H]1CCCC(=O)C1 1P003CM9 [0,1,0,1,0,0|0,0,2]=4 1030 B8R1.4 C[C@@H]1NCCC(=O)C1 1P009YI7 [0,1,0,1,0,0|0,0,2]=4 1031 B8R1.4 C[C@@H]1NCCC(=O)C1 1P00IDGQ [0,1,0,1,0,0|0,0,2]=4 1032 B8R1.4 C[C@H]1CCCC(C1)=O 1P01KFQT [0,1,0,1,0,0|0,0,2]=4 1033 B8R1.4 C[C@H]1NCCC(=O)C1 1P00HXCI [0,1,0,1,0,0|0,0,2]=4 1034 B8R1.4 Cc1cccc(=O)[nH]1 1P00I6PQ [0,1,0,1,0,0|1,0,1]=4 1035 B8R1.4 Cc1cccc(=O)[nH]1 1P01A5YK [0,1,0,1,0,0|1,0,1]=4 1036 B8R1.4 Cc1ccnc(=O)[nH]1 1P0033T2 [0,1,0,1,0,0|1,0,1]=4 1037 B8R1.4 Cc1cncc(=O)[nH]1 1P002JD9 [0,1,0,1,0,0|1,0,1]=4 1038 B8R1.4 Cc1nccc(=O)[nH]1 1P002C6Y [0,1,0,1,0,0|1,0,1]=4 1039 B8R1.4 O=C1CCOC(C1)C 1P000J00 [0,1,0,1,0,0|0,0,2]=4 1040 B8R1.4 O=C1NC=CC(=O)C1 1P01KKXV [0,1,0,1,0,0|1,0,1]=4 1041 B8R1.4 O=C1OC=CC(=O)C1 1P0038JQ [0,1,0,1,0,0|1,0,1]=4 1042 B8R1.4 O=c1ccoc(c1)C 1P00F0CB [0,1,0,1,0,0|0,0,2]=4 1043 B8R1.18 CC1=CC(=O)C(O1)C 1P001J8M [0,1,0,1,0,0|2,0,0]=4 1044 B8R1.18 CC1CC(=O)N(C1)C 1P0039PD [0,1,0,1,0,0|1,0,1]=4 1045 B8R1.18 CC1OC(C(=O)C1)C 1P00ELV2 [0,1,0,1,0,0|1,0,1]=4 1046 B8R1.18 ClC1OC(=O)C(=C1)C 1P01JG5D [0,1,0,1,0,0|2,0,0]=4 1047 B8R1.18 Cn1c(Br)cc(=O)[nH]1 1P023Z9G [0,1,0,1,0,0|2,0,0]=4 1048 B8R1.18 Cn1c(N)cc(=O)[nH]1 1P00DNDS [0,1,0,1,0,0|2,0,0]=4 1049 B8R1.18 Cn1oc(=O)cc1N 1P007DD6 [0,1,0,1,0,0|2,0,0]=4 1050 B8R1.18 O=C1C=C(C(C1)C)C 1P0030KJ [0,1,0,1,0,0|0,0,0]=2 1051 B8R1.18 O=C1C=C(C(N1)O)C 1P01EMD7 [0,1,0,1,0,0|2,0,0]=4 1052 B8R1.18 O=C1C=C(C(O1)O)C 1P0037PL [0,1,0,1,0,0|2,0,0]=4 1053 B8R1.18 O=C1C=C(C(O1)O)Cl 1P01ENI6 [0,1,0,1,0,0|2,0,0]=4 1054 B8R1.18 O=C1CC(C(=O)N1)C 1P00D9M8 [0,1,0,1,0,0|1,0,0]=3 1055 B8R1.18 O=C1CC(C(=O)N1)N 1P01C7UN [0,1,0,1,0,0|2,0,0]=4 1056 B8R1.18 O=C1CC(C(=O)O1)C 1P003SL0 [0,1,0,1,0,0|1,0,0]=3 1057 B8R1.18 O=C1CC(C(=O)O1)N 1P00COUN [0,1,0,1,0,0|2,0,0]=4 1058 B8R1.18 O=C1CN(C(=O)C1)C 1P00CAXD [0,1,0,1,0,0|1,0,1]=4 1059 B8R1.18 O=C1CN(C(=O)N1)C 1P0037S9 [0,1,0,1,0,0|2,0,0]=4 1060 B8R1.18 O=C1CN(C(=O)O1)C 1P00EFNL [0,1,0,1,0,0|2,0,0]=4 1061 B8R1.18 O=C1CN(C(C1)C)C 1P01A0MF [0,1,0,1,0,0|1,0,1]=4 1062 B8R1.18 O=C1C[C@@H](C(=O)N1)N 1P005ZEX [0,1,0,1,0,0|2,0,0]=4 1063 B8R1.18 O=C1C[C@@H](C(=O)N1)N 1P028866 [0,1,0,1,0,0|2,0,0]=4 1064 B8R1.18 O=C1C[C@@H](C(=O)O1)C 1P01BW3S [0,1,0,1,0,0|1,0,0]=3 1065 B8R1.18 O=C1C[C@@H](C(=O)O1)N 1P00CLJ7 [0,1,0,1,0,0|2,0,0]=4 1066 B8R1.18 O=C1C[C@H](C(=O)N1)N 1P01LIZ9 [0,1,0,1,0,0|2,0,0]=4 1067 B8R1.18 O=C1C[C@H](C(=O)N1)N 1P029030 [0,1,0,1,0,0|2,0,0]=4 1068 B8R1.18 