0 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 C=C(C)CCC(=C)C MCULE-6018302318 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.6 C=C(C)CCC(C)Br MCULE-6437209576 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.6 C=C(C)CCC(C)C MCULE-2459654294 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.6 C=C(C)CCN(=O)=O MCULE-5685156382 [0,0,0,0,0,0|1,0,3]=4 10 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,0,0|0,0,2]=2 14 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [0,0,0,0,0,0|0,0,3]=3 15 B7R0.6 CC(=CCC(C)C)C MCULE-5578852998 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.6 CC(=NNC(=O)N)C MCULE-9452330207 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,0,0|1,0,3]=4 18 B7R0.6 CC(=O)/C=C/N(C)C MCULE-7703636114 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,0,0|1,0,3]=4 20 B7R0.6 CC(=O)C=CC(C)C MCULE-7908862390 [0,0,0,0,0,0|1,0,2]=3 21 B7R0.6 CC(=O)C=CN(C)C MCULE-2800987098 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,0,0|2,0,1]=3 23 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,0,0|1,0,1]=2 25 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,0,0,0,0,0|1,0,2]=3 26 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [0,0,0,0,0,0|1,0,0]=1 27 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [0,0,0,0,0,0|2,0,0]=2 35 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [0,0,0,0,0,0|2,0,0]=2 37 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [0,0,0,0,0,0|2,0,0]=2 38 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,0,0|2,0,1]=3 41 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,0,0,0,0,0|3,0,0]=3 42 B7R0.6 CC(=O)NN=C(C)C MCULE-9759901228 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.6 CC(=O)NNC(C)C MCULE-8896858149 [0,0,0,0,0,0|3,0,0]=3 44 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [0,0,0,0,0,0|2,0,0]=2 47 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.6 CC(=O)OCC(F)F MCULE-9491615455 [0,0,0,0,0,0|4,0,0]=4 49 B7R0.6 CC(=O)ON=C(C)C MCULE-4373487613 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,0,0|2,0,1]=3 51 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,0,0|2,0,1]=3 52 B7R0.6 CC(Br)CCC(C)Br MCULE-4511070452 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [0,0,0,0,0,0|0,0,2]=2 54 B7R0.6 CC(C)/C=C/N(=O)=O MCULE-8386755735 [0,0,0,0,0,0|1,0,3]=4 55 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [0,0,0,0,0,0|0,0,2]=2 56 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [0,0,0,0,0,0|0,0,2]=2 57 B7R0.6 CC(C)C=C[N+](=O)[O-] MCULE-1892466644 [0,0,0,0,0,0|1,0,3]=4 58 B7R0.6 CC(C)CCB(O)O MCULE-7387060292 [0,0,0,0,0,0|1,0,1]=2 59 B7R0.6 CC(C)CCC(=N)N MCULE-1131862481 [0,0,0,0,0,0|2,0,0]=2 60 B7R0.6 CC(C)CCC(=N)N MCULE-3040841257 [0,0,0,0,0,0|2,0,0]=2 61 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [0,0,0,0,0,0|1,0,0]=1 62 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [0,0,0,0,0,0|1,0,0]=1 63 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,0,0,0,0,0|0,0,0]=0 64 B7R0.6 CC(C)CCC(=S)N MCULE-7175463316 [0,0,0,0,0,0|1,1,0]=2 65 B7R0.6 CC(C)CCC(C)Br MCULE-4005079361 [0,0,0,0,0,0|2,0,1]=3 66 B7R0.6 CC(C)CCC(C)C MCULE-4093485278 [0,0,0,0,0,0|2,0,1]=3 67 B7R0.6 CC(C)CCC(C)N MCULE-3038746969 [0,0,0,0,0,0|2,0,1]=3 68 B7R0.6 CC(C)CCC(C)N MCULE-7972635029 [0,0,0,0,0,0|2,0,1]=3 69 B7R0.6 CC(C)CCC(C)O MCULE-6292509345 [0,0,0,0,0,0|1,0,1]=2 70 B7R0.6 CC(C)CCN(=O)=O MCULE-1596287630 [0,0,0,0,0,0|1,0,1]=2 71 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [0,0,0,0,0,0|2,0,0]=2 72 B7R0.6 CC(C)CNC(=S)N MCULE-4099725026 [0,0,0,0,0,0|2,1,0]=3 73 B7R0.6 CC(C)CNC(C)C MCULE-1556200503 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.6 CC(C)CNC(C)C MCULE-9703437877 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [0,0,0,0,0,0|2,0,0]=2 76 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [0,0,0,0,0,0|2,0,0]=2 77 B7R0.6 CC(C)COC(=S)[S-] MCULE-2950087835 [0,0,0,0,0,0|1,2,0]=3 78 B7R0.6 CC(C)COC(=S)[S-] MCULE-9454360265 [0,0,0,0,0,0|1,2,0]=3 79 B7R0.6 CC(C)CSC(=N)N MCULE-3628542246 [0,0,0,0,0,0|3,0,0]=3 80 B7R0.6 CC(C)CSC(=N)N MCULE-5586193026 [0,0,0,0,0,0|3,0,0]=3 81 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [0,0,0,0,0,0|2,0,0]=2 82 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [0,0,0,0,0,0|2,0,0]=2 83 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [0,0,0,0,0,0|2,0,0]=2 84 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,0,0,0,0,0|1,0,0]=1 85 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,0,0,0,0,0|1,0,0]=1 86 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [0,0,0,0,0,0|2,0,0]=2 87 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,0,0,0,0,0|1,0,0]=1 88 B7R0.6 CC(C)OCC(=S)N MCULE-8843903229 [0,0,0,0,0,0|2,1,0]=3 89 B7R0.6 CC(C)OC[C@H](C)O MCULE-2195035455 [0,0,0,0,0,0|2,0,1]=3 90 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,0,0,0,0,0|1,0,0]=1 91 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [0,0,0,0,0,0|2,0,0]=2 92 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,0,0,0,0,0|1,0,0]=1 93 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,0,0,0,0,0|1,0,0]=1 94 B7R0.6 CC(N)CCC(F)F MCULE-6444451088 [0,0,0,0,0,0|3,0,1]=4 95 B7R0.6 CC(N)CCC(F)F MCULE-9287101789 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.6 CC(N)CCN(C)C MCULE-9256005237 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [0,0,0,0,0,0|3,0,0]=3 98 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [0,0,0,0,0,0|3,0,0]=3 99 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,0,0|1,0,0]=1 100 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,0,0,0,0,0|1,0,1]=2 101 B7R0.6 CC(O)CCC(C)O MCULE-6170497684 [0,0,0,0,0,0|2,0,1]=3 102 B7R0.6 CC(O)CCN(C)C MCULE-7246080230 [0,0,0,0,0,0|2,0,1]=3 103 B7R0.6 CC(O)CNC(C)C MCULE-9932831006 [0,0,0,0,0,0|2,0,1]=3 104 B7R0.6 CC(O)COC(C)C MCULE-3357280817 [0,0,0,0,0,0|2,0,1]=3 105 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,0,0,0,0,0|1,0,0]=1 106 B7R0.6 CN(C)CCC(=N)N MCULE-3452380324 [0,0,0,0,0,0|3,0,0]=3 107 B7R0.6 CN(C)CCC(=N)N MCULE-7661734671 [0,0,0,0,0,0|3,0,0]=3 108 B7R0.6 CN(C)CCC(=N)N MCULE-9745909230 [0,0,0,0,0,0|3,0,0]=3 109 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,0,0,0,0,0|1,0,0]=1 110 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,0,0,0,0,0|1,0,0]=1 111 B7R0.6 CN(C)CCN(C)C MCULE-1720617857 [0,0,0,0,0,0|4,0,0]=4 112 B7R0.6 CP(C)CCP(C)C MCULE-3093586397 [0,0,0,0,0,0|4,0,0]=4 113 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,0,0,0,0,0|2,0,0]=2 114 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,0,0,0,0,0|1,0,0]=1 115 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,0,0,0,0,0|1,0,0]=1 116 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,0,0,0,0,0|1,0,0]=1 117 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,0,0,0,0,0|1,0,0]=1 118 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-3982464496 [0,0,0,0,0,0|2,0,1]=3 119 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-6083261012 [0,0,0,0,0,0|2,0,1]=3 120 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-8142548171 [0,0,0,0,0,0|2,0,1]=3 121 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,0,0,0,0,0|2,0,0]=2 122 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,0,0,0,0,0|1,0,0]=1 123 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,0,0,0,0,0|1,0,0]=1 124 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-5867971604 [0,0,0,0,0,0|2,0,1]=3 125 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-7024859164 [0,0,0,0,0,0|2,0,1]=3 126 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,0,0,0,0,0|1,0,0]=1 127 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,0,0,0,0,0|1,0,0]=1 128 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [0,0,0,0,0,0|1,0,1]=2 129 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,0,0,0,0,0|3,0,1]=4 131 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,0,0,0,0,0|3,0,1]=4 132 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,0,0,0,0,0|3,0,1]=4 133 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,0,0,0,0,0|3,0,1]=4 134 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,0,0|2,0,1]=3 135 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,0,0|3,0,1]=4 136 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,0,0|3,0,1]=4 137 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,0,0,0,0,0|3,0,1]=4 138 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,0,0,0,0,0|3,0,1]=4 139 B7R0.6 O=C(Cl)OCC(F)F MCULE-4977819635 [0,0,0,0,0,0|4,0,0]=4 140 B7R0.6 O=C(O)C=CC(F)F MCULE-5853046592 [0,0,0,0,0,0|2,0,2]=4 141 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,0,0,0,0,0|3,0,0]=3 142 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,0,0|2,0,1]=3 143 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,0,0|2,0,1]=3 144 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,0,0,0,0,0|2,0,0]=2 145 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,0,0,0,0,0|3,0,0]=3 146 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,0,0,0,0,0|3,0,0]=3 147 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,0,0,0,0,0|3,0,0]=3 148 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,0,0,0,0,0|2,0,1]=3 149 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,0,0,0,0,0|2,0,2]=4 150 B7R0.6 O=C([O-])CSC(F)F MCULE-1738110888 [0,0,0,0,0,0|3,0,1]=4 151 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,0,0,0,0,0|1,0,2]=4 152 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [1,0,0,0,0,0|1,0,2]=4 153 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [1,0,0,0,0,0|1,0,2]=4 154 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,0,0,0,0,0|0,0,2]=3 155 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [1,0,0,0,0,0|0,0,3]=4 156 B6R0.4 C#CCCC(C)C MCULE-9613694830 [1,0,0,0,0,0|1,0,1]=3 157 B6R0.4 C#CCCC(C)O MCULE-1476308263 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.4 C#CCCN(C)C MCULE-9558095172 [1,0,0,0,0,0|2,0,1]=4 159 B6R0.4 C#CCNC(C)C MCULE-6517958599 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.4 C#CCNC(C)C MCULE-7459223609 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.4 C#CCOC(C)C MCULE-3111253071 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,0,0,0,0,0|1,0,2]=4 163 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,0,0,0,0,0|1,0,2]=4 164 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|0,0,2]=3 165 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [1,0,0,0,0,0|3,0,0]=4 166 B6R0.4 C=C(C)CCCC MCULE-1010177756 [1,0,0,0,0,0|2,0,0]=3 167 B6R0.4 C=C(C)CCCO MCULE-4629274490 [1,0,0,0,0,0|0,0,3]=4 168 B6R0.4 C=C(C)CNCC MCULE-2237759977 [1,0,0,0,0,0|3,0,0]=4 169 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [1,0,0,0,0,0|3,0,0]=4 170 B6R0.4 C=C(F)CCCO MCULE-1688645687 [1,0,0,0,0,0|3,0,0]=4 171 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,0,0,0,0,0|0,0,3]=4 172 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [1,0,0,0,0,0|1,0,2]=4 173 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,0,0,0,0,0|1,0,2]=4 174 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,0,0,0,0,0|1,0,2]=4 175 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,0,0,0,0,0|1,0,2]=4 176 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,0,0,0,0,0|0,0,2]=3 177 B6R0.4 C=CCCC(C)Br MCULE-5841356762 [1,0,0,0,0,0|2,0,0]=3 178 B6R0.4 C=CCCC(C)C MCULE-7128249655 [1,0,0,0,0,0|1,0,0]=2 179 B6R0.4 C=CCCC(C)O MCULE-3388106789 [1,0,0,0,0,0|2,0,0]=3 180 B6R0.4 C=CCC[C@@H](C)O MCULE-1272820385 [1,0,0,0,0,0|2,0,0]=3 181 B6R0.4 C=CCC[C@@H](C)O MCULE-8509867177 [1,0,0,0,0,0|2,0,0]=3 182 B6R0.4 C=CCC[C@H](C)O MCULE-4371391667 [1,0,0,0,0,0|2,0,0]=3 183 B6R0.4 C=CCNC(C)C MCULE-1450045891 [1,0,0,0,0,0|2,0,0]=3 184 B6R0.4 C=CCNC(C)C MCULE-3261189096 [1,0,0,0,0,0|2,0,0]=3 185 B6R0.4 C=CCNC(C)C MCULE-4894255968 [1,0,0,0,0,0|2,0,0]=3 186 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,0,0,0,0,0|1,0,2]=4 187 B6R0.4 C=COCC(C)C MCULE-7268141053 [1,0,0,0,0,0|2,0,0]=3 188 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,0,0,0,0,0|0,0,2]=3 189 B6R0.4 CC(=CCCO)C MCULE-2493404466 [1,0,0,0,0,0|0,0,3]=4 190 B6R0.4 CC(=CCCO)C MCULE-8497528596 [1,0,0,0,0,0|0,0,3]=4 191 B6R0.4 CC(=NNC=O)C MCULE-6194074981 [1,0,0,0,0,0|2,0,1]=4 192 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,0,0,0,0|1,0,1]=3 194 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,0,0,0,0,0|2,0,0]=3 195 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,0,0,0,0,0|2,0,0]=3 196 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,0,0,0,0,0|2,0,0]=3 197 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,0,0,0,0,0|3,0,0]=4 198 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,0,0,0,0,0|3,0,0]=4 199 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,0,0,0,0,0|3,0,0]=4 200 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,0,0,0,0,0|3,0,0]=4 201 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,0,0,0,0,0|3,0,0]=4 202 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,0,0,0,0,0|3,0,0]=4 203 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,0,0,0,0,0|3,0,0]=4 204 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,0,0,0,0,0|3,0,0]=4 205 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,0,0,0,0,0|3,0,0]=4 206 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [1,0,0,0,0,0|3,0,0]=4 207 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,0,0,0,0,0|3,0,0]=4 208 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,0,0,0,0,0|3,0,0]=4 209 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,0,0,0,0,0|3,0,0]=4 210 B6R0.4 CC(Br)CCC#N MCULE-7424967519 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.4 CC(Br)CCCBr MCULE-8808667049 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.4 CC(C)C=CC=O MCULE-5034551905 [1,0,0,0,0,0|0,0,2]=3 213 B6R0.4 CC(C)CCC#N MCULE-5503038837 [1,0,0,0,0,0|1,0,1]=3 214 B6R0.4 CC(C)CCC=O MCULE-9664145623 [1,0,0,0,0,0|0,0,0]=1 215 B6R0.4 CC(C)CCCBr MCULE-2045625937 [1,0,0,0,0,0|1,0,1]=3 216 B6R0.4 CC(C)CCCCl MCULE-4841628592 [1,0,0,0,0,0|1,0,1]=3 217 B6R0.4 CC(C)CCCI MCULE-4035616717 [1,0,0,0,0,0|1,0,1]=3 218 B6R0.4 CC(C)CCCN MCULE-2232715676 [1,0,0,0,0,0|1,0,1]=3 219 B6R0.4 CC(C)CCCN MCULE-7121372197 [1,0,0,0,0,0|1,0,1]=3 220 B6R0.4 CC(C)CCCO MCULE-5797993948 [1,0,0,0,0,0|0,0,1]=2 221 B6R0.4 CC(C)CCCS MCULE-8417191578 [1,0,0,0,0,0|0,1,1]=3 222 B6R0.4 CC(C)CCNN MCULE-1163630283 [1,0,0,0,0,0|2,0,0]=3 223 B6R0.4 CC(C)CCNN MCULE-2023326468 [1,0,0,0,0,0|2,0,0]=3 224 B6R0.4 CC(C)CCNN MCULE-4572239737 [1,0,0,0,0,0|2,0,0]=3 225 B6R0.4 CC(C)CCON MCULE-2653553816 [1,0,0,0,0,0|2,0,0]=3 226 B6R0.4 CC(C)CCON MCULE-6468395078 [1,0,0,0,0,0|2,0,0]=3 227 B6R0.4 CC(C)CN=C=O MCULE-3174970377 [1,0,0,0,0,0|1,0,1]=3 228 B6R0.4 CC(C)CN=C=S MCULE-8043723276 [1,0,0,0,0,0|1,1,1]=4 229 B6R0.4 CC(C)CN=N#N MCULE-3597135332 [1,0,0,0,0,0|3,0,0]=4 230 B6R0.4 CC(C)CNC=O MCULE-2156996206 [1,0,0,0,0,0|1,0,0]=2 231 B6R0.4 CC(C)COC=O MCULE-8234906771 [1,0,0,0,0,0|1,0,0]=2 232 B6R0.4 CC(C)COCCl MCULE-2194640169 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.4 CC(C)CON=O MCULE-8394966903 [1,0,0,0,0,0|2,0,0]=3 234 B6R0.4 CC(C)CSCCl MCULE-5218455619 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.4 CC(C)NCC#N MCULE-1545752174 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.4 CC(C)NCC#N MCULE-4381172074 [1,0,0,0,0,0|2,0,1]=4 237 B6R0.4 CC(C)NCCCl MCULE-1521398137 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.4 CC(C)NCCCl MCULE-2586914937 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.4 CC(C)NCCN MCULE-1003086359 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.4 CC(C)NCCN MCULE-5066931507 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.4 CC(C)NCCO MCULE-1749029105 [1,0,0,0,0,0|1,0,1]=3 242 B6R0.4 CC(C)OCC#N MCULE-4594795380 [1,0,0,0,0,0|2,0,1]=4 243 B6R0.4 CC(C)OCC=O MCULE-5974054323 [1,0,0,0,0,0|1,0,0]=2 244 B6R0.4 CC(C)OCCBr MCULE-8869065375 [1,0,0,0,0,0|2,0,1]=4 245 B6R0.4 CC(C)OCCCl MCULE-3848763715 [1,0,0,0,0,0|2,0,1]=4 246 B6R0.4 CC(C)OCCI MCULE-8259612531 [1,0,0,0,0,0|2,0,1]=4 247 B6R0.4 CC(C)OCCN MCULE-6140628944 [1,0,0,0,0,0|2,0,1]=4 248 B6R0.4 CC(C)OCCN MCULE-7438591135 [1,0,0,0,0,0|2,0,1]=4 249 B6R0.4 CC(C)OCCN MCULE-7614115649 [1,0,0,0,0,0|2,0,1]=4 250 B6R0.4 CC(C)OCCO MCULE-8766149613 [1,0,0,0,0,0|1,0,1]=3 251 B6R0.4 CC(C)SCC#N MCULE-2685282403 [1,0,0,0,0,0|2,0,1]=4 252 B6R0.4 CC(C)SCC=O MCULE-3174965592 [1,0,0,0,0,0|1,0,0]=2 253 B6R0.4 CC(C)SCCCl MCULE-4991548042 [1,0,0,0,0,0|2,0,1]=4 254 B6R0.4 CC(C)SCCN MCULE-2838203545 [1,0,0,0,0,0|2,0,1]=4 255 B6R0.4 CC(C)SCCN MCULE-6551225219 [1,0,0,0,0,0|2,0,1]=4 256 B6R0.4 CC(C)SCCO MCULE-1467015400 [1,0,0,0,0,0|1,0,1]=3 257 B6R0.4 CC(Cl)CCC#N MCULE-2064174419 [1,0,0,0,0,0|2,0,1]=4 258 B6R0.4 CC(Cl)CCCCl MCULE-9382073752 [1,0,0,0,0,0|2,0,1]=4 259 B6R0.4 CC(Cl)CCCO MCULE-2554250532 [1,0,0,0,0,0|1,0,1]=3 260 B6R0.4 CC(N)CCCN MCULE-4857113826 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.4 CC(N)CCCN MCULE-4899798325 [1,0,0,0,0,0|2,0,1]=4 262 B6R0.4 CC(N)CCCO MCULE-6629535696 [1,0,0,0,0,0|1,0,1]=3 263 B6R0.4 CC(O)CCC#N MCULE-6350143710 [1,0,0,0,0,0|2,0,1]=4 264 B6R0.4 CC(O)CCCBr MCULE-5477662754 [1,0,0,0,0,0|2,0,1]=4 265 B6R0.4 CC(O)CCCCl MCULE-6993728810 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.4 CC(O)CCCN MCULE-3754805134 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.4 CC(O)CCCO MCULE-6580326052 [1,0,0,0,0,0|1,0,1]=3 268 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [1,0,0,0,0,0|1,0,2]=4 269 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,0,0,0,0,0|0,0,2]=3 270 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|0,0,2]=3 271 B6R0.4 CC=CCC(C)C MCULE-7145682250 [1,0,0,0,0,0|1,0,1]=3 272 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [1,0,0,0,0,0|1,0,2]=4 273 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,0,0,0,0,0|0,0,2]=3 274 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [1,0,0,0,0,0|1,0,2]=4 275 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [1,0,0,0,0,0|1,0,2]=4 276 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,0,0,0,0,0|0,0,2]=3 277 B6R0.4 CCCC=C(C)C MCULE-2110588796 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.4 CCCCB(O)O MCULE-9002672645 [1,0,0,0,0,0|1,0,1]=3 279 B6R0.4 CCCCC(=N)N MCULE-3271993509 [1,0,0,0,0,0|2,0,0]=3 280 B6R0.4 CCCCC(=N)N MCULE-3935017760 [1,0,0,0,0,0|2,0,0]=3 281 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,0,0,0,0,0|1,0,0]=2 282 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,0,0,0,0,0|1,0,0]=2 283 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,0,0,0,0,0|1,0,0]=2 284 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,0,0,0,0,0|1,0,0]=2 285 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,0,0,0,0|0,0,0]=1 286 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,0,0,0,0,0|0,0,1]=2 287 B6R0.4 CCCCC(=S)N MCULE-8236760762 [1,0,0,0,0,0|1,1,0]=3 288 B6R0.4 CCCCC(C)Br MCULE-3252474574 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.4 CCCCC(C)C MCULE-7568461039 [1,0,0,0,0,0|1,0,1]=3 290 B6R0.4 CCCCC(C)Cl MCULE-4825682003 [1,0,0,0,0,0|2,0,1]=4 291 B6R0.4 CCCCC(C)N MCULE-5349371506 [1,0,0,0,0,0|2,0,1]=4 292 B6R0.4 CCCCC(C)N MCULE-6696490028 [1,0,0,0,0,0|2,0,1]=4 293 B6R0.4 CCCCC(C)O MCULE-6558228722 [1,0,0,0,0,0|1,0,1]=3 294 B6R0.4 CCCCC(C)S MCULE-4791681848 [1,0,0,0,0,0|1,1,1]=4 295 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [1,0,0,0,0,0|1,0,1]=3 296 B6R0.4 CCCCN(C)C MCULE-7202077639 [1,0,0,0,0,0|2,0,1]=4 297 B6R0.4 CCCCN(C)N MCULE-7927159797 [1,0,0,0,0,0|3,0,0]=4 298 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [1,0,0,0,0,0|1,0,1]=3 299 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [1,0,0,0,0,0|1,0,1]=3 300 B6R0.4 CCCC[C@@H](C)N MCULE-2673058676 [1,0,0,0,0,0|2,0,1]=4 301 B6R0.4 CCCC[C@@H](C)N MCULE-7666196055 [1,0,0,0,0,0|2,0,1]=4 302 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [1,0,0,0,0,0|1,0,1]=3 303 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [1,0,0,0,0,0|1,0,1]=3 304 B6R0.4 CCCC[C@H](C)N MCULE-6212068145 [1,0,0,0,0,0|2,0,1]=4 305 B6R0.4 CCCC[C@H](C)N MCULE-7818513999 [1,0,0,0,0,0|2,0,1]=4 306 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [1,0,0,0,0,0|1,0,1]=3 307 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [1,0,0,0,0,0|1,0,1]=3 308 B6R0.4 CCCNC(=N)N MCULE-6381843991 [1,0,0,0,0,0|3,0,0]=4 309 B6R0.4 CCCNC(=N)N MCULE-8286774592 [1,0,0,0,0,0|3,0,0]=4 310 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,0,0,0,0,0|2,0,0]=3 311 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,0,0,0,0,0|2,0,0]=3 312 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,0,0,0,0,0|2,0,0]=3 313 B6R0.4 CCCNC(=S)N MCULE-3142756488 [1,0,0,0,0,0|2,1,0]=4 314 B6R0.4 CCCNC(C)C MCULE-7475023734 [1,0,0,0,0,0|2,0,1]=4 315 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,0,0,0,0,0|2,0,0]=3 316 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,0,0,0,0,0|2,0,0]=3 317 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,0,0,0,0,0|2,0,0]=3 318 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [1,0,0,0,0,0|1,2,0]=4 319 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [1,0,0,0,0,0|1,2,0]=4 320 B6R0.4 CCCON(=O)=O MCULE-3372904250 [1,0,0,0,0,0|2,0,1]=4 321 B6R0.4 CCCSC(=N)N MCULE-4777505658 [1,0,0,0,0,0|3,0,0]=4 322 B6R0.4 CCCSC(=N)N MCULE-8873393921 [1,0,0,0,0,0|3,0,0]=4 323 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,0,0,0,0,0|2,0,0]=3 324 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,0,0,0,0,0|2,0,0]=3 325 B6R0.4 CCCSC(=[NH2+])N MCULE-6759252204 [1,0,0,0,0,0|3,0,0]=4 326 B6R0.4 CCCSC(C)C MCULE-2233656285 [1,0,0,0,0,0|2,0,1]=4 327 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,0,0,0,0,0|2,0,0]=3 328 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,0,0,0,0,0|2,0,0]=3 329 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,0,0,0,0,0|2,0,0]=3 330 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,0,0,0,0,0|2,0,0]=3 331 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,0,0,0,0,0|1,0,0]=2 332 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,0,0,0,0,0|1,0,0]=2 333 B6R0.4 CCNCC(C)C MCULE-1625905125 [1,0,0,0,0,0|2,0,1]=4 334 B6R0.4 CCNCC(C)C MCULE-3527739859 [1,0,0,0,0,0|2,0,1]=4 335 B6R0.4 CCNCC(C)O MCULE-5078068369 [1,0,0,0,0,0|2,0,1]=4 336 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [1,0,0,0,0,0|2,0,1]=4 337 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [1,0,0,0,0,0|2,0,1]=4 338 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [1,0,0,0,0,0|2,0,1]=4 339 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [1,0,0,0,0,0|2,0,1]=4 340 B6R0.4 CCOCC(=N)N MCULE-3232806707 [1,0,0,0,0,0|3,0,0]=4 341 B6R0.4 CCOCC(=N)N MCULE-4996987536 [1,0,0,0,0,0|3,0,0]=4 342 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,0,0,0,0,0|2,0,0]=3 343 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,0,0,0,0,0|2,0,0]=3 344 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,0,0,0,0,0|1,0,0]=2 345 B6R0.4 CCOCC(=S)N MCULE-7064672670 [1,0,0,0,0,0|2,1,0]=4 346 B6R0.4 CCOCC(C)C MCULE-7986128672 [1,0,0,0,0,0|2,0,1]=4 347 B6R0.4 CCOCC(C)O MCULE-6224339526 [1,0,0,0,0,0|2,0,1]=4 348 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [1,0,0,0,0,0|2,0,1]=4 349 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,0,0,0,0,0|2,0,0]=3 350 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,0,0,0,0|1,0,0]=2 351 B6R0.4 CN(C)/C=C/C=O MCULE-2048385164 [1,0,0,0,0,0|1,0,2]=4 352 B6R0.4 CN(C)C=CC=O MCULE-3308636651 [1,0,0,0,0,0|1,0,2]=4 353 B6R0.4 CN(C)CCC#N MCULE-8979604677 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.4 CN(C)CCC=O MCULE-6830649526 [1,0,0,0,0,0|1,0,0]=2 355 B6R0.4 CN(C)CCCBr MCULE-2862944726 [1,0,0,0,0,0|2,0,1]=4 356 B6R0.4 CN(C)CCCBr MCULE-4596026048 [1,0,0,0,0,0|2,0,1]=4 357 B6R0.4 CN(C)CCCBr MCULE-7515880350 [1,0,0,0,0,0|2,0,1]=4 358 B6R0.4 CN(C)CCCCl MCULE-1347366200 [1,0,0,0,0,0|2,0,1]=4 359 B6R0.4 CN(C)CCCCl MCULE-3767329555 [1,0,0,0,0,0|2,0,1]=4 360 B6R0.4 CN(C)CCCI MCULE-2134226049 [1,0,0,0,0,0|2,0,1]=4 361 B6R0.4 CN(C)CCCI MCULE-2999516061 [1,0,0,0,0,0|2,0,1]=4 362 B6R0.4 CN(C)CCCN MCULE-3882436382 [1,0,0,0,0,0|2,0,1]=4 363 B6R0.4 CN(C)CCCN MCULE-4415270662 [1,0,0,0,0,0|2,0,1]=4 364 B6R0.4 CN(C)CCCN MCULE-4624916051 [1,0,0,0,0,0|2,0,1]=4 365 B6R0.4 CN(C)CCCN MCULE-4749435878 [1,0,0,0,0,0|2,0,1]=4 366 B6R0.4 CN(C)CCCN MCULE-9301668058 [1,0,0,0,0,0|2,0,1]=4 367 B6R0.4 CN(C)CCCO MCULE-7408728427 [1,0,0,0,0,0|1,0,1]=3 368 B6R0.4 CN(C)CCCS MCULE-7945161812 [1,0,0,0,0,0|1,1,1]=4 369 B6R0.4 CN(C)CCNN MCULE-5321668174 [1,0,0,0,0,0|3,0,0]=4 370 B6R0.4 CN(C)CCNN MCULE-6578987911 [1,0,0,0,0,0|3,0,0]=4 371 B6R0.4 CN(C)CCON MCULE-1981169712 [1,0,0,0,0,0|3,0,0]=4 372 B6R0.4 CN(C)CCON MCULE-6706970282 [1,0,0,0,0,0|3,0,0]=4 373 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,0,0,0,0,0|2,0,0]=3 374 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,0,0,0,0,0|2,0,0]=3 375 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,0,0,0,0,0|1,0,0]=2 376 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,0,0,0,0,0|1,0,0]=2 377 B6R0.4 CNCCC(C)C MCULE-3679914556 [1,0,0,0,0,0|2,0,0]=3 378 B6R0.4 CNCCC(C)C MCULE-9679972004 [1,0,0,0,0,0|2,0,0]=3 379 B6R0.4 CNCCC(C)N MCULE-5955505029 [1,0,0,0,0,0|3,0,0]=4 380 B6R0.4 CNCCC(C)N MCULE-8933967952 [1,0,0,0,0,0|3,0,0]=4 381 B6R0.4 CNCCC(C)O MCULE-1615526002 [1,0,0,0,0,0|2,0,1]=4 382 B6R0.4 CNCCN(C)C MCULE-3324857553 [1,0,0,0,0,0|3,0,0]=4 383 B6R0.4 CNCCN(C)C MCULE-8014008412 [1,0,0,0,0,0|3,0,0]=4 384 B6R0.4 CNCCN(C)C MCULE-9954339750 [1,0,0,0,0,0|3,0,0]=4 385 B6R0.4 CNCC[C@@H](C)N MCULE-6024494304 [1,0,0,0,0,0|3,0,0]=4 386 B6R0.4 CNCC[C@H](C)N MCULE-5449372796 [1,0,0,0,0,0|3,0,0]=4 387 B6R0.4 CNCC[C@H](C)N MCULE-8157402351 [1,0,0,0,0,0|3,0,0]=4 388 B6R0.4 CNOCC(C)C MCULE-4779196887 [1,0,0,0,0,0|3,0,0]=4 389 B6R0.4 CNOCC(C)C MCULE-7320343096 [1,0,0,0,0,0|3,0,0]=4 390 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,0,0,0,0,0|1,0,2]=4 391 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,0,0,0,0,0|1,0,2]=4 392 B6R0.4 COCCC(=N)N MCULE-8118559492 [1,0,0,0,0,0|3,0,0]=4 393 B6R0.4 COCCC(=N)N MCULE-9000138086 [1,0,0,0,0,0|3,0,0]=4 