O=C1C[C@H](C(=O)O1)N 1P006VIY [0,1,0,1,0,0|2,0,0]=4 1069 B8R1.18 O=C1N=C(C(N1)C)N 1P01BAXV [0,1,0,1,0,0|2,0,0]=4 1070 B8R1.18 O=C1N=C(N(C1)C)N 1P002GA0 [0,1,0,1,0,0|2,0,0]=4 1071 B8R1.18 O=C1NC(=N)N(C1)C 1P003PJH [0,1,0,1,0,0|2,0,0]=4 1072 B8R1.18 O=C1NC(C(=O)N1)C 1P003NCS [0,1,0,1,0,0|2,0,0]=4 1073 B8R1.18 O=C1NC(C(C1)C)C 1P019TZT [0,1,0,1,0,0|1,0,1]=4 1074 B8R1.18 O=C1NN(C)C=C1Br 1P01KH05 [0,1,0,1,0,0|2,0,0]=4 1075 B8R1.18 O=C1N[C@@H](C(=O)O1)C 1P00DAN2 [0,1,0,1,0,0|2,0,0]=4 1076 B8R1.18 O=C1N[C@H](C(=O)O1)C 1P0032XZ [0,1,0,1,0,0|2,0,0]=4 1077 B8R1.18 O=C1OC(C(=O)N1)C 1P002V5Z [0,1,0,1,0,0|2,0,0]=4 1078 B8R1.18 O=c1[nH]n(c(c1)C)C 1P00CVUD [0,1,0,1,0,0|2,0,0]=4 1079 B8R1.18 O=c1[nH]n(c(c1)C)C 1P01FMB6 [0,1,0,1,0,0|2,0,0]=4 1080 B8R1.18 OC1OC(=O)C(=C1)C 1P01BXVO [0,1,0,1,0,0|2,0,0]=4 1081 B8R1.20 CC1CC1CC(=O)O 1P01BBI8 [0,1,0,1,0,0|0,0,2]=4 1082 B8R1.29 ON1CC(C1=O)(C)C 1P027YX9 [0,1,0,1,0,0|1,0,1]=4 1083 B8R1.31 CC(C1CCC1=O)C 1P01BACW [0,1,0,1,0,0|0,0,2]=4 1084 B8R1.40 C=CC(=O)CC1CC1 1P01DWD3 [0,1,0,1,0,0|1,0,1]=4 1085 B8R1.40 C=CC(=O)NC1CC1 1P005UGG [0,1,0,1,0,0|2,0,0]=4 1086 B8R1.40 O=CC(CC1CC1)C 1P028WGN [0,1,0,1,0,0|0,0,2]=4 1087 B8R1.40 O=CN(CC1CC1)C 1P01B9U4 [0,1,0,1,0,0|1,0,1]=4 1088 B8R1.51 BrC1C=CS(=O)(=O)C1 1P00DCN2 [0,1,0,1,0,0|2,0,0]=4 1089 B8R1.51 CC1(O)CC(=O)NC1 1P00D8NX [0,1,0,1,0,0|1,0,1]=4 1090 B8R1.51 ClC1C=CS(=O)(=O)C1 1P0071A4 [0,1,0,1,0,0|2,0,0]=4 1091 B8R1.51 NC1C=CS(=O)(=O)C1 1P00J3SC [0,1,0,1,0,0|2,0,0]=4 1092 B8R1.51 N[C@@H]1C=CS(=O)(=O)C1 1P0296U3 [0,1,0,1,0,0|2,0,0]=4 1093 B8R1.51 O=C1C=CC(C1)(C)C 1P003KWE [0,1,0,1,0,0|0,0,0]=2 1094 B8R1.51 O=C1C=CC(N1)(C)C 1P028UO3 [0,1,0,1,0,0|0,0,0]=2 1095 B8R1.51 O=C1C=CS(=O)(=O)C1 1P01BSOP [0,1,0,1,0,0|2,0,0]=4 1096 B8R1.51 O=C1CCC(C1)(C)C 1P002AAG [0,1,0,1,0,0|0,0,2]=4 1097 B8R1.51 O=C1CCC(N1)(C)C 1P0034MN [0,1,0,1,0,0|0,0,2]=4 1098 B8R1.51 O=C1CCC(O1)(C)C 1P007IPY [0,1,0,1,0,0|0,0,2]=4 1099 B8R1.51 O=C1CNC(C1)(C)C 1P01A3P4 [0,1,0,1,0,0|1,0,1]=4 1100 B8R1.51 O=C1CNC(N1)(C)C 1P021LC1 [0,1,0,1,0,0|1,0,1]=4 1101 B8R1.51 O=C1COC(C1)(C)C 1P0039TO [0,1,0,1,0,0|1,0,1]=4 1102 B8R1.51 O=C1COC(O1)(C)C 1P003FRW [0,1,0,1,0,0|1,0,1]=4 1103 B8R1.51 O=C1NCC(C1)(C)C 1P003KWL [0,1,0,1,0,0|1,0,1]=4 1104 B8R1.51 O=C1NCC(N1)(C)C 1P002P2W [0,1,0,1,0,0|1,0,1]=4 1105 B8R1.51 O=C1NCC(O1)(C)C 1P00HCTB [0,1,0,1,0,0|1,0,1]=4 1106 B8R1.51 O=C1NOC(C1)(C)C 1P01DX07 [0,1,0,1,0,0|2,0,0]=4 1107 B8R1.51 O=C1OCC(C1)(C)C 1P0019BQ [0,1,0,1,0,0|1,0,1]=4 1108 B8R1.51 O=C1OCC(N1)(C)C 1P003KWQ [0,1,0,1,0,0|1,0,1]=4 1109 B8R1.51 O=C1SCC(N1)(C)C 1P028YXF [0,1,0,1,0,0|1,0,1]=4 1110 B8R1.62 O=CC1(C)CC(C1)C 1P0287BG [0,1,0,1,0,0|0,0,2]=4 1111 B8R1.65 O=CC1(Br)CC1(C)C 1P027TO5 [0,1,0,1,0,0|0,0,2]=4 1112 B8R1.2 BrCC1CCC=CC1 1P007H2T [0,1,0,1,0,0|1,0,1]=4 1113 B8R1.2 BrCC1CCCC=C1 1P00CRYY [0,1,0,1,0,0|1,0,1]=4 1114 B8R1.2 BrCC1COCC=C1 1P027Y3P [0,1,0,1,0,0|0,0,2]=4 1115 B8R1.2 BrC[C@H]1CCC=CC1 1P01RFTO [0,1,0,1,0,0|1,0,1]=4 1116 B8R1.2 CCN1CC=CC=C1 1P004M7X [0,1,0,1,0,0|2,0,0]=4 1117 B8R1.2 COC1CCC=CO1 1P003IY5 [0,1,0,1,0,0|2,0,0]=4 1118 B8R1.2 COC1CCCC=C1 1P007MNU [0,1,0,1,0,0|1,0,1]=4 1119 B8R1.2 COC1CNCC=C1 1P028JE1 [0,1,0,1,0,0|1,0,1]=4 1120 B8R1.2 NCC1CCC=CC1 1P019WZP [0,1,0,1,0,0|1,0,1]=4 1121 B8R1.2 NCC1CCC=CO1 1P00DCZJ [0,1,0,1,0,0|2,0,0]=4 1122 B8R1.2 NCC1CCCC=C1 1P028O93 [0,1,0,1,0,0|1,0,1]=4 1123 B8R1.2 NCC1COCC=C1 1P027V96 [0,1,0,1,0,0|0,0,2]=4 1124 B8R1.2 NC[C@H]1CCC=CC1 1P027XAS [0,1,0,1,0,0|1,0,1]=4 1125 B8R1.2 OCC1CCC=CC1 1P003JTB [0,1,0,1,0,0|1,0,1]=4 1126 B8R1.2 OCC1CCC=CO1 1P003IY3 [0,1,0,1,0,0|2,0,0]=4 1127 B8R1.2 OCC1CCCC=C1 1P00CSSZ [0,1,0,1,0,0|1,0,1]=4 1128 B8R1.2 SCC1CCCC=C1 1P027TYN [0,1,0,1,0,0|1,0,1]=4 1129 B8R1.3 CC1=CCC(=O)CC1 1P00DEB0 [0,1,0,1,0,0|0,0,2]=4 1130 B8R1.3 CC1CCC(=CC1)Cl 1P00I6AA [0,1,0,1,0,0|1,0,1]=4 1131 B8R1.3 CC1CCC(=O)C=C1 1P00ILT7 [0,1,0,1,0,0|0,0,0]=2 1132 B8R1.3 CC1CCC(=O)CC1 1P0037LL [0,1,0,1,0,0|0,0,2]=4 1133 B8R1.3 CC1CCC(=O)CN1 1P01EK9J [0,1,0,1,0,0|0,0,2]=4 1134 B8R1.3 CC1CCC(=O)NC1 1P0039A4 [0,1,0,1,0,0|0,0,2]=4 1135 B8R1.3 CC1CCC(=O)OC1 1P01HF4J [0,1,0,1,0,0|0,0,2]=4 1136 B8R1.3 CC1CNC(=O)CN1 1P00ILNO [0,1,0,1,0,0|1,0,1]=4 1137 B8R1.3 C[C@@H]1CCC(=O)CN1 1P01JV25 [0,1,0,1,0,0|0,0,2]=4 1138 B8R1.3 C[C@@H]1CNC(=O)CN1 1P00IL8K [0,1,0,1,0,0|1,0,1]=4 1139 B8R1.3 C[C@@H]1CNC(=O)CN1 1P00J3DR [0,1,0,1,0,0|1,0,1]=4 1140 B8R1.3 C[C@H]1CCC(=O)CN1 1P01JVFW [0,1,0,1,0,0|0,0,2]=4 1141 B8R1.3 C[C@H]1CNC(=O)CN1 1P00HHZJ [0,1,0,1,0,0|1,0,1]=4 1142 B8R1.3 C[C@H]1CNC(=O)CN1 1P00J3EQ [0,1,0,1,0,0|1,0,1]=4 1143 B8R1.3 Cc1ccc(=O)[nH]c1 1P0001YV [0,1,0,1,0,0|0,0,2]=4 1144 B8R1.3 Cc1ccc(=O)[nH]n1 1P0014ZS [0,1,0,1,0,0|1,0,1]=4 1145 B8R1.3 Cc1ccc(=O)[nH]n1 1P003NRL [0,1,0,1,0,0|1,0,1]=4 1146 B8R1.3 Cc1ccc(=O)[nH]n1 1P0068H5 [0,1,0,1,0,0|1,0,1]=4 1147 B8R1.3 O=C1CCC(OC1)C 1P00DUSV [0,1,0,1,0,0|0,0,2]=4 1148 B8R1.3 O=C1CCC(SC1)C 1P00DV16 [0,1,0,1,0,0|0,0,2]=4 