394 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,0,0,0,0,0|2,0,0]=3 395 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,0,0,0,0,0|2,0,0]=3 396 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,0,0,0,0,0|2,0,0]=3 397 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,0,0,0,0,0|1,0,0]=2 398 B6R0.4 COCCC(C)Br MCULE-6529807745 [1,0,0,0,0,0|3,0,0]=4 399 B6R0.4 COCCC(C)C MCULE-8727768886 [1,0,0,0,0,0|2,0,0]=3 400 B6R0.4 COCCC(C)N MCULE-6183216923 [1,0,0,0,0,0|3,0,0]=4 401 B6R0.4 COCCC(C)O MCULE-6536001437 [1,0,0,0,0,0|2,0,1]=4 402 B6R0.4 COCCN(C)C MCULE-5323166567 [1,0,0,0,0,0|3,0,0]=4 403 B6R0.4 COCC[C@H](C)N MCULE-6163336851 [1,0,0,0,0,0|3,0,0]=4 404 B6R0.4 COCC[C@H](C)N MCULE-6363449253 [1,0,0,0,0,0|3,0,0]=4 405 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,0,0,0,0,0|3,0,0]=4 406 B6R0.4 COCOC(=O)C MCULE-8876091916 [1,0,0,0,0,0|3,0,0]=4 407 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,0,0,0,0,0|2,0,1]=4 408 B6R0.4 CS(=O)CCCN MCULE-1124989526 [1,0,0,0,0,0|3,0,0]=4 409 B6R0.4 CS(=O)CCCN MCULE-8758903495 [1,0,0,0,0,0|3,0,0]=4 410 B6R0.4 CSCCC(=N)N MCULE-3926353306 [1,0,0,0,0,0|3,0,0]=4 411 B6R0.4 CSCCC(=N)N MCULE-4451485733 [1,0,0,0,0,0|3,0,0]=4 412 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,0,0,0,0,0|2,0,0]=3 413 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,0,0,0,0,0|2,0,0]=3 414 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,0,0,0,0,0|2,0,0]=3 415 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,0,0,0,0,0|1,0,0]=2 416 B6R0.4 CSCCC(C)N MCULE-3925048385 [1,0,0,0,0,0|3,0,0]=4 417 B6R0.4 CSCCC(C)O MCULE-5934844952 [1,0,0,0,0,0|2,0,1]=4 418 B6R0.4 CSCCN(C)C MCULE-2148124964 [1,0,0,0,0,0|3,0,0]=4 419 B6R0.4 CSCCN(C)C MCULE-5176242697 [1,0,0,0,0,0|3,0,0]=4 420 B6R0.4 CSCOC(=O)C MCULE-1498769347 [1,0,0,0,0,0|3,0,0]=4 421 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,0,0,0,0,0|2,0,0]=3 422 B6R0.4 C[C@@H](N)CCCO MCULE-8313291415 [1,0,0,0,0,0|1,0,1]=3 423 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [1,0,0,0,0,0|1,0,1]=3 424 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,0,0,0,0,0|1,0,1]=3 425 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,0,0,0,0,0|2,0,1]=4 426 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,0,0,0,0,0|3,0,0]=4 427 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,0,0,0,0,0|2,0,0]=3 428 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,0,0,0,0,0|2,0,0]=3 429 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,0,0,0,0,0|3,0,0]=4 430 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,0,0,0,0,0|3,0,0]=4 431 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,0,0,0,0,0|3,0,0]=4 432 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,0,0,0,0,0|3,0,0]=4 433 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,0,0,0,0,0|3,0,0]=4 434 B6R0.4 NC(=S)CCCO MCULE-8951145487 [1,0,0,0,0,0|2,1,0]=4 435 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,0,0,0,0,0|1,0,2]=4 436 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [1,0,0,0,0,0|1,0,2]=4 437 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,0,0,0,0,0|1,0,2]=4 438 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,0,0,0,0,0|1,0,2]=4 439 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,0,0,0,0,0|2,0,0]=3 440 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,0,0,0,0,0|2,0,0]=3 441 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,0,0,0,0,0|2,0,0]=3 442 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,0,0,0,0,0|2,0,0]=3 443 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,0,0,0,0,0|1,0,0]=2 444 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,0,0,0,0,0|1,0,0]=2 445 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,0,0,0,0,0|3,0,0]=4 446 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,0,0,0,0,0|3,0,0]=4 447 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,0,0,0,0,0|3,0,0]=4 448 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,0,0,0,0,0|3,0,0]=4 449 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,0,0,0,0,0|3,0,0]=4 450 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,0,0,0,0,0|2,0,0]=3 451 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,0,0,0,0,0|2,0,0]=3 452 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,0,0,0,0,0|2,0,0]=3 453 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,0,0,0,0,0|2,0,0]=3 454 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [1,0,0,0,0,0|3,0,0]=4 455 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [1,0,0,0,0,0|3,0,0]=4 456 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [1,0,0,0,0,0|3,0,0]=4 457 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,0,0,0,0,0|1,0,2]=4 458 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,0,0,0,0,0|1,0,2]=4 459 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,0,0,0,0,0|1,0,2]=4 460 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [1,0,0,0,0,0|1,0,2]=4 461 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [1,0,0,0,0,0|1,0,2]=4 462 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [1,0,0,0,0,0|1,0,2]=4 463 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,0,0,0,0,0|1,0,2]=4 464 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,0,0,0,0,0|1,0,2]=4 465 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,0,0,0,0,0|1,0,2]=4 466 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,0,0,0,0,0|1,0,0]=2 467 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,0,0,0,0,0|1,0,0]=2 468 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,0,0,0,0,0|1,0,0]=2 469 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,0,0,0,0,0|1,0,0]=2 470 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,0,0,0,0,0|1,0,0]=2 471 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,0,0,0,0,0|2,0,0]=3 472 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,0,0,0,0,0|1,0,1]=3 473 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,0,0,0,0,0|2,0,1]=4 474 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,0,0,0,0|1,0,1]=3 475 B6R0.4 O=CCCC(F)F MCULE-4743402824 [1,0,0,0,0,0|2,0,0]=3 476 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [1,0,0,0,0,0|3,0,0]=4 477 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,0,0,0,0,0|2,0,1]=4 478 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [1,0,0,0,0,0|2,0,1]=4 479 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [1,0,0,0,0,0|2,0,1]=4 480 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [1,0,0,0,0,0|2,0,1]=4 481 B6R0.4 OCCCC(F)F MCULE-2972867290 [1,0,0,0,0,0|2,0,1]=4 482 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [1,0,0,0,0,0|2,0,1]=4 483 B8R0.9 C/C(=N\O)/CCC(C)C MCULE-6160318624 [0,1,0,0,0,0|1,0,0]=2 484 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,1,0,0,0,0|0,0,3]=4 485 B8R0.9 C=CC(=O)NCC(C)O MCULE-7092700588 [0,1,0,0,0,0|3,0,0]=4 486 B8R0.9 C=CC(=O)OCC(C)C MCULE-9738172155 [0,1,0,0,0,0|2,0,0]=3 487 B8R0.9 C=CC(=O)OCC(C)O MCULE-5600840983 [0,1,0,0,0,0|3,0,0]=4 488 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,1,0,0,0,0|1,0,1]=3 489 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,1,0,0,0,0|1,0,1]=3 490 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,1,0,0,0,0|1,0,1]=3 491 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,1,0,0,0,0|1,0,1]=3 492 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,1,0,0,0,0|1,0,1]=3 493 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,1,0,0,0,0|1,0,1]=3 494 B8R0.9 CC(=NO)CCC(C)C MCULE-1275882348 [0,1,0,0,0,0|1,0,0]=2 495 B8R0.9 CC(=O)CCN(C)N=O MCULE-9992314796 [0,1,0,0,0,0|3,0,0]=4 496 B8R0.9 CC(=O)NCC(C)CN MCULE-6305271563 [0,1,0,0,0,0|2,0,0]=3 497 B8R0.9 CC(=O)NCC(O)CCl MCULE-4912177314 [0,1,0,0,0,0|3,0,0]=4 498 B8R0.9 CC(=O)NC[C@H](O)CCl MCULE-5027407972 [0,1,0,0,0,0|3,0,0]=4 499 B8R0.9 CC(=O)OCC(C)CBr MCULE-5776578434 [0,1,0,0,0,0|2,0,0]=3 500 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [0,1,0,0,0,0|3,0,0]=4 501 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [0,1,0,0,0,0|3,0,0]=4 502 B8R0.9 CC(=O)OCC(O)CCl MCULE-3591995437 [0,1,0,0,0,0|3,0,0]=4 503 B8R0.9 CC(=O)OCC(O)CO MCULE-7518673015 [0,1,0,0,0,0|3,0,0]=4 504 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-2650760220 [0,1,0,0,0,0|2,0,0]=3 505 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-7616916740 [0,1,0,0,0,0|2,0,0]=3 506 B8R0.9 CC(=O)SCC(C)CCl MCULE-2266172098 [0,1,0,0,0,0|2,0,0]=3 507 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [0,1,0,0,0,0|0,0,1]=2 508 B8R0.9 CC(C)CC/C(=N/O)/N MCULE-5971141379 [0,1,0,0,0,0|1,0,0]=2 509 B8R0.9 CC(C)CCC(=O)CCl MCULE-7122163926 [0,1,0,0,0,0|1,0,0]=2 510 B8R0.9 CC(C)CCC(=O)CN MCULE-2601333978 [0,1,0,0,0,0|1,0,0]=2 511 B8R0.9 CC(C)CCC(=O)CN MCULE-9600279855 [0,1,0,0,0,0|1,0,0]=2 512 B8R0.9 CC(C)CCC(C)CO MCULE-8698383870 [0,1,0,0,0,0|1,0,1]=3 513 B8R0.9 CC(C)CCC(N)CO MCULE-1841093348 [0,1,0,0,0,0|1,0,1]=3 514 B8R0.9 CC(C)CCC(N)CO MCULE-6322500554 [0,1,0,0,0,0|1,0,1]=3 515 B8R0.9 CC(C)CNC(=O)CBr MCULE-8912739616 [0,1,0,0,0,0|2,0,0]=3 516 B8R0.9 CC(C)CNC(=O)CCl MCULE-6480983342 [0,1,0,0,0,0|2,0,0]=3 517 B8R0.9 CC(C)CNC(=O)CN MCULE-3593523223 [0,1,0,0,0,0|2,0,0]=3 518 B8R0.9 CC(C)CNC(=O)CN MCULE-9338504001 [0,1,0,0,0,0|2,0,0]=3 519 B8R0.9 CC(C)COC(=O)CBr MCULE-3596274514 [0,1,0,0,0,0|2,0,0]=3 520 B8R0.9 CC(C)COC(=O)CCl MCULE-8531893041 [0,1,0,0,0,0|2,0,0]=3 521 B8R0.9 CC(C)COC(=O)CS MCULE-6380142851 [0,1,0,0,0,0|1,1,0]=3 522 B8R0.9 CC(C)COC(C)CO MCULE-5746553586 [0,1,0,0,0,0|2,0,1]=4 523 B8R0.9 CC(C)NCC(O)CO MCULE-6111772035 [0,1,0,0,0,0|1,0,2]=4 524 B8R0.9 CC(C)NC[C@@H](O)CO MCULE-2239468159 [0,1,0,0,0,0|1,0,2]=4 525 B8R0.9 CC(C)NC[C@@H](O)CO MCULE-7993975282 [0,1,0,0,0,0|1,0,2]=4 526 B8R0.9 CC(C)NC[C@H](O)CO MCULE-3918662429 [0,1,0,0,0,0|1,0,2]=4 527 B8R0.9 CC(C)NC[C@H](O)CO MCULE-5916462695 [0,1,0,0,0,0|1,0,2]=4 528 B8R0.9 CC(C)OC/C(=N/O)/N MCULE-2973132767 [0,1,0,0,0,0|2,0,0]=3 529 B8R0.9 CC(C)OC=C(Br)C=O MCULE-2335632403 [0,1,0,0,0,0|2,0,1]=4 530 B8R0.9 CC(C)OCC(=O)NN MCULE-1756553014 [0,1,0,0,0,0|2,0,0]=3 531 B8R0.9 CC(C)OCC(=O)NN MCULE-4596563241 [0,1,0,0,0,0|2,0,0]=3 532 B8R0.9 CC(C)OCC(O)CCl MCULE-4441637540 [0,1,0,0,0,0|2,0,1]=4 533 B8R0.9 CC(C)OCC(O)CI MCULE-7852993488 [0,1,0,0,0,0|2,0,1]=4 534 B8R0.9 CC(C)OCC(O)CN MCULE-4268894257 [0,1,0,0,0,0|2,0,1]=4 535 B8R0.9 CC(CCl)CCC(=O)Cl MCULE-3716923938 [0,1,0,0,0,0|1,0,0]=2 536 B8R0.9 CC(Cl)CNC(=O)CCl MCULE-1131103741 [0,1,0,0,0,0|3,0,0]=4 537 B8R0.9 CC(O)CCC(=O)NN MCULE-3743680204 [0,1,0,0,0,0|2,0,0]=3 538 B8R0.9 CC(O)CNC(C)CO MCULE-6157391749 [0,1,0,0,0,0|2,0,1]=4 539 B8R0.9 CC(O)COC(C)CO MCULE-7544702364 [0,1,0,0,0,0|2,0,1]=4 540 B8R0.9 CC=C(C)C=CC(=O)O MCULE-4818681786 [0,1,0,0,0,0|0,0,3]=4 541 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,1,0,0,0,0|0,0,2]=3 542 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [0,1,0,0,0,0|2,0,1]=4 543 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,1,0,0,0,0|1,0,1]=3 544 B8R0.9 CCC(=O)CCC(C)C MCULE-3065298823 [0,1,0,0,0,0|1,0,0]=2 545 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,1,0,0,0,0|2,0,1]=4 546 B8R0.9 CCC(=O)NCC(C)C MCULE-3079187120 [0,1,0,0,0,0|2,0,0]=3 547 B8R0.9 CCC(=O)OCC(C)Br MCULE-7344958033 [0,1,0,0,0,0|3,0,0]=4 548 B8R0.9 CCC(=O)OCC(C)C MCULE-4196106578 [0,1,0,0,0,0|2,0,0]=3 549 B8R0.9 CCC(C)CCC(=O)C MCULE-6498666006 [0,1,0,0,0,0|1,0,0]=2 550 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,1,0,0,0,0|0,0,0]=1 551 B8R0.9 CCC(C)CCC(C)O MCULE-4781356880 [0,1,0,0,0,0|1,0,1]=3 552 B8R0.9 CCC(C)COC(=O)C MCULE-1846190306 [0,1,0,0,0,0|2,0,0]=3 553 B8R0.9 CCC(C)COC(=O)Cl MCULE-7986633908 [0,1,0,0,0,0|2,0,0]=3 554 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,1,0,0,0,0|1,0,0]=2 555 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,1,0,0,0,0|1,0,0]=2 556 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,1,0,0,0,0|1,0,0]=2 557 B8R0.9 CCC(Cl)CCC(=O)Cl MCULE-3849391288 [0,1,0,0,0,0|2,0,0]=3 558 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,1,0,0,0,0|1,0,0]=2 559 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,1,0,0,0,0|1,0,0]=2 560 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,1,0,0,0,0|1,0,0]=2 561 B8R0.9 CCC(O)CCC(=O)[O-] MCULE-6831827135 [0,1,0,0,0,0|1,0,1]=3 562 B8R0.9 CCC(O)CCC(C)C MCULE-6499043854 [0,1,0,0,0,0|1,0,1]=3 563 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,1,0,0,0,0|1,0,0]=2 564 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,1,0,0,0,0|1,0,0]=2 565 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,1,0,0,0,0|2,0,0]=3 566 B8R0.9 CC[C@H](N)C=CC(=O)O MCULE-8933495159 [0,1,0,0,0,0|1,0,2]=4 567 B8R0.9 CN(C)CCC(=N)NO MCULE-1944835368 [0,1,0,0,0,0|2,0,0]=3 568 B8R0.9 CN(C)CCC(=O)NN MCULE-5716266931 [0,1,0,0,0,0|2,0,0]=3 569 B8R0.9 CN(C)CCN(C)C=O MCULE-3548074867 [0,1,0,0,0,0|3,0,0]=4 570 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,1,0,0,0,0|1,0,1]=3 571 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,1,0,0,0,0|2,0,1]=4 572 B8R0.9 COC(=O)/C=C/C(C)C MCULE-3160224452 [0,1,0,0,0,0|0,0,2]=3 573 B8R0.9 COC(=O)/C=C/N(C)C MCULE-2402483726 [0,1,0,0,0,0|1,0,2]=4 574 B8R0.9 COC(=O)/N=C/N(C)C MCULE-3421193223 [0,1,0,0,0,0|2,0,1]=4 575 B8R0.9 COC(=O)C=CC(C)C MCULE-8333658639 [0,1,0,0,0,0|0,0,2]=3 576 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [0,1,0,0,0,0|1,0,1]=3 577 B8R0.9 COC(=O)CCC(=O)Cl MCULE-2684320402 [0,1,0,0,0,0|2,0,1]=4 578 B8R0.9 COC(=O)CCC(=O)N MCULE-1154081515 [0,1,0,0,0,0|2,0,1]=4 579 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,1,0,0,0,0|1,0,1]=3 580 B8R0.9 COC(=O)CCC(=S)N MCULE-4037707510 [0,1,0,0,0,0|2,0,1]=4 581 B8R0.9 COC(=O)CCC(F)F MCULE-4602374642 [0,1,0,0,0,0|2,0,0]=3 582 B8R0.9 COC(=O)CCN(=O)=O MCULE-3836108700 [0,1,0,0,0,0|3,0,0]=4 583 B8R0.9 COC(=O)CCN(C)C MCULE-5967397518 [0,1,0,0,0,0|1,0,0]=2 584 B8R0.9 COC(=O)CCS(=O)O MCULE-4935012562 [0,1,0,0,0,0|2,0,1]=4 585 B8R0.9 COC(=O)CCS(=O)[O-] MCULE-5802411922 [0,1,0,0,0,0|3,0,0]=4 586 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [0,1,0,0,0,0|2,0,1]=4 587 B8R0.9 COC(=O)CNC(C)C MCULE-7232154394 [0,1,0,0,0,0|1,0,0]=2 588 B8R0.9 COC(=O)COC(C)C MCULE-8327092817 [0,1,0,0,0,0|1,0,0]=2 589 B8R0.9 COC(=O)COC(Cl)Cl MCULE-8466265912 [0,1,0,0,0,0|3,0,0]=4 590 B8R0.9 COC(=O)CSC(C)C MCULE-9054714022 [0,1,0,0,0,0|1,0,0]=2 591 B8R0.9 COC(=O)N=CN(C)C MCULE-5824976694 [0,1,0,0,0,0|2,0,1]=4 592 B8R0.9 COC(=O)NCC(=O)C MCULE-1043877696 [0,1,0,0,0,0|2,0,1]=4 593 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,1,0,0,0,0|2,0,1]=4 594 B8R0.9 COC(=O)NCC(C)O MCULE-3862167665 [0,1,0,0,0,0|2,0,0]=3 595 B8R0.9 COC(=O)OCC(F)F MCULE-9403543035 [0,1,0,0,0,0|3,0,0]=4 596 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,1,0,0,0,0|0,0,0]=1 597 B8R0.9 COC(C)CNC(C)C MCULE-3693477371 [0,1,0,0,0,0|2,0,1]=4 598 B8R0.9 COC(C)COC(=O)C MCULE-7948047479 [0,1,0,0,0,0|2,0,0]=3 599 B8R0.9 COC(C)OCC(C)C MCULE-2144427762 [0,1,0,0,0,0|2,0,1]=4 600 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [0,1,0,0,0,0|0,0,0]=1 601 B8R0.9 C[C@@H](CO)CC[N+](=O)[O-] MCULE-1706050650 [0,1,0,0,0,0|1,0,1]=3 602 B8R0.9 C[C@@H](CO)CC[N+](=O)[O-] MCULE-8419848254 [0,1,0,0,0,0|1,0,1]=3 603 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,1,0,0,0,0|1,0,1]=3 604 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,1,0,0,0,0|1,0,1]=3 605 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,1,0,0,0,0|1,0,1]=3 606 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,1,0,0,0,0|2,0,1]=4 607 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,1,0,0,0,0|2,0,1]=4 608 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,1,0,0,0,0|1,0,0]=2 609 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,1,0,0,0,0|1,0,0]=2 610 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,1,0,0,0,0|1,0,0]=2 611 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,1,0,0,0,0|2,0,1]=4 612 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,1,0,0,0,0|2,0,1]=4 613 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,1,0,0,0,0|1,0,0]=2 614 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,1,0,0,0,0|1,0,0]=2 615 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,1,0,0,0,0|1,0,1]=3 616 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [0,1,0,0,0,0|2,0,1]=4 617 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,1,0,0,0,0|2,0,0]=3 618 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,1,0,0,0,0|2,0,1]=4 619 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,1,0,0,0,0|2,0,1]=4 620 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [0,1,0,0,0,0|0,0,0]=1 621 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,1,0,0,0,0|2,0,0]=3 622 B8R0.23 C/C(=C\C(C)C)/C(=O)O MCULE-7989780609 [0,1,0,0,0,0|0,0,2]=3 623 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,1,0,0,0,0|1,0,2]=4 624 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,1,0,0,0,0|1,0,2]=4 625 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,1,0,0,0,0|1,0,2]=4 626 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,1,0,0,0,0|1,0,2]=4 627 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,1,0,0,0,0|1,0,2]=4 628 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,0,0|0,0,2]=3 629 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,1,0,0,0,0|0,0,2]=3 630 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,1,0,0,0,0|0,0,2]=3 631 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,1,0,0,0,0|0,0,2]=3 632 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,1,0,0,0,0|0,0,2]=3 633 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,1,0,0,0,0|0,0,2]=3 634 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,1,0,0,0,0|0,0,2]=3 635 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,1,0,0,0,0|0,0,2]=3 636 B8R0.23 C=C(CC(C)C)C(=O)C MCULE-3118173847 [0,1,0,0,0,0|1,0,1]=3 637 B8R0.23 C=C(CC(C)C)C(=O)O MCULE-5929811654 [0,1,0,0,0,0|0,0,1]=2 638 B8R0.23 C=C(CN(C)C)C(=O)O MCULE-9526642183 [0,1,0,0,0,0|1,0,1]=3 639 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,1,0,0,0,0|1,0,2]=4 640 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,1,0,0,0,0|1,0,2]=4 641 B8R0.23 CC(=CC(=O)O)C(C)C MCULE-3448393194 [0,1,0,0,0,0|0,0,2]=3 642 B8R0.23 CC(=O)C(=O)CC(C)C MCULE-9490612135 [0,1,0,0,0,0|1,0,1]=3 643 B8R0.23 CC(=O)C(=O)OC(C)C MCULE-5022020155 [0,1,0,0,0,0|2,0,1]=4 644 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,0,0|1,0,1]=3 645 B8R0.23 CC(=O)C(C)CC(C)C MCULE-9956513410 [0,1,0,0,0,0|1,0,0]=2 646 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,0|1,0,1]=3 647 B8R0.23 CC(=O)C(N)CC(C)C MCULE-2548441556 [0,1,0,0,0,0|1,0,0]=2 648 B8R0.23 CC(=O)CC(=O)C(C)C MCULE-9885161576 [0,1,0,0,0,0|1,0,1]=3 649 B8R0.23 CC(=O)CC(=O)N(C)C MCULE-7573334456 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,0,0|1,0,1]=3 651 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,1,0,0,0,0|1,0,1]=3 652 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,1,0,0,0,0|1,0,1]=3 653 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,1,0,0,0,0|2,0,1]=4 654 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,0,0|1,0,1]=3 655 B8R0.23 CC(=O)CC(O)[C@H](C)N MCULE-3417979643 [0,1,0,0,0,0|2,0,0]=3 656 B8R0.23 CC(=O)CN(C)C(C)C MCULE-2905536744 [0,1,0,0,0,0|2,0,0]=3 657 B8R0.23 CC(=O)CN(C)C(C)C MCULE-7902012708 [0,1,0,0,0,0|2,0,0]=3 658 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,0,0|2,0,1]=4 659 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,1,0,0,0,0|2,0,1]=4 660 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,1,0,0,0,0|2,0,1]=4 662 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,1,0,0,0,0|2,0,1]=4 663 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,1,0,0,0,0|2,0,1]=4 664 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,1,0,0,0,0|2,0,1]=4 665 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,1,0,0,0,0|2,0,1]=4 666 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,1,0,0,0,0|2,0,1]=4 667 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,1,0,0,0,0|2,0,1]=4 668 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,1,0,0,0,0|2,0,1]=4 669 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,1,0,0,0,0|2,0,1]=4 671 B8R0.23 CC(C)C(=CC(=O)N)N MCULE-8136000309 [0,1,0,0,0,0|1,0,2]=4 672 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [0,1,0,0,0,0|0,0,1]=2 673 B8R0.23 CC(C)C(=O)CC(=O)[O-] MCULE-3398588107 [0,1,0,0,0,0|0,0,2]=3 674 B8R0.23 CC(C)C(=O)CN(=O)=O MCULE-4209922031 [0,1,0,0,0,0|1,0,2]=4 675 B8R0.23 CC(C)C(=O)NC(=O)N MCULE-6394527783 [0,1,0,0,0,0|2,0,1]=4 676 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [0,1,0,0,0,0|0,0,0]=1 677 B8R0.23 CC(C)C(Cl)OC(=O)Cl MCULE-5733683700 [0,1,0,0,0,0|2,0,0]=3 678 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,1,0,0,0,0|0,0,0]=1 679 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,1,0,0,0,0|0,0,0]=1 680 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,1,0,0,0,0|0,0,0]=1 681 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,1,0,0,0,0|0,0,0]=1 682 B8R0.23 CC(C)C(N)CN(C)C MCULE-5094855086 [0,1,0,0,0,0|3,0,0]=4 683 B8R0.23 CC(C)C(N)CN(C)C MCULE-5820692384 [0,1,0,0,0,0|3,0,0]=4 684 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,1,0,0,0,0|0,0,0]=1 685 B8R0.23 CC(C)C(O)CN(=O)=O MCULE-7181992102 [0,1,0,0,0,0|1,0,1]=3 686 B8R0.23 CC(C)C(O)CN(C)C MCULE-1527218492 [0,1,0,0,0,0|3,0,0]=4 687 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [0,1,0,0,0,0|0,0,1]=2 688 B8R0.23 CC(C)CC(=O)C(=O)[O-] MCULE-1379368650 [0,1,0,0,0,0|0,0,2]=3 689 B8R0.23 CC(C)CC(=O)C(=O)[O-] MCULE-8698784345 [0,1,0,0,0,0|0,0,2]=3 690 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [0,1,0,0,0,0|0,0,0]=1 691 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [0,1,0,0,0,0|0,0,0]=1 692 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [0,1,0,0,0,0|0,0,0]=1 693 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [0,1,0,0,0,0|0,0,0]=1 694 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [0,1,0,0,0,0|0,0,0]=1 695 B8R0.23 CC(C)CC(N)C(=O)N MCULE-8974870406 [0,1,0,0,0,0|1,0,0]=2 696 B8R0.23 CC(C)CC(N)C(=O)N MCULE-9193295179 [0,1,0,0,0,0|1,0,0]=2 697 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [0,1,0,0,0,0|0,0,0]=1 698 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [0,1,0,0,0,0|0,0,0]=1 699 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [0,1,0,0,0,0|0,0,0]=1 700 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [0,1,0,0,0,0|0,0,0]=1 701 B8R0.23 CC(C)CC(O)C(C)C MCULE-6929077589 [0,1,0,0,0,0|2,0,1]=4 702 B8R0.23 CC(C)CC(O)C(C)N MCULE-5726380235 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.23 CC(C)CN(C)C(=O)Cl MCULE-8402254804 [0,1,0,0,0,0|2,0,0]=3 704 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [0,1,0,0,0,0|0,0,0]=1 705 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [0,1,0,0,0,0|0,0,0]=1 706 B8R0.23 CC(C)C[C@@H](N)C(=O)N MCULE-6195005494 [0,1,0,0,0,0|1,0,0]=2 707 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [0,1,0,0,0,0|0,0,0]=1 708 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [0,1,0,0,0,0|0,0,0]=1 709 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [0,1,0,0,0,0|0,0,0]=1 710 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [0,1,0,0,0,0|0,0,0]=1 711 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [0,1,0,0,0,0|0,0,0]=1 712 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [0,1,0,0,0,0|0,0,0]=1 713 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [0,1,0,0,0,0|0,0,0]=1 714 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [0,1,0,0,0,0|0,0,0]=1 715 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-3907393760 [0,1,0,0,0,0|1,0,0]=2 716 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-5393472198 [0,1,0,0,0,0|1,0,0]=2 717 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-7425207205 [0,1,0,0,0,0|1,0,0]=2 718 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-8093463847 [0,1,0,0,0,0|1,0,0]=2 719 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [0,1,0,0,0,0|0,0,0]=1 720 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [0,1,0,0,0,0|0,0,0]=1 721 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [0,1,0,0,0,0|0,0,0]=1 722 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [0,1,0,0,0,0|0,0,0]=1 723 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [0,1,0,0,0,0|0,0,0]=1 724 B8R0.23 CC(C)N(C)CC(=O)O MCULE-7118433089 [0,1,0,0,0,0|1,0,0]=2 725 B8R0.23 CC(C)N(C)CC(=O)O MCULE-8801372857 [0,1,0,0,0,0|1,0,0]=2 726 B8R0.23 CC(C)NC(=O)C(=O)O MCULE-3351257571 [0,1,0,0,0,0|1,0,1]=3 727 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [0,1,0,0,0,0|1,0,0]=2 728 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [0,1,0,0,0,0|1,0,0]=2 729 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [0,1,0,0,0,0|1,0,0]=2 730 B8R0.23 CC(C)OC(C)C(=O)[O-] MCULE-2169564496 [0,1,0,0,0,0|1,0,1]=3 731 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [0,1,0,0,0,0|1,0,0]=2 732 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,1,0,0,0,0|0,0,0]=1 733 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,1,0,0,0,0|0,0,0]=1 734 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,1,0,0,0,0|0,0,0]=1 735 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,1,0,0,0,0|0,0,0]=1 736 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,1,0,0,0,0|0,0,0]=1 737 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,1,0,0,0,0|0,0,0]=1 738 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,1,0,0,0,0|0,0,0]=1 739 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,1,0,0,0,0|0,0,0]=1 740 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,1,0,0,0,0|0,0,0]=1 741 B8R0.23 CC(C)[C@H](N)CN(C)C MCULE-3125045887 [0,1,0,0,0,0|3,0,0]=4 742 B8R0.23 CC(C)[C@H](N)CN(C)C MCULE-4682777510 [0,1,0,0,0,0|3,0,0]=4 743 B8R0.23 CC(C)[C@H](N)CN(C)C MCULE-5992134032 [0,1,0,0,0,0|3,0,0]=4 744 B8R0.23 CC(C)[C@H](N)CN(C)C MCULE-8803088259 [0,1,0,0,0,0|3,0,0]=4 745 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,1,0,0,0,0|2,0,1]=4 746 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,1,0,0,0,0|2,0,1]=4 747 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,1,0,0,0,0|2,0,1]=4 748 B8R0.23 CC(CC(=O)O)C(F)F MCULE-1349015136 [0,1,0,0,0,0|2,0,0]=3 749 