1149 B8R1.3 O=C1COC(C=C1)O 1P007CTC [0,1,0,1,0,0|1,0,0]=3 1150 B8R1.3 O=C1COC(CN1)C 1P000Y2L [0,1,0,1,0,0|1,0,1]=4 1151 B8R1.3 O=C1CO[C@@H](CN1)C 1P01B5ZE [0,1,0,1,0,0|1,0,1]=4 1152 B8R1.3 O=C1CO[C@H](CN1)C 1P01B5ZD [0,1,0,1,0,0|1,0,1]=4 1153 B8R1.5 Cc1cccc[n+]1C 1P008F0C [0,1,0,1,0,0|1,0,1]=4 1154 B8R1.5 Cc1ncccc1C 1P003G1A [0,1,0,1,0,0|1,0,1]=4 1155 B8R1.5 S=C1C=CN=CC1C 1P019DS7 [0,1,0,1,0,0|1,0,1]=4 1156 B8R1.10 BrC\C=C\C1CCC1 1P01EMEL [0,1,0,1,0,0|1,0,1]=4 1157 B8R1.10 C(C1CCO1)CC=O 1P01C3TU [0,1,0,1,0,0|0,0,2]=4 1158 B8R1.10 O=CCCC1CCC1 1P01BWRW [0,1,0,1,0,0|0,0,2]=4 1159 B8R1.41 O=CCCC1(C)CC1 1P01SNFJ [0,1,0,1,0,0|0,0,2]=4 1160 B8R1.47 CCC1CC(C1)C=O 1P028X8A [0,1,0,1,0,0|0,0,2]=4 1161 B8R1.47 COC1CC(C1)C=O 1P01BIEN [0,1,0,1,0,0|0,0,2]=4 1162 B8R1.50 CC1C(C)CNC1=O 1P01AV3O [0,1,0,1,0,0|1,0,1]=4 1163 B8R1.50 CC1C(C)OCC1=O 1P00H6YO [0,1,0,1,0,0|1,0,1]=4 1164 B8R1.50 CC1CCC(=O)N1C 1P00DCGW [0,1,0,1,0,0|0,0,2]=4 1165 B8R1.50 CC1COC(=O)C1N 1P028GSQ [0,1,0,1,0,0|1,0,1]=4 1166 B8R1.50 CC1COC(=O)C1O 1P028RX6 [0,1,0,1,0,0|1,0,1]=4 1167 B8R1.50 CN1C(=O)C=CC1=O 1P0035V5 [0,1,0,1,0,0|1,0,1]=4 1168 B8R1.50 CN1C(C)CNC1=O 1P01CA33 [0,1,0,1,0,0|1,0,1]=4 1169 B8R1.50 CN1C(C)COC1=O 1P0285GC [0,1,0,1,0,0|1,0,1]=4 1170 B8R1.50 C[C@H]1[C@H](C)CNC1=O 1P028A96 [0,1,0,1,0,0|1,0,1]=4 1171 B8R1.50 Cc1ccc(n1C)C 1P003BGF [0,1,0,1,0,0|1,0,1]=4 1172 B8R1.52 BrCC1(C)CC=CC1 1P028FMY [0,1,0,1,0,0|1,0,1]=4 1173 B8R1.52 CC1(CO)CCC=C1 1P01EMTT [0,1,0,1,0,0|1,0,1]=4 1174 B8R1.52 CC1(CO)NCC=C1 1P028VWY [0,1,0,1,0,0|1,0,1]=4 1175 B8R1.52 OCC1(C)CC=CC1 1P028Q9U [0,1,0,1,0,0|1,0,1]=4 1176 B8R1.58 CC1(CO)CCC1=O 1P0289LZ [0,1,0,1,0,0|0,0,2]=4 1177 B8R1.7 CC(C1=[C-]CC=C1)C 1P003VP2 [0,1,0,1,0,0|1,0,0]=3 1178 B8R1.7 CC(C1NCC=C1)C 1P008Q3G [0,1,0,1,0,0|1,0,1]=4 1179 B8R1.7 CC(N1CC=CC1)C 1P01EMD9 [0,1,0,1,0,0|1,0,1]=4 1180 B8R1.7 CC([C-]1C=CC=C1)O 1P000XSK [0,1,0,1,0,0|2,0,0]=4 1181 B8R1.7 CC(c1[nH]cnc1)N 1P01K4D3 [0,1,0,1,0,0|2,0,0]=4 1182 B8R1.7 CC(c1c[nH]cc1)N 1P01A4UJ [0,1,0,1,0,0|2,0,0]=4 1183 B8R1.7 CC(c1c[nH]nc1)C 1P0013YN [0,1,0,1,0,0|2,0,0]=4 1184 B8R1.7 CC(c1c[nH]nc1)C 1P00J2T0 [0,1,0,1,0,0|2,0,0]=4 1185 B8R1.7 CC(c1cc[nH]n1)C 1P003K2S [0,1,0,1,0,0|1,0,0]=3 1186 B8R1.7 CC(c1cc[nH]n1)N 1P0092LE [0,1,0,1,0,0|2,0,0]=4 1187 B8R1.7 CC(c1cc[nH]n1)N 1P00AO49 [0,1,0,1,0,0|2,0,0]=4 1188 B8R1.7 CC(c1cc[nH]n1)O 1P00BU24 [0,1,0,1,0,0|2,0,0]=4 1189 B8R1.7 CC(c1ccc[nH]1)N 1P01A3OU [0,1,0,1,0,0|2,0,0]=4 