B8R0.23 CC(CC(=O)O)N(C)C MCULE-5382425068 [0,1,0,0,0,0|1,0,0]=2 750 B8R0.23 CC(CC(=O)O)N(C)C MCULE-9798996642 [0,1,0,0,0,0|1,0,0]=2 751 B8R0.23 CC(CC(F)F)C(=O)O MCULE-2211206695 [0,1,0,0,0,0|2,0,0]=3 752 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [0,1,0,0,0,0|1,0,0]=2 753 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [0,1,0,0,0,0|1,0,0]=2 754 B8R0.23 CC(CN(C)C)N(=O)=O MCULE-6268138664 [0,1,0,0,0,0|2,0,1]=4 755 B8R0.23 CC(CN(C)C)N(=O)=O MCULE-7752766432 [0,1,0,0,0,0|2,0,1]=4 756 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,1,0,0,0,0|2,0,0]=3 757 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,1,0,0,0,0|1,0,0]=2 758 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,1,0,0,0,0|1,0,0]=2 759 B8R0.23 CC(O)CC(O)C(C)C MCULE-5906290473 [0,1,0,0,0,0|1,0,1]=3 760 B8R0.23 CN(C)C(=O)CC(=O)N MCULE-1957054841 [0,1,0,0,0,0|2,0,1]=4 761 B8R0.23 CN(C)C(=O)CC(=O)O MCULE-6715213324 [0,1,0,0,0,0|1,0,1]=3 762 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [0,1,0,0,0,0|1,0,0]=2 763 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [0,1,0,0,0,0|1,0,0]=2 764 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [0,1,0,0,0,0|1,0,0]=2 765 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [0,1,0,0,0,0|1,0,0]=2 766 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [0,1,0,0,0,0|1,0,0]=2 767 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [0,1,0,0,0,0|1,0,0]=2 768 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [0,1,0,0,0,0|1,0,0]=2 769 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [0,1,0,0,0,0|1,0,0]=2 770 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [0,1,0,0,0,0|1,0,0]=2 771 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,1,0,0,0,0|2,0,0]=3 772 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,1,0,0,0,0|2,0,0]=3 773 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,1,0,0,0,0|2,0,0]=3 774 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,1,0,0,0,0|2,0,1]=4 776 B8R0.23 C[C@@H](CC(=O)O)N(C)C MCULE-7203350382 [0,1,0,0,0,0|1,0,0]=2 777 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,1,0,0,0,0|1,0,0]=2 778 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,1,0,0,0,0|1,0,0]=2 779 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,1,0,0,0,0|1,0,0]=2 780 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,1,0,0,0,0|1,0,0]=2 781 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,1,0,0,0,0|1,0,0]=2 782 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,1,0,0,0,0|1,0,0]=2 783 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,1,0,0,0,0|2,0,1]=4 784 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,1,0,0,0,0|2,0,1]=4 785 B8R0.23 C[C@H](CC(=O)O)N(C)C MCULE-8459726256 [0,1,0,0,0,0|1,0,0]=2 786 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [0,1,0,0,0,0|1,0,0]=2 787 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [0,1,0,0,0,0|1,0,0]=2 788 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,1,0,0,0,0|1,0,0]=2 789 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,1,0,0,0,0|2,0,0]=3 790 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,1,0,0,0,0|2,0,1]=4 793 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,1,0,0,0,0|2,0,1]=4 794 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,1,0,0,0,0|2,0,1]=4 795 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,1,0,0,0,0|2,0,1]=4 796 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,0,0|2,0,1]=4 798 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,0,0|2,0,1]=4 799 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,0,0|2,0,1]=4 800 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,0,0|2,0,1]=4 801 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,0,0|2,0,1]=4 802 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,0,0|2,0,1]=4 803 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,0,0|2,0,1]=4 804 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,0,0|2,0,1]=4 806 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,0,0|2,0,1]=4 807 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [0,1,0,0,0,0|2,0,0]=3 809 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [0,1,0,0,0,0|2,0,0]=3 810 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,0,0|2,0,1]=4 811 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,0,0|2,0,1]=4 812 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,0,0|2,0,1]=4 813 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,1,0,0,0,0|2,0,1]=4 814 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [0,1,0,0,0,0|2,0,0]=3 815 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [0,1,0,0,0,0|2,0,0]=3 816 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [0,1,0,0,0,0|2,0,0]=3 817 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [0,1,0,0,0,0|2,0,0]=3 818 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,1,0,0,0,0|3,0,0]=4 819 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,1,0,0,0,0|3,0,0]=4 820 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [0,1,0,0,0,0|2,0,0]=3 822 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [0,1,0,0,0,0|2,0,0]=3 823 B8R0.23 O=C(O)CC(=O)C(F)F MCULE-6579310267 [0,1,0,0,0,0|2,0,1]=4 824 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,1,0,0,0,0|2,0,1]=4 825 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,1,0,0,0,0|2,0,1]=4 826 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,1,0,0,0,0|2,0,1]=4 827 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,1,0,0,0,0|2,0,1]=4 828 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,1,0,0,0,0|2,0,1]=4 829 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,1,0,0,0,0|2,0,1]=4 830 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,1,0,0,0,0|2,0,1]=4 831 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,1,0,0,0,0|2,0,1]=4 832 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,1,0,0,0,0|2,0,1]=4 833 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,1,0,0,0,0|2,0,1]=4 834 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,1,0,0,0,0|2,0,1]=4 835 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,1,0,0,0,0|2,0,1]=4 836 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,1,0,0,0,0|2,0,1]=4 837 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,1,0,0,0,0|2,0,1]=4 838 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,1,0,0,0,0|2,0,1]=4 839 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,1,0,0,0,0|2,0,1]=4 840 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,1,0,0,0,0|2,0,1]=4 841 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,1,0,0,0,0|2,0,1]=4 842 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,0,0|2,0,1]=4 843 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-4796212792 [0,1,0,0,0,0|1,0,0]=2 844 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-7620299780 [0,1,0,0,0,0|1,0,0]=2 845 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-8990653324 [0,1,0,0,0,0|1,0,0]=2 846 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,1,0,0,0,0|2,0,0]=3 847 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,1,0,0,0,0|3,0,0]=4 848 B8R0.29 CC(=CCC(C)(C)C)C MCULE-8778760588 [0,1,0,0,0,0|2,0,1]=4 849 B8R0.29 CC(=O)CCC(C)(C)C MCULE-2192082949 [0,1,0,0,0,0|1,0,0]=2 850 B8R0.29 CC(=O)CCC(C)(C)O MCULE-8412947781 [0,1,0,0,0,0|1,0,0]=2 851 B8R0.29 CC(=O)CCC(F)(F)F MCULE-6225123181 [0,1,0,0,0,0|3,0,0]=4 852 B8R0.29 CC(=O)CCS(=O)(=O)C MCULE-3749048069 [0,1,0,0,0,0|3,0,0]=4 853 B8R0.29 CC(=O)CNC(C)(C)C MCULE-4059953007 [0,1,0,0,0,0|2,0,0]=3 854 B8R0.29 CC(=O)CNC(C)(C)C MCULE-9982398249 [0,1,0,0,0,0|2,0,0]=3 855 B8R0.29 CC(=O)COC(C)(C)C MCULE-1842651618 [0,1,0,0,0,0|2,0,0]=3 856 B8R0.29 CC(=O)CSC(C)(C)C MCULE-8055514434 [0,1,0,0,0,0|2,0,0]=3 857 B8R0.29 CC(=O)OC[Si](C)(C)C MCULE-2980282217 [0,1,0,0,0,0|2,1,0]=4 858 B8R0.29 CC(=O)ONC(C)(C)C MCULE-1992189414 [0,1,0,0,0,0|3,0,0]=4 859 B8R0.29 CC(=O)ONC(C)(C)C MCULE-5238660928 [0,1,0,0,0,0|3,0,0]=4 860 B8R0.29 CC(C)(C)/C=C/C(=O)O MCULE-8309589516 [0,1,0,0,0,0|0,0,2]=3 861 B8R0.29 CC(C)(C)C#CC(=O)O MCULE-1871829267 [0,1,0,0,0,0|0,0,2]=3 862 B8R0.29 CC(C)(C)C=CC(=O)O MCULE-1811374550 [0,1,0,0,0,0|0,0,2]=3 863 B8R0.29 CC(C)(C)CCC(=O)O MCULE-8929874481 [0,1,0,0,0,0|0,0,0]=1 864 B8R0.29 CC(C)(C)CCN(=O)=O MCULE-3755410630 [0,1,0,0,0,0|1,0,1]=3 865 B8R0.29 CC(C)(C)CNC(=O)N MCULE-1062244536 [0,1,0,0,0,0|2,0,0]=3 866 B8R0.29 CC(C)(C)COC(=O)Cl MCULE-8215596189 [0,1,0,0,0,0|2,0,0]=3 867 B8R0.29 CC(C)(C)NCC(=O)Cl MCULE-4182814399 [0,1,0,0,0,0|2,0,0]=3 868 B8R0.29 CC(C)(C)NCC(=O)Cl MCULE-5526530619 [0,1,0,0,0,0|2,0,0]=3 869 B8R0.29 CC(C)(C)NCC(=O)N MCULE-8082980934 [0,1,0,0,0,0|2,0,0]=3 870 B8R0.29 CC(C)(C)NCC(=O)O MCULE-1149308055 [0,1,0,0,0,0|1,0,0]=2 871 B8R0.29 CC(C)(C)NCC(=O)O MCULE-9781967875 [0,1,0,0,0,0|1,0,0]=2 872 B8R0.29 CC(C)(C)NCC(=O)[O-] MCULE-2801469302 [0,1,0,0,0,0|1,0,1]=3 873 B8R0.29 CC(C)(C)NNC(=O)N MCULE-9104180996 [0,1,0,0,0,0|3,0,0]=4 874 B8R0.29 CC(C)(C)OCC(=O)N MCULE-8627839273 [0,1,0,0,0,0|2,0,0]=3 875 B8R0.29 CC(C)(C)OCC(=O)O MCULE-9634856231 [0,1,0,0,0,0|1,0,0]=2 876 B8R0.29 CC(C)(C)OCC(=S)N MCULE-5043826351 [0,1,0,0,0,0|2,1,0]=4 877 B8R0.29 CC(C)(C)SCC(=O)O MCULE-3761706328 [0,1,0,0,0,0|1,0,0]=2 878 B8R0.29 CC(C)(N)CCC(=O)O MCULE-1195501366 [0,1,0,0,0,0|0,0,0]=1 879 B8R0.29 CC(C)(N)CCC(=O)O MCULE-3901764815 [0,1,0,0,0,0|0,0,0]=1 880 B8R0.29 CC(C)(N)CNC(=O)N MCULE-6198119290 [0,1,0,0,0,0|2,0,0]=3 881 B8R0.29 CC(C)(N)CNC(=O)N MCULE-9211662894 [0,1,0,0,0,0|2,0,0]=3 882 B8R0.29 CC(C)(O)C#CC(=O)O MCULE-8575212028 [0,1,0,0,0,0|0,0,2]=3 883 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-1599861039 [0,1,0,0,0,0|0,0,1]=2 884 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-4576125997 [0,1,0,0,0,0|0,0,1]=2 885 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-9770985354 [0,1,0,0,0,0|0,0,1]=2 886 B8R0.29 CC(C)(O)CCN(=O)=O MCULE-3639598270 [0,1,0,0,0,0|1,0,1]=3 887 B8R0.29 CC(C)(S)CCC(=O)O MCULE-7771494478 [0,1,0,0,0,0|0,0,0]=1 888 B8R0.29 CC(C)CCC(C)(C)C MCULE-5919798576 [0,1,0,0,0,0|2,0,1]=4 889 B8R0.29 CC(C)CCC(C)(C)Cl MCULE-8504383106 [0,1,0,0,0,0|2,0,1]=4 890 B8R0.29 CC(C)CCC(C)(C)O MCULE-2815520608 [0,1,0,0,0,0|1,0,1]=3 891 B8R0.29 CC(C)CCS(=O)(=O)Cl MCULE-4626197043 [0,1,0,0,0,0|1,0,1]=3 892 B8R0.29 CC(C)CCS(=O)(=O)N MCULE-1319888621 [0,1,0,0,0,0|1,0,1]=3 893 B8R0.29 CC(C)CNS(=O)(=O)C MCULE-5073468949 [0,1,0,0,0,0|2,0,1]=4 894 B8R0.29 CC(C)CNS(=O)(=O)Cl MCULE-2545924580 [0,1,0,0,0,0|2,0,1]=4 895 B8R0.29 CC(C)COS(=O)(=O)C MCULE-9403792571 [0,1,0,0,0,0|2,0,1]=4 896 B8R0.29 CC(C)NCC(C)(C)O MCULE-2183943029 [0,1,0,0,0,0|2,0,1]=4 897 B8R0.29 CC(F)(F)CCC(=O)O MCULE-6694097155 [0,1,0,0,0,0|1,0,0]=2 898 B8R0.29 CC(F)(F)COC(=O)Cl MCULE-7630962366 [0,1,0,0,0,0|3,0,0]=4 899 B8R0.29 CC(F)CCS(=O)(=O)Cl MCULE-8963478719 [0,1,0,0,0,0|2,0,1]=4 900 B8R0.29 CC(N)CCC(C)(C)C MCULE-5440327606 [0,1,0,0,0,0|2,0,1]=4 901 B8R0.29 CC(N)CCS(=O)(=O)C MCULE-1699976156 [0,1,0,0,0,0|2,0,1]=4 902 B8R0.29 CC(N)COS(=O)(=O)O MCULE-2792477868 [0,1,0,0,0,0|3,0,0]=4 903 B8R0.29 CC(O)CCS(=O)(=O)C MCULE-4963897023 [0,1,0,0,0,0|2,0,1]=4 904 B8R0.29 CC(O)COC(C)(C)C MCULE-1266093393 [0,1,0,0,0,0|2,0,1]=4 905 B8R0.29 CN(C)CCC(C)(C)N MCULE-4430154696 [0,1,0,0,0,0|3,0,0]=4 906 B8R0.29 CN(C)CCC(C)(C)N MCULE-6760122110 [0,1,0,0,0,0|3,0,0]=4 907 B8R0.29 CN(C)CCC(C)(C)O MCULE-5359938683 [0,1,0,0,0,0|2,0,1]=4 908 B8R0.29 CN(C)CCS(=O)(=O)C MCULE-2875233604 [0,1,0,0,0,0|2,0,1]=4 909 B8R0.29 CN(C)CCS(=O)(=O)C MCULE-4864121900 [0,1,0,0,0,0|2,0,1]=4 910 B8R0.29 CN(C)CCS(=O)(=O)Cl MCULE-3817008940 [0,1,0,0,0,0|2,0,1]=4 911 B8R0.29 CN(C)CCS(=O)(=O)Cl MCULE-9769568618 [0,1,0,0,0,0|2,0,1]=4 912 B8R0.29 CN(C)CCS(=O)(=O)N MCULE-6075645794 [0,1,0,0,0,0|2,0,1]=4 913 B8R0.29 CN(C)CCS(=O)(=O)O MCULE-2605112532 [0,1,0,0,0,0|2,0,0]=3 914 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [0,1,0,0,0,0|1,0,0]=2 915 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [0,1,0,0,0,0|2,0,0]=3 916 B8R0.29 CP(=S)(C)CCC(=O)O MCULE-5422068119 [0,1,0,0,0,0|1,0,0]=2 917 B8R0.29 CS(=O)(=NCC(=O)O)C MCULE-1962520069 [0,1,0,0,0,0|2,0,0]=3 918 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [0,1,0,0,0,0|2,0,0]=3 919 B8R0.29 CS(=O)(=O)NCC(=O)O MCULE-6239662408 [0,1,0,0,0,0|3,0,0]=4 920 B8R0.29 CS(=O)(=O)OCC(=O)O MCULE-5511249618 [0,1,0,0,0,0|3,0,0]=4 921 B8R0.29 C[C@@H](O)COC(C)(C)C MCULE-4985771313 [0,1,0,0,0,0|2,0,1]=4 922 B8R0.29 C[Si](C)(C)C#CC(=O)O MCULE-2165767664 [0,1,0,0,0,0|0,1,2]=4 923 B8R0.29 C[Si](C)(C)CCC(=O)O MCULE-7609579135 [0,1,0,0,0,0|0,1,0]=2 924 B8R0.29 C[Si](C)(C)CCC(=O)[O-] MCULE-2888786921 [0,1,0,0,0,0|0,1,1]=3 925 B8R0.29 NC(=O)CCC(F)(F)F MCULE-4212184554 [0,1,0,0,0,0|3,0,0]=4 926 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [0,1,0,0,0,0|3,0,0]=4 927 B8R0.29 O=C(Cl)CCC(F)(F)F MCULE-9544621663 [0,1,0,0,0,0|3,0,0]=4 928 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl MCULE-2127623168 [0,1,0,0,0,0|2,0,0]=3 929 B8R0.29 O=C(O)CCC(F)(F)F MCULE-9968667608 [0,1,0,0,0,0|2,0,0]=3 930 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [0,1,0,0,0,0|3,0,0]=4 931 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [0,1,0,0,0,0|3,0,0]=4 932 B8R0.29 O=C(O)COC(F)(F)F MCULE-9575310262 [0,1,0,0,0,0|3,0,0]=4 933 B8R0.29 O=C(O)CSC(F)(F)F MCULE-8363296787 [0,1,0,0,0,0|3,0,0]=4 934 B8R0.29 [C@H](C)(O)COC(C)(C)C MCULE-6966087832 [0,1,0,0,0,0|2,0,1]=4 935 B8R1.3 C1(CNC(=O)CN1)C MCULE-9891046463 [0,0,0,1,0,0|2,0,0]=3 936 B8R1.3 C=C1CCC(=O)CC1 MCULE-8766071389 [0,0,0,1,0,0|1,0,2]=4 937 B8R1.3 C=C1CCC(CC1)C MCULE-8335929583 [0,0,0,1,0,0|2,0,0]=3 938 B8R1.3 C=C1CCC(CC1)N MCULE-3488509161 [0,0,0,1,0,0|3,0,0]=4 939 B8R1.3 C=C1CCC(CC1)N MCULE-4928995581 [0,0,0,1,0,0|3,0,0]=4 940 B8R1.3 C=C1CCN(CC1)C MCULE-8616538841 [0,0,0,1,0,0|3,0,0]=4 941 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [0,0,0,1,0,0|1,0,2]=4 942 B8R1.3 CC1=CCC(CC1)N MCULE-2698586518 [0,0,0,1,0,0|3,0,0]=4 943 B8R1.3 CC1=NNC(=O)CC1 MCULE-3548202908 [0,0,0,1,0,0|2,0,1]=4 944 B8R1.3 CC1C=CC(=O)CC1 MCULE-6972928704 [0,0,0,1,0,0|1,0,1]=3 945 B8R1.3 CC1CC=C(CC1)Cl MCULE-9255462781 [0,0,0,1,0,0|2,0,0]=3 946 B8R1.3 CC1CCC(=O)CC1 MCULE-5534475096 [0,0,0,1,0,0|1,0,0]=2 947 B8R1.3 CC1CCC(=O)CC1 MCULE-9038467737 [0,0,0,1,0,0|1,0,0]=2 948 B8R1.3 CC1CCC(=O)CN1 MCULE-1285022466 [0,0,0,1,0,0|2,0,0]=3 949 B8R1.3 CC1CCC(=O)CN1 MCULE-9314433387 [0,0,0,1,0,0|2,0,0]=3 950 B8R1.3 CC1CCC(=O)CO1 MCULE-8334906567 [0,0,0,1,0,0|2,0,0]=3 951 B8R1.3 CC1CCC(=O)CS1 MCULE-9188619559 [0,0,0,1,0,0|2,0,0]=3 952 B8R1.3 CC1CCC(=O)NC1 MCULE-1307751847 [0,0,0,1,0,0|1,0,0]=2 953 B8R1.3 CC1CCC(CC1)Br MCULE-9651780583 [0,0,0,1,0,0|2,0,1]=4 954 B8R1.3 CC1CCC(CC1)C MCULE-8970080763 [0,0,0,1,0,0|2,0,1]=4 955 B8R1.3 CC1CCC(CC1)N MCULE-1405299661 [0,0,0,1,0,0|2,0,1]=4 956 B8R1.3 CC1CCC(CC1)N MCULE-2075843541 [0,0,0,1,0,0|2,0,1]=4 957 B8R1.3 CC1CCC(CC1)O MCULE-7501628471 [0,0,0,1,0,0|1,0,1]=3 958 B8R1.3 CC1CCC(CC1)S MCULE-6252839554 [0,0,0,1,0,0|1,1,1]=4 959 B8R1.3 CC1CCC(CN1)O MCULE-1965969511 [0,0,0,1,0,0|2,0,1]=4 960 B8R1.3 CC1CCC(CN1)O MCULE-8922826910 [0,0,0,1,0,0|2,0,1]=4 961 B8R1.3 CC1CCC(CO1)O MCULE-8416383333 [0,0,0,1,0,0|2,0,1]=4 962 B8R1.3 CC1CCC(NC1)C MCULE-5442214938 [0,0,0,1,0,0|2,0,1]=4 963 B8R1.3 CC1CCN(CC1)C MCULE-6129657861 [0,0,0,1,0,0|3,0,0]=4 964 B8R1.3 CC1CCN(CC1)N MCULE-3896858235 [0,0,0,1,0,0|3,0,0]=4 965 B8R1.3 CC1CCN(CC1)N MCULE-5103609084 [0,0,0,1,0,0|3,0,0]=4 966 B8R1.3 CC1CCN(CC1)N MCULE-5894508004 [0,0,0,1,0,0|3,0,0]=4 967 B8R1.3 CC1CNC(=O)CN1 MCULE-2050820306 [0,0,0,1,0,0|2,0,0]=3 968 B8R1.3 CC1CNC(=O)CN1 MCULE-9509469557 [0,0,0,1,0,0|2,0,0]=3 969 B8R1.3 CC1CNC(=O)CO1 MCULE-6817757578 [0,0,0,1,0,0|2,0,0]=3 970 B8R1.3 CC1COC(=O)OC1 MCULE-6795228051 [0,0,0,1,0,0|1,0,0]=2 971 B8R1.3 CC1COC(CN1)C MCULE-4975068364 [0,0,0,1,0,0|2,0,1]=4 972 B8R1.3 CC1COC(CN1)C MCULE-6443209935 [0,0,0,1,0,0|2,0,1]=4 973 B8R1.3 CN1CC=C(CC1)Br MCULE-7803632839 [0,0,0,1,0,0|3,0,0]=4 974 B8R1.3 CN1CC=C(CC1)Br MCULE-9568791028 [0,0,0,1,0,0|3,0,0]=4 975 B8R1.3 CN1CCC(=O)CC1 MCULE-3370577555 [0,0,0,1,0,0|2,0,0]=3 976 B8R1.3 CN1CCC(=O)CC1 MCULE-5364011649 [0,0,0,1,0,0|2,0,0]=3 977 B8R1.3 CN1CCC(CC1)O MCULE-1769465111 [0,0,0,1,0,0|2,0,1]=4 978 B8R1.3 CN1CCC(CC1)O MCULE-8742465276 [0,0,0,1,0,0|2,0,1]=4 979 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-4693797730 [0,0,0,1,0,0|2,0,0]=3 980 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-5991774380 [0,0,0,1,0,0|2,0,0]=3 981 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-6484213897 [0,0,0,1,0,0|2,0,0]=3 982 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-7346191190 [0,0,0,1,0,0|2,0,0]=3 983 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-1181513126 [0,0,0,1,0,0|2,0,1]=4 984 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-1902739569 [0,0,0,1,0,0|2,0,1]=4 985 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-4923873245 [0,0,0,1,0,0|2,0,1]=4 986 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-5091971479 [0,0,0,1,0,0|2,0,1]=4 987 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-7440788820 [0,0,0,1,0,0|2,0,1]=4 988 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-8869692501 [0,0,0,1,0,0|2,0,1]=4 989 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-8099689887 [0,0,0,1,0,0|2,0,1]=4 990 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-8746216012 [0,0,0,1,0,0|2,0,1]=4 991 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-9870191339 [0,0,0,1,0,0|2,0,1]=4 992 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1088991552 [0,0,0,1,0,0|2,0,0]=3 993 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1952714815 [0,0,0,1,0,0|2,0,0]=3 994 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-3350871833 [0,0,0,1,0,0|2,0,0]=3 995 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-9637742350 [0,0,0,1,0,0|2,0,0]=3 996 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7192421297 [0,0,0,1,0,0|2,0,0]=3 997 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7394512903 [0,0,0,1,0,0|2,0,0]=3 998 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1103945502 [0,0,0,1,0,0|2,0,1]=4 999 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1391537108 [0,0,0,1,0,0|2,0,1]=4 1000 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1946095385 [0,0,0,1,0,0|2,0,1]=4 1001 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-4549349129 [0,0,0,1,0,0|2,0,1]=4 1002 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-6334939841 [0,0,0,1,0,0|2,0,0]=3 1003 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-8476307649 [0,0,0,1,0,0|2,0,0]=3 1004 B8R1.3 C[C@H]1CCC(=O)NC1 MCULE-5712112445 [0,0,0,1,0,0|1,0,0]=2 1005 B8R1.3 C[C@H]1CC[C@@H](CC1)N MCULE-4582129313 [0,0,0,1,0,0|2,0,1]=4 1006 B8R1.3 C[C@H]1CC[C@@H](CC1)N MCULE-8719793702 [0,0,0,1,0,0|2,0,1]=4 1007 B8R1.3 C[C@H]1CC[C@@H](CC1)O MCULE-9131864343 [0,0,0,1,0,0|1,0,1]=3 1008 B8R1.3 C[C@H]1CC[C@@H](CN1)O MCULE-4342382470 [0,0,0,1,0,0|2,0,1]=4 1009 B8R1.3 C[C@H]1CC[C@@H](CN1)O MCULE-7588845174 [0,0,0,1,0,0|2,0,1]=4 1010 B8R1.3 C[C@H]1CC[C@H](CC1)C MCULE-5381492320 [0,0,0,1,0,0|2,0,1]=4 1011 B8R1.3 C[C@H]1CC[C@H](CC1)N MCULE-5470842973 [0,0,0,1,0,0|2,0,1]=4 1012 B8R1.3 C[C@H]1CC[C@H](CC1)N MCULE-9610267582 [0,0,0,1,0,0|2,0,1]=4 1013 B8R1.3 C[C@H]1CC[C@H](CC1)O MCULE-3495737054 [0,0,0,1,0,0|1,0,1]=3 1014 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-1161766631 [0,0,0,1,0,0|2,0,1]=4 1015 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-1646727489 [0,0,0,1,0,0|2,0,1]=4 1016 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-4706855730 [0,0,0,1,0,0|2,0,1]=4 1017 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-6031163394 [0,0,0,1,0,0|2,0,1]=4 1018 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-3373819559 [0,0,0,1,0,0|2,0,0]=3 1019 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-4486681671 [0,0,0,1,0,0|2,0,0]=3 1020 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-7180229103 [0,0,0,1,0,0|2,0,0]=3 1021 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-9466864223 [0,0,0,1,0,0|2,0,0]=3 1022 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-6169535590 [0,0,0,1,0,0|2,0,0]=3 1023 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-8876635175 [0,0,0,1,0,0|2,0,0]=3 1024 B8R1.3 C[C@H]1CN[C@@H](CO1)C MCULE-4621250808 [0,0,0,1,0,0|2,0,1]=4 1025 B8R1.3 C[C@H]1CN[C@@H](CO1)C MCULE-7331563103 [0,0,0,1,0,0|2,0,1]=4 1026 B8R1.3 C[C@H]1CO[C@@H](CN1)C MCULE-5045303209 [0,0,0,1,0,0|2,0,1]=4 1027 B8R1.3 C[C@H]1CO[C@@H](CN1)C MCULE-8352332219 [0,0,0,1,0,0|2,0,1]=4 1028 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-1410633938 [0,0,0,1,0,0|2,0,1]=4 1029 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-1498993915 [0,0,0,1,0,0|2,0,1]=4 1030 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-3545205619 [0,0,0,1,0,0|2,0,1]=4 1031 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-5064602423 [0,0,0,1,0,0|2,0,1]=4 1032 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-5773597642 [0,0,0,1,0,0|2,0,1]=4 1033 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-6073716335 [0,0,0,1,0,0|2,0,1]=4 1034 B8R1.3 NC1CC=C(CC1)F MCULE-2544035375 [0,0,0,1,0,0|3,0,0]=4 1035 B8R1.3 NC1CC=C(CC1)F MCULE-8564869491 [0,0,0,1,0,0|3,0,0]=4 1036 B8R1.3 NC1CCC(=O)CC1 MCULE-5825363145 [0,0,0,1,0,0|2,0,0]=3 1037 B8R1.3 NC1CCC(=O)CC1 MCULE-6212878324 [0,0,0,1,0,0|2,0,0]=3 1038 B8R1.3 NC1CCC(=O)NC1 MCULE-2677675224 [0,0,0,1,0,0|2,0,0]=3 1039 B8R1.3 NC1CCC(=O)NC1 MCULE-8711968877 [0,0,0,1,0,0|2,0,0]=3 1040 B8R1.3 NC1CCC(=O)NC1 MCULE-8915391016 [0,0,0,1,0,0|2,0,0]=3 1041 B8R1.3 NC1CCC(CC1)O MCULE-8546049036 [0,0,0,1,0,0|2,0,1]=4 1042 B8R1.3 NC1CCC(CC1)O MCULE-9716076284 [0,0,0,1,0,0|2,0,1]=4 1043 B8R1.3 NC1CCS(=O)CC1 MCULE-3451996362 [0,0,0,1,0,0|3,0,0]=4 1044 B8R1.3 NC1CCS(=O)CC1 MCULE-4019175019 [0,0,0,1,0,0|3,0,0]=4 1045 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-5372893548 [0,0,0,1,0,0|2,0,0]=3 1046 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6411408704 [0,0,0,1,0,0|2,0,0]=3 1047 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6771263407 [0,0,0,1,0,0|2,0,0]=3 1048 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-9035818807 [0,0,0,1,0,0|2,0,0]=3 1049 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-1921494480 [0,0,0,1,0,0|2,0,0]=3 1050 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-4843708987 [0,0,0,1,0,0|2,0,0]=3 1051 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-6599794889 [0,0,0,1,0,0|2,0,0]=3 1052 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-7112568050 [0,0,0,1,0,0|2,0,0]=3 1053 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9053885307 [0,0,0,1,0,0|2,0,0]=3 1054 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9780118077 [0,0,0,1,0,0|2,0,0]=3 1055 B8R1.3 N[C@H]1CC[C@@H](CC1)O MCULE-5499393551 [0,0,0,1,0,0|2,0,1]=4 1056 B8R1.3 N[C@H]1CC[C@@H](CC1)O MCULE-8986905038 [0,0,0,1,0,0|2,0,1]=4 1057 B8R1.3 N[C@H]1CC[C@H](CC1)O MCULE-2039471973 [0,0,0,1,0,0|2,0,1]=4 1058 B8R1.3 N[C@H]1CC[C@H](CC1)O MCULE-9845054375 [0,0,0,1,0,0|2,0,1]=4 1059 B8R1.3 O=C1CCC(=O)CC1 MCULE-5432049567 [0,0,0,1,0,0|2,0,1]=4 1060 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,0,0,1,0,0|2,0,1]=4 1061 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,0,0,1,0,0|1,0,1]=3 1062 B8R1.3 O=C1CCC(CC1)Br MCULE-1177789896 [0,0,0,1,0,0|2,0,0]=3 1063 B8R1.3 O=C1CCC(CC1)Cl MCULE-3647406761 [0,0,0,1,0,0|2,0,0]=3 1064 B8R1.3 O=C1CCC(CC1)F MCULE-5757540710 [0,0,0,1,0,0|2,0,0]=3 1065 B8R1.3 O=C1CCC(CC1)O MCULE-7247867750 [0,0,0,1,0,0|2,0,0]=3 1066 B8R1.3 O=C1CCC(CN1)F MCULE-1848493447 [0,0,0,1,0,0|2,0,0]=3 1067 B8R1.3 O=C1CCC(CN1)O MCULE-4501886280 [0,0,0,1,0,0|2,0,0]=3 1068 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,0,0,1,0,0|1,0,0]=2 1069 B8R1.3 O=C1CCS(=O)CC1 MCULE-5385870019 [0,0,0,1,0,0|3,0,0]=4 1070 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-3426407148 [0,0,0,1,0,0|2,0,0]=3 1071 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-9592320749 [0,0,0,1,0,0|2,0,0]=3 1072 B8R1.3 O=C1CC[C@H](CN1)O MCULE-1500705916 [0,0,0,1,0,0|2,0,0]=3 1073 B8R1.3 O=C1CC[C@H](CN1)O MCULE-9578240246 [0,0,0,1,0,0|2,0,0]=3 1074 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,1,0,0|2,0,1]=4 1075 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,0,0,1,0,0|2,0,1]=4 1076 B8R1.3 O=C1NCC(CN1)O MCULE-7019603243 [0,0,0,1,0,0|3,0,0]=4 1077 B8R1.3 O=S1CCC(CC1)O MCULE-7693506009 [0,0,0,1,0,0|3,0,0]=4 1078 B8R1.3 OC1CCC(CC1)Br MCULE-8198901639 [0,0,0,1,0,0|2,0,1]=4 1079 B8R1.3 OC1CCC(CC1)Cl MCULE-2412299435 [0,0,0,1,0,0|2,0,1]=4 1080 B8R1.3 OC1CCC(CC1)F MCULE-6919245281 [0,0,0,1,0,0|2,0,1]=4 1081 B8R1.3 OC1CCC(CC1)O MCULE-1213045312 [0,0,0,1,0,0|2,0,1]=4 1082 B8R1.3 O[C@H]1CC[C@@H](CC1)O MCULE-5169653700 [0,0,0,1,0,0|2,0,1]=4 1083 B8R1.3 O[C@H]1CC[C@H](CC1)O MCULE-1269237683 [0,0,0,1,0,0|2,0,1]=4 1084 B8R1.3 [C@@H]1(CC[C@@H](CC1)C)C MCULE-9917903475 [0,0,0,1,0,0|2,0,1]=4 1085 B8R1.3 [C@@H]1(CN[C@@H](CO1)C)C MCULE-3712952908 [0,0,0,1,0,0|2,0,1]=4 1086 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [0,0,0,1,0,0|0,0,0]=1 1087 B8R1.20 CC1CC1NC(=S)N MCULE-2224830291 [0,0,0,1,0,0|2,1,0]=4 1088 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,1,0,0|2,0,1]=4 1089 B8R1.23 C=C1CC(C1)C(=O)C MCULE-4738657819 [0,0,0,1,0,0|1,0,2]=4 1090 B8R1.23 C=C1CC(C1)C(=O)Cl MCULE-2176633503 [0,0,0,1,0,0|1,0,2]=4 1091 B8R1.23 C=C1CC(C1)C(=O)N MCULE-9592937262 [0,0,0,1,0,0|1,0,2]=4 1092 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,0,0,1,0,0|0,0,2]=3 1093 B8R1.23 CC(=O)C1CC(C1)O MCULE-1249992642 [0,0,0,1,0,0|2,0,0]=3 1094 B8R1.23 CC(=O)N1CC(C1)N MCULE-2365148708 [0,0,0,1,0,0|3,0,0]=4 1095 B8R1.23 CC(=O)N1CC(C1)N MCULE-7213807824 [0,0,0,1,0,0|3,0,0]=4 1096 B8R1.23 CC(=O)N1CC(C1)N MCULE-9513131334 [0,0,0,1,0,0|3,0,0]=4 1097 B8R1.23 CC(=O)N1CC(C1)O MCULE-5379013327 [0,0,0,1,0,0|3,0,0]=4 1098 B8R1.23 CC(C)C1CC(=O)C1 MCULE-1288547159 [0,0,0,1,0,0|1,0,0]=2 1099 B8R1.23 CC(C)C1CC(=O)N1 MCULE-9034089552 [0,0,0,1,0,0|1,0,0]=2 1100 B8R1.23 CC(C)C1CC(C1)N MCULE-8540654451 [0,0,0,1,0,0|2,0,1]=4 1101 B8R1.23 CC(C)N1CC(C1)O MCULE-5775192694 [0,0,0,1,0,0|2,0,1]=4 1102 B8R1.23 CC(C)N1CC(C1)O MCULE-9171511902 [0,0,0,1,0,0|2,0,1]=4 1103 B8R1.23 CC(C)[C@@H]1CC(=O)N1 MCULE-4005923993 [0,0,0,1,0,0|1,0,0]=2 1104 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [0,0,0,1,0,0|0,0,0]=1 1105 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,0,0,1,0,0|1,0,0]=2 1106 B8R1.23 CN(C)C1CC(=O)C1 MCULE-6018790008 [0,0,0,1,0,0|2,0,0]=3 1107 B8R1.23 CN(C)C1CC(C1)O MCULE-1150389286 [0,0,0,1,0,0|2,0,1]=4 1108 B8R1.23 CN(C)C1CC(C1)O MCULE-2281417663 [0,0,0,1,0,0|2,0,1]=4 1109 B8R1.23 CN(C)[C@H]1C[C@@H](C1)O MCULE-9687643999 [0,0,0,1,0,0|2,0,1]=4 1110 B8R1.23 CN(C)[C@H]1C[C@H](C1)O MCULE-5096590941 [0,0,0,1,0,0|2,0,1]=4 1111 B8R1.23 CN1CC(C1)C(=O)Cl MCULE-4240668885 [0,0,0,1,0,0|2,0,0]=3 1112 B8R1.23 CN1CC(C1)C(=O)Cl MCULE-8969093472 [0,0,0,1,0,0|2,0,0]=3 1113 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [0,0,0,1,0,0|1,0,0]=2 1114 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,0,0,1,0,0|1,0,0]=2 1115 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [0,0,0,1,0,0|0,0,0]=1 1116 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [0,0,0,1,0,0|0,0,0]=1 1117 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,0,0,1,0,0|1,0,0]=2 1118 B8R1.23 NC(=O)C1CC(C1)N MCULE-5148844906 [0,0,0,1,0,0|2,0,0]=3 1119 B8R1.23 NC(=O)C1CC(C1)N MCULE-6769121107 [0,0,0,1,0,0|2,0,0]=3 1120 B8R1.23 NC(=O)C1CC(C1)O MCULE-5735068093 [0,0,0,1,0,0|2,0,0]=3 1121 B8R1.23 NC(=O)N1CC(C1)F MCULE-7038677987 [0,0,0,1,0,0|3,0,0]=4 1122 B8R1.23 NC(=O)N1CC(C1)O MCULE-8624777593 [0,0,0,1,0,0|3,0,0]=4 1123 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [0,0,0,1,0,0|1,0,0]=2 1124 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [0,0,0,1,0,0|1,0,0]=2 1125 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [0,0,0,1,0,0|1,0,0]=2 1126 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [0,0,0,1,0,0|1,0,0]=2 1127 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [0,0,0,1,0,0|1,0,0]=2 1128 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [0,0,0,1,0,0|1,0,0]=2 1129 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [0,0,0,1,0,0|1,0,0]=2 1130 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [0,0,0,1,0,0|1,0,0]=2 1131 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [0,0,0,1,0,0|1,0,0]=2 1132 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [0,0,0,1,0,0|1,0,0]=2 1133 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [0,0,0,1,0,0|1,0,0]=2 1134 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [0,0,0,1,0,0|1,0,0]=2 1135 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [0,0,0,1,0,0|1,0,0]=2 1136 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [0,0,0,1,0,0|1,0,0]=2 1137 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [0,0,0,1,0,0|1,0,0]=2 1138 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [0,0,0,1,0,0|1,0,0]=2 1139 B8R1.23 O=C1CC(C1)C(=O)Cl MCULE-5261758509 [0,0,0,1,0,0|2,0,1]=4 1140 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,1,0,0|1,0,1]=3 1141 B8R1.23 O=C1CC(C1)C(F)F MCULE-9534663831 [0,0,0,1,0,0|3,0,0]=4 1142 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,1,0,0|2,0,1]=4 1143 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,0,0,1,0,0|2,0,1]=4 1144 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,1,0,0|2,0,1]=4 1145 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,1,0,0|2,0,1]=4 1146 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,1,0,0|2,0,1]=4 1147 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,1,0,0|2,0,1]=4 1148 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [0,0,0,1,0,0|1,0,0]=2 1149 B8R1.35 CC(=O)CCC1CC1 MCULE-1674877061 [0,0,0,1,0,0|1,0,0]=2 1150 B8R1.35 CC(=O)NCC1CC1 MCULE-1770864212 [0,0,0,1,0,0|2,0,0]=3 1151 B8R1.35 CC(=O)NCC1CO1 MCULE-8864606081 [0,0,0,1,0,0|3,0,0]=4 1152 B8R1.35 CC(C)CCC1CO1 MCULE-8370319949 [0,0,0,1,0,0|1,0,1]=3 1153 B8R1.35 CC(C)OCC1CO1 MCULE-5300797105 [0,0,0,1,0,0|2,0,1]=4 1154 B8R1.35 CC(C)OC[C@@H]1CO1 MCULE-4211264263 [0,0,0,1,0,0|2,0,1]=4 1155 B8R1.35 CC(C)OC[C@H]1CO1 MCULE-8109473880 [0,0,0,1,0,0|2,0,1]=4 1156 B8R1.35 CC(N)CCC1CC1 MCULE-7679176240 [0,0,0,1,0,0|2,0,1]=4 1157 B8R1.35 CC(O)CNC1CC1 MCULE-6273561896 [0,0,0,1,0,0|2,0,1]=4 1158 B8R1.35 N=C(N)NCC1CC1 MCULE-9564921056 [0,0,0,1,0,0|3,0,0]=4 1159 B8R1.35 N=C(N)SCC1CC1 MCULE-1163307095 [0,0,0,1,0,0|3,0,0]=4 1160 B8R1.35 N=C(N)SCC1CC1 MCULE-9784235666 [0,0,0,1,0,0|3,0,0]=4 1161 B8R1.35 NC(=O)CNC1CC1 MCULE-1569675703 [0,0,0,1,0,0|2,0,0]=3 1162 B8R1.35 NC(=O)CNC1CC1 MCULE-2912062351 [0,0,0,1,0,0|2,0,0]=3 1163 B8R1.35 NC(=O)NCC1CC1 MCULE-9526171923 [0,0,0,1,0,0|2,0,0]=3 1164 B8R1.35 NC(=S)NCC1CC1 MCULE-7980551401 [0,0,0,1,0,0|2,1,0]=4 1165 B8R1.35 O=C(Cl)OCC1CC1 MCULE-5850240668 [0,0,0,1,0,0|2,0,0]=3 1166 B8R1.35 O=C(O)/C=C/C1CC1 MCULE-2218783834 [0,0,0,1,0,0|0,0,2]=3 1167 B8R1.35 O=C(O)C#CC1CC1 MCULE-8494271998 [0,0,0,1,0,0|0,0,2]=3 1168 B8R1.35 O=C(O)C=CC1CC1 MCULE-9706214568 [0,0,0,1,0,0|0,0,2]=3 1169 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [0,0,0,1,0,0|0,0,0]=1 1170 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [0,0,0,1,0,0|1,0,0]=2 1171 B8R1.35 O=C(O)CCC1N=N1 MCULE-7773347718 [0,0,0,1,0,0|2,0,0]=3 1172 B8R1.35 O=C(O)CNC1CC1 MCULE-7811029224 [0,0,0,1,0,0|1,0,0]=2 1173 B8R1.35 O=C(O)CNC1CC1 MCULE-9104732369 [0,0,0,1,0,0|1,0,0]=2 1174 B8R1.35 O=C(O)COC1CC1 MCULE-2555477617 [0,0,0,1,0,0|1,0,0]=2 1175 B8R1.35 O=C(O)CSC1CC1 MCULE-7890561094 [0,0,0,1,0,0|1,0,0]=2 1176 B8R1.35 O=N(=O)CCC1CC1 MCULE-7393596142 [0,0,0,1,0,0|1,0,1]=3 1177 B8R1.51 C=C1COC(O1)(C)C MCULE-6956184576 [0,0,0,1,0,0|2,0,0]=3 1178 B8R1.51 CC1(C=CC(=O)C1)C MCULE-2691948275 [0,0,0,1,0,0|1,0,2]=4 1179 B8R1.51 CC1(CC(=O)CN1)C MCULE-3002354818 [0,0,0,1,0,0|2,0,0]=3 1180 B8R1.51 CC1(CC(=O)CO1)C MCULE-3813236339 [0,0,0,1,0,0|2,0,0]=3 1181 B8R1.51 CC1(CC(=O)CS1)C MCULE-8119393989 [0,0,0,1,0,0|2,0,0]=3 1182 B8R1.51 CC1(CC(=O)NN1)C MCULE-3949987986 [0,0,0,1,0,0|3,0,0]=4 1183 B8R1.51 CC1(CC(=O)NO1)C MCULE-2107007864 [0,0,0,1,0,0|3,0,0]=4 1184 B8R1.51 CC1(CC(CN1)O)C MCULE-5350721787 [0,0,0,1,0,0|2,0,1]=4 1185 B8R1.51 CC1(CC(CO1)O)C MCULE-6020499551 [0,0,0,1,0,0|2,0,1]=4 1186 B8R1.51 CC1(CCC(=O)C1)C MCULE-9814375082 [0,0,0,1,0,0|1,0,0]=2 1187 B8R1.51 CC1(CCC(=O)N1)C MCULE-2538104334 [0,0,0,1,0,0|1,0,0]=2 1188 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [0,0,0,1,0,0|0,0,0]=1 1189 B8R1.51 CC1(CCC(C1)Br)C MCULE-7648461165 [0,0,0,1,0,0|2,0,1]=4 1190 B8R1.51 CC1(CCC(C1)N)C MCULE-1462634969 [0,0,0,1,0,0|2,0,1]=4 1191 B8R1.51 CC1(CCC(C1)N)C MCULE-7718074169 [0,0,0,1,0,0|2,0,1]=4 1192 B8R1.51 CC1(CCC(C1)N)O MCULE-2662110764 [0,0,0,1,0,0|2,0,1]=4 1193 B8R1.51 CC1(CCC(C1)N)O MCULE-8421528641 [0,0,0,1,0,0|2,0,1]=4 1194 B8R1.51 CC1(CCC(C1)O)N MCULE-1629381772 [0,0,0,1,0,0|2,0,1]=4 1195 B8R1.51 CC1(CCC(O1)O)C MCULE-7092868347 [0,0,0,1,0,0|0,0,2]=3 1196 B8R1.51 CC1(CN=C(C1)N)C MCULE-2728105590 [0,0,0,1,0,0|3,0,0]=4 1197 B8R1.51 CC1(CN=C(C1)N)C MCULE-9014086278 [0,0,0,1,0,0|3,0,0]=4 1198 B8R1.51 CC1(CN=C(O1)N)C MCULE-6517199560 [0,0,0,1,0,0|2,0,0]=3 1199 B8R1.51 CC1(CNC(=O)C1)C MCULE-1184902754 [0,0,0,1,0,0|2,0,0]=3 1200 B8R1.51 CC1(CNC(=O)C1)O MCULE-3317128471 [0,0,0,1,0,0|3,0,0]=4 1201 B8R1.51 CC1(CNC(=O)N1)C MCULE-2885809296 [0,0,0,1,0,0|2,0,0]=3 1202 B8R1.51 CC1(CNC(=O)O1)C MCULE-9188826896 [0,0,0,1,0,0|1,0,0]=2 1203 B8R1.51 CC1(CNC(=S)N1)C MCULE-1571486648 [0,0,0,1,0,0|2,1,0]=4 1204 B8R1.51 CC1(COC(=N1)N)C MCULE-6966870092 [0,0,0,1,0,0|3,0,0]=4 1205 B8R1.51 CC1(COC(=O)C1)C MCULE-2810911497 [0,0,0,1,0,0|2,0,0]=3 1206 B8R1.51 CC1(COC(=O)N1)C MCULE-9709457440 [0,0,0,1,0,0|2,0,0]=3 1207 B8R1.51 CC1(COC(=S)N1)C MCULE-2461637364 [0,0,0,1,0,0|2,1,0]=4 1208 B8R1.51 CC1(CSC(=S)N1)C MCULE-9871352236 [0,0,0,1,0,0|2,1,0]=4 1209 B8R1.51 CC1(C[C@@H](CN1)O)C MCULE-2169130789 [0,0,0,1,0,0|2,0,1]=4 1210 B8R1.51 CC1(C[C@@H](CN1)O)C MCULE-9189212857 [0,0,0,1,0,0|2,0,1]=4 1211 B8R1.51 CC1(N=NC(=O)N1)C MCULE-9521585830 [0,0,0,1,0,0|3,0,0]=4 1212 B8R1.51 CC1(NCC(=O)N1)C MCULE-4375597060 [0,0,0,1,0,0|2,0,0]=3 1213 B8R1.51 CC1(OCC(=O)O1)C MCULE-5121540413 [0,0,0,1,0,0|1,0,0]=2 1214 B8R1.51 CC1=NC(CO1)(C)C MCULE-5229270650 [0,0,0,1,0,0|3,0,0]=4 1215 B8R1.51 CC1=NC(CS1)(C)C MCULE-4639517834 [0,0,0,1,0,0|3,0,0]=4 1216 B8R1.51 CC1CCC(C1)(C)O MCULE-5369529521 [0,0,0,1,0,0|1,0,1]=3 1217 B8R1.51 CC1CCC(N1)(C)C MCULE-3065789797 [0,0,0,1,0,0|2,0,1]=4 1218 B8R1.51 CC1CCC(N1)(C)C MCULE-6175622918 [0,0,0,1,0,0|2,0,1]=4 1219 B8R1.51 CC1CCS(=O)(=O)C1 MCULE-8205416735 [0,0,0,1,0,0|1,0,1]=3 1220 B8R1.51 CC1CCS(=O)(=O)N1 MCULE-7593233575 [0,0,0,1,0,0|2,0,1]=4 1221 B8R1.51 CC1CCS(=O)(=O)O1 MCULE-3194494728 [0,0,0,1,0,0|2,0,1]=4 1222 B8R1.51 CC1CNS(=O)(=O)C1 MCULE-2299608411 [0,0,0,1,0,0|2,0,1]=4 1223 B8R1.51 CC1COC(O1)(C)C MCULE-2118300632 [0,0,0,1,0,0|2,0,1]=4 1224 B8R1.51 CC1COS(=O)(=O)C1 MCULE-3208476537 [0,0,0,1,0,0|2,0,1]=4 1225 B8R1.51 CN1CCC(C1)(C)C MCULE-4501256940 [0,0,0,1,0,0|3,0,0]=4 1226 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,0,0,1,0,0|2,0,0]=3 1227 B8R1.51 C[C@]1(CC[C@@H](C1)N)O MCULE-4320731186 [0,0,0,1,0,0|2,0,1]=4 1228 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-3664794949 [0,0,0,1,0,0|2,0,1]=4 1229 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-4987844102 [0,0,0,1,0,0|2,0,1]=4 1230 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-6173061448 [0,0,0,1,0,0|2,0,1]=4 1231 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-8024346240 [0,0,0,1,0,0|2,0,1]=4 1232 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-5491077502 [0,0,0,1,0,0|2,0,1]=4 1233 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-6127452891 [0,0,0,1,0,0|2,0,1]=4 1234 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-8245544049 [0,0,0,1,0,0|2,0,1]=4 1235 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-8690512997 [0,0,0,1,0,0|2,0,1]=4 1236 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-2755321215 [0,0,0,1,0,0|2,0,1]=4 1237 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-3468273378 [0,0,0,1,0,0|2,0,1]=4 1238 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-7343668152 [0,0,0,1,0,0|2,0,1]=4 1239 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-9897703297 [0,0,0,1,0,0|2,0,1]=4 1240 B8R1.51 O=C1CCS(=O)(=O)O1 MCULE-1696670151 [0,0,0,1,0,0|3,0,0]=4 1241 B8R1.51 O=S1(=O)CCC(C1)Br MCULE-7705924050 [0,0,0,1,0,0|2,0,1]=4 1242 B8R1.51 O=S1(=O)CCC(C1)Cl MCULE-6623260684 [0,0,0,1,0,0|2,0,1]=4 1243 B8R1.51 O=S1(=O)CCC(C1)I MCULE-8157194528 [0,0,0,1,0,0|2,0,1]=4 1244 B8R1.51 O=S1(=O)CCC(C1)O MCULE-3784616685 [0,0,0,1,0,0|2,0,1]=4 1245 B8R1.51 O=S1(=O)CCC(C1)S MCULE-5583339693 [0,0,0,1,0,0|2,0,1]=4 1246 B8R1.51 [NH3+]C1CCS(=O)(=O)C1 MCULE-9144849902 [0,0,0,1,0,0|2,0,1]=4 1247 B8R1.77 C1(CC1(C)C)C(=O)N MCULE-5718477060 [0,0,0,1,0,0|1,0,0]=2 1248 B8R1.77 CC(=O)C1CC1(C)C MCULE-5036637605 [0,0,0,1,0,0|1,0,0]=2 1249 B8R1.77 CC(=O)C1CC1(F)F MCULE-1936405426 [0,0,0,1,0,0|3,0,0]=4 1250 B8R1.77 CC1(CC1B(O)O)C MCULE-7776925356 [0,0,0,1,0,0|1,0,1]=3 1251 B8R1.77 CC1(CC1C(=O)Cl)C MCULE-4090499692 [0,0,0,1,0,0|1,0,0]=2 1252 B8R1.77 CC1(CC1C(=O)N)C MCULE-5357702152 [0,0,0,1,0,0|1,0,0]=2 1253 B8R1.77 CC1(CC1C(=O)O)Br MCULE-8354202393 [0,0,0,1,0,0|1,0,0]=2 1254 B8R1.77 CC1(CC1C(=O)O)C MCULE-1018303180 [0,0,0,1,0,0|0,0,0]=1 1255 B8R1.77 CC1(CC1C(=S)N)C MCULE-7727174722 [0,0,0,1,0,0|1,1,0]=3 1256 B8R1.77 CC1(C[C@@H]1C(=O)N)C MCULE-5378835991 [0,0,0,1,0,0|1,0,0]=2 1257 B8R1.77 CC1(C[C@@H]1C(=O)N)C MCULE-9161411761 [0,0,0,1,0,0|1,0,0]=2 1258 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8058233700 [0,0,0,1,0,0|0,0,0]=1 1259 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8306311088 [0,0,0,1,0,0|0,0,0]=1 1260 B8R1.77 CC1(C[C@H]1C(=O)O)C MCULE-1908265175 [0,0,0,1,0,0|0,0,0]=1 1261 B8R1.77 CC1(OC1C(=O)O)C MCULE-6178976856 [0,0,0,1,0,0|1,0,0]=2 1262 B8R1.77 NC(=O)C1CC1(Cl)Cl MCULE-8970090284 [0,0,0,1,0,0|3,0,0]=4 1263 B8R1.77 NC(=O)C1CC1(F)F MCULE-4097956705 [0,0,0,1,0,0|3,0,0]=4 1264 B8R1.77 O=C(Cl)C1CC1(Cl)Cl MCULE-5763068907 [0,0,0,1,0,0|3,0,0]=4 1265 B8R1.77 O=C(O)C1CC1(Br)Br MCULE-7358606014 [0,0,0,1,0,0|2,0,0]=3 1266 B8R1.77 O=C(O)C1CC1(Cl)Cl MCULE-6063199100 [0,0,0,1,0,0|2,0,0]=3 1267 B8R1.77 O=C(O)C1CC1(F)Cl MCULE-3259140974 [0,0,0,1,0,0|2,0,0]=3 1268 B8R1.77 O=C(O)C1CC1(F)F MCULE-2294378507 [0,0,0,1,0,0|2,0,0]=3 1269 B8R1.77 O=C(O)C1CC1(F)F MCULE-7749595525 [0,0,0,1,0,0|2,0,0]=3 1270 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-1169025364 [0,0,0,1,0,0|2,0,0]=3 1271 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-8477839387 [0,0,0,1,0,0|2,0,0]=3 1272 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-4058307455 [0,0,0,1,0,0|2,0,0]=3 1273 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-5570539448 [0,0,0,1,0,0|2,0,0]=3 1274 B8R1.77 [C@H]1(CC1(C)C)C(=O)N MCULE-6467459637 [0,0,0,1,0,0|1,0,0]=2 1275 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,0,0,0,1,0|1,0,2]=4 1276 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,1,0|0,0,2]=3 1277 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [0,0,0,0,1,0|2,0,0]=3 1278 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,0,0,0,1,0|3,0,0]=4 1279 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,0,0,0,1,0|3,0,0]=4 1280 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,1,0|1,0,2]=4 1281 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,0,0,0,1,0|1,0,2]=4 1282 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,0,0,0,1,0|1,0,2]=4 1283 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,0,0,1,0|0,0,2]=3 1284 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,0,0,1,0|1,0,2]=4 1285 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,0,0,1,0|1,0,2]=4 1286 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,0,0,1,0|1,0,2]=4 1287 B6R0.2 CC(=CC(C)C)C MCULE-5460531772 [0,0,0,0,1,0|2,0,1]=4 1288 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,0,0,1,0|2,0,1]=4 1289 B6R0.2 CC(=NC(C)C)C MCULE-4174313497 [0,0,0,0,1,0|3,0,0]=4 1290 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,0,0,0,1,0|1,0,2]=4 1291 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,1,0|2,0,1]=4 1292 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,1,0|2,0,1]=4 1293 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,1,0|1,0,1]=3 1294 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,1,0|1,0,2]=4 1295 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,1,0|1,0,2]=4 1296 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,0,0,0,1,0|1,0,0]=2 1297 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,0,0,0,1,0|2,0,0]=3 1298 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,0,0,0,1,0|2,0,0]=3 1299 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,0,0,0,1,0|2,0,0]=3 1300 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,0,0,0,1,0|2,0,0]=3 1301 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,0,0,0,1,0|2,0,0]=3 1302 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,0,0,0,1,0|2,0,0]=3 1303 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [0,0,0,0,1,0|2,0,0]=3 1304 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [0,0,0,0,1,0|3,0,0]=4 1305 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [0,0,0,0,1,0|3,0,0]=4 1306 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [0,0,0,0,1,0|3,0,0]=4 1307 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [0,0,0,0,1,0|2,0,0]=3 1308 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [0,0,0,0,1,0|3,0,0]=4 1309 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,0,0,0,1,0|1,0,0]=2 1310 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [0,0,0,0,1,0|2,1,0]=4 1311 B6R0.2 CC(C)CB(O)O MCULE-9748327681 [0,0,0,0,1,0|1,0,1]=3 1312 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [0,0,0,0,1,0|2,0,0]=3 1313 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [0,0,0,0,1,0|2,0,0]=3 1314 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [0,0,0,0,1,0|2,0,0]=3 1315 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,0,0,0,1,0|1,0,0]=2 1316 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,0,0,0,1,0|1,0,0]=2 1317 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,0,0,0,1,0|0,0,0]=1 1318 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [0,0,0,0,1,0|1,1,0]=3 1319 B6R0.2 CC(C)CC(C)Br MCULE-1549882864 [0,0,0,0,1,0|2,0,1]=4 1320 B6R0.2 CC(C)CC(C)C MCULE-1646863110 [0,0,0,0,1,0|2,0,1]=4 1321 B6R0.2 CC(C)CC(C)I MCULE-6965017338 [0,0,0,0,1,0|2,0,1]=4 1322 B6R0.2 CC(C)CC(C)N MCULE-1144229692 [0,0,0,0,1,0|2,0,1]=4 1323 B6R0.2 CC(C)CC(C)N MCULE-5992377656 [0,0,0,0,1,0|2,0,1]=4 1324 B6R0.2 CC(C)CC(C)O MCULE-9223768698 [0,0,0,0,1,0|1,0,1]=3 1325 B6R0.2 CC(C)CN(=O)=O MCULE-1357840093 [0,0,0,0,1,0|1,0,1]=3 1326 B6R0.2 CC(C)CS(=O)[O-] MCULE-3716652382 [0,0,0,0,1,0|1,0,1]=3 1327 B6R0.2 CC(C)CS(=O)[O-] MCULE-7111094918 [0,0,0,0,1,0|1,0,1]=3 1328 B6R0.2 CC(C)C[C@@H](C)N MCULE-5902933285 [0,0,0,0,1,0|2,0,1]=4 1329 B6R0.2 CC(C)C[C@@H](C)N MCULE-7208228535 [0,0,0,0,1,0|2,0,1]=4 1330 B6R0.2 CC(C)C[C@@H](C)O MCULE-3150675602 [0,0,0,0,1,0|1,0,1]=3 1331 B6R0.2 CC(C)C[C@@H](C)O MCULE-4011042896 [0,0,0,0,1,0|1,0,1]=3 1332 B6R0.2 CC(C)NC(=N)N MCULE-4913172476 [0,0,0,0,1,0|3,0,0]=4 1333 B6R0.2 CC(C)NC(=N)N MCULE-4959976198 [0,0,0,0,1,0|3,0,0]=4 1334 B6R0.2 CC(C)NC(=N)N MCULE-5602505573 [0,0,0,0,1,0|3,0,0]=4 1335 B6R0.2 CC(C)NC(=N)N MCULE-8448870710 [0,0,0,0,1,0|3,0,0]=4 1336 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,0,0,0,1,0|2,0,0]=3 1337 B6R0.2 CC(C)NC(=S)N MCULE-9243939729 [0,0,0,0,1,0|2,1,0]=4 1338 B6R0.2 CC(C)OC(=N)N MCULE-3607061697 [0,0,0,0,1,0|3,0,0]=4 1339 B6R0.2 CC(C)OC(=N)N MCULE-6662387960 [0,0,0,0,1,0|3,0,0]=4 1340 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [0,0,0,0,1,0|2,0,0]=3 1341 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [0,0,0,0,1,0|2,0,0]=3 1342 B6R0.2 CC(C)OC(=S)[S-] MCULE-2902588510 [0,0,0,0,1,0|1,2,0]=4 1343 B6R0.2 CC(C)OC(=S)[S-] MCULE-9078070002 [0,0,0,0,1,0|1,2,0]=4 1344 B6R0.2 CC(C)OC(=S)[S-] MCULE-9949285618 [0,0,0,0,1,0|1,2,0]=4 1345 B6R0.2 CC(C)ON(=O)=O MCULE-8820340461 [0,0,0,0,1,0|2,0,1]=4 1346 B6R0.2 CC(C)SC(=N)N MCULE-1974434339 [0,0,0,0,1,0|3,0,0]=4 1347 B6R0.2 CC(C)SC(=N)N MCULE-3570639733 [0,0,0,0,1,0|3,0,0]=4 1348 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [0,0,0,0,1,0|2,0,0]=3 1349 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,0,0,0,1,0|2,0,0]=3 1350 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,0,0,0,1,0|1,0,0]=2 1351 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [0,0,0,0,1,0|3,0,0]=4 1352 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,0,0,0,1,0|1,0,0]=2 1353 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,0,0,0,1,0|2,0,0]=3 1354 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,0,0,0,1,0|2,0,0]=3 1355 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,0,0,0,1,0|1,0,0]=2 1356 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,0,0,0,1,0|1,0,0]=2 1357 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,0,0,0,1,0|1,0,0]=2 1358 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,0,0,0,1,0|1,0,0]=2 1359 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [0,0,0,0,1,0|2,0,1]=4 1360 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [0,0,0,0,1,0|3,0,0]=4 1361 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,0,0,0,1,0|2,0,0]=3 1362 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,1,0|1,0,0]=2 1363 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,1,0|1,0,0]=2 1364 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,0,0,0,1,0|1,0,1]=3 1365 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,0,0,0,1,0|1,0,1]=3 1366 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [0,0,0,0,1,0|2,0,1]=4 1367 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [0,0,0,0,1,0|2,0,1]=4 1368 B6R0.2 CC(O)CN(C)C MCULE-6531222530 [0,0,0,0,1,0|2,0,1]=4 1369 B6R0.2 CC(O)CN(C)C MCULE-7127620454 [0,0,0,0,1,0|2,0,1]=4 1370 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [0,0,0,0,1,0|3,0,0]=4 1371 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [0,0,0,0,1,0|2,0,0]=3 1372 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [0,0,0,0,1,0|2,0,0]=3 1373 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,0,0,0,1,0|2,0,0]=3 1374 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,0,0,0,1,0|1,0,0]=2 1375 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,0,0,0,1,0|1,0,0]=2 1376 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [0,0,0,0,1,0|1,0,1]=3 1377 B6R0.2 CN(C)CC(=S)N MCULE-3863789639 [0,0,0,0,1,0|2,1,0]=4 1378 B6R0.2 CN(C)CC(=S)N MCULE-8756068308 [0,0,0,0,1,0|2,1,0]=4 1379 B6R0.2 CN(C)NC(=O)N MCULE-4462686977 [0,0,0,0,1,0|3,0,0]=4 1380 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,0,0,0,1,0|1,0,0]=2 1381 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,0,0,0,1,0|1,0,0]=2 1382 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,0,0,0,1,0|1,0,0]=2 1383 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,0,0,0,1,0|1,0,0]=2 1384 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,1,0|1,0,0]=2 1385 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,1,0|1,0,0]=2 1386 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,0,0,0,1,0|1,0,1]=3 1387 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,0,0,0,1,0|1,0,1]=3 1388 B6R0.2 C[C@@H](O)CN(C)C MCULE-3114172439 [0,0,0,0,1,0|2,0,1]=4 1389 B6R0.2 C[C@@H](O)CN(C)C MCULE-9927679143 [0,0,0,0,1,0|2,0,1]=4 1390 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [0,0,0,0,1,0|2,0,1]=4 1391 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [0,0,0,0,1,0|2,0,1]=4 1392 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [0,0,0,0,1,0|2,0,1]=4 1393 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,0,0,0,1,0|1,0,0]=2 1394 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,0,0,0,1,0|1,0,0]=2 1395 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,0,0,0,1,0|1,0,0]=2 1396 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,0,0,0,1,0|1,0,0]=2 1397 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,0,0,0,1,0|1,0,0]=2 1398 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,0,0,0,1,0|1,0,0]=2 1399 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,1,0|1,0,0]=2 1400 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,1,0|1,0,0]=2 1401 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,0,0,0,1,0|1,0,1]=3 1402 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,0,0,0,1,0|1,0,1]=3 1403 B6R0.2 C[C@H](O)CN(C)C MCULE-4542650002 [0,0,0,0,1,0|2,0,1]=4 1404 B6R0.2 C[C@H](O)CN(C)C MCULE-4717676519 [0,0,0,0,1,0|2,0,1]=4 1405 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [0,0,0,0,1,0|2,0,1]=4 1406 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [0,0,0,0,1,0|2,0,1]=4 1407 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [0,0,0,0,1,0|1,0,1]=3 1408 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [0,0,0,0,1,0|1,0,1]=3 1409 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,1,0|2,0,1]=4 1410 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,0,0,0,1,0|2,0,0]=3 1411 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,0,0,0,1,0|2,0,0]=3 1412 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,0,0,0,1,0|3,0,0]=4 1413 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,1,0|2,0,1]=4 1414 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,0,0,0,1,0|2,0,0]=3 1415 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,0,0,0,1,0|3,0,0]=4 1416 B6R0.2 P(=O)([O-])OC(C)C MCULE-5865480150 [0,0,0,0,1,0|2,0,1]=4 1417 B6R0.2 P(=O)([O-])OC(C)C MCULE-7393903455 [0,0,0,0,1,0|2,0,1]=4 1418 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,0,0,0,0,1|1,0,2]=4 1419 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,0,0,0,0,1|0,0,2]=3 1420 B8R0.28 C=C(C)CCCC(C)C MCULE-5830488183 [0,0,0,0,0,1|2,0,0]=3 1421 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,0,0,0,0,1|1,0,2]=4 1422 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,0,0,0,0,1|0,0,1]=2 1423 B8R0.28 CC(=CCCC(C)C)Br MCULE-8539278626 [0,0,0,0,0,1|2,0,0]=3 1424 B8R0.28 CC(=CCCC(C)N)C MCULE-4339510061 [0,0,0,0,0,1|3,0,0]=4 1425 B8R0.28 CC(=CCCC(C)O)C MCULE-6046871097 [0,0,0,0,0,1|1,0,2]=4 1426 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-5913564496 [0,0,0,0,0,1|1,0,2]=4 1427 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-8239445037 [0,0,0,0,0,1|1,0,2]=4 1428 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-3685132186 [0,0,0,0,0,1|1,0,2]=4 1429 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-7339160655 [0,0,0,0,0,1|1,0,2]=4 1430 B8R0.28 CC(=O)/C=C/CC(C)C MCULE-3347834086 [0,0,0,0,0,1|1,0,1]=3 1431 B8R0.28 CC(=O)C=CCC(C)C MCULE-7397904120 [0,0,0,0,0,1|1,0,1]=3 1432 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,0,0,0,0,1|1,0,2]=4 1433 B8R0.28 CC(=O)CC=CC(C)C MCULE-1638476368 [0,0,0,0,0,1|1,0,1]=3 1434 B8R0.28 CC(=O)CCC=C(C)C MCULE-3832720881 [0,0,0,0,0,1|1,0,1]=3 1435 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,0,0,0,0,1|2,0,1]=4 1436 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,0,0,0,0,1|2,0,1]=4 1437 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,0,0,0,1|1,0,1]=3 1438 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [0,0,0,0,0,1|1,0,0]=2 1439 B8R0.28 CC(=O)CCCN(C)C MCULE-8876627134 [0,0,0,0,0,1|2,0,0]=3 1440 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [0,0,0,0,0,1|2,0,1]=4 1441 B8R0.28 CC(=O)CCOC(C)C MCULE-5907441510 [0,0,0,0,0,1|1,0,0]=2 1442 B8R0.28 CC(=O)CNCC(C)C MCULE-3943786157 [0,0,0,0,0,1|1,0,0]=2 1443 B8R0.28 CC(=O)CNCC(C)C MCULE-9329085422 [0,0,0,0,0,1|1,0,0]=2 1444 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [0,0,0,0,0,1|2,0,1]=4 1445 B8R0.28 CC(=O)CSCC(C)C MCULE-1710631404 [0,0,0,0,0,1|1,0,0]=2 1446 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,0,0,0,0,1|2,0,1]=4 1447 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,0,1|1,0,1]=3 1448 B8R0.28 CC(=O)NCCC(C)C MCULE-7572826846 [0,0,0,0,0,1|1,0,0]=2 1449 B8R0.28 CC(=O)NCCS(=O)C MCULE-1283027669 [0,0,0,0,0,1|3,0,0]=4 1450 B8R0.28 CC(=O)OCC=C(C)C MCULE-1590395935 [0,0,0,0,0,1|1,0,2]=4 1451 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,0,0,0,1|1,0,1]=3 1452 B8R0.28 CC(=O)OCCC(C)C MCULE-3274854886 [0,0,0,0,0,1|1,0,0]=2 1453 B8R0.28 CC(=O)OCCN(C)C MCULE-2915953466 [0,0,0,0,0,1|2,0,0]=3 1454 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [0,0,0,0,0,1|2,0,1]=4 1455 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,0,0,0,1|1,0,1]=3 1456 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [0,0,0,0,0,1|0,0,1]=2 1457 B8R0.28 CC(C)C/C=C/B(O)O MCULE-5702659904 [0,0,0,0,0,1|1,0,2]=4 1458 B8R0.28 CC(C)C/C=C/N(=O)=O MCULE-5334415394 [0,0,0,0,0,1|1,0,2]=4 1459 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [0,0,0,0,0,1|0,0,1]=2 1460 B8R0.28 CC(C)CC=CB(O)O MCULE-6244763779 [0,0,0,0,0,1|1,0,2]=4 1461 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [0,0,0,0,0,1|0,0,1]=2 1462 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,0,0,0,0,1|0,0,0]=1 1463 B8R0.28 CC(C)CCCC(C)N MCULE-6797729647 [0,0,0,0,0,1|2,0,1]=4 1464 B8R0.28 CC(C)CCCC(C)O MCULE-6655675430 [0,0,0,0,0,1|1,0,1]=3 1465 B8R0.28 CC(C)CCCC(C)[NH3+] MCULE-1949973327 [0,0,0,0,0,1|2,0,1]=4 1466 B8R0.28 CC(C)CCCN(=O)=O MCULE-2817926193 [0,0,0,0,0,1|1,0,1]=3 1467 B8R0.28 CC(C)CCNC(=O)N MCULE-7857218878 [0,0,0,0,0,1|1,0,0]=2 1468 B8R0.28 CC(C)CCNC(=S)N MCULE-3531703173 [0,0,0,0,0,1|1,1,0]=3 1469 B8R0.28 CC(C)CCOC(=O)Cl MCULE-1140125816 [0,0,0,0,0,1|1,0,0]=2 1470 B8R0.28 CC(C)CCOC(=S)[S-] MCULE-5735238485 [0,0,0,0,0,1|0,2,0]=3 1471 B8R0.28 CC(C)CCOC(=S)[S-] MCULE-6041602768 [0,0,0,0,0,1|0,2,0]=3 1472 B8R0.28 CC(C)CCON(=O)=O MCULE-4421216319 [0,0,0,0,0,1|1,0,1]=3 1473 B8R0.28 CC(C)CCSC(=N)N MCULE-2814891417 [0,0,0,0,0,1|2,0,0]=3 1474 B8R0.28 CC(C)CCSC(=N)N MCULE-6341574593 [0,0,0,0,0,1|2,0,0]=3 1475 B8R0.28 CC(C)CNCC(=O)N MCULE-6834225327 [0,0,0,0,0,1|1,0,0]=2 1476 B8R0.28 CC(C)CNCC(=O)N MCULE-8464570977 [0,0,0,0,0,1|1,0,0]=2 1477 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [0,0,0,0,0,1|0,0,0]=1 1478 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [0,0,0,0,0,1|0,0,0]=1 1479 B8R0.28 CC(C)CNCC(C)C MCULE-4641218286 [0,0,0,0,0,1|2,0,1]=4 1480 B8R0.28 CC(C)CNCC(C)C MCULE-7558581759 [0,0,0,0,0,1|2,0,1]=4 1481 B8R0.28 CC(C)CNCC(C)O MCULE-5110606510 [0,0,0,0,0,1|1,0,1]=3 1482 B8R0.28 CC(C)COCC(=O)N MCULE-8148336060 [0,0,0,0,0,1|1,0,0]=2 1483 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [0,0,0,0,0,1|0,0,0]=1 1484 B8R0.28 CC(C)COCC(C)C MCULE-5674609142 [0,0,0,0,0,1|2,0,1]=4 1485 B8R0.28 CC(C)COCC(C)O MCULE-2243697829 [0,0,0,0,0,1|1,0,1]=3 1486 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [0,0,0,0,0,1|0,0,0]=1 1487 B8R0.28 CC(C)CSCC(C)C MCULE-4278920085 [0,0,0,0,0,1|2,0,1]=4 1488 B8R0.28 CC(C)NCCC(=O)N MCULE-4812986605 [0,0,0,0,0,1|1,0,0]=2 1489 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [0,0,0,0,0,1|0,0,0]=1 1490 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [0,0,0,0,0,1|0,0,0]=1 1491 B8R0.28 CC(C)NCCN(C)C MCULE-3539535796 [0,0,0,0,0,1|3,0,0]=4 1492 B8R0.28 CC(C)NCCN(C)C MCULE-8256872219 [0,0,0,0,0,1|3,0,0]=4 1493 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [0,0,0,0,0,1|0,0,0]=1 1494 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [0,0,0,0,0,1|0,0,0]=1 1495 B8R0.28 CC(Cl)CCCC(=O)Cl MCULE-6993455396 [0,0,0,0,0,1|2,0,0]=3 1496 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,0,0,0,0,1|1,0,0]=2 1497 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [0,0,0,0,0,1|1,0,1]=3 1498 B8R0.28 CC(O)CNCC(C)O MCULE-2715190259 [0,0,0,0,0,1|2,0,1]=4 1499 B8R0.28 CC(O)COCC(C)O MCULE-9464290948 [0,0,0,0,0,1|2,0,1]=4 1500 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2726508724 [0,0,0,0,0,1|1,0,1]=3 1501 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2945466855 [0,0,0,0,0,1|1,0,1]=3 1502 B8R0.28 CN(C)CC#CC(=O)O MCULE-3155038032 [0,0,0,0,0,1|1,0,1]=3 1503 B8R0.28 CN(C)CC#CC(=O)O MCULE-3234500613 [0,0,0,0,0,1|1,0,1]=3 1504 B8R0.28 CN(C)CC#CC(=O)[O-] MCULE-1783042987 [0,0,0,0,0,1|1,0,2]=4 1505 B8R0.28 CN(C)CC=CC(=O)O MCULE-5265576987 [0,0,0,0,0,1|1,0,1]=3 1506 B8R0.28 CN(C)CC=CC(=O)O MCULE-6262530852 [0,0,0,0,0,1|1,0,1]=3 1507 B8R0.28 CN(C)CCCC(=O)Cl MCULE-4211417336 [0,0,0,0,0,1|2,0,0]=3 1508 B8R0.28 CN(C)CCCC(=O)Cl MCULE-6854328742 [0,0,0,0,0,1|2,0,0]=3 1509 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,0,0,0,0,1|1,0,0]=2 1510 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,0,0,0,0,1|1,0,0]=2 1511 B8R0.28 CN(C)CCNC(=N)N MCULE-7208545071 [0,0,0,0,0,1|3,0,0]=4 1512 B8R0.28 CN(C)CCNC(=O)N MCULE-5420989663 [0,0,0,0,0,1|2,0,0]=3 1513 B8R0.28 CN(C)CCNC(=O)N MCULE-6784836791 [0,0,0,0,0,1|2,0,0]=3 1514 B8R0.28 CN(C)CCNC(=S)N MCULE-5710279007 [0,0,0,0,0,1|2,1,0]=4 1515 B8R0.28 CN(C)CCNC(=S)N MCULE-5969623703 [0,0,0,0,0,1|2,1,0]=4 1516 B8R0.28 CN(C)CCNC(=S)S MCULE-8976198252 [0,0,0,0,0,1|1,2,0]=4 1517 B8R0.28 CN(C)CCNC(=S)[S-] MCULE-8751915048 [0,0,0,0,0,1|1,2,0]=4 1518 B8R0.28 CN(C)CCSC(=N)N MCULE-6198414952 [0,0,0,0,0,1|3,0,0]=4 1519 B8R0.28 CN(C)CCSC(=N)N MCULE-7791127793 [0,0,0,0,0,1|3,0,0]=4 1520 B8R0.28 CN(C)CCSC(=N)N MCULE-9666429478 [0,0,0,0,0,1|3,0,0]=4 1521 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,0,0,0,0,1|2,0,1]=4 1522 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,0,0,0,0,1|2,0,1]=4 1523 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,0,0,0,0,1|2,0,1]=4 1524 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [0,0,0,0,0,1|2,0,1]=4 1525 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,0,0,0,0,1|2,0,1]=4 1526 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,0,0,0,0,1|2,0,1]=4 1527 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,0,0,0,0,1|2,0,1]=4 1528 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,0,0,0,0,1|2,0,1]=4 1529 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,0,0,0,0,1|2,0,1]=4 1530 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,0,0,0,0,1|2,0,1]=4 1531 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,0,0,0,0,1|2,0,1]=4 1532 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [0,0,0,0,0,1|2,0,0]=3 1533 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,0,0,0,0,1|3,0,0]=4 1534 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,0,0,0,0,1|2,0,1]=4 1535 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,0,0,0,0,1|2,0,1]=4 1536 B8R0.28 O=C(O)COCC(F)F MCULE-2599944385 [0,0,0,0,0,1|2,0,0]=3 1537 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,0,0,0,0,1|2,0,1]=4 1538 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,0,0,0,0,1|2,0,1]=4 1539 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,0,0,0,0,1|2,0,1]=4 1540 B5R0.1 C#CCC(=O)O MCULE-4680699666 [2,0,0,0,0,0|0,0,2]=4 1541 B5R0.1 C#CCC(C)C MCULE-2506063278 [2,0,0,0,0,0|0,0,2]=4 1542 B5R0.1 C(C)(N)CCC MCULE-4800297905 [2,0,0,0,0,0|1,0,1]=4 1543 B5R0.1 C(C)(N)CCC MCULE-7674864567 [2,0,0,0,0,0|1,0,1]=4 1544 B5R0.1 C(C)(N)CCO MCULE-5545469271 [2,0,0,0,0,0|1,0,0]=3 1545 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|0,0,2]=4 1546 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [2,0,0,0,0,0|1,0,1]=4 1547 B5R0.1 C=C(C)CCC MCULE-8225129744 [2,0,0,0,0,0|2,0,0]=4 1548 B5R0.1 C=C(C)CCO MCULE-2689800711 [2,0,0,0,0,0|0,0,2]=4 1549 B5R0.1 C=CCC(=O)O MCULE-6288979337 [2,0,0,0,0,0|0,0,2]=4 1550 B5R0.1 C=CCC(C)Br MCULE-5638987302 [2,0,0,0,0,0|1,0,1]=4 1551 B5R0.1 C=CCC(C)C MCULE-4586731422 [2,0,0,0,0,0|0,0,1]=3 1552 B5R0.1 C=CCC(C)N MCULE-5354228552 [2,0,0,0,0,0|1,0,1]=4 1553 B5R0.1 C=CCC(C)N MCULE-9454660067 [2,0,0,0,0,0|1,0,1]=4 1554 B5R0.1 C=CCC(C)O MCULE-7724200334 [2,0,0,0,0,0|1,0,1]=4 1555 B5R0.1 C=CCC(C)O MCULE-9910771503 [2,0,0,0,0,0|1,0,1]=4 1556 B5R0.1 C=CCN(C)C MCULE-6958853335 [2,0,0,0,0,0|1,0,1]=4 1557 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [2,0,0,0,0,0|1,0,1]=4 1558 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [2,0,0,0,0,0|1,0,1]=4 1559 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [2,0,0,0,0,0|1,0,1]=4 1560 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [2,0,0,0,0,0|1,0,1]=4 1561 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [2,0,0,0,0,0|1,0,1]=4 1562 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [2,0,0,0,0,0|1,0,1]=4 1563 B5R0.1 C=COC(C)C MCULE-6339383821 [2,0,0,0,0,0|1,0,1]=4 1564 B5R0.1 CC#CC(=O)O MCULE-9994142213 [2,0,0,0,0,0|0,0,2]=4 1565 B5R0.1 CC(=CC=O)C MCULE-7002222435 [2,0,0,0,0,0|0,0,2]=4 1566 B5R0.1 CC(=CCO)C MCULE-3984123588 [2,0,0,0,0,0|0,0,2]=4 1567 B5R0.1 CC(=O)CCBr MCULE-2615300206 [2,0,0,0,0,0|2,0,0]=4 1568 B5R0.1 CC(=O)CCCl MCULE-8019748964 [2,0,0,0,0,0|2,0,0]=4 1569 B5R0.1 CC(=O)CCN MCULE-7550348751 [2,0,0,0,0,0|2,0,0]=4 1570 B5R0.1 CC(=O)CCN MCULE-9519063810 [2,0,0,0,0,0|2,0,0]=4 1571 B5R0.1 CC(=O)CCO MCULE-6328537335 [2,0,0,0,0,0|1,0,1]=4 1572 B5R0.1 CC(Br)CCBr MCULE-1045475402 [2,0,0,0,0,0|2,0,0]=4 1573 B5R0.1 CC(C)/C=N/O MCULE-3201457095 [2,0,0,0,0,0|1,0,1]=4 1574 B5R0.1 CC(C)C=NO MCULE-9842574696 [2,0,0,0,0,0|1,0,1]=4 1575 B5R0.1 CC(C)CC#N MCULE-4346986727 [2,0,0,0,0,0|1,0,1]=4 1576 B5R0.1 CC(C)CC=O MCULE-2939497534 [2,0,0,0,0,0|0,0,0]=2 1577 B5R0.1 CC(C)CCBr MCULE-7163010428 [2,0,0,0,0,0|1,0,0]=3 1578 B5R0.1 CC(C)CCCl MCULE-8360122696 [2,0,0,0,0,0|1,0,0]=3 1579 B5R0.1 CC(C)CCCl MCULE-9017922949 [2,0,0,0,0,0|1,0,0]=3 1580 B5R0.1 CC(C)CCI MCULE-4934529500 [2,0,0,0,0,0|1,0,0]=3 1581 B5R0.1 CC(C)CCN MCULE-3081003576 [2,0,0,0,0,0|1,0,0]=3 1582 B5R0.1 CC(C)CCN MCULE-5118782389 [2,0,0,0,0,0|1,0,0]=3 1583 B5R0.1 CC(C)CCN MCULE-5217981670 [2,0,0,0,0,0|1,0,0]=3 1584 B5R0.1 CC(C)CCN MCULE-6280940933 [2,0,0,0,0,0|1,0,0]=3 1585 B5R0.1 CC(C)CCO MCULE-7411270401 [2,0,0,0,0,0|0,0,0]=2 1586 B5R0.1 CC(C)CCS MCULE-7115473363 [2,0,0,0,0,0|0,1,0]=3 1587 B5R0.1 CC(C)CNN MCULE-6797887001 [2,0,0,0,0,0|2,0,0]=4 1588 B5R0.1 CC(C)CNN MCULE-9592971233 [2,0,0,0,0,0|2,0,0]=4 1589 B5R0.1 CC(C)CNN MCULE-9725792452 [2,0,0,0,0,0|2,0,0]=4 1590 B5R0.1 CC(C)CON MCULE-3476786246 [2,0,0,0,0,0|2,0,0]=4 1591 B5R0.1 CC(C)CON MCULE-4450654727 [2,0,0,0,0,0|2,0,0]=4 1592 B5R0.1 CC(C)N=C=O MCULE-8392299675 [2,0,0,0,0,0|1,0,1]=4 1593 B5R0.1 CC(C)NC=O MCULE-1764010394 [2,0,0,0,0,0|1,0,0]=3 1594 B5R0.1 CC(C)OC=O MCULE-8263698122 [2,0,0,0,0,0|1,0,0]=3 1595 B5R0.1 CC(C)OCCl MCULE-3680602217 [2,0,0,0,0,0|2,0,0]=4 1596 B5R0.1 CC(C)SCCl MCULE-3836735379 [2,0,0,0,0,0|2,0,0]=4 1597 B5R0.1 CC(Cl)CCCl MCULE-3656498608 [2,0,0,0,0,0|2,0,0]=4 1598 B5R0.1 CC(Cl)CCO MCULE-1955496242 [2,0,0,0,0,0|1,0,0]=3 1599 B5R0.1 CC(F)CCBr MCULE-3035340901 [2,0,0,0,0,0|2,0,0]=4 1600 B5R0.1 CC(F)CCI MCULE-6469250150 [2,0,0,0,0,0|2,0,0]=4 1601 B5R0.1 CC(F)CCN MCULE-2805813131 [2,0,0,0,0,0|2,0,0]=4 1602 B5R0.1 CC(F)CCN MCULE-5849913362 [2,0,0,0,0,0|2,0,0]=4 1603 B5R0.1 CC(N)CCN MCULE-5308134596 [2,0,0,0,0,0|2,0,0]=4 1604 B5R0.1 CC(N)CCN MCULE-5880045507 [2,0,0,0,0,0|2,0,0]=4 1605 B5R0.1 CC(N)CCN MCULE-7827515430 [2,0,0,0,0,0|2,0,0]=4 1606 B5R0.1 CC(N)CCO MCULE-1771399942 [2,0,0,0,0,0|1,0,0]=3 1607 B5R0.1 CC(N)CCO MCULE-7239872808 [2,0,0,0,0,0|1,0,0]=3 1608 B5R0.1 CC(O)CCBr MCULE-7983169885 [2,0,0,0,0,0|2,0,0]=4 1609 B5R0.1 CC(O)CCCl MCULE-2952545606 [2,0,0,0,0,0|2,0,0]=4 1610 B5R0.1 CC(O)CCN MCULE-6836791276 [2,0,0,0,0,0|2,0,0]=4 1611 B5R0.1 CC(O)CCN MCULE-7186260925 [2,0,0,0,0,0|2,0,0]=4 1612 B5R0.1 CC(O)CCO MCULE-1694239851 [2,0,0,0,0,0|1,0,0]=3 1613 B5R0.1 CC(O)CCO MCULE-7784884948 [2,0,0,0,0,0|1,0,0]=3 1614 B5R0.1 CC(S)CCO MCULE-5702212503 [2,0,0,0,0,0|1,0,0]=3 1615 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|0,0,2]=4 1616 B5R0.1 CC=CC(C)C MCULE-9898453837 [2,0,0,0,0,0|1,0,1]=4 1617 B5R0.1 CCCB(O)O MCULE-4994980798 [2,0,0,0,0,0|1,0,1]=4 1618 B5R0.1 CCCC(=N)N MCULE-5974105638 [2,0,0,0,0,0|2,0,0]=4 1619 B5R0.1 CCCC(=N)N MCULE-9230704591 [2,0,0,0,0,0|2,0,0]=4 1620 B5R0.1 CCCC(=O)C MCULE-7174095676 [2,0,0,0,0,0|1,0,0]=3 1621 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [2,0,0,0,0,0|1,0,0]=3 1622 B5R0.1 CCCC(=O)N MCULE-2712067671 [2,0,0,0,0,0|1,0,0]=3 1623 B5R0.1 CCCC(=O)O MCULE-4116382006 [2,0,0,0,0,0|0,0,0]=2 1624 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [2,0,0,0,0,0|0,0,1]=3 1625 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [2,0,0,0,0,0|0,0,1]=3 1626 B5R0.1 CCCC(=S)N MCULE-3529335988 [2,0,0,0,0,0|1,1,0]=4 1627 B5R0.1 CCCC(=S)O MCULE-3382199964 [2,0,0,0,0,0|0,1,0]=3 1628 B5R0.1 CCCC(C)Br MCULE-3178073667 [2,0,0,0,0,0|1,0,1]=4 1629 B5R0.1 CCCC(C)C MCULE-9604552974 [2,0,0,0,0,0|0,0,1]=3 1630 B5R0.1 CCCC(C)N MCULE-2640298430 [2,0,0,0,0,0|1,0,1]=4 1631 B5R0.1 CCCC(C)N MCULE-7225905167 [2,0,0,0,0,0|1,0,1]=4 1632 B5R0.1 CCCC(C)O MCULE-8205906299 [2,0,0,0,0,0|1,0,1]=4 1633 B5R0.1 CCCC(C)S MCULE-1649095713 [2,0,0,0,0,0|1,0,1]=4 1634 B5R0.1 CCCC(O)Cl MCULE-3188577082 [2,0,0,0,0,0|1,0,1]=4 1635 B5R0.1 CCCN(=O)=O MCULE-5615753372 [2,0,0,0,0,0|1,0,1]=4 1636 B5R0.1 CCCN(C)C MCULE-8702643596 [2,0,0,0,0,0|1,0,1]=4 1637 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [2,0,0,0,0,0|1,0,1]=4 1638 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [2,0,0,0,0,0|1,0,1]=4 1639 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [2,0,0,0,0,0|1,0,1]=4 1640 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [2,0,0,0,0,0|1,0,1]=4 1641 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [2,0,0,0,0,0|1,0,1]=4 1642 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [2,0,0,0,0,0|1,0,1]=4 1643 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [2,0,0,0,0,0|1,0,1]=4 1644 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [2,0,0,0,0,0|1,0,1]=4 1645 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [2,0,0,0,0,0|1,0,1]=4 1646 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [2,0,0,0,0,0|1,0,1]=4 1647 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [2,0,0,0,0,0|1,0,1]=4 1648 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [2,0,0,0,0,0|1,0,1]=4 1649 B5R0.1 CCNC(=O)C MCULE-7543656350 [2,0,0,0,0,0|2,0,0]=4 1650 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [2,0,0,0,0,0|2,0,0]=4 1651 B5R0.1 CCNC(=O)N MCULE-1913599861 [2,0,0,0,0,0|2,0,0]=4 1652 B5R0.1 CCNC(C)C MCULE-8064118469 [2,0,0,0,0,0|1,0,1]=4 1653 B5R0.1 CCOC(=O)C MCULE-6628539781 [2,0,0,0,0,0|2,0,0]=4 1654 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [2,0,0,0,0,0|2,0,0]=4 1655 B5R0.1 CCOC(=O)N MCULE-1776877276 [2,0,0,0,0,0|2,0,0]=4 1656 B5R0.1 CCOC(C)C MCULE-1934548340 [2,0,0,0,0,0|1,0,1]=4 1657 B5R0.1 CCSC(=O)C MCULE-8015440229 [2,0,0,0,0,0|2,0,0]=4 1658 B5R0.1 CCSC(C)C MCULE-3738251898 [2,0,0,0,0,0|1,0,1]=4 1659 B5R0.1 CN(C)CC=O MCULE-1229218563 [2,0,0,0,0,0|1,0,0]=3 1660 B5R0.1 CN(C)CC=O MCULE-3577561950 [2,0,0,0,0,0|1,0,0]=3 1661 B5R0.1 CN(C)CC=O MCULE-4493766862 [2,0,0,0,0,0|1,0,0]=3 1662 B5R0.1 CN(C)CC=O MCULE-8123455398 [2,0,0,0,0,0|1,0,0]=3 1663 B5R0.1 CN(C)CCBr MCULE-4844398053 [2,0,0,0,0,0|2,0,0]=4 1664 B5R0.1 CN(C)CCCl MCULE-4297554717 [2,0,0,0,0,0|2,0,0]=4 1665 B5R0.1 CN(C)CCCl MCULE-4465544992 [2,0,0,0,0,0|2,0,0]=4 1666 B5R0.1 CN(C)CCI MCULE-4687894526 [2,0,0,0,0,0|2,0,0]=4 1667 B5R0.1 CN(C)CCI MCULE-7464680246 [2,0,0,0,0,0|2,0,0]=4 1668 B5R0.1 CN(C)CCI MCULE-9051868668 [2,0,0,0,0,0|2,0,0]=4 1669 B5R0.1 CN(C)CCN MCULE-6693759372 [2,0,0,0,0,0|2,0,0]=4 1670 B5R0.1 CN(C)CCN MCULE-6929925748 [2,0,0,0,0,0|2,0,0]=4 1671 B5R0.1 CN(C)CCN MCULE-7881547574 [2,0,0,0,0,0|2,0,0]=4 1672 B5R0.1 CN(C)CCO MCULE-5715813465 [2,0,0,0,0,0|1,0,0]=3 1673 B5R0.1 CN(C)CCO MCULE-7567469160 [2,0,0,0,0,0|1,0,0]=3 1674 B5R0.1 CN(C)CCO MCULE-9024108074 [2,0,0,0,0,0|1,0,0]=3 1675 B5R0.1 CN(C)CCS MCULE-4356815596 [2,0,0,0,0,0|1,1,0]=4 1676 B5R0.1 CN(C)CCS MCULE-4611688723 [2,0,0,0,0,0|1,1,0]=4 1677 B5R0.1 CN(C)CCS MCULE-6259585517 [2,0,0,0,0,0|1,1,0]=4 1678 B5R0.1 CN(C)NC=O MCULE-1557896286 [2,0,0,0,0,0|2,0,0]=4 1679 B5R0.1 CNCC(=O)C MCULE-3695443024 [2,0,0,0,0,0|2,0,0]=4 1680 B5R0.1 CNCC(=O)C MCULE-7402723072 [2,0,0,0,0,0|2,0,0]=4 1681 B5R0.1 CNCC(=O)N MCULE-2328887394 [2,0,0,0,0,0|2,0,0]=4 1682 B5R0.1 CNCC(=O)N MCULE-3031605853 [2,0,0,0,0,0|2,0,0]=4 1683 B5R0.1 CNCC(=O)N MCULE-7300977677 [2,0,0,0,0,0|2,0,0]=4 1684 B5R0.1 CNCC(=O)O MCULE-3448356048 [2,0,0,0,0,0|1,0,0]=3 1685 B5R0.1 CNCC(=O)O MCULE-4484444573 [2,0,0,0,0,0|1,0,0]=3 1686 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [2,0,0,0,0,0|1,0,1]=4 1687 B5R0.1 CNCC(C)C MCULE-6582386339 [2,0,0,0,0,0|1,0,1]=4 1688 B5R0.1 CNCC(C)C MCULE-6856717783 [2,0,0,0,0,0|1,0,1]=4 1689 B5R0.1 COCC(=O)C MCULE-7262197587 [2,0,0,0,0,0|2,0,0]=4 1690 B5R0.1 COCC(=O)Cl MCULE-5449267495 [2,0,0,0,0,0|2,0,0]=4 1691 B5R0.1 COCC(=O)N MCULE-6674958132 [2,0,0,0,0,0|2,0,0]=4 1692 B5R0.1 COCC(=O)O MCULE-3945589151 [2,0,0,0,0,0|1,0,0]=3 1693 B5R0.1 CS(=O)CCO MCULE-8331553582 [2,0,0,0,0,0|2,0,0]=4 1694 B5R0.1 CSCC(=O)C MCULE-4131794172 [2,0,0,0,0,0|2,0,0]=4 1695 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [2,0,0,0,0,0|2,0,0]=4 1696 B5R0.1 CSCC(=O)N MCULE-4865579476 [2,0,0,0,0,0|2,0,0]=4 1697 B5R0.1 CSCC(=O)O MCULE-7003418159 [2,0,0,0,0,0|1,0,0]=3 1698 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [2,0,0,0,0,0|1,0,0]=3 1699 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [2,0,0,0,0,0|1,0,0]=3 1700 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [2,0,0,0,0,0|2,0,0]=4 1701 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [2,0,0,0,0,0|2,0,0]=4 1702 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [2,0,0,0,0,0|2,0,0]=4 1703 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [2,0,0,0,0,0|2,0,0]=4 1704 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [2,0,0,0,0,0|1,0,0]=3 1705 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [2,0,0,0,0,0|1,0,0]=3 1706 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [2,0,0,0,0,0|1,0,0]=3 1707 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [2,0,0,0,0,0|1,0,0]=3 1708 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [2,0,0,0,0,0|1,0,0]=3 1709 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [2,0,0,0,0,0|1,0,0]=3 1710 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [2,0,0,0,0,0|2,0,0]=4 1711 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [2,0,0,0,0,0|2,0,0]=4 1712 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [2,0,0,0,0,0|1,0,0]=3 1713 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [2,0,0,0,0,0|1,0,0]=3 1714 B5R0.1 C[NH+](C)CCBr MCULE-4990293495 [2,0,0,0,0,0|2,0,0]=4 1715 B5R0.1 C[S+](C)CCCl MCULE-1305595131 [2,0,0,0,0,0|2,0,0]=4 1716 B5R0.1 C[S+](C)CCCl MCULE-9761617787 [2,0,0,0,0,0|2,0,0]=4 1717 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [2,0,0,0,0,0|2,0,0]=4 1718 B5R0.1 N#CCC(=O)O MCULE-3440765061 [2,0,0,0,0,0|1,0,1]=4 1719 B5R0.1 NC(=O)CCBr MCULE-3930714776 [2,0,0,0,0,0|2,0,0]=4 1720 B5R0.1 NC(=O)CCCl MCULE-8300320959 [2,0,0,0,0,0|2,0,0]=4 1721 B5R0.1 NC(=O)CCO MCULE-4026170350 [2,0,0,0,0,0|2,0,0]=4 1722 B5R0.1 NC(=O)CCS MCULE-7451827717 [2,0,0,0,0,0|2,0,0]=4 1723 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [2,0,0,0,0,0|2,0,0]=4 1724 B5R0.1 NCCC(=O)N MCULE-2899414135 [2,0,0,0,0,0|2,0,0]=4 1725 B5R0.1 NCCC(=O)N MCULE-6993286668 [2,0,0,0,0,0|2,0,0]=4 1726 B5R0.1 NCCC(=O)O MCULE-1344289084 [2,0,0,0,0,0|1,0,0]=3 1727 B5R0.1 NCCC(=O)O MCULE-2298605337 [2,0,0,0,0,0|1,0,0]=3 1728 B5R0.1 NCCC(=O)O MCULE-9375577631 [2,0,0,0,0,0|1,0,0]=3 1729 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [2,0,0,0,0,0|1,0,1]=4 1730 B5R0.1 NCCP(=O)O MCULE-7093964616 [2,0,0,0,0,0|2,0,0]=4 1731 B5R0.1 NCCS(=O)O MCULE-4372248641 [2,0,0,0,0,0|2,0,0]=4 1732 B5R0.1 NNCC(=O)O MCULE-4908184724 [2,0,0,0,0,0|2,0,0]=4 1733 B5R0.1 NNCC(=O)O MCULE-6315598774 [2,0,0,0,0,0|2,0,0]=4 1734 B5R0.1 NOCC(=O)O MCULE-4566186819 [2,0,0,0,0,0|2,0,0]=4 1735 B5R0.1 NOCC(=O)O MCULE-4824237418 [2,0,0,0,0,0|2,0,0]=4 1736 B5R0.1 NOCC(=O)O MCULE-8132180423 [2,0,0,0,0,0|2,0,0]=4 1737 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [2,0,0,0,0,0|2,0,0]=4 1738 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [2,0,0,0,0,0|2,0,0]=4 1739 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [2,0,0,0,0,0|2,0,0]=4 1740 B5R0.1 O=C(O)CCBr MCULE-2816055853 [2,0,0,0,0,0|1,0,0]=3 1741 B5R0.1 O=C(O)CCCl MCULE-8511144183 [2,0,0,0,0,0|1,0,0]=3 1742 B5R0.1 O=C(O)CCF MCULE-4382025684 [2,0,0,0,0,0|1,0,0]=3 1743 B5R0.1 O=C(O)CCI MCULE-3371354708 [2,0,0,0,0,0|1,0,0]=3 1744 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|1,0,0]=3 1745 B5R0.1 O=C(O)CCS MCULE-3211932163 [2,0,0,0,0,0|1,0,0]=3 1746 B5R0.1 O=C(O)CNO MCULE-4437067339 [2,0,0,0,0,0|2,0,0]=4 1747 B5R0.1 O=C([O-])CCO MCULE-4429611588 [2,0,0,0,0,0|1,0,1]=4 1748 B5R0.1 OCCC(F)F MCULE-9207688926 [2,0,0,0,0,0|2,0,0]=4 1749 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [2,0,0,0,0,0|1,0,1]=4 1750 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [2,0,0,0,0,0|1,0,1]=4 1751 B5R0.2 C#CCCC=O MCULE-9994552907 [2,0,0,0,0,0|0,0,2]=4 1752 B5R0.2 C#CCCCC MCULE-5706969297 [2,0,0,0,0,0|1,0,1]=4 1753 B5R0.2 C/C=C/CCC MCULE-9851656818 [2,0,0,0,0,0|1,0,1]=4 1754 B5R0.2 C/C=C\CCC MCULE-1013657748 [2,0,0,0,0,0|1,0,1]=4 1755 B5R0.2 C=CCCC=O MCULE-7850336174 [2,0,0,0,0,0|0,0,2]=4 1756 B5R0.2 C=CCCCBr MCULE-5027518679 [2,0,0,0,0,0|2,0,0]=4 1757 B5R0.2 C=CCCCC MCULE-4750698031 [2,0,0,0,0,0|1,0,0]=3 1758 B5R0.2 C=CCCCCl MCULE-3877430809 [2,0,0,0,0,0|2,0,0]=4 1759 B5R0.2 C=CCCCI MCULE-8692831514 [2,0,0,0,0,0|2,0,0]=4 1760 B5R0.2 C=CCCCN MCULE-5787926547 [2,0,0,0,0,0|2,0,0]=4 1761 B5R0.2 C=CCCCN MCULE-7346989227 [2,0,0,0,0,0|2,0,0]=4 1762 B5R0.2 C=CCCCO MCULE-5946342321 [2,0,0,0,0,0|2,0,0]=4 1763 B5R0.2 C=CCCNC MCULE-2124263362 [2,0,0,0,0,0|2,0,0]=4 1764 B5R0.2 C=CCCNC MCULE-5024925990 [2,0,0,0,0,0|2,0,0]=4 1765 B5R0.2 C=CCCOC MCULE-4681354270 [2,0,0,0,0,0|2,0,0]=4 1766 B5R0.2 C=CCNCC MCULE-6987567673 [2,0,0,0,0,0|2,0,0]=4 1767 B5R0.2 C=CCNCC MCULE-8318544337 [2,0,0,0,0,0|2,0,0]=4 1768 B5R0.2 C=CCOCC MCULE-4363356618 [2,0,0,0,0,0|2,0,0]=4 1769 B5R0.2 C=CCSCC MCULE-3816911529 [2,0,0,0,0,0|2,0,0]=4 1770 B5R0.2 C=COCCC MCULE-4423853666 [2,0,0,0,0,0|2,0,0]=4 1771 B5R0.2 CC#CCC=O MCULE-6071390808 [2,0,0,0,0,0|0,0,2]=4 1772 B5R0.2 CC/C=C/C=O MCULE-5102906061 [2,0,0,0,0,0|0,0,2]=4 1773 B5R0.2 CC=CCCC MCULE-8736231124 [2,0,0,0,0,0|1,0,1]=4 1774 B5R0.2 CCC#CC=O MCULE-3889262436 [2,0,0,0,0,0|0,0,2]=4 1775 B5R0.2 CCC=CC=O MCULE-1318250395 [2,0,0,0,0,0|0,0,2]=4 1776 B5R0.2 CCCC=NO MCULE-7364375780 [2,0,0,0,0,0|1,0,1]=4 1777 B5R0.2 CCCCC#N MCULE-4015236167 [2,0,0,0,0,0|1,0,1]=4 1778 B5R0.2 CCCCC=O MCULE-4736782822 [2,0,0,0,0,0|0,0,0]=2 1779 B5R0.2 CCCCCBr MCULE-8513521912 [2,0,0,0,0,0|1,0,1]=4 1780 B5R0.2 CCCCCC MCULE-3465692202 [2,0,0,0,0,0|1,0,1]=4 1781 B5R0.2 CCCCCCl MCULE-4412759460 [2,0,0,0,0,0|1,0,1]=4 1782 B5R0.2 CCCCCF MCULE-6399883281 [2,0,0,0,0,0|1,0,1]=4 1783 B5R0.2 CCCCCI MCULE-4590300793 [2,0,0,0,0,0|1,0,1]=4 1784 B5R0.2 CCCCCN MCULE-3371742982 [2,0,0,0,0,0|1,0,1]=4 1785 B5R0.2 CCCCCN MCULE-4371067300 [2,0,0,0,0,0|1,0,1]=4 1786 B5R0.2 CCCCCN MCULE-6547961798 [2,0,0,0,0,0|1,0,1]=4 1787 B5R0.2 CCCCCN MCULE-7483248760 [2,0,0,0,0,0|1,0,1]=4 1788 B5R0.2 CCCCCO MCULE-8714292632 [2,0,0,0,0,0|0,0,1]=3 1789 B5R0.2 CCCCCS MCULE-5476379340 [2,0,0,0,0,0|0,1,1]=4 1790 B5R0.2 CCCCNC MCULE-9321610906 [2,0,0,0,0,0|2,0,0]=4 1791 B5R0.2 CCCCNN MCULE-6681305566 [2,0,0,0,0,0|2,0,0]=4 1792 B5R0.2 CCCCNN MCULE-6890760890 [2,0,0,0,0,0|2,0,0]=4 1793 B5R0.2 CCCCNN MCULE-7362497327 [2,0,0,0,0,0|2,0,0]=4 1794 B5R0.2 CCCCNN MCULE-8463623644 [2,0,0,0,0,0|2,0,0]=4 1795 B5R0.2 CCCCNO MCULE-1911206569 [2,0,0,0,0,0|1,0,0]=3 1796 B5R0.2 CCCCNO MCULE-3820646216 [2,0,0,0,0,0|1,0,0]=3 1797 B5R0.2 CCCCOC MCULE-9814272675 [2,0,0,0,0,0|2,0,0]=4 1798 B5R0.2 CCCCON MCULE-7582349983 [2,0,0,0,0,0|2,0,0]=4 1799 B5R0.2 CCCCON MCULE-8175627798 [2,0,0,0,0,0|2,0,0]=4 1800 B5R0.2 CCCCSC MCULE-2799775567 [2,0,0,0,0,0|2,0,0]=4 1801 B5R0.2 CCCN=C=O MCULE-9014468293 [2,0,0,0,0,0|1,0,1]=4 1802 B5R0.2 CCCNC=O MCULE-6344556391 [2,0,0,0,0,0|1,0,0]=3 1803 B5R0.2 CCCOC=O MCULE-3133604529 [2,0,0,0,0,0|1,0,0]=3 1804 B5R0.2 CCNCCO MCULE-2537734730 [2,0,0,0,0,0|1,0,1]=4 1805 B5R0.2 CCNCCO MCULE-3738714907 [2,0,0,0,0,0|1,0,1]=4 1806 B5R0.2 CCOCCO MCULE-4311513289 [2,0,0,0,0,0|1,0,1]=4 1807 B5R0.2 CCSCC=O MCULE-8069035019 [2,0,0,0,0,0|1,0,0]=3 1808 B5R0.2 CCSCCO MCULE-3557086162 [2,0,0,0,0,0|1,0,1]=4 1809 B5R0.2 CNCCCO MCULE-9530478547 [2,0,0,0,0,0|1,0,1]=4 1810 B5R0.2 COCCC=O MCULE-2812117208 [2,0,0,0,0,0|1,0,0]=3 1811 B5R0.2 COCCCO MCULE-4041418048 [2,0,0,0,0,0|1,0,1]=4 1812 B5R0.2 CSCCC=O MCULE-6273241704 [2,0,0,0,0,0|1,0,0]=3 1813 B5R0.2 CSCCCO MCULE-9232413185 [2,0,0,0,0,0|1,0,1]=4 1814 B5R0.2 N#CCCC=O MCULE-9521735106 [2,0,0,0,0,0|1,0,1]=4 1815 B5R0.2 NCCCCO MCULE-7395674091 [2,0,0,0,0,0|1,0,1]=4 1816 B5R0.2 O=CCCC=O MCULE-3362810468 [2,0,0,0,0,0|1,0,1]=4 1817 B5R0.2 O=CCCC=O MCULE-3813951568 [2,0,0,0,0,0|1,0,1]=4 1818 B5R0.2 O=CCCCBr MCULE-7239613396 [2,0,0,0,0,0|1,0,0]=3 1819 B5R0.2 O=CCCCCl MCULE-3011225716 [2,0,0,0,0,0|1,0,0]=3 1820 B5R0.2 O=CCCCI MCULE-3153720790 [2,0,0,0,0,0|1,0,0]=3 1821 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|1,0,0]=3 1822 B5R0.2 O=CNCCO MCULE-3688614090 [2,0,0,0,0,0|2,0,0]=4 1823 B5R0.2 O=COCCO MCULE-1922672843 [2,0,0,0,0,0|2,0,0]=4 1824 B5R0.2 OC=CCCBr MCULE-3964604828 [2,0,0,0,0,0|1,0,1]=4 1825 B5R0.2 OC=CCCBr MCULE-5728835735 [2,0,0,0,0,0|1,0,1]=4 1826 B5R0.2 OCCCCBr MCULE-9231591925 [2,0,0,0,0,0|1,0,1]=4 1827 B5R0.2 OCCCCCl MCULE-3507644812 [2,0,0,0,0,0|1,0,1]=4 1828 B5R0.2 OCCCCF MCULE-9242285588 [2,0,0,0,0,0|1,0,1]=4 1829 B5R0.2 OCCCCI MCULE-8723720522 [2,0,0,0,0,0|1,0,1]=4 1830 B5R0.2 OCCCCO MCULE-2010022287 [2,0,0,0,0,0|1,0,1]=4 1831 B5R0.2 OCCCCO MCULE-6551106098 [2,0,0,0,0,0|1,0,1]=4 1832 B5R0.2 OCCCCS MCULE-8169490949 [2,0,0,0,0,0|1,0,1]=4 1833 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [1,1,0,0,0,0|0,0,2]=4 1834 B7R0.2 C#CC(O)CC(C)C MCULE-1610080651 [1,1,0,0,0,0|1,0,1]=4 1835 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [1,1,0,0,0,0|1,0,0]=3 1836 B7R0.2 C/C(=N\O)/CC(C)C MCULE-1223937315 [1,1,0,0,0,0|1,0,1]=4 1837 B7R0.2 C=C(C)CC(C)CC MCULE-1001667584 [1,1,0,0,0,0|2,0,0]=4 1838 B7R0.2 C=CC(=O)CC(C)C MCULE-2912404970 [1,1,0,0,0,0|1,0,1]=4 1839 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [1,1,0,0,0,0|0,0,2]=4 1840 B7R0.2 C=CC(C)CC(C)C MCULE-9111388336 [1,1,0,0,0,0|1,0,0]=3 1841 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [1,1,0,0,0,0|0,0,2]=4 1842 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [1,1,0,0,0,0|0,0,2]=4 1843 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [1,1,0,0,0,0|0,0,2]=4 1844 