1190 B8R1.7 CC(c1ccco1)C 1P003HYG [0,1,0,1,0,0|0,0,1]=3 1191 B8R1.7 CC(c1ccco1)N 1P00BDMZ [0,1,0,1,0,0|1,0,1]=4 1192 B8R1.7 CC(c1ccco1)N 1P019N05 [0,1,0,1,0,0|1,0,1]=4 1193 B8R1.7 CC(c1ccco1)O 1P00I8MZ [0,1,0,1,0,0|1,0,1]=4 1194 B8R1.7 CC(c1ccco1)S 1P01A8IC [0,1,0,1,0,0|1,0,1]=4 1195 B8R1.7 CC(c1cccs1)N 1P0032QU [0,1,0,1,0,0|1,1,0]=4 1196 B8R1.7 CC(c1cccs1)N 1P00ATK3 [0,1,0,1,0,0|1,1,0]=4 1197 B8R1.7 CC(c1cccs1)O 1P002MMU [0,1,0,1,0,0|1,1,0]=4 1198 B8R1.7 CC(c1cccs1)S 1P01AKH2 [0,1,0,1,0,0|1,1,0]=4 1199 B8R1.7 CC(c1ccno1)O 1P0289RW [0,1,0,1,0,0|1,0,1]=4 1200 B8R1.7 CC(c1ccns1)N 1P01BY3O [0,1,0,1,0,0|1,1,0]=4 1201 B8R1.7 CC(c1ccns1)N 1P01BY4V [0,1,0,1,0,0|1,1,0]=4 1202 B8R1.7 CC(c1ccon1)N 1P01A3YI [0,1,0,1,0,0|1,0,1]=4 1203 B8R1.7 CC(c1ccon1)N 1P01AF6D [0,1,0,1,0,0|1,0,1]=4 1204 B8R1.7 CC(c1cnc[nH]1)O 1P00EG08 [0,1,0,1,0,0|2,0,0]=4 1205 B8R1.7 CC(c1cnco1)O 1P028HP9 [0,1,0,1,0,0|1,0,1]=4 1206 B8R1.7 CC(c1cncs1)N 1P0099H5 [0,1,0,1,0,0|1,1,0]=4 1207 B8R1.7 CC(c1cncs1)N 1P01EII7 [0,1,0,1,0,0|1,1,0]=4 1208 B8R1.7 CC(c1cncs1)O 1P00D74H [0,1,0,1,0,0|1,1,0]=4 1209 B8R1.7 CC(c1cocc1)N 1P00BDB1 [0,1,0,1,0,0|1,0,1]=4 1210 B8R1.7 CC(c1cocc1)N 1P01A1FQ [0,1,0,1,0,0|1,0,1]=4 1211 B8R1.7 CC(c1cocc1)S 1P0291JO [0,1,0,1,0,0|1,0,1]=4 1212 B8R1.7 CC(c1cocn1)N 1P0286V2 [0,1,0,1,0,0|2,0,0]=4 1213 B8R1.7 CC(c1cocn1)O 1P020N34 [0,1,0,1,0,0|2,0,0]=4 1214 B8R1.7 CC(c1cscc1)N 1P008U4D [0,1,0,1,0,0|1,1,0]=4 1215 B8R1.7 CC(c1cscc1)O 1P00AT04 [0,1,0,1,0,0|1,1,0]=4 1216 B8R1.7 CC(c1cscn1)N 1P0089QY [0,1,0,1,0,0|2,0,0]=4 1217 B8R1.7 CC(c1cscn1)O 1P01A4T6 [0,1,0,1,0,0|2,0,0]=4 1218 B8R1.7 CC(c1nc[nH]c1)C 1P003M28 [0,1,0,1,0,0|1,0,0]=3 1219 B8R1.7 CC(c1nc[nH]c1)N 1P00HSY9 [0,1,0,1,0,0|2,0,0]=4 1220 B8R1.7 CC(c1ncc[nH]1)C 1P003BPB [0,1,0,1,0,0|1,0,0]=3 1221 B8R1.7 CC(c1ncc[nH]1)N 1P00J2U6 [0,1,0,1,0,0|2,0,0]=4 1222 B8R1.7 CC(c1ncc[nH]1)O 1P00C3YX [0,1,0,1,0,0|2,0,0]=4 1223 B8R1.7 CC(c1ncc[nH]1)O 1P028EA4 [0,1,0,1,0,0|2,0,0]=4 1224 B8R1.7 CC(c1ncco1)Br 1P0285HD [0,1,0,1,0,0|1,0,1]=4 1225 B8R1.7 CC(c1ncco1)Cl 1P028AQQ [0,1,0,1,0,0|1,0,1]=4 1226 B8R1.7 CC(c1ncco1)N 1P00HBMP [0,1,0,1,0,0|1,0,1]=4 1227 B8R1.7 CC(c1ncco1)N 1P01BDX7 [0,1,0,1,0,0|1,0,1]=4 1228 B8R1.7 CC(c1nccs1)Br 1P01A5LH [0,1,0,1,0,0|1,1,0]=4 1229 B8R1.7 CC(c1nccs1)Br 1P01DWD9 [0,1,0,1,0,0|1,1,0]=4 1230 B8R1.7 CC(c1nccs1)Cl 1P00CJVM [0,1,0,1,0,0|1,1,0]=4 1231 B8R1.7 CC(c1nccs1)N 1P003DCD [0,1,0,1,0,0|1,1,0]=4 1232 B8R1.7 CC(c1nccs1)N 1P003DCE [0,1,0,1,0,0|1,1,0]=4 1233 B8R1.7 CC(c1nccs1)O 1P00CJVD [0,1,0,1,0,0|1,1,0]=4 1234 B8R1.7 CC(c1ncn[nH]1)C 1P00C2M9 [0,1,0,1,0,0|2,0,0]=4 1235 B8R1.7 CC(c1ocnc1)C 1P01E7KI [0,1,0,1,0,0|0,0,1]=3 1236 B8R1.7 CC(c1ocnc1)N 1P01EIHC [0,1,0,1,0,0|1,0,1]=4 1237 B8R1.7 CC(c1ocnn1)C 1P001M1E [0,1,0,1,0,0|1,0,1]=4 1238 B8R1.7 CC(c1scnc1)C 1P001WUZ [0,1,0,1,0,0|0,1,0]=3 1239 B8R1.7 CC(c1scnc1)N 1P024UN9 [0,1,0,1,0,0|1,1,0]=4 1240 B8R1.7 CC(n1cccn1)C 1P002E7T [0,1,0,1,0,0|1,0,0]=3 1241 B8R1.7 CC(n1ccnn1)C 1P006XQF [0,1,0,1,0,0|2,0,0]=4 1242 B8R1.7 CC(n1cncc1)C 1P003397 [0,1,0,1,0,0|2,0,0]=4 1243 B8R1.7 CC(n1nccn1)C 1P028VJ0 [0,1,0,1,0,0|2,0,0]=4 1244 B8R1.7 CC(n1ncnc1)C 1P00EK8B [0,1,0,1,0,0|2,0,0]=4 1245 B8R1.7 CN(c1nccs1)C 1P00ELP1 [0,1,0,1,0,0|1,1,0]=4 1246 B8R1.7 C[C@@H](c1c[nH]cn1)O 1P028MGD [0,1,0,1,0,0|2,0,0]=4 1247 B8R1.7 C[C@@H](c1cc[nH]n1)O 1P01B885 [0,1,0,1,0,0|2,0,0]=4 1248 B8R1.7 C[C@@H](c1ccco1)O 1P0079X7 [0,1,0,1,0,0|1,0,1]=4 1249 B8R1.7 C[C@@H](c1cccs1)N 1P000V48 [0,1,0,1,0,0|1,1,0]=4 1250 B8R1.7 C[C@@H](c1cccs1)N 1P00BJRY [0,1,0,1,0,0|1,1,0]=4 1251 B8R1.7 C[C@@H](c1cccs1)O 1P00BC2M [0,1,0,1,0,0|1,1,0]=4 1252 B8R1.7 C[C@@H](c1ccns1)O 1P027Z4B [0,1,0,1,0,0|1,1,0]=4 1253 B8R1.7 C[C@@H](c1cncs1)O 1P01A5H7 [0,1,0,1,0,0|1,1,0]=4 1254 B8R1.7 C[C@@H](c1cncs1)O 1P01AJLF [0,1,0,1,0,0|1,1,0]=4 1255 B8R1.7 C[C@@H](c1cocc1)N 1P01KKHI [0,1,0,1,0,0|1,0,1]=4 1256 B8R1.7 C[C@@H](c1cocc1)O 1P019ZQQ [0,1,0,1,0,0|1,0,1]=4 1257 B8R1.7 C[C@@H](c1cscc1)N 1P00ASPZ [0,1,0,1,0,0|1,1,0]=4 1258 B8R1.7 C[C@@H](c1cscc1)N 1P029045 [0,1,0,1,0,0|1,1,0]=4 1259 B8R1.7 C[C@@H](c1cscn1)O 1P0283B6 [0,1,0,1,0,0|2,0,0]=4 1260 B8R1.7 C[C@@H](c1ncc[nH]1)N 1P01ALS4 [0,1,0,1,0,0|2,0,0]=4 1261 B8R1.7 C[C@@H](c1nccs1)N 1P01KKJR [0,1,0,1,0,0|1,1,0]=4 1262 B8R1.7 C[C@@H](c1nccs1)O 1P009TDD [0,1,0,1,0,0|1,1,0]=4 1263 B8R1.7 C[C@@H](c1ncsc1)N 1P01K4C3 [0,1,0,1,0,0|2,0,0]=4 1264 B8R1.7 C[C@@H](c1scnc1)N 1P01AGG1 [0,1,0,1,0,0|1,1,0]=4 1265 B8R1.7 C[C@H](c1c[nH]cn1)O 1P028G39 [0,1,0,1,0,0|2,0,0]=4 1266 B8R1.7 C[C@H](c1cc[nH]n1)O 1P01B884 [0,1,0,1,0,0|2,0,0]=4 1267 B8R1.7 C[C@H](c1ccco1)N 1P01JV6O [0,1,0,1,0,0|1,0,1]=4 1268 B8R1.7 C[C@H](c1ccco1)O 1P00IN2M [0,1,0,1,0,0|1,0,1]=4 1269 B8R1.7 C[C@H](c1cccs1)N 1P00BJSF [0,1,0,1,0,0|1,1,0]=4 1270 B8R1.7 C[C@H](c1cccs1)N 1P01JV6J [0,1,0,1,0,0|1,1,0]=4 1271 B8R1.7 C[C@H](c1cccs1)O 1P003BWH [0,1,0,1,0,0|1,1,0]=4 1272 B8R1.7 C[C@H](c1ccns1)O 