B7R0.2 C=CC(O)CC(C)C MCULE-7389371130 [1,1,0,0,0,0|1,0,0]=3 1845 B7R0.2 CC(=NO)CC(C)C MCULE-1446840557 [1,1,0,0,0,0|1,0,1]=4 1846 B7R0.2 CC(C)C/C(=N/O)/N MCULE-1815154611 [1,1,0,0,0,0|1,0,1]=4 1847 B7R0.2 CC(C)CC(Br)C#N MCULE-9662479066 [1,1,0,0,0,0|1,0,1]=4 1848 B7R0.2 CC(C)CC(C)C=O MCULE-4209363554 [1,1,0,0,0,0|0,0,0]=2 1849 B7R0.2 CC(C)CC(C)CBr MCULE-6800285380 [1,1,0,0,0,0|1,0,1]=4 1850 B7R0.2 CC(C)CC(C)CO MCULE-5856507691 [1,1,0,0,0,0|0,0,1]=3 1851 B7R0.2 CC(C)CC(N)C#N MCULE-6709039264 [1,1,0,0,0,0|1,0,1]=4 1852 B7R0.2 CC(C)CC(N)C#N MCULE-7842524393 [1,1,0,0,0,0|1,0,1]=4 1853 B7R0.2 CC(C)CC(N)CF MCULE-3937400151 [1,1,0,0,0,0|1,0,1]=4 1854 B7R0.2 CC(C)CC(N)CF MCULE-7951827838 [1,1,0,0,0,0|1,0,1]=4 1855 B7R0.2 CC(C)CC(N)CN MCULE-3441513735 [1,1,0,0,0,0|1,0,1]=4 1856 B7R0.2 CC(C)CC(N)CO MCULE-6347344178 [1,1,0,0,0,0|0,0,1]=3 1857 B7R0.2 CC(C)CC(N)CO MCULE-7024759986 [1,1,0,0,0,0|0,0,1]=3 1858 B7R0.2 CC(C)CC(N)CS MCULE-8932651812 [1,1,0,0,0,0|0,1,1]=4 1859 B7R0.2 CC(C)CC(O)C#N MCULE-7308674465 [1,1,0,0,0,0|1,0,1]=4 1860 B7R0.2 CC(C)CC(O)CN MCULE-9414833333 [1,1,0,0,0,0|1,0,1]=4 1861 B7R0.2 CC(C)CC(O)CN MCULE-9784331526 [1,1,0,0,0,0|1,0,1]=4 1862 B7R0.2 CC(C)CN(C)N=O MCULE-1639713023 [1,1,0,0,0,0|2,0,0]=4 1863 B7R0.2 CC(C)C[C@@H](N)CBr MCULE-4869966214 [1,1,0,0,0,0|1,0,1]=4 1864 B7R0.2 CC(C)C[C@@H](N)CO MCULE-1979401982 [1,1,0,0,0,0|0,0,1]=3 1865 B7R0.2 CC(C)C[C@@H](N)CO MCULE-3025407298 [1,1,0,0,0,0|0,0,1]=3 1866 B7R0.2 CC(C)C[C@H](N)C=O MCULE-3713415627 [1,1,0,0,0,0|0,0,0]=2 1867 B7R0.2 CC(C)C[C@H](N)CBr MCULE-4224057266 [1,1,0,0,0,0|1,0,1]=4 1868 B7R0.2 CC(C)C[C@H](N)CO MCULE-2790872575 [1,1,0,0,0,0|0,0,1]=3 1869 B7R0.2 CC(C)C[C@H](N)CO MCULE-9198147139 [1,1,0,0,0,0|0,0,1]=3 1870 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [1,1,0,0,0,0|2,0,0]=4 1871 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [1,1,0,0,0,0|2,0,0]=4 1872 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [1,1,0,0,0,0|2,0,0]=4 1873 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [1,1,0,0,0,0|1,0,0]=3 1874 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [1,1,0,0,0,0|1,0,0]=3 1875 B7R0.2 CC(CO)CN(C)C MCULE-3103307387 [1,1,0,0,0,0|1,0,1]=4 1876 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [1,1,0,0,0,0|0,0,2]=4 1877 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [1,1,0,0,0,0|1,0,1]=4 1878 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [1,1,0,0,0,0|0,0,1]=3 1879 B7R0.2 CCC(C)CB(O)O MCULE-4978906892 [1,1,0,0,0,0|1,0,1]=4 1880 B7R0.2 CCC(C)CC(=N)N MCULE-6434778899 [1,1,0,0,0,0|2,0,0]=4 1881 B7R0.2 CCC(C)CC(=N)N MCULE-7964734356 [1,1,0,0,0,0|2,0,0]=4 1882 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [1,1,0,0,0,0|1,0,0]=3 1883 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [1,1,0,0,0,0|1,0,0]=3 1884 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [1,1,0,0,0,0|0,0,0]=2 1885 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [1,1,0,0,0,0|0,0,0]=2 1886 B7R0.2 CCC(C)CC(C)C MCULE-9492683095 [1,1,0,0,0,0|1,0,1]=4 1887 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [1,1,0,0,0,0|2,0,0]=4 1888 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [1,1,0,0,0,0|2,0,0]=4 1889 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [1,1,0,0,0,0|2,0,0]=4 1890 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [1,1,0,0,0,0|2,0,0]=4 1891 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [1,1,0,0,0,0|0,0,0]=2 1892 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [1,1,0,0,0,0|0,0,0]=2 1893 B7R0.2 CCC(N)CC(C)O MCULE-1447243469 [1,1,0,0,0,0|1,0,1]=4 1894 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [1,1,0,0,0,0|1,0,0]=3 1895 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [1,1,0,0,0,0|0,0,0]=2 1896 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [1,1,0,0,0,0|1,0,1]=4 1897 B7R0.2 CCC(O)CN(=O)=O MCULE-6965491054 [1,1,0,0,0,0|1,0,1]=4 1898 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [1,1,0,0,0,0|2,0,0]=4 1899 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [1,1,0,0,0,0|2,0,0]=4 1900 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [1,1,0,0,0,0|1,0,0]=3 1901 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [1,1,0,0,0,0|1,0,0]=3 1902 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [1,1,0,0,0,0|0,0,0]=2 1903 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [1,1,0,0,0,0|0,0,0]=2 1904 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [1,1,0,0,0,0|0,0,0]=2 1905 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [1,1,0,0,0,0|0,0,0]=2 1906 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [1,1,0,0,0,0|0,0,0]=2 1907 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [1,1,0,0,0,0|0,0,0]=2 1908 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [1,1,0,0,0,0|0,0,0]=2 1909 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [1,1,0,0,0,0|0,0,0]=2 1910 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [1,1,0,0,0,0|0,0,0]=2 1911 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [1,1,0,0,0,0|0,0,0]=2 1912 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [1,1,0,0,0,0|0,0,0]=2 1913 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [1,1,0,0,0,0|0,0,0]=2 1914 B7R0.2 CN(C)CC(N)CO MCULE-2789134862 [1,1,0,0,0,0|1,0,1]=4 1915 B7R0.2 CN(C)CC(N)CO MCULE-4090276677 [1,1,0,0,0,0|1,0,1]=4 1916 B7R0.2 CN(C)CC(O)CO MCULE-3436894516 [1,1,0,0,0,0|1,0,1]=4 1917 B7R0.2 CN(C)C[C@@H](O)CO MCULE-7101033572 [1,1,0,0,0,0|1,0,1]=4 1918 B7R0.2 CN(C)C[C@H](O)CO MCULE-4297947949 [1,1,0,0,0,0|1,0,1]=4 1919 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [1,1,0,0,0,0|1,0,1]=4 1920 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [1,1,0,0,0,0|2,0,0]=4 1921 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [1,1,0,0,0,0|2,0,0]=4 1922 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [1,1,0,0,0,0|1,0,0]=3 1923 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [1,1,0,0,0,0|1,0,0]=3 1924 B7R0.2 CNC(C)CC(C)C MCULE-4458579180 [1,1,0,0,0,0|2,0,0]=4 1925 B7R0.2 CNC(C)CC(C)C MCULE-9768203107 [1,1,0,0,0,0|2,0,0]=4 1926 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [1,1,0,0,0,0|1,0,1]=4 1927 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [1,1,0,0,0,0|1,0,0]=3 1928 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [1,1,0,0,0,0|1,0,0]=3 1929 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [1,1,0,0,0,0|1,0,0]=3 1930 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [1,1,0,0,0,0|1,0,0]=3 1931 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [1,1,0,0,0,0|1,0,0]=3 1932 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [1,1,0,0,0,0|1,0,0]=3 1933 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [1,1,0,0,0,0|1,0,0]=3 1934 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [1,1,0,0,0,0|1,0,0]=3 1935 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [1,1,0,0,0,0|1,0,0]=3 1936 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [1,1,0,0,0,0|1,0,0]=3 1937 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [1,1,0,0,0,0|2,0,0]=4 1938 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [1,1,0,0,0,0|2,0,0]=4 1939 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [1,1,0,0,0,0|1,0,0]=3 1940 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [1,1,0,0,0,0|1,0,0]=3 1941 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [1,1,0,0,0,0|1,0,0]=3 1942 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [1,1,0,0,0,0|1,0,0]=3 1943 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [1,1,0,0,0,0|1,0,0]=3 1944 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [1,1,0,0,0,0|1,0,0]=3 1945 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [1,1,0,0,0,0|1,0,0]=3 1946 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [1,1,0,0,0,0|1,0,0]=3 1947 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [1,1,0,0,0,0|1,0,0]=3 1948 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [1,1,0,0,0,0|1,0,0]=3 1949 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [1,1,0,0,0,0|1,0,0]=3 1950 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [1,1,0,0,0,0|1,0,0]=3 1951 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [1,1,0,0,0,0|1,0,1]=4 1952 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [1,1,0,0,0,0|1,0,1]=4 1953 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [1,1,0,0,0,0|1,0,0]=3 1954 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [1,1,0,0,0,0|1,0,0]=3 1955 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [1,1,0,0,0,0|1,0,1]=4 1956 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [1,1,0,0,0,0|1,0,1]=4 1957 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [1,1,0,0,0,0|2,0,0]=4 1958 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [1,1,0,0,0,0|1,0,1]=4 1959 B7R0.3 C#CC(O)CCCC MCULE-8547184224 [1,1,0,0,0,0|1,0,1]=4 1960 B7R0.3 C#CCCC(=O)OC MCULE-8778440511 [1,1,0,0,0,0|0,0,2]=4 1961 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [1,1,0,0,0,0|0,0,2]=4 1962 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [1,1,0,0,0,0|1,0,0]=3 1963 B7R0.3 C=C(CC)CCCC MCULE-5118701402 [1,1,0,0,0,0|2,0,0]=4 1964 B7R0.3 C=CC(=O)CCCCl MCULE-7188402172 [1,1,0,0,0,0|2,0,0]=4 1965 B7R0.3 C=CC(=O)NCCC MCULE-5704500398 [1,1,0,0,0,0|2,0,0]=4 1966 B7R0.3 C=CC(=O)OCCC MCULE-5292603407 [1,1,0,0,0,0|2,0,0]=4 1967 B7R0.3 C=CC(O)CCCC MCULE-1674668011 [1,1,0,0,0,0|1,0,1]=4 1968 B7R0.3 C=CCCC(=O)OC MCULE-8671478952 [1,1,0,0,0,0|0,0,2]=4 1969 B7R0.3 C=CCCC(Br)CBr MCULE-1642355305 [1,1,0,0,0,0|2,0,0]=4 1970 B7R0.3 C=CCCC(C)C#N MCULE-9800999429 [1,1,0,0,0,0|1,0,1]=4 1971 B7R0.3 C=CCCC(C)CN MCULE-2246705867 [1,1,0,0,0,0|1,0,0]=3 1972 B7R0.3 C=CCCC(C)CN MCULE-5238030814 [1,1,0,0,0,0|1,0,0]=3 1973 B7R0.3 C=CCCC(N)CC MCULE-4520234599 [1,1,0,0,0,0|2,0,0]=4 1974 B7R0.3 C=CCCC(N)CC MCULE-9493759139 [1,1,0,0,0,0|2,0,0]=4 1975 B7R0.3 C=CCCC(N)CN MCULE-3448579919 [1,1,0,0,0,0|2,0,0]=4 1976 B7R0.3 C=CCCC(N)CO MCULE-2658614123 [1,1,0,0,0,0|2,0,0]=4 1977 B7R0.3 C=CCCC(O)CC MCULE-1265881694 [1,1,0,0,0,0|2,0,0]=4 1978 B7R0.3 C=CCCC(O)CCl MCULE-2554338674 [1,1,0,0,0,0|2,0,0]=4 1979 B7R0.3 C=CCCC(O)CN MCULE-4695723420 [1,1,0,0,0,0|2,0,0]=4 1980 B7R0.3 C=CCC[C@@H](O)CO MCULE-6352864696 [1,1,0,0,0,0|2,0,0]=4 1981 B7R0.3 C=CCOC(C)CN MCULE-7634569955 [1,1,0,0,0,0|2,0,0]=4 1982 B7R0.3 C=CCO[C@@H](C)CN MCULE-4623222070 [1,1,0,0,0,0|2,0,0]=4 1983 B7R0.3 C=CCO[C@@H](C)CO MCULE-6699692288 [1,1,0,0,0,0|2,0,0]=4 1984 B7R0.3 CC#CCC(=O)OC MCULE-4727663716 [1,1,0,0,0,0|0,0,2]=4 1985 B7R0.3 CC(CCCO)NN MCULE-8201748999 [1,1,0,0,0,0|1,0,1]=4 1986 B7R0.3 CC(CN)CCCN MCULE-1249275042 [1,1,0,0,0,0|1,0,1]=4 1987 B7R0.3 CC(CN)CCCO MCULE-2908684674 [1,1,0,0,0,0|0,0,1]=3 1988 B7R0.3 CC(CN)CCCO MCULE-5608783947 [1,1,0,0,0,0|0,0,1]=3 1989 B7R0.3 CC(CN)CCCO MCULE-9269954426 [1,1,0,0,0,0|0,0,1]=3 1990 B7R0.3 CC(CO)CCCO MCULE-8589885622 [1,1,0,0,0,0|0,0,1]=3 1991 B7R0.3 CC(CO)NCCO MCULE-5180763491 [1,1,0,0,0,0|1,0,1]=4 1992 B7R0.3 CC/C=C/C(=O)OC MCULE-5661442711 [1,1,0,0,0,0|0,0,2]=4 1993 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [1,1,0,0,0,0|0,0,2]=4 1994 B7R0.3 CC=CCC(C)CC MCULE-4817855750 [1,1,0,0,0,0|1,0,1]=4 1995 B7R0.3 CCC(=O)CCCBr MCULE-3298679210 [1,1,0,0,0,0|2,0,0]=4 1996 B7R0.3 CCC(=O)CCCCl MCULE-3397599793 [1,1,0,0,0,0|2,0,0]=4 1997 B7R0.3 CCC(C)CCCO MCULE-2323419626 [1,1,0,0,0,0|0,0,1]=3 1998 B7R0.3 CCC(C)NCCO MCULE-1340916666 [1,1,0,0,0,0|1,0,1]=4 1999 B7R0.3 CCC(N)CCCO MCULE-3868205501 [1,1,0,0,0,0|1,0,1]=4 2000 B7R0.3 CCC(O)CCCO MCULE-1099760826 [1,1,0,0,0,0|1,0,1]=4 2001 B7R0.3 CCC=CC(=O)OC MCULE-2390679048 [1,1,0,0,0,0|0,0,2]=4 2002 B7R0.3 CCCC/C(=N/O)/N MCULE-2186271962 [1,1,0,0,0,0|1,0,0]=3 2003 B7R0.3 CCCCC(=N)OC MCULE-3917139857 [1,1,0,0,0,0|1,0,0]=3 2004 B7R0.3 CCCCC(=N)OC MCULE-8394549097 [1,1,0,0,0,0|1,0,0]=3 2005 B7R0.3 CCCCC(=NO)C MCULE-8239265636 [1,1,0,0,0,0|1,0,0]=3 2006 B7R0.3 CCCCC(=O)CBr MCULE-5866288227 [1,1,0,0,0,0|1,0,0]=3 2007 B7R0.3 CCCCC(=O)CC MCULE-7758340382 [1,1,0,0,0,0|1,0,0]=3 2008 B7R0.3 CCCCC(=O)CCl MCULE-9673190063 [1,1,0,0,0,0|1,0,0]=3 2009 B7R0.3 CCCCC(=O)NC MCULE-6810865419 [1,1,0,0,0,0|1,0,0]=3 2010 B7R0.3 CCCCC(=O)NN MCULE-9535710488 [1,1,0,0,0,0|1,0,0]=3 2011 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [1,1,0,0,0,0|0,0,0]=2 2012 B7R0.3 CCCCC(C)CC MCULE-9471981954 [1,1,0,0,0,0|1,0,1]=4 2013 B7R0.3 CCCCC(C)NC MCULE-7492621121 [1,1,0,0,0,0|1,0,1]=4 2014 B7R0.3 CCCCC(Cl)C=O MCULE-7474969991 [1,1,0,0,0,0|1,0,1]=4 2015 B7R0.3 CCCCC(N)CO MCULE-1874423109 [1,1,0,0,0,0|1,0,1]=4 2016 B7R0.3 CCCCC(N)CO MCULE-2041767659 [1,1,0,0,0,0|1,0,1]=4 2017 B7R0.3 CCCCC(N)CO MCULE-4533575851 [1,1,0,0,0,0|1,0,1]=4 2018 B7R0.3 CCCCC(N)CO MCULE-7141990411 [1,1,0,0,0,0|1,0,1]=4 2019 B7R0.3 CCCCC(O)CBr MCULE-8416535559 [1,1,0,0,0,0|1,0,1]=4 2020 B7R0.3 CCCCC(O)CC MCULE-3912386534 [1,1,0,0,0,0|1,0,1]=4 2021 B7R0.3 CCCCC(O)CN MCULE-1383380728 [1,1,0,0,0,0|1,0,1]=4 2022 B7R0.3 CCCCC(O)CO MCULE-6903923961 [1,1,0,0,0,0|0,0,2]=4 2023 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [1,1,0,0,0,0|1,0,1]=4 2024 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [1,1,0,0,0,0|1,0,1]=4 2025 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [1,1,0,0,0,0|1,0,1]=4 2026 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [1,1,0,0,0,0|1,0,1]=4 2027 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [1,1,0,0,0,0|1,0,1]=4 2028 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [1,1,0,0,0,0|1,0,1]=4 2029 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [1,1,0,0,0,0|1,0,1]=4 2030 B7R0.3 CCCNC(=O)CBr MCULE-3357000060 [1,1,0,0,0,0|2,0,0]=4 2031 B7R0.3 CCCNC(=O)CCl MCULE-3171078913 [1,1,0,0,0,0|2,0,0]=4 2032 B7R0.3 CCCNC(=O)CN MCULE-2964958967 [1,1,0,0,0,0|2,0,0]=4 2033 B7R0.3 CCCNC(=O)CN MCULE-4880764199 [1,1,0,0,0,0|2,0,0]=4 2034 B7R0.3 CCCNC(=O)NN MCULE-9369722445 [1,1,0,0,0,0|2,0,0]=4 2035 B7R0.3 CCCOC(=O)CBr MCULE-9392658897 [1,1,0,0,0,0|2,0,0]=4 2036 B7R0.3 CCCOC(=O)CC MCULE-2749425161 [1,1,0,0,0,0|2,0,0]=4 2037 B7R0.3 CCCOC(=O)CCl MCULE-4900509903 [1,1,0,0,0,0|2,0,0]=4 2038 B7R0.3 CCCOC(=O)CN MCULE-5016724090 [1,1,0,0,0,0|2,0,0]=4 2039 B7R0.3 CCCOC(=O)CN MCULE-9899563764 [1,1,0,0,0,0|2,0,0]=4 2040 B7R0.3 CCCOC(=O)CS MCULE-7918412380 [1,1,0,0,0,0|1,1,0]=4 2041 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [1,1,0,0,0,0|1,0,0]=3 2042 B7R0.3 CCN(C)CCCO MCULE-9090885474 [1,1,0,0,0,0|1,0,1]=4 2043 B7R0.3 CCNCC(=O)NC MCULE-6292959559 [1,1,0,0,0,0|2,0,0]=4 2044 B7R0.3 CCNCC(=O)OC MCULE-7988488004 [1,1,0,0,0,0|1,0,0]=3 2045 B7R0.3 CCNCC(=O)OC MCULE-9483901468 [1,1,0,0,0,0|1,0,0]=3 2046 B7R0.3 CCOCC(=O)CCl MCULE-3495077500 [1,1,0,0,0,0|2,0,0]=4 2047 B7R0.3 CCOCC(=O)NN MCULE-1157330147 [1,1,0,0,0,0|2,0,0]=4 2048 B7R0.3 CCOCC(=O)NN MCULE-3371253482 [1,1,0,0,0,0|2,0,0]=4 2049 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [1,1,0,0,0,0|1,0,0]=3 2050 B7R0.3 CCSCC(=O)NN MCULE-2532030709 [1,1,0,0,0,0|2,0,0]=4 2051 B7R0.3 CCSCC(=O)OC MCULE-2538182357 [1,1,0,0,0,0|1,0,0]=3 2052 B7R0.3 CC[C@H](C)CCCO MCULE-1760153718 [1,1,0,0,0,0|0,0,1]=3 2053 B7R0.3 CC[C@H](C)CCCO MCULE-3488695651 [1,1,0,0,0,0|0,0,1]=3 2054 B7R0.3 CNC(=O)CCCCl MCULE-9460684794 [1,1,0,0,0,0|2,0,0]=4 2055 B7R0.3 CNC(=O)CCCN MCULE-4766031038 [1,1,0,0,0,0|2,0,0]=4 2056 B7R0.3 CNC(=O)CCCN MCULE-8992476653 [1,1,0,0,0,0|2,0,0]=4 2057 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [1,1,0,0,0,0|2,0,0]=4 2058 B7R0.3 CNC(=O)CCOC MCULE-1263122933 [1,1,0,0,0,0|2,0,0]=4 2059 B7R0.3 CNC(C)CCSC MCULE-2095620023 [1,1,0,0,0,0|2,0,0]=4 2060 B7R0.3 CNCC/C(=N/O)/N MCULE-5663392892 [1,1,0,0,0,0|2,0,0]=4 2061 B7R0.3 CNCC/C(=N/O)/N MCULE-9276854772 [1,1,0,0,0,0|2,0,0]=4 2062 B7R0.3 CNCCC(=O)NC MCULE-1793457920 [1,1,0,0,0,0|2,0,0]=4 2063 B7R0.3 CNCCC(=O)NC MCULE-7089073664 [1,1,0,0,0,0|2,0,0]=4 2064 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [1,1,0,0,0,0|1,0,0]=3 2065 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [1,1,0,0,0,0|1,0,0]=3 2066 B7R0.3 CNOCC(=O)OC MCULE-1491246414 [1,1,0,0,0,0|2,0,0]=4 2067 B7R0.3 CNOCC(=O)OC MCULE-2119135006 [1,1,0,0,0,0|2,0,0]=4 2068 B7R0.3 COC(=N)CCCCl MCULE-3704020642 [1,1,0,0,0,0|2,0,0]=4 2069 B7R0.3 COC(=N)CCCCl MCULE-6282500757 [1,1,0,0,0,0|2,0,0]=4 2070 B7R0.3 COC(=O)CCC#N MCULE-3476013569 [1,1,0,0,0,0|1,0,1]=4 2071 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [1,1,0,0,0,0|1,0,1]=4 2072 B7R0.3 COC(=O)CCCBr MCULE-3856139347 [1,1,0,0,0,0|1,0,0]=3 2073 B7R0.3 COC(=O)CCCCl MCULE-9725150748 [1,1,0,0,0,0|1,0,0]=3 2074 B7R0.3 COC(=O)CCCI MCULE-6607823615 [1,1,0,0,0,0|1,0,0]=3 2075 B7R0.3 COC(=O)CCCN MCULE-2399653885 [1,1,0,0,0,0|1,0,0]=3 2076 B7R0.3 COC(=O)CCCN MCULE-7745643244 [1,1,0,0,0,0|1,0,0]=3 2077 B7R0.3 COC(=O)CCCO MCULE-6149839873 [1,1,0,0,0,0|1,0,0]=3 2078 B7R0.3 COC(=O)CCCS MCULE-6897052882 [1,1,0,0,0,0|1,0,0]=3 2079 B7R0.3 COC(=O)CCSC MCULE-8525618169 [1,1,0,0,0,0|1,0,0]=3 2080 B7R0.3 COC(=O)NCCN MCULE-4816806580 [1,1,0,0,0,0|2,0,0]=4 2081 B7R0.3 COC(=O)NCCN MCULE-9765640123 [1,1,0,0,0,0|2,0,0]=4 2082 B7R0.3 COC(=O)NCCO MCULE-7141835204 [1,1,0,0,0,0|2,0,0]=4 2083 B7R0.3 COCC/C(=N\O)/N MCULE-3175892655 [1,1,0,0,0,0|2,0,0]=4 2084 B7R0.3 COCC/C(=N\O)/N MCULE-8002911611 [1,1,0,0,0,0|2,0,0]=4 2085 B7R0.3 COCCC(=O)CCl MCULE-2918704994 [1,1,0,0,0,0|2,0,0]=4 2086 B7R0.3 COCCC(=O)NN MCULE-6895114863 [1,1,0,0,0,0|2,0,0]=4 2087 B7R0.3 COCCC(=O)OC MCULE-5918489580 [1,1,0,0,0,0|1,0,0]=3 2088 B7R0.3 COCCC(C)CN MCULE-7288397543 [1,1,0,0,0,0|2,0,0]=4 2089 B7R0.3 C[C@@H](CN)CCCO MCULE-2859776250 [1,1,0,0,0,0|0,0,1]=3 2090 B7R0.3 C[C@@H](CN)CCCO MCULE-3245433953 [1,1,0,0,0,0|0,0,1]=3 2091 B7R0.3 C[C@@H](CN)CCCO MCULE-7698870351 [1,1,0,0,0,0|0,0,1]=3 2092 B7R0.3 C[C@@H](CN)CCCO MCULE-9900676606 [1,1,0,0,0,0|0,0,1]=3 2093 B7R0.3 N=C(CCCBr)NO MCULE-4204101118 [1,1,0,0,0,0|2,0,0]=4 2094 B7R0.3 NNC(=O)CCCCl MCULE-9370062145 [1,1,0,0,0,0|2,0,0]=4 2095 B7R0.3 NNC(=O)CCCO MCULE-4131007358 [1,1,0,0,0,0|2,0,0]=4 2096 B7R0.3 O=C(CCl)CCCCl MCULE-2362491395 [1,1,0,0,0,0|2,0,0]=4 2097 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [1,1,0,0,0,0|2,0,0]=4 2098 B7R0.3 OCCCC(O)CO MCULE-3529953491 [1,1,0,0,0,0|1,0,1]=4 2099 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [1,1,0,0,0,0|1,0,1]=4 2100 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [1,1,0,0,0,0|1,0,1]=4 2101 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [1,1,0,0,0,0|1,0,1]=4 2102 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,1,0,0,0,0|0,0,1]=3 2103 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [1,1,0,0,0,0|0,0,2]=4 2104 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [1,1,0,0,0,0|0,0,2]=4 2105 B7R0.4 C#CCNCC(C)C MCULE-1138634312 [1,1,0,0,0,0|1,0,1]=4 2106 B7R0.4 C#CCNCC(C)C MCULE-4821616685 [1,1,0,0,0,0|1,0,1]=4 2107 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [1,1,0,0,0,0|0,0,2]=4 2108 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [1,1,0,0,0,0|0,0,2]=4 2109 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [1,1,0,0,0,0|0,0,1]=3 2110 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,1,0,0,0,0|0,0,1]=3 2111 B7R0.4 C=C(Br)CCCCC MCULE-3049831354 [1,1,0,0,0,0|2,0,0]=4 2112 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [1,1,0,0,0,0|2,0,0]=4 2113 B7R0.4 C=C(Cl)CCCCC MCULE-5074452982 [1,1,0,0,0,0|2,0,0]=4 2114 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [1,1,0,0,0,0|0,0,2]=4 2115 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [1,1,0,0,0,0|1,0,1]=4 2116 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,1,0,0,0,0|0,0,1]=3 2117 B7R0.4 C=CCCCC(C)C MCULE-7578384030 [1,1,0,0,0,0|1,0,0]=3 2118 B7R0.4 C=CCCCC(C)N MCULE-4101795283 [1,1,0,0,0,0|2,0,0]=4 2119 B7R0.4 C=CCCCC(C)O MCULE-6692920526 [1,1,0,0,0,0|2,0,0]=4 2120 B7R0.4 C=CCCNC(C)C MCULE-4275849388 [1,1,0,0,0,0|1,0,0]=3 2121 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,1,0,0,0,0|0,0,2]=4 2122 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,1,0,0,0,0|0,0,2]=4 2123 B7R0.4 C=CCNCC(C)C MCULE-1424825920 [1,1,0,0,0,0|1,0,0]=3 2124 B7R0.4 C=CCNCC(C)C MCULE-4634875589 [1,1,0,0,0,0|1,0,0]=3 2125 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,1,0,0,0,0|0,0,2]=4 2126 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,1,0,0,0,0|0,0,2]=4 2127 B7R0.4 C=COCCN(C)C MCULE-5557000118 [1,1,0,0,0,0|2,0,0]=4 2128 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [1,1,0,0,0,0|0,0,1]=3 2129 B7R0.4 CC(=CCCC=O)C MCULE-3815388926 [1,1,0,0,0,0|0,0,1]=3 2130 B7R0.4 CC(=CCCCO)C MCULE-5263952692 [1,1,0,0,0,0|0,0,2]=4 2131 B7R0.4 CC(=CCOC=O)C MCULE-1475053986 [1,1,0,0,0,0|0,0,2]=4 2132 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [1,1,0,0,0,0|1,0,1]=4 2133 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [1,1,0,0,0,0|1,0,0]=3 2134 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [1,1,0,0,0,0|1,0,0]=3 2135 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,1,0,0,0,0|1,0,0]=3 2136 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [1,1,0,0,0,0|2,0,0]=4 2137 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [1,1,0,0,0,0|1,0,1]=4 2138 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [1,1,0,0,0,0|2,0,0]=4 2139 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [1,1,0,0,0,0|2,0,0]=4 2140 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [1,1,0,0,0,0|2,0,0]=4 2141 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [1,1,0,0,0,0|2,0,0]=4 2142 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [1,1,0,0,0,0|2,0,0]=4 2143 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [1,1,0,0,0,0|2,0,0]=4 2144 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [1,1,0,0,0,0|2,0,0]=4 2145 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [1,1,0,0,0,0|2,0,0]=4 2146 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [1,1,0,0,0,0|2,0,0]=4 2147 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [1,1,0,0,0,0|2,0,0]=4 2148 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [1,1,0,0,0,0|1,0,1]=4 2149 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [1,1,0,0,0,0|2,0,0]=4 2150 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [1,1,0,0,0,0|2,0,0]=4 2151 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [1,1,0,0,0,0|2,0,0]=4 2152 B7R0.4 CC(Br)CCCCO MCULE-2106751856 [1,1,0,0,0,0|1,0,1]=4 2153 B7R0.4 CC(C)CCCC#N MCULE-8851952716 [1,1,0,0,0,0|1,0,1]=4 2154 B7R0.4 CC(C)CCCC=O MCULE-2846844109 [1,1,0,0,0,0|0,0,0]=2 2155 B7R0.4 CC(C)CCCCBr MCULE-9236389539 [1,1,0,0,0,0|1,0,1]=4 2156 B7R0.4 CC(C)CCCCCl MCULE-5223516486 [1,1,0,0,0,0|1,0,1]=4 2157 B7R0.4 CC(C)CCCCN MCULE-3591523204 [1,1,0,0,0,0|1,0,1]=4 2158 B7R0.4 CC(C)CCCCO MCULE-9053698607 [1,1,0,0,0,0|0,0,1]=3 2159 B7R0.4 CC(C)CCCON MCULE-5299845209 [1,1,0,0,0,0|0,0,1]=3 2160 B7R0.4 CC(C)CCCON MCULE-8643496539 [1,1,0,0,0,0|0,0,1]=3 2161 B7R0.4 CC(C)CCN=C=O MCULE-2154901803 [1,1,0,0,0,0|0,0,1]=3 2162 B7R0.4 CC(C)CCN=C=S MCULE-4875828479 [1,1,0,0,0,0|0,1,1]=4 2163 B7R0.4 CC(C)CCN=N#N MCULE-1481672811 [1,1,0,0,0,0|2,0,0]=4 2164 B7R0.4 CC(C)CCOC=O MCULE-3671444552 [1,1,0,0,0,0|0,0,0]=2 2165 B7R0.4 CC(C)CCON=O MCULE-5177168468 [1,1,0,0,0,0|1,0,0]=3 2166 B7R0.4 CC(C)CNCC#N MCULE-6714270376 [1,1,0,0,0,0|1,0,1]=4 2167 B7R0.4 CC(C)CNCCN MCULE-3059280265 [1,1,0,0,0,0|1,0,1]=4 2168 B7R0.4 CC(C)CNCCO MCULE-3948234461 [1,1,0,0,0,0|0,0,1]=3 2169 B7R0.4 CC(C)CNCCO MCULE-6673201049 [1,1,0,0,0,0|0,0,1]=3 2170 B7R0.4 CC(C)COCCBr MCULE-7232103778 [1,1,0,0,0,0|1,0,1]=4 2171 B7R0.4 CC(C)COCCN MCULE-9238454281 [1,1,0,0,0,0|1,0,1]=4 2172 B7R0.4 CC(C)COCCN MCULE-9987398976 [1,1,0,0,0,0|1,0,1]=4 2173 B7R0.4 CC(C)COCCO MCULE-2997702641 [1,1,0,0,0,0|0,0,1]=3 2174 B7R0.4 CC(C)CSCCCl MCULE-1798266957 [1,1,0,0,0,0|1,0,1]=4 2175 B7R0.4 CC(C)CSCCN MCULE-6100886830 [1,1,0,0,0,0|1,0,1]=4 2176 B7R0.4 CC(C)CSCCN MCULE-8368453687 [1,1,0,0,0,0|1,0,1]=4 2177 B7R0.4 CC(C)CSCCO MCULE-5481216581 [1,1,0,0,0,0|0,0,1]=3 2178 B7R0.4 CC(C)NCCC#N MCULE-4213887159 [1,1,0,0,0,0|1,0,1]=4 2179 B7R0.4 CC(C)NCCC#N MCULE-9871248410 [1,1,0,0,0,0|1,0,1]=4 2180 B7R0.4 CC(C)NCCCN MCULE-2900400569 [1,1,0,0,0,0|1,0,1]=4 2181 B7R0.4 CC(C)NCCCO MCULE-4556994899 [1,1,0,0,0,0|0,0,1]=3 2182 B7R0.4 CC(C)NCCCO MCULE-9550690390 [1,1,0,0,0,0|0,0,1]=3 2183 B7R0.4 CC(C)OCCC#N MCULE-4613636194 [1,1,0,0,0,0|1,0,1]=4 2184 B7R0.4 CC(C)OCCCBr MCULE-6061340501 [1,1,0,0,0,0|1,0,1]=4 2185 B7R0.4 CC(C)OCCCCl MCULE-5339928259 [1,1,0,0,0,0|1,0,1]=4 2186 B7R0.4 CC(C)OCCCN MCULE-6787172017 [1,1,0,0,0,0|1,0,1]=4 2187 B7R0.4 CC(C)OCCCN MCULE-8495001717 [1,1,0,0,0,0|1,0,1]=4 2188 B7R0.4 CC(C)OCCCO MCULE-9280654202 [1,1,0,0,0,0|0,0,1]=3 2189 B7R0.4 CC(C)OCCON MCULE-8218216454 [1,1,0,0,0,0|1,0,1]=4 2190 B7R0.4 CC(C)SCCCN MCULE-6322440113 [1,1,0,0,0,0|1,0,1]=4 2191 B7R0.4 CC(C)SCCCO MCULE-4296249117 [1,1,0,0,0,0|0,0,1]=3 2192 B7R0.4 CC(N)CCCCO MCULE-7039935081 [1,1,0,0,0,0|1,0,1]=4 2193 B7R0.4 CC(N)CCCCO MCULE-8167834378 [1,1,0,0,0,0|1,0,1]=4 2194 B7R0.4 CC(O)CCCCO MCULE-3790969400 [1,1,0,0,0,0|1,0,1]=4 2195 B7R0.4 CC(O)CNCCO MCULE-4873845500 [1,1,0,0,0,0|1,0,1]=4 2196 B7R0.4 CC(O)CSCCO MCULE-8885458360 [1,1,0,0,0,0|1,0,1]=4 2197 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,1,0,0,0,0|0,0,1]=3 2198 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [1,1,0,0,0,0|1,0,1]=4 2199 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,1,0,0,0,0|0,0,1]=3 2200 B7R0.4 CCC=CCC(C)C MCULE-6798729321 [1,1,0,0,0,0|1,0,1]=4 2201 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [1,1,0,0,0,0|0,0,1]=3 2202 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [1,1,0,0,0,0|1,0,1]=4 2203 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [1,1,0,0,0,0|1,0,1]=4 2204 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [1,1,0,0,0,0|0,0,1]=3 2205 B7R0.4 CCCCCB(O)O MCULE-3441747739 [1,1,0,0,0,0|1,0,1]=4 2206 B7R0.4 CCCCCC(=N)N MCULE-4874167268 [1,1,0,0,0,0|2,0,0]=4 2207 B7R0.4 CCCCCC(=N)N MCULE-6942690708 [1,1,0,0,0,0|2,0,0]=4 2208 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [1,1,0,0,0,0|1,0,0]=3 2209 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [1,1,0,0,0,0|1,0,0]=3 2210 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [1,1,0,0,0,0|1,0,0]=3 2211 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,1,0,0,0,0|0,0,0]=2 2212 