1P027YNI [0,1,0,1,0,0|1,1,0]=4 1273 B8R1.7 C[C@H](c1cncs1)O 1P01AJLG [0,1,0,1,0,0|1,1,0]=4 1274 B8R1.7 C[C@H](c1cocc1)N 1P028M77 [0,1,0,1,0,0|1,0,1]=4 1275 B8R1.7 C[C@H](c1cocc1)O 1P019ZUH [0,1,0,1,0,0|1,0,1]=4 1276 B8R1.7 C[C@H](c1cscc1)N 1P028ZD0 [0,1,0,1,0,0|1,1,0]=4 1277 B8R1.7 C[C@H](c1cscn1)O 1P0282TD [0,1,0,1,0,0|2,0,0]=4 1278 B8R1.7 C[C@H](c1ncc[nH]1)N 1P01AM7T [0,1,0,1,0,0|2,0,0]=4 1279 B8R1.7 C[C@H](c1nccs1)N 1P00IN44 [0,1,0,1,0,0|1,1,0]=4 1280 B8R1.7 C[C@H](c1nccs1)O 1P00A93S [0,1,0,1,0,0|1,1,0]=4 1281 B8R1.7 C[C@H](c1ncsc1)N 1P01K4RV [0,1,0,1,0,0|2,0,0]=4 1282 B8R1.7 C[C@H](c1scnc1)N 1P01A5OR [0,1,0,1,0,0|1,1,0]=4 1283 B8R1.19 O=C1C=CCC1(C)C 1P007WQE [0,1,0,1,0,0|0,0,0]=2 1284 B8R1.19 O=C1CCCC1(C)C 1P0039OS [0,1,0,1,0,0|0,0,2]=4 1285 B8R1.19 O=C1CCNC1(C)C 1P00VVHI [0,1,0,1,0,0|0,0,2]=4 1286 B8R1.19 O=C1CCOC1(C)C 1P00JZ4F [0,1,0,1,0,0|0,0,2]=4 1287 B8R1.19 O=C1COCC1(C)C 1P001QLN [0,1,0,1,0,0|0,0,2]=4 1288 B8R1.19 O=C1CSCC1(C)C 1P0001Z8 [0,1,0,1,0,0|0,0,2]=4 1289 B8R1.19 O=C1NCCC1(C)C 1P00DD2V [0,1,0,1,0,0|0,0,2]=4 1290 B8R1.19 O=C1NCCC1(C)C 1P01BD0P [0,1,0,1,0,0|0,0,2]=4 1291 B8R1.19 O=C1NOCC1(C)C 1P005IIN [0,1,0,1,0,0|1,0,1]=4 1292 B8R1.19 O=C1OCCC1(C)C 1P003O8D [0,1,0,1,0,0|0,0,2]=4 1293 B8R1.19 O=N1=CCCC1(C)C 1P0034MM [0,1,0,1,0,0|0,0,2]=4 1294 B8R1.35 CC(=O)CCC1CC1 1P01AD57 [0,1,0,1,0,0|0,0,2]=4 1295 B8R1.35 ClC(=O)NCC1CC1 1P0284IH [0,1,0,1,0,0|1,0,1]=4 1296 B8R1.35 ClC(=O)OCC1CC1 1P01ADOW [0,1,0,1,0,0|1,0,1]=4 1297 B8R1.35 NC(=O)CCC1CC1 1P004VRG [0,1,0,1,0,0|0,0,2]=4 1298 B8R1.35 NC(=O)NCC1CC1 1P00F5EJ [0,1,0,1,0,0|1,0,1]=4 1299 B8R1.35 OB(\C=C\C1CC1)O 1P00IGKK [0,1,0,1,0,0|1,0,1]=4 1300 B8R1.35 OC(=O)C#CC1CC1 1P008R3C [0,1,0,1,0,0|0,0,2]=4 1301 B8R1.35 OC(=O)C=CC1CC1 1P019FIA [0,1,0,1,0,0|0,0,0]=2 1302 B8R1.35 OC(=O)CCC1CC1 1P00IAHR [0,1,0,1,0,0|0,0,2]=4 1303 B8R1.35 OC(=O)CNC1CC1 1P007JIG [0,1,0,1,0,0|1,0,1]=4 1304 B8R1.35 OC(=O)CNC1CC1 1P019V79 [0,1,0,1,0,0|1,0,1]=4 1305 B8R1.35 OC(=O)COC1CC1 1P01BICC [0,1,0,1,0,0|1,0,1]=4 1306 B8R1.35 OC(=O)CSC1CC1 1P01APH1 [0,1,0,1,0,0|1,0,1]=4 1307 B8R1.35 OC(=O)\C=C\C1CC1 1P00EM8D [0,1,0,1,0,0|0,0,0]=2 1308 B8R1.35 [O-][N+](=O)C=CC1CC1 1P019SXQ [0,1,0,1,0,0|1,0,0]=3 1309 B8R1.36 O=CCCCC1CC1 1P01BTZJ [0,1,0,1,0,0|0,0,2]=4 1310 B8R1.72 CC1(C)CC=CCN1 1P028S7Z [0,1,0,1,0,0|1,0,1]=4 1311 B8R1.72 CC1(C)CCC=CC1 1P001D81 [0,1,0,1,0,0|1,0,1]=4 1312 B8R1.72 CC1(N)CCC=CC1 1P01C34F [0,1,0,1,0,0|1,0,1]=4 