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [1,1,0,0,0,0|0,0,1]=3 2213 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [1,1,0,0,0,0|0,0,1]=3 2214 B7R0.4 CCCCCC(=S)N MCULE-7633089850 [1,1,0,0,0,0|1,1,0]=4 2215 B7R0.4 CCCCCC(C)C MCULE-9815158757 [1,1,0,0,0,0|1,0,1]=4 2216 B7R0.4 CCCCCC(C)O MCULE-2463855771 [1,1,0,0,0,0|1,0,1]=4 2217 B7R0.4 CCCCCN(=O)=O MCULE-6853489453 [1,1,0,0,0,0|1,0,1]=4 2218 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [1,1,0,0,0,0|1,0,1]=4 2219 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [1,1,0,0,0,0|1,0,1]=4 2220 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [1,1,0,0,0,0|1,0,1]=4 2221 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [1,1,0,0,0,0|1,0,1]=4 2222 B7R0.4 CCCCNC(=N)N MCULE-4548909930 [1,1,0,0,0,0|2,0,0]=4 2223 B7R0.4 CCCCNC(=N)N MCULE-4773969181 [1,1,0,0,0,0|2,0,0]=4 2224 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [1,1,0,0,0,0|1,0,0]=3 2225 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [1,1,0,0,0,0|1,0,0]=3 2226 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [1,1,0,0,0,0|1,0,0]=3 2227 B7R0.4 CCCCNC(=S)N MCULE-7448930772 [1,1,0,0,0,0|1,1,0]=4 2228 B7R0.4 CCCCNC(C)C MCULE-2695970517 [1,1,0,0,0,0|1,0,1]=4 2229 B7R0.4 CCCCNC(C)C MCULE-9973816117 [1,1,0,0,0,0|1,0,1]=4 2230 B7R0.4 CCCCNN(=O)=O MCULE-2055512271 [1,1,0,0,0,0|1,0,1]=4 2231 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [1,1,0,0,0,0|1,0,0]=3 2232 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [1,1,0,0,0,0|1,0,0]=3 2233 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [1,1,0,0,0,0|1,0,0]=3 2234 B7R0.4 CCCCOC(=S)[S-] MCULE-2197583773 [1,1,0,0,0,0|0,2,0]=4 2235 B7R0.4 CCCCOC(=S)[S-] MCULE-3219674247 [1,1,0,0,0,0|0,2,0]=4 2236 B7R0.4 CCCCOC(C)C MCULE-1504269570 [1,1,0,0,0,0|1,0,1]=4 2237 B7R0.4 CCCCON(=O)=O MCULE-9175662186 [1,1,0,0,0,0|1,0,1]=4 2238 B7R0.4 CCCCSC(=N)N MCULE-1202813594 [1,1,0,0,0,0|2,0,0]=4 2239 B7R0.4 CCCCSC(=N)N MCULE-6798856505 [1,1,0,0,0,0|2,0,0]=4 2240 B7R0.4 CCCCSC(=N)N MCULE-8701506154 [1,1,0,0,0,0|2,0,0]=4 2241 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [1,1,0,0,0,0|1,0,0]=3 2242 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [1,1,0,0,0,0|1,0,0]=3 2243 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [1,1,0,0,0,0|1,0,0]=3 2244 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [1,1,0,0,0,0|1,0,0]=3 2245 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,1,0,0,0,0|0,0,0]=2 2246 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,1,0,0,0,0|0,0,0]=2 2247 B7R0.4 CCCNCC(C)C MCULE-2869656642 [1,1,0,0,0,0|1,0,1]=4 2248 B7R0.4 CCCNCC(C)O MCULE-8110237473 [1,1,0,0,0,0|1,0,1]=4 2249 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,1,0,0,0,0|0,0,0]=2 2250 B7R0.4 CCCOCC(=S)N MCULE-4681127635 [1,1,0,0,0,0|1,1,0]=4 2251 B7R0.4 CCCOCC(C)O MCULE-9214840563 [1,1,0,0,0,0|1,0,1]=4 2252 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [1,1,0,0,0,0|1,0,0]=3 2253 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,1,0,0,0,0|0,0,0]=2 2254 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [1,1,0,0,0,0|1,0,0]=3 2255 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [1,1,0,0,0,0|1,0,0]=3 2256 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,1,0,0,0,0|0,0,0]=2 2257 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,1,0,0,0,0|0,0,0]=2 2258 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [1,1,0,0,0,0|0,0,2]=4 2259 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [1,1,0,0,0,0|0,0,2]=4 2260 B7R0.4 CCOCCC(=N)N MCULE-4926091113 [1,1,0,0,0,0|2,0,0]=4 2261 B7R0.4 CCOCCC(=N)N MCULE-8590303415 [1,1,0,0,0,0|2,0,0]=4 2262 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [1,1,0,0,0,0|1,0,0]=3 2263 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [1,1,0,0,0,0|1,0,0]=3 2264 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,1,0,0,0,0|0,0,0]=2 2265 B7R0.4 CCOCNC(=O)N MCULE-7680870721 [1,1,0,0,0,0|2,0,0]=4 2266 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,1,0,0,0,0|0,0,0]=2 2267 B7R0.4 CN(C)CCCC=O MCULE-1296611805 [1,1,0,0,0,0|1,0,0]=3 2268 B7R0.4 CN(C)CCCCO MCULE-6973654872 [1,1,0,0,0,0|1,0,1]=4 2269 B7R0.4 CN(C)CCCON MCULE-1245472313 [1,1,0,0,0,0|1,0,1]=4 2270 B7R0.4 CN(C)CCCON MCULE-5946614062 [1,1,0,0,0,0|1,0,1]=4 2271 B7R0.4 CN(C)CCN=C=O MCULE-3911246186 [1,1,0,0,0,0|1,0,1]=4 2272 B7R0.4 CN(C)CCNC=O MCULE-6221074161 [1,1,0,0,0,0|1,0,0]=3 2273 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [1,1,0,0,0,0|1,0,0]=3 2274 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [1,1,0,0,0,0|1,0,0]=3 2275 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,1,0,0,0,0|0,0,0]=2 2276 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,1,0,0,0,0|0,0,0]=2 2277 B7R0.4 CNCCCC(C)C MCULE-1784678333 [1,1,0,0,0,0|1,0,1]=4 2278 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [1,1,0,0,0,0|2,0,0]=4 2279 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [1,1,0,0,0,0|2,0,0]=4 2280 B7R0.4 CNCCNC(C)C MCULE-9007534493 [1,1,0,0,0,0|2,0,0]=4 2281 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [1,1,0,0,0,0|2,0,0]=4 2282 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [1,1,0,0,0,0|2,0,0]=4 2283 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [1,1,0,0,0,0|0,0,2]=4 2284 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [1,1,0,0,0,0|0,0,2]=4 2285 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [1,1,0,0,0,0|0,0,2]=4 2286 B7R0.4 COCCCC(=O)C MCULE-3606369396 [1,1,0,0,0,0|1,0,0]=3 2287 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,1,0,0,0,0|0,0,0]=2 2288 B7R0.4 COCCCC(=S)N MCULE-5066867181 [1,1,0,0,0,0|1,1,0]=4 2289 B7R0.4 COCCCC(C)N MCULE-4298611846 [1,1,0,0,0,0|1,0,1]=4 2290 B7R0.4 COCCCC(C)N MCULE-8139434838 [1,1,0,0,0,0|1,0,1]=4 2291 B7R0.4 COCCCC(C)O MCULE-4190294636 [1,1,0,0,0,0|1,0,1]=4 2292 B7R0.4 COCCNC(=O)C MCULE-2794263612 [1,1,0,0,0,0|2,0,0]=4 2293 B7R0.4 COCCNC(=O)N MCULE-1380726553 [1,1,0,0,0,0|2,0,0]=4 2294 B7R0.4 COCCNC(C)C MCULE-2061720092 [1,1,0,0,0,0|1,0,1]=4 2295 B7R0.4 COCCOC(=O)C MCULE-3221264060 [1,1,0,0,0,0|2,0,0]=4 2296 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [1,1,0,0,0,0|2,0,0]=4 2297 B7R0.4 COCCOC(=O)N MCULE-3401505850 [1,1,0,0,0,0|2,0,0]=4 2298 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [1,1,0,0,0,0|0,0,2]=4 2299 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,1,0,0,0,0|0,0,0]=2 2300 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [1,1,0,0,0,0|2,0,0]=4 2301 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [1,1,0,0,0,0|2,0,0]=4 2302 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [1,1,0,0,0,0|2,0,0]=4 2303 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [1,1,0,0,0,0|1,0,0]=3 2304 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,1,0,0,0,0|0,0,1]=3 2305 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [1,1,0,0,0,0|1,0,1]=4 2306 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [1,1,0,0,0,0|2,0,0]=4 2307 B7R0.4 N=C(N)CCCCCl MCULE-4352194585 [1,1,0,0,0,0|2,0,0]=4 2308 B7R0.4 N=C(N)CCCCCl MCULE-5262170460 [1,1,0,0,0,0|2,0,0]=4 2309 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [1,1,0,0,0,0|1,0,0]=3 2310 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [1,1,0,0,0,0|1,0,0]=3 2311 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,1,0,0,0,0|1,0,0]=3 2312 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [1,1,0,0,0,0|2,0,0]=4 2313 B7R0.4 NC(=O)COCCO MCULE-3158372920 [1,1,0,0,0,0|2,0,0]=4 2314 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [1,1,0,0,0,0|2,0,0]=4 2315 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [1,1,0,0,0,0|2,0,0]=4 2316 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [1,1,0,0,0,0|1,0,0]=3 2317 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [1,1,0,0,0,0|1,0,0]=3 2318 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,1,0,0,0,0|0,0,0]=2 2319 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,1,0,0,0,0|0,0,0]=2 2320 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,1,0,0,0,0|0,0,0]=2 2321 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,1,0,0,0,0|0,0,0]=2 2322 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [1,1,0,0,0,0|2,0,0]=4 2323 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [1,1,0,0,0,0|2,0,0]=4 2324 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [1,1,0,0,0,0|2,0,0]=4 2325 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,1,0,0,0,0|1,0,0]=3 2326 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,1,0,0,0,0|1,0,0]=3 2327 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,1,0,0,0,0|1,0,0]=3 2328 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,1,0,0,0,0|1,0,0]=3 2329 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,1,0,0,0,0|1,0,0]=3 2330 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,1,0,0,0,0|1,0,0]=3 2331 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,1,0,0,0,0|1,0,0]=3 2332 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,1,0,0,0,0|1,0,0]=3 2333 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [1,1,0,0,0,0|1,0,0]=3 2334 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [1,1,0,0,0,0|1,0,0]=3 2335 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [1,1,0,0,0,0|1,0,0]=3 2336 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [1,1,0,0,0,0|2,0,0]=4 2337 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [1,1,0,0,0,0|2,0,0]=4 2338 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [1,1,0,0,0,0|2,0,0]=4 2339 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [1,1,0,0,0,0|0,0,2]=4 2340 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,1,0,0,0,0|0,0,2]=4 2341 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,1,0,0,0,0|0,0,0]=2 2342 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,1,0,0,0,0|0,0,0]=2 2343 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,1,0,0,0,0|0,0,0]=2 2344 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,1,0,0,0,0|0,0,0]=2 2345 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,1,0,0,0,0|1,0,0]=3 2346 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,1,0,0,0,0|1,0,0]=3 2347 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,1,0,0,0,0|1,0,0]=3 2348 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,1,0,0,0,0|1,0,0]=3 2349 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,1,0,0,0,0|1,0,0]=3 2350 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,1,0,0,0,0|1,0,0]=3 2351 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,1,0,0,0,0|1,0,0]=3 2352 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,1,0,0,0,0|0,0,1]=3 2353 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [1,1,0,0,0,0|1,0,1]=4 2354 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,1,0,0,0,0|0,0,1]=3 2355 B7R0.4 O=N(=O)CCCCBr MCULE-8310183286 [1,1,0,0,0,0|1,0,1]=4 2356 B7R0.4 O=N(=O)CCCCCl MCULE-9069384470 [1,1,0,0,0,0|1,0,1]=4 2357 B7R0.4 O=N(=O)CCCCO MCULE-4639070341 [1,1,0,0,0,0|1,0,1]=4 2358 B7R0.4 OB(O)CCCCBr MCULE-3231135677 [1,1,0,0,0,0|1,0,1]=4 2359 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [1,1,0,0,0,0|0,0,2]=4 2360 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [1,1,0,0,0,0|0,0,2]=4 2361 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [1,1,0,0,0,0|0,0,2]=4 2362 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [1,1,0,0,0,0|0,0,2]=4 2363 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [1,1,0,0,0,0|0,0,2]=4 2364 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [1,1,0,0,0,0|0,0,2]=4 2365 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [1,1,0,0,0,0|0,0,2]=4 2366 B7R0.5 C#CCC(O)C(C)C MCULE-5540203369 [1,1,0,0,0,0|1,0,1]=4 2367 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [1,1,0,0,0,0|0,0,2]=4 2368 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [1,1,0,0,0,0|0,0,2]=4 2369 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [1,1,0,0,0,0|0,0,2]=4 2370 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [1,1,0,0,0,0|0,0,2]=4 2371 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [1,1,0,0,0,0|0,0,2]=4 2372 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [1,1,0,0,0,0|0,0,2]=4 2373 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [1,1,0,0,0,0|0,0,2]=4 2374 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [1,1,0,0,0,0|0,0,2]=4 2375 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [1,1,0,0,0,0|0,0,1]=3 2376 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [1,1,0,0,0,0|1,0,1]=4 2377 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [1,1,0,0,0,0|1,0,1]=4 2378 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,1,0,0,0,0|0,0,2]=4 2379 B7R0.5 C=CCC(C)C(C)C MCULE-8461199830 [1,1,0,0,0,0|1,0,0]=3 2380 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [1,1,0,0,0,0|0,0,2]=4 2381 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [1,1,0,0,0,0|0,0,2]=4 2382 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [1,1,0,0,0,0|0,0,2]=4 2383 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [1,1,0,0,0,0|0,0,2]=4 2384 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [1,1,0,0,0,0|0,0,2]=4 2385 B7R0.5 C=CCC(O)C(C)C MCULE-2334905388 [1,1,0,0,0,0|1,0,0]=3 2386 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [1,1,0,0,0,0|0,0,2]=4 2387 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [1,1,0,0,0,0|0,0,2]=4 2388 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [1,1,0,0,0,0|0,0,2]=4 2389 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [1,1,0,0,0,0|0,0,2]=4 2390 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [1,1,0,0,0,0|0,0,2]=4 2391 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [1,1,0,0,0,0|0,0,2]=4 2392 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [1,1,0,0,0,0|0,0,2]=4 2393 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [1,1,0,0,0,0|0,0,2]=4 2394 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [1,1,0,0,0,0|0,0,2]=4 2395 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [1,1,0,0,0,0|0,0,2]=4 2396 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [1,1,0,0,0,0|2,0,0]=4 2397 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [1,1,0,0,0,0|2,0,0]=4 2398 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [1,1,0,0,0,0|2,0,0]=4 2399 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [1,1,0,0,0,0|2,0,0]=4 2400 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [1,1,0,0,0,0|2,0,0]=4 2401 B7R0.5 CC(C)C(C)CCO MCULE-9837449555 [1,1,0,0,0,0|0,0,1]=3 2402 B7R0.5 CC(C)C(C)N=C=O MCULE-2911676446 [1,1,0,0,0,0|1,0,1]=4 2403 B7R0.5 CC(C)C(N)CCO MCULE-4571836019 [1,1,0,0,0,0|0,0,1]=3 2404 B7R0.5 CC(C)C(O)CC#N MCULE-5148911726 [1,1,0,0,0,0|1,0,1]=4 2405 B7R0.5 CC(C)C(O)CCCl MCULE-3510291624 [1,1,0,0,0,0|1,0,1]=4 2406 B7R0.5 CC(C)C(O)CCN MCULE-2039463209 [1,1,0,0,0,0|1,0,1]=4 2407 B7R0.5 CC(C)C(O)CCN MCULE-2941304015 [1,1,0,0,0,0|1,0,1]=4 2408 B7R0.5 CC(C)C(O)CCO MCULE-8819967893 [1,1,0,0,0,0|0,0,1]=3 2409 B7R0.5 CC(C)N(C)CCO MCULE-5948661117 [1,1,0,0,0,0|1,0,1]=4 2410 B7R0.5 CC(C)[C@H](N)CCO MCULE-5628923252 [1,1,0,0,0,0|0,0,1]=3 2411 B7R0.5 CC(C)[C@H](O)CCN MCULE-1853419872 [1,1,0,0,0,0|1,0,1]=4 2412 B7R0.5 CC(C)[C@H](O)CCN MCULE-1886424228 [1,1,0,0,0,0|1,0,1]=4 2413 B7R0.5 CC(C)[C@H](O)CCN MCULE-7762475170 [1,1,0,0,0,0|1,0,1]=4 2414 B7R0.5 CC(C)[C@H](O)CCN MCULE-8675177820 [1,1,0,0,0,0|1,0,1]=4 2415 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [1,1,0,0,0,0|2,0,0]=4 2416 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,1,0,0,0,0|1,0,0]=3 2417 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,1,0,0,0,0|1,0,0]=3 2418 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [1,1,0,0,0,0|2,0,0]=4 2419 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,1,0,0,0,0|1,0,0]=3 2420 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [1,1,0,0,0,0|1,0,1]=4 2421 B7R0.5 CC(CCO)N(C)C MCULE-4175956173 [1,1,0,0,0,0|1,0,1]=4 2422 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [1,1,0,0,0,0|0,0,2]=4 2423 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [1,1,0,0,0,0|0,0,2]=4 2424 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [1,1,0,0,0,0|0,0,2]=4 2425 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [1,1,0,0,0,0|0,0,2]=4 2426 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [1,1,0,0,0,0|0,0,2]=4 2427 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [1,1,0,0,0,0|1,0,1]=4 2428 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [1,1,0,0,0,0|1,0,1]=4 2429 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [1,1,0,0,0,0|0,0,1]=3 2430 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [1,1,0,0,0,0|1,0,0]=3 2431 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,1,0,0,0,0|0,0,0]=2 2432 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [1,1,0,0,0,0|1,0,0]=3 2433 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [1,1,0,0,0,0|1,0,0]=3 2434 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [1,1,0,0,0,0|1,0,0]=3 2435 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,1,0,0,0,0|0,0,0]=2 2436 B7R0.5 CCCC(C)C(C)C MCULE-1008931357 [1,1,0,0,0,0|1,0,1]=4 2437 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [1,1,0,0,0,0|1,0,1]=4 2438 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,1,0,0,0,0|0,0,0]=2 2439 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,1,0,0,0,0|0,0,0]=2 2440 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [1,1,0,0,0,0|1,0,0]=3 2441 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [1,1,0,0,0,0|1,0,0]=3 2442 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,1,0,0,0,0|0,0,0]=2 2443 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,1,0,0,0,0|0,0,0]=2 2444 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,1,0,0,0,0|0,0,0]=2 2445 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [1,1,0,0,0,0|1,0,0]=3 2446 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,1,0,0,0,0|0,0,0]=2 2447 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,1,0,0,0,0|0,0,0]=2 2448 B7R0.5 CCCC(O)C(C)C MCULE-8942406791 [1,1,0,0,0,0|1,0,1]=4 2449 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [1,1,0,0,0,0|2,0,0]=4 2450 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,1,0,0,0,0|0,0,0]=2 2451 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,1,0,0,0,0|0,0,0]=2 2452 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,1,0,0,0,0|0,0,0]=2 2453 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,1,0,0,0,0|0,0,0]=2 2454 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [1,1,0,0,0,0|1,0,0]=3 2455 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [1,1,0,0,0,0|1,0,0]=3 2456 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [1,1,0,0,0,0|1,0,0]=3 2457 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [1,1,0,0,0,0|1,0,0]=3 2458 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,1,0,0,0,0|0,0,0]=2 2459 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,1,0,0,0,0|0,0,0]=2 2460 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,1,0,0,0,0|0,0,0]=2 2461 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,1,0,0,0,0|0,0,0]=2 2462 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,1,0,0,0,0|0,0,0]=2 2463 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [1,1,0,0,0,0|1,0,1]=4 2464 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [1,1,0,0,0,0|2,0,0]=4 2465 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [1,1,0,0,0,0|2,0,0]=4 2466 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [1,1,0,0,0,0|1,0,0]=3 2467 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [1,1,0,0,0,0|1,0,0]=3 2468 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [1,1,0,0,0,0|1,0,0]=3 2469 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [1,1,0,0,0,0|1,0,1]=4 2470 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [1,1,0,0,0,0|1,0,0]=3 2471 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [1,1,0,0,0,0|1,0,0]=3 2472 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,1,0,0,0,0|1,0,0]=3 2473 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,1,0,0,0,0|1,0,0]=3 2474 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [1,1,0,0,0,0|1,0,0]=3 2475 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [1,1,0,0,0,0|1,0,0]=3 2476 B7R0.5 CNCC(N)C(C)C MCULE-6535124409 [1,1,0,0,0,0|2,0,0]=4 2477 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [1,1,0,0,0,0|1,0,0]=3 2478 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [1,1,0,0,0,0|1,0,0]=3 2479 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [1,1,0,0,0,0|1,0,0]=3 2480 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [1,1,0,0,0,0|1,0,0]=3 2481 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [1,1,0,0,0,0|1,0,0]=3 2482 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [1,1,0,0,0,0|2,0,0]=4 2483 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,1,0,0,0,0|1,0,0]=3 2484 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [1,1,0,0,0,0|1,0,0]=3 2485 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [1,1,0,0,0,0|2,0,0]=4 2486 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [1,1,0,0,0,0|2,0,0]=4 2487 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [1,1,0,0,0,0|1,0,0]=3 2488 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [1,1,0,0,0,0|1,0,0]=3 2489 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [1,1,0,0,0,0|1,0,0]=3 2490 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [1,1,0,0,0,0|1,0,0]=3 2491 B7R0.5 COCC(N)C(C)C MCULE-4185259512 [1,1,0,0,0,0|2,0,0]=4 2492 B7R0.5 COCC(N)C(C)C MCULE-6424539237 [1,1,0,0,0,0|2,0,0]=4 2493 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,1,0,0,0,0|1,0,0]=3 2494 B7R0.5 COCC(O)C(C)C MCULE-3818851772 [1,1,0,0,0,0|2,0,0]=4 2495 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [1,1,0,0,0,0|1,0,0]=3 2496 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [1,1,0,0,0,0|1,0,0]=3 2497 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [1,1,0,0,0,0|1,0,0]=3 2498 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [1,1,0,0,0,0|1,0,0]=3 2499 B7R0.5 COC[C@@H](N)C(C)C MCULE-2081062888 [1,1,0,0,0,0|2,0,0]=4 2500 B7R0.5 COC[C@@H](N)C(C)C MCULE-3286077946 [1,1,0,0,0,0|2,0,0]=4 2501 B7R0.5 COC[C@@H](N)C(C)C MCULE-3882144478 [1,1,0,0,0,0|2,0,0]=4 2502 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [1,1,0,0,0,0|1,0,0]=3 2503 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [1,1,0,0,0,0|1,0,0]=3 2504 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [1,1,0,0,0,0|1,0,0]=3 2505 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [1,1,0,0,0,0|1,0,0]=3 2506 B7R0.5 COC[C@H](N)C(C)C MCULE-3191900867 [1,1,0,0,0,0|2,0,0]=4 2507 B7R0.5 COC[C@H](N)C(C)C MCULE-3410691563 [1,1,0,0,0,0|2,0,0]=4 2508 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,1,0,0,0,0|1,0,0]=3 2509 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [1,1,0,0,0,0|1,0,0]=3 2510 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [1,1,0,0,0,0|1,0,0]=3 2511 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [1,1,0,0,0,0|1,0,0]=3 2512 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [1,1,0,0,0,0|1,0,0]=3 2513 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [1,1,0,0,0,0|1,0,0]=3 2514 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [1,1,0,0,0,0|1,0,0]=3 2515 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [1,1,0,0,0,0|1,0,0]=3 2516 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [1,1,0,0,0,0|1,0,0]=3 2517 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [1,1,0,0,0,0|1,0,0]=3 2518 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [1,1,0,0,0,0|1,0,0]=3 2519 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [1,1,0,0,0,0|1,0,1]=4 2520 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [1,1,0,0,0,0|1,0,1]=4 2521 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [1,1,0,0,0,0|1,0,1]=4 2522 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [1,1,0,0,0,0|2,0,0]=4 2523 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [1,1,0,0,0,0|1,0,0]=3 2524 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [1,1,0,0,0,0|1,0,0]=3 2525 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [1,1,0,0,0,0|1,0,0]=3 2526 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [1,1,0,0,0,0|1,0,0]=3 2527 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,1,0,0,0,0|1,0,0]=3 2528 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,1,0,0,0,0|1,0,0]=3 2529 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [1,1,0,0,0,0|1,0,0]=3 2530 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [1,1,0,0,0,0|1,0,0]=3 2531 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [1,1,0,0,0,0|2,0,0]=4 2532 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,1,0,0,0,0|1,0,0]=3 2533 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,1,0,0,0,0|1,0,0]=3 2534 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,1,0,0,0,0|1,0,0]=3 2535 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,1,0,0,0,0|1,0,0]=3 2536 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,1,0,0,0,0|1,0,0]=3 2537 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,1,0,0,0,0|1,0,0]=3 2538 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,1,0,0,0,0|1,0,0]=3 2539 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,1,0,0,0,0|1,0,0]=3 2540 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,1,0,0,0,0|1,0,0]=3 2541 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,1,0,0,0,0|1,0,0]=3 2542 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,1,0,0,0,0|1,0,0]=3 2543 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,1,0,0,0,0|1,0,0]=3 2544 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,1,0,0,0,0|1,0,0]=3 2545 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,1,0,0,0,0|1,0,0]=3 2546 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,1,0,0,0,0|1,0,0]=3 2547 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,1,0,0,0,0|1,0,0]=3 2548 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,1,0,0,0,0|1,0,0]=3 2549 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,1,0,0,0,0|1,0,0]=3 2550 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,1,0,0,0,0|1,0,0]=3 2551 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,1,0,0,0,0|1,0,0]=3 2552 