1313 B8R1.72 CC1(O)CCCC=C1 1P00CCUM [0,1,0,1,0,0|1,0,1]=4 1314 B8R1.23 CC(C1CC(=O)C1)C 1P019ZKQ [0,1,0,1,0,0|0,0,2]=4 1315 B8R1.23 CC(C1CC(=O)N1)C 1P00GFT6 [0,1,0,1,0,0|0,0,2]=4 1316 B8R1.23 CC1CC(C1)C(=O)C 1P00CIPH [0,1,0,1,0,0|0,0,2]=4 1317 B8R1.23 CC1CC(C1)C(=O)O 1P00380T [0,1,0,1,0,0|0,0,2]=4 1318 B8R1.23 CC1CC(N1)C(=O)O 1P01DZCF [0,1,0,1,0,0|1,0,1]=4 1319 B8R1.23 CC1CN(C1)C(=O)Cl 1P0286O3 [0,1,0,1,0,0|1,0,1]=4 1320 B8R1.23 C[C@@H]1C[C@@H](C1)C(=O)O 1P00H3P5 [0,1,0,1,0,0|0,0,2]=4 1321 B8R1.23 C[C@@H]1C[C@@H](N1)C(=O)O 1P02074D [0,1,0,1,0,0|1,0,1]=4 1322 B8R1.23 C[C@@H]1C[C@H](C1)C(=O)O 1P00IF9M [0,1,0,1,0,0|0,0,2]=4 1323 B8R1.23 C[C@H]1C[C@@H](N1)C(=O)O 1P02074N [0,1,0,1,0,0|1,0,1]=4 1324 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O 1P00PLYX [0,1,0,1,0,0|1,0,1]=4 1325 B8R1.24 OC1CC(=O)C1(C)C 1P01A5IQ [0,1,0,1,0,0|0,0,2]=4 1326 B8R1.37 C=CCC(=O)C1CC1 1P01A6PR [0,1,0,1,0,0|1,0,1]=4 1327 B8R1.37 NCC=C(C1CC1)C 1P028B1C [0,1,0,1,0,0|1,0,1]=4 1328 B8R1.77 CC(=O)C1CC1(C)C 1P004M9O [0,1,0,1,0,0|0,0,2]=4 1329 B8R1.77 ClC(=O)C1CC1(C)C 1P00DVL5 [0,1,0,1,0,0|0,0,2]=4 1330 B8R1.77 NC(=O)C1CC1(C)C 1P0021R3 [0,1,0,1,0,0|0,0,2]=4 1331 B8R1.77 NC(=O)[C@@H]1CC1(C)C 1P003CKE [0,1,0,1,0,0|0,0,2]=4 1332 B8R1.77 NC(=O)[C@H]1CC1(C)C 1P003CWT [0,1,0,1,0,0|0,0,2]=4 1333 B8R1.77 OC(=O)C1CC1(C)C 1P00371E [0,1,0,1,0,0|0,0,2]=4 1334 B8R1.77 OC(=O)[C@H]1CC1(C)C 1P001DYP [0,1,0,1,0,0|0,0,2]=4 1335 B8R2.4 O=C1CC2CC1C2 1P006UW5 [0,0,0,2,0,0|0,0,2]=4 1336 B8R2.18 O=C1CC2C(C1)C2 1P0077Y0 [0,0,0,2,0,0|0,0,2]=4 1337 B8R2.18 O=C1CC2C(N1)C2 1P01JVJA [0,0,0,2,0,0|1,0,1]=4 1338 B8R2.34 C1CC2CC1C=C2 1P003TR3 [0,0,0,2,0,0|1,0,1]=4 1339 B8R2.34 N1CC2CC1C=C2 1P00EMF5 [0,0,0,2,0,0|1,0,1]=4 1340 B8R2.34 N1CC2CC1C=C2 1P00FCT4 [0,0,0,2,0,0|1,0,1]=4 1341 B8R2.34 N1CC2CC1C=C2 1P00I26V [0,0,0,2,0,0|1,0,1]=4 1342 B8R2.38 O=C1CCC2C1C2 1P00724D [0,0,0,2,0,0|0,0,2]=4 1343 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 1P01DY7L [0,0,0,2,0,0|0,0,2]=4 1344 B8R2.38 O=C1NCC2C1C2 1P0011BS [0,0,0,2,0,0|1,0,1]=4 1345 B8R2.38 O=C1NC[C@@H]2[C@H]1C2 1P01FYY3 [0,0,0,2,0,0|1,0,1]=4 1346 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 1P020A2J [0,0,0,2,0,0|1,0,1]=4 1347 B8R2.19 O=C1CCC12CC2 1P002AS5 [0,0,0,2,0,0|0,0,2]=4 1348 B8R2.20 O=CC1CC12CC2 1P01BVKQ [0,0,0,2,0,0|0,0,2]=4 1349 B8R2.55 C1=CC2(C=C1)CC2 1P003UVQ [0,0,0,2,0,0|1,0,0]=3 1350 B8R2.31 O=CC12CC(C1)C2 1P01BSJ9 [0,0,0,2,0,0|0,0,2]=4