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,1,0,0,0,0|1,0,0]=3 2553 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,1,0,0,0,0|1,0,0]=3 2554 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,1,0,0,0,0|1,0,0]=3 2555 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,1,0,0,0,0|1,0,0]=3 2556 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,1,0,0,0,0|1,0,0]=3 2557 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,1,0,0,0,0|1,0,0]=3 2558 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,1,0,0,0,0|1,0,0]=3 2559 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [1,1,0,0,0,0|2,0,0]=4 2560 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [1,1,0,0,0,0|1,0,0]=3 2561 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [1,1,0,0,0,0|1,0,0]=3 2562 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [1,1,0,0,0,0|1,0,0]=3 2563 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [1,1,0,0,0,0|1,0,0]=3 2564 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,1,0,0,0,0|1,0,0]=3 2565 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,1,0,0,0,0|1,0,0]=3 2566 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [1,1,0,0,0,0|1,0,0]=3 2567 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [1,1,0,0,0,0|1,0,0]=3 2568 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [1,1,0,0,0,0|2,0,0]=4 2569 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [1,1,0,0,0,0|1,0,0]=3 2570 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [1,1,0,0,0,0|1,0,0]=3 2571 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,1,0,0,0,0|1,0,0]=3 2572 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,1,0,0,0,0|1,0,0]=3 2573 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [1,1,0,0,0,0|1,0,0]=3 2574 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [1,1,0,0,0,0|1,0,0]=3 2575 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [1,1,0,0,0,0|2,0,0]=4 2576 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [1,1,0,0,0,0|2,0,0]=4 2577 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [1,1,0,0,0,0|2,0,0]=4 2578 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [1,1,0,0,0,0|1,0,0]=3 2579 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,1,0,0,0,0|1,0,0]=3 2580 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [1,1,0,0,0,0|0,0,2]=4 2581 B7R0.8 C#CCCC(C)(C)O MCULE-8518979057 [1,1,0,0,0,0|1,0,1]=4 2582 B7R0.8 C=CCCC(C)(C)C MCULE-8786196383 [1,1,0,0,0,0|1,0,0]=3 2583 B7R0.8 C=CCCC(C)(C)N MCULE-4917756483 [1,1,0,0,0,0|1,0,0]=3 2584 B7R0.8 C=CCCC(C)(C)N MCULE-6232196724 [1,1,0,0,0,0|1,0,0]=3 2585 B7R0.8 C=CCCC(C)(C)O MCULE-6514590251 [1,1,0,0,0,0|1,0,0]=3 2586 B7R0.8 C=CCC[Si](C)(C)C MCULE-9475403054 [1,1,0,0,0,0|1,1,0]=4 2587 B7R0.8 C=CCNC(C)(C)C MCULE-6482977976 [1,1,0,0,0,0|2,0,0]=4 2588 B7R0.8 C=CCNC(C)(C)C MCULE-7967337441 [1,1,0,0,0,0|2,0,0]=4 2589 B7R0.8 CC(C)(C)CCC#N MCULE-3859085521 [1,1,0,0,0,0|1,0,1]=4 2590 B7R0.8 CC(C)(C)CCC=O MCULE-1451861515 [1,1,0,0,0,0|0,0,0]=2 2591 B7R0.8 CC(C)(C)CCCBr MCULE-4957327319 [1,1,0,0,0,0|1,0,1]=4 2592 B7R0.8 CC(C)(C)CCCCl MCULE-2639997289 [1,1,0,0,0,0|1,0,1]=4 2593 B7R0.8 CC(C)(C)CCCN MCULE-4819398612 [1,1,0,0,0,0|1,0,1]=4 2594 B7R0.8 CC(C)(C)CCCN MCULE-8532835162 [1,1,0,0,0,0|1,0,1]=4 2595 B7R0.8 CC(C)(C)CCCO MCULE-6612017649 [1,1,0,0,0,0|0,0,1]=3 2596 B7R0.8 CC(C)(C)CCNN MCULE-1135702388 [1,1,0,0,0,0|2,0,0]=4 2597 B7R0.8 CC(C)(C)CCNN MCULE-9156763103 [1,1,0,0,0,0|2,0,0]=4 2598 B7R0.8 CC(C)(C)CCON MCULE-2291447993 [1,1,0,0,0,0|2,0,0]=4 2599 B7R0.8 CC(C)(C)CN=C=O MCULE-5314905295 [1,1,0,0,0,0|1,0,1]=4 2600 B7R0.8 CC(C)(C)NCCO MCULE-4847202538 [1,1,0,0,0,0|1,0,1]=4 2601 B7R0.8 CC(C)(C)OCCO MCULE-7079168773 [1,1,0,0,0,0|1,0,1]=4 2602 B7R0.8 CC(C)(C)SCCO MCULE-5098402639 [1,1,0,0,0,0|1,0,1]=4 2603 B7R0.8 CC(C)(Cl)CCC#N MCULE-2375664185 [1,1,0,0,0,0|1,0,1]=4 2604 B7R0.8 CC(C)(N)CCC#N MCULE-5759855320 [1,1,0,0,0,0|1,0,1]=4 2605 B7R0.8 CC(C)(N)CCCN MCULE-2030762085 [1,1,0,0,0,0|1,0,1]=4 2606 B7R0.8 CC(C)(N)CCCO MCULE-7933621714 [1,1,0,0,0,0|0,0,1]=3 2607 B7R0.8 CC(C)(O)CCCBr MCULE-5479502475 [1,1,0,0,0,0|1,0,1]=4 2608 B7R0.8 CC(C)(O)CCCN MCULE-1661840780 [1,1,0,0,0,0|1,0,1]=4 2609 B7R0.8 CC(C)(O)CCCO MCULE-1879136086 [1,1,0,0,0,0|0,0,1]=3 2610 B7R0.8 CC(C)(O)CCNN MCULE-1931103100 [1,1,0,0,0,0|2,0,0]=4 2611 B7R0.8 CC(C)(O)CCNN MCULE-8954589001 [1,1,0,0,0,0|2,0,0]=4 2612 B7R0.8 CC(F)(F)CCC=O MCULE-8198686125 [1,1,0,0,0,0|1,0,0]=3 2613 B7R0.8 CC(F)(F)CCCO MCULE-1590790031 [1,1,0,0,0,0|1,0,1]=4 2614 B7R0.8 CCCCC(C)(C)C MCULE-4446772090 [1,1,0,0,0,0|1,0,1]=4 2615 B7R0.8 CCCCC(C)(C)O MCULE-6518378731 [1,1,0,0,0,0|1,0,1]=4 2616 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [1,1,0,0,0,0|1,0,0]=3 2617 B7R0.8 CCCCS(=O)(=O)Cl MCULE-8979625112 [1,1,0,0,0,0|1,0,1]=4 2618 B7R0.8 CCCCS(=O)(=O)F MCULE-6322697475 [1,1,0,0,0,0|1,0,1]=4 2619 B7R0.8 CCCCS(=O)(=O)N MCULE-2248674497 [1,1,0,0,0,0|1,0,1]=4 2620 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [1,1,0,0,0,0|1,0,0]=3 2621 B7R0.8 CCCCS(=O)(=O)[O-] MCULE-9859570424 [1,1,0,0,0,0|1,0,1]=4 2622 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [1,1,0,0,0,0|2,0,0]=4 2623 B7R0.8 CNCCC(C)(C)C MCULE-4129415722 [1,1,0,0,0,0|2,0,0]=4 2624 B7R0.8 CNCCC(C)(C)C MCULE-8255669777 [1,1,0,0,0,0|2,0,0]=4 2625 B7R0.8 CNCCC(C)(C)N MCULE-2728169604 [1,1,0,0,0,0|2,0,0]=4 2626 B7R0.8 CNCCC(C)(C)N MCULE-3540926370 [1,1,0,0,0,0|2,0,0]=4 2627 B7R0.8 CNCCC(C)(C)O MCULE-6866727490 [1,1,0,0,0,0|2,0,0]=4 2628 B7R0.8 CNCCS(=O)(=O)O MCULE-4217252594 [1,1,0,0,0,0|2,0,0]=4 2629 B7R0.8 COCCC(C)(C)N MCULE-7159634596 [1,1,0,0,0,0|2,0,0]=4 2630 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [1,1,0,0,0,0|2,0,0]=4 2631 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [1,1,0,0,0,0|2,0,0]=4 2632 B7R0.8 CS(=O)(=O)CCC=O MCULE-1821843669 [1,1,0,0,0,0|2,0,0]=4 2633 B7R0.8 CSCCC(C)(C)N MCULE-5957026834 [1,1,0,0,0,0|2,0,0]=4 2634 B7R0.8 C[Si](C)(C)CC=CO MCULE-2644578187 [1,1,0,0,0,0|0,1,1]=4 2635 B7R0.8 C[Si](C)(C)CCCO MCULE-4140493646 [1,1,0,0,0,0|0,1,1]=4 2636 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [1,1,0,0,0,0|2,0,0]=4 2637 B7R0.8 NCCCS(=O)(=O)O MCULE-6933013590 [1,1,0,0,0,0|2,0,0]=4 2638 B7R0.8 O=CCCC(F)(F)F MCULE-8231441138 [1,1,0,0,0,0|2,0,0]=4 2639 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [1,1,0,0,0,0|2,0,0]=4 2640 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [1,1,0,0,0,0|2,0,0]=4 2641 B7R0.8 O=S(=O)(O)CCCBr MCULE-8256529568 [1,1,0,0,0,0|2,0,0]=4 2642 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [1,1,0,0,0,0|2,0,0]=4 2643 B7R0.8 O=S(=O)(O)CCCS MCULE-4609690087 [1,1,0,0,0,0|2,0,0]=4 2644 B7R0.9 C=C(C)CC(C)(C)C MCULE-2888894392 [0,1,0,0,1,0|2,0,0]=4 2645 B7R0.9 CC(=O)CC(C)(C)C MCULE-5477546626 [0,1,0,0,1,0|1,0,0]=3 2646 B7R0.9 CC(=O)CC(C)(C)Cl MCULE-5981575591 [0,1,0,0,1,0|1,0,0]=3 2647 B7R0.9 CC(=O)CC(C)(C)N MCULE-1511988439 [0,1,0,0,1,0|1,0,0]=3 2648 B7R0.9 CC(=O)CC(C)(C)N MCULE-7807079460 [0,1,0,0,1,0|1,0,0]=3 2649 B7R0.9 CC(=O)CC(C)(C)N MCULE-8677016157 [0,1,0,0,1,0|1,0,0]=3 2650 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [0,1,0,0,1,0|1,0,0]=3 2651 B7R0.9 CC(=O)CC(C)(C)S MCULE-8901285593 [0,1,0,0,1,0|1,0,0]=3 2652 B7R0.9 CC(=O)NC(C)(C)C MCULE-7590749185 [0,1,0,0,1,0|2,0,0]=4 2653 B7R0.9 CC(=O)OC(C)(C)C MCULE-4713236745 [0,1,0,0,1,0|2,0,0]=4 2654 B7R0.9 CC(=O)SC(C)(C)C MCULE-7111846167 [0,1,0,0,1,0|2,0,0]=4 2655 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [0,1,0,0,1,0|0,0,0]=2 2656 B7R0.9 CC(C)(C)CB(O)O MCULE-7159615994 [0,1,0,0,1,0|1,0,1]=4 2657 B7R0.9 CC(C)(C)CC(=O)Cl MCULE-6018997465 [0,1,0,0,1,0|1,0,0]=3 2658 B7R0.9 CC(C)(C)CC(=O)N MCULE-5884141657 [0,1,0,0,1,0|1,0,0]=3 2659 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [0,1,0,0,1,0|0,0,0]=2 2660 B7R0.9 CC(C)(C)CS(=O)[O-] MCULE-3570989156 [0,1,0,0,1,0|1,0,1]=4 2661 B7R0.9 CC(C)(C)CS(=O)[O-] MCULE-8224255733 [0,1,0,0,1,0|1,0,1]=4 2662 B7R0.9 CC(C)(C)NC(=O)N MCULE-7867571542 [0,1,0,0,1,0|2,0,0]=4 2663 B7R0.9 CC(C)(C)OC(=O)N MCULE-8089044173 [0,1,0,0,1,0|2,0,0]=4 2664 B7R0.9 CC(C)(C)SC(=O)Cl MCULE-5079482641 [0,1,0,0,1,0|2,0,0]=4 2665 B7R0.9 CC(C)(N)CC(=O)N MCULE-8203649114 [0,1,0,0,1,0|1,0,0]=3 2666 B7R0.9 CC(C)(N)CC(=O)N MCULE-9031143786 [0,1,0,0,1,0|1,0,0]=3 2667 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [0,1,0,0,1,0|0,0,0]=2 2668 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [0,1,0,0,1,0|0,0,0]=2 2669 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [0,1,0,0,1,0|0,0,0]=2 2670 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,1,0,0,1,0|0,0,0]=2 2671 B7R0.9 CC(C)(O)CN(=O)=O MCULE-5099028458 [0,1,0,0,1,0|1,0,1]=4 2672 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [0,1,0,0,1,0|0,0,0]=2 2673 B7R0.9 CC(C)CC(C)(C)O MCULE-3204875128 [0,1,0,0,1,0|1,0,1]=4 2674 B7R0.9 CC(C)CP(=O)(O)O MCULE-5164389604 [0,1,0,0,1,0|1,0,0]=3 2675 B7R0.9 CC(C)CS(=O)(=O)Cl MCULE-9367875558 [0,1,0,0,1,0|1,0,1]=4 2676 B7R0.9 CC(C)CS(=O)(=O)F MCULE-1313713922 [0,1,0,0,1,0|1,0,1]=4 2677 B7R0.9 CC(C)CS(=O)(=O)N MCULE-9972789825 [0,1,0,0,1,0|1,0,1]=4 2678 B7R0.9 CC(C)NS(=O)(=O)O MCULE-8414216278 [0,1,0,0,1,0|2,0,0]=4 2679 B7R0.9 CC(C)OS(=O)(=O)O MCULE-9056417787 [0,1,0,0,1,0|2,0,0]=4 2680 B7R0.9 CC(F)(F)CC(=O)O MCULE-2075069695 [0,1,0,0,1,0|1,0,0]=3 2681 B7R0.9 CC(N)CS(=O)(=O)O MCULE-7402057915 [0,1,0,0,1,0|2,0,0]=4 2682 B7R0.9 CC(O)CC(C)(C)C MCULE-3536219229 [0,1,0,0,1,0|1,0,1]=4 2683 B7R0.9 CC(O)CC(C)(C)N MCULE-2860111904 [0,1,0,0,1,0|1,0,1]=4 2684 B7R0.9 CC(O)CC(C)(C)O MCULE-5281049691 [0,1,0,0,1,0|1,0,1]=4 2685 B7R0.9 CC(O)CC(C)(C)O MCULE-8163963858 [0,1,0,0,1,0|1,0,1]=4 2686 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [0,1,0,0,1,0|2,0,0]=4 2687 B7R0.9 C[As+](C)(C)CC(=O)O MCULE-7167642312 [0,1,0,0,1,0|1,0,0]=3 2688 B7R0.9 C[As+](C)(C)CC(=O)[O-] MCULE-4852790942 [0,1,0,0,1,0|1,0,1]=4 2689 B7R0.9 C[C@@H](O)CC(C)(C)O MCULE-5779966658 [0,1,0,0,1,0|1,0,1]=4 2690 B7R0.9 C[C@H](O)CC(C)(C)O MCULE-6903579241 [0,1,0,0,1,0|1,0,1]=4 2691 B7R0.9 C[N+](C)(C)CC(=O)Cl MCULE-1674168490 [0,1,0,0,1,0|2,0,0]=4 2692 B7R0.9 C[N+](C)(C)CC(=O)Cl MCULE-2186832169 [0,1,0,0,1,0|2,0,0]=4 2693 B7R0.9 C[N+](C)(C)CC(=O)N MCULE-3264501433 [0,1,0,0,1,0|2,0,0]=4 2694 B7R0.9 C[N+](C)(C)CC(=O)N MCULE-9355968445 [0,1,0,0,1,0|2,0,0]=4 2695 B7R0.9 C[N+](C)(C)CC(=O)O MCULE-5937838609 [0,1,0,0,1,0|1,0,0]=3 2696 B7R0.9 C[N+](C)(C)CC(=O)[O-] MCULE-8745470661 [0,1,0,0,1,0|1,0,1]=4 2697 B7R0.9 C[Si](C)(C)CC(=O)O MCULE-3888042601 [0,1,0,0,1,0|0,1,0]=3 2698 B7R0.9 O=C(O)CC(F)(F)F MCULE-5328586639 [0,1,0,0,1,0|2,0,0]=4 2699 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [0,1,0,0,1,0|0,0,1]=3 2700 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,0,0,1,0|0,0,2]=4 2701 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,0,0,1,0|0,0,2]=4 2702 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,0,0,1,0|0,0,2]=4 2703 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,0,0,1,0|0,0,2]=4 2704 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,0,0,1,0|0,0,2]=4 2705 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,0,0,1,0|0,0,2]=4 2706 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,0,0,1,0|0,0,2]=4 2707 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,0,0,1,0|0,0,2]=4 2708 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,1,0,0,1,0|0,0,2]=4 2709 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,1,0,0,1,0|0,0,2]=4 2710 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,1,0,0,1,0|0,0,2]=4 2711 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,1,0,0,1,0|0,0,2]=4 2712 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [0,1,0,0,1,0|1,0,0]=3 2713 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [0,1,0,0,1,0|1,0,0]=3 2714 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,1,0,0,1,0|1,0,0]=3 2715 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,1,0,0,1,0|1,0,0]=3 2716 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,1,0,0,1,0|1,0,0]=3 2717 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,1,0,0,1,0|1,0,0]=3 2718 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,1,0,0,1,0|2,0,0]=4 2719 B7R0.16 CC(C)C(=O)C(=O)Cl MCULE-6254092186 [0,1,0,0,1,0|1,0,1]=4 2720 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,1,0,0,1,0|0,0,1]=3 2721 B7R0.16 CC(C)C(=O)C(=O)[O-] MCULE-3960241746 [0,1,0,0,1,0|0,0,2]=4 2722 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [0,1,0,0,1,0|1,0,0]=3 2723 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [0,1,0,0,1,0|1,0,0]=3 2724 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [0,1,0,0,1,0|1,0,0]=3 2725 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,1,0,0,1,0|0,0,0]=2 2726 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,1,0,0,1,0|0,0,0]=2 2727 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [0,1,0,0,1,0|1,0,0]=3 2728 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,1,0,0,1,0|0,0,0]=2 2729 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [0,1,0,0,1,0|1,0,0]=3 2730 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,1,0,0,1,0|0,0,0]=2 2731 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,1,0,0,1,0|0,0,0]=2 2732 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,1,0,0,1,0|1,0,0]=3 2733 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,1,0,0,1,0|1,0,0]=3 2734 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,1,0,0,1,0|0,0,0]=2 2735 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,1,0,0,1,0|0,0,0]=2 2736 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,1,0,0,1,0|0,0,0]=2 2737 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,1,0,0,1,0|0,0,0]=2 2738 B7R0.16 CC(C)N(C)C(=O)Cl MCULE-1063482503 [0,1,0,0,1,0|2,0,0]=4 2739 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,1,0,0,1,0|0,0,0]=2 2740 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,1,0,0,1,0|0,0,0]=2 2741 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,1,0,0,1,0|1,0,0]=3 2742 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,1,0,0,1,0|1,0,0]=3 2743 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,1,0,0,1,0|1,0,0]=3 2744 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,1,0,0,1,0|1,0,0]=3 2745 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,1,0,0,1,0|0,0,0]=2 2746 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,1,0,0,1,0|0,0,0]=2 2747 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,1,0,0,1,0|0,0,0]=2 2748 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,1,0,0,1,0|0,0,0]=2 2749 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,1,0,0,1,0|0,0,0]=2 2750 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,1,0,0,1,0|0,0,0]=2 2751 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,1,0,0,1,0|0,0,0]=2 2752 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,1,0,0,1,0|0,0,0]=2 2753 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,1,0,0,1,0|0,0,0]=2 2754 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,1,0,0,1,0|0,0,0]=2 2755 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,1,0,0,1,0|1,0,0]=3 2756 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,1,0,0,1,0|1,0,0]=3 2757 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,1,0,0,1,0|1,0,0]=3 2758 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,1,0,0,1,0|1,0,0]=3 2759 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,1,0,0,1,0|1,0,0]=3 2760 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,1,0,0,1,0|1,0,0]=3 2761 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,1,0,0,1,0|0,0,0]=2 2762 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,1,0,0,1,0|0,0,0]=2 2763 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,1,0,0,1,0|0,0,0]=2 2764 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,1,0,0,1,0|0,0,0]=2 2765 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,1,0,0,1,0|1,0,0]=3 2766 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,1,0,0,1,0|1,0,0]=3 2767 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,1,0,0,1,0|1,0,0]=3 2768 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,1,0,0,1,0|1,0,0]=3 2769 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,1,0,0,1,0|1,0,0]=3 2770 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,0,0,1,0|1,0,0]=3 2771 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,1,0,0,1,0|2,0,0]=4 2772 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,1,0,0,1,0|2,0,0]=4 2773 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,0,0,1,0|1,0,0]=3 2774 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,0,0,1,0|1,0,0]=3 2775 B7R0.16 CN(C)C(=O)C(=O)O MCULE-4063274840 [0,1,0,0,1,0|1,0,1]=4 2776 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,1,0,0,1,0|1,0,0]=3 2777 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,1,0,0,1,0|1,0,0]=3 2778 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,1,0,0,1,0|1,0,0]=3 2779 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,0,0,1,0|1,0,0]=3 2780 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,0,0,1,0|1,0,0]=3 2781 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,0,0,1,0|1,0,0]=3 2782 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,0,0,1,0|1,0,0]=3 2783 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,0,0,1,0|1,0,0]=3 2784 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,1,0,0,1,0|2,0,0]=4 2785 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,1,0,0,1,0|2,0,0]=4 2786 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,1,0,0,1,0|2,0,0]=4 2787 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,1,0,0,1,0|2,0,0]=4 2788 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,1,0,0,1,0|2,0,0]=4 2789 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,1,0,0,1,0|2,0,0]=4 2790 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,0,0,1,0|1,0,0]=3 2791 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,0,0,1,0|1,0,0]=3 2792 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,0,0,1,0|1,0,0]=3 2793 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,0,0,1,0|1,0,0]=3 2794 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,0,0,1,0|1,0,0]=3 2795 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,0,0,1,0|1,0,0]=3 2796 B7R0.16 C[C@H](C(=O)N)N(C)C MCULE-1489374162 [0,1,0,0,1,0|2,0,0]=4 2797 B7R0.16 C[C@H](C(=O)N)N(C)C MCULE-7938995734 [0,1,0,0,1,0|2,0,0]=4 2798 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,1,0,0,1,0|1,0,0]=3 2799 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,1,0,0,1,0|1,0,0]=3 2800 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,1,0,0,1,0|1,0,0]=3 2801 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,1,0,0,1,0|1,0,0]=3 2802 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,0,0,1,0|1,0,0]=3 2803 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,0,0,1,0|1,0,0]=3 2804 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,1,0,0,1,0|1,0,0]=3 2805 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,1,0,0,1,0|1,0,0]=3 2806 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,0,0,1,0|1,0,0]=3 2807 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,0,0,1,0|1,0,0]=3 2808 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,0,0,1,0|1,0,0]=3 2809 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,0,0,1,0|1,0,0]=3 2810 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,0,0,1,0|1,0,0]=3 2811 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,0,0,1,0|1,0,0]=3 2812 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,0,0,1,0|1,0,0]=3 2813 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [0,1,0,0,1,0|2,0,0]=4 2814 B9R0.1 C=C(C)CCCC(=O)OC MCULE-9632804158 [0,1,0,0,0,1|0,0,2]=4 2815 B9R0.1 C=CC(=O)NCCN(C)C MCULE-7028967910 [0,1,0,0,0,1|2,0,0]=4 2816 B9R0.1 C=CC(=O)OCCC(C)C MCULE-5192931697 [0,1,0,0,0,1|1,0,0]=3 2817 B9R0.1 C=CC(=O)OCCN(C)C MCULE-9056293498 [0,1,0,0,0,1|2,0,0]=4 2818 B9R0.1 CC(C)CCCC(C)CO MCULE-8737374566 [0,1,0,0,0,1|1,0,1]=4 2819 B9R0.1 CC(C)CCNC(=O)CCl MCULE-9051227303 [0,1,0,0,0,1|1,0,0]=3 2820 B9R0.1 CC(C)CCNC(=S)NN MCULE-5255663258 [0,1,0,0,0,1|1,1,0]=4 2821 B9R0.1 CC(C)CCOC(=O)CCl MCULE-3110922497 [0,1,0,0,0,1|1,0,0]=3 2822 B9R0.1 CC(C)CCOC(=O)CS MCULE-8135594899 [0,1,0,0,0,1|0,1,0]=3 2823 B9R0.1 CC(C)COCC(O)CN MCULE-5255759665 [0,1,0,0,0,1|1,0,1]=4 2824 B9R0.1 CC(C)COCC(O)CO MCULE-6665926443 [0,1,0,0,0,1|0,0,2]=4 2825 B9R0.1 CC(C)NCCC(=O)NN MCULE-8523442264 [0,1,0,0,0,1|1,0,0]=3 2826 B9R0.1 CC(O)CCNC(=O)CN MCULE-2254047793 [0,1,0,0,0,1|2,0,0]=4 2827 B9R0.1 CC(O)CCNC(=O)CN MCULE-3406589793 [0,1,0,0,0,1|2,0,0]=4 2828 B9R0.1 CCC(=CCCC(=O)O)C MCULE-6674917264 [0,1,0,0,0,1|0,0,1]=3 2829 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [0,1,0,0,0,1|1,0,1]=4 2830 B9R0.1 CCC(=O)NCCC(=O)O MCULE-8290753533 [0,1,0,0,0,1|1,0,1]=4 2831 B9R0.1 CCC(=O)OCCC(C)C MCULE-3753568890 [0,1,0,0,0,1|1,0,0]=3 2832 B9R0.1 CCC(C)CCCC(=O)O MCULE-5124776736 [0,1,0,0,0,1|0,0,0]=2 2833 B9R0.1 CCC(C)CCOC(=O)C MCULE-7887852572 [0,1,0,0,0,1|1,0,0]=3 2834 B9R0.1 CCC(C)NCCC(=O)N MCULE-1926892639 [0,1,0,0,0,1|1,0,0]=3 2835 B9R0.1 CCC(C)NCCC(=O)N MCULE-9191758717 [0,1,0,0,0,1|1,0,0]=3 2836 B9R0.1 CCC(C)OCCC(=O)C MCULE-5228891169 [0,1,0,0,0,1|1,0,0]=3 2837 B9R0.1 CN(C)CCNC(=O)CN MCULE-2237593119 [0,1,0,0,0,1|2,0,0]=4 2838 B9R0.1 CN(C)CCNC(=O)CN MCULE-2770226063 [0,1,0,0,0,1|2,0,0]=4 2839 B9R0.1 CN(CCCC(=O)O)N=O MCULE-9429394767 [0,1,0,0,0,1|2,0,0]=4 2840 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [0,1,0,0,0,1|1,0,1]=4 2841 B9R0.1 CNC(=O)CCNC(C)C MCULE-8184733424 [0,1,0,0,0,1|1,0,0]=3 2842 B9R0.1 CNC(=O)COCC(=O)O MCULE-6654181237 [0,1,0,0,0,1|1,0,1]=4 2843 B9R0.1 CNC(=O)NCCC(=O)O MCULE-2339960341 [0,1,0,0,0,1|1,0,1]=4 2844 B9R0.1 CN[C@H](C)CCC=C(C)C MCULE-1274555304 [0,1,0,0,0,1|2,0,0]=4 2845 B9R0.1 COC(=O)/C=C/CC(C)C MCULE-1903765303 [0,1,0,0,0,1|0,0,1]=3 2846 B9R0.1 COC(=O)/C=C/CN(C)C MCULE-1840410919 [0,1,0,0,0,1|1,0,1]=4 2847 B9R0.1 COC(=O)C=CCC(C)C MCULE-4145879256 [0,1,0,0,0,1|0,0,1]=3 2848 B9R0.1 COC(=O)C=CCN(C)C MCULE-2809192245 [0,1,0,0,0,1|1,0,1]=4 2849 B9R0.1 COC(=O)CCCC(=O)C MCULE-7598370905 [0,1,0,0,0,1|1,0,1]=4 2850 B9R0.1 COC(=O)CCCC(=O)O MCULE-9458960872 [0,1,0,0,0,1|1,0,1]=4 2851 B9R0.1 COC(=O)CCNC(=O)C MCULE-2210096145 [0,1,0,0,0,1|1,0,1]=4 2852 B9R0.1 COC(=O)CCNC(C)C MCULE-3115197137 [0,1,0,0,0,1|0,0,0]=2 2853 B9R0.1 COC(=O)CCOC(C)C MCULE-7375114794 [0,1,0,0,0,1|0,0,0]=2 2854 B9R0.1 COC(=O)CNCC(=O)O MCULE-2471794774 [0,1,0,0,0,1|1,0,1]=4 2855 B9R0.1 COC(=O)CNCC(C)C MCULE-6522627999 [0,1,0,0,0,1|0,0,0]=2 2856 B9R0.1 COC(=O)COCC(=O)C MCULE-4891593388 [0,1,0,0,0,1|1,0,1]=4 2857 B9R0.1 COC(=O)COCC(=O)O MCULE-7342647633 [0,1,0,0,0,1|1,0,1]=4 2858 B9R0.1 COC(=O)CSCC(=O)C MCULE-7264442650 [0,1,0,0,0,1|1,0,1]=4 2859 B9R0.1 COC(=O)CSCC(=O)O MCULE-3902674048 [0,1,0,0,0,1|1,0,1]=4 2860 B9R0.1 COC(=O)NCCC(=O)O MCULE-2819384794 [0,1,0,0,0,1|1,0,1]=4 2861 B9R0.1 COC(C)CCOC(=O)C MCULE-3980717537 [0,1,0,0,0,1|1,0,0]=3 2862 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [0,1,0,0,0,1|1,0,1]=4 2863 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [0,1,0,0,0,1|1,0,1]=4 2864 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [0,1,0,0,0,1|1,0,0]=3 2865 B9R0.1 O=C(O)CCNC(=O)CBr MCULE-6072289927 [0,1,0,0,0,1|1,0,1]=4 2866 B9R0.1 O=C(O)CCNC(=O)CCl MCULE-4076619762 [0,1,0,0,0,1|1,0,1]=4 2867 B9R0.1 O=C(O)CCNC(=O)CO MCULE-2710668626 [0,1,0,0,0,1|1,0,1]=4 2868 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-3833333239 [0,1,0,0,0,1|1,0,0]=3 2869 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-5949669555 [0,1,0,0,0,1|1,0,0]=3 2870 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,1,0,0,0,1|0,0,1]=3 2871 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,1,0,0,0,1|0,0,1]=3 2872 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,1,0,0,0,1|0,0,1]=3 2873 B9R0.7 CC(=NOC(C)C(=O)O)C MCULE-2667021953 [0,1,0,0,0,1|1,0,1]=4 2874 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,1,0,0,0,1|1,0,1]=4 2875 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [0,1,0,0,0,1|1,0,1]=4 2876 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,1,0,0,0,1|1,0,1]=4 2877 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,1,0,0,0,1|1,0,1]=4 2878 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,1,0,0,0,1|1,0,1]=4 2879 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,1,0,0,0,1|1,0,1]=4 2880 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,1,0,0,0,1|1,0,1]=4 2881 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,1,0,0,0,1|1,0,1]=4 2882 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,1,0,0,0,1|1,0,1]=4 2883 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,1,0,0,0,1|1,0,1]=4 2884 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,1,0,0,0,1|1,0,1]=4 2885 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,1,0,0,0,1|1,0,1]=4 2886 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,1,0,0,0,1|1,0,1]=4 2887 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,1,0,0,0,1|1,0,1]=4 2888 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,1,0,0,0,1|1,0,1]=4 2889 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,1,0,0,0,1|1,0,1]=4 2890 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,1,0,0,0,1|1,0,1]=4 2891 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,1,0,0,0,1|1,0,1]=4 2892 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,1,0,0,0,1|1,0,1]=4 2893 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,1,0,0,0,1|1,0,1]=4 2894 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,1,0,0,0,1|1,0,1]=4 2895 B9R0.7 CC(C)C(=O)CCC(=O)O MCULE-9072643820 [0,1,0,0,0,1|0,0,0]=2 2896 B9R0.7 CC(C)C(=O)NCC(=O)O MCULE-8263786936 [0,1,0,0,0,1|0,0,1]=3 2897 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [0,1,0,0,0,1|0,0,0]=2 2898 B9R0.7 CC(C)CCC(C)C(C)O MCULE-8246604586 [0,1,0,0,0,1|1,0,1]=4 2899 B9R0.7 CC(C)CCC(F)C(=O)O MCULE-1179378327 [0,1,0,0,0,1|0,0,0]=2 2900 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,1,0,0,0,1|0,0,0]=2 2901 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,1,0,0,0,1|0,0,0]=2 2902 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,1,0,0,0,1|0,0,0]=2 2903 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,1,0,0,0,1|0,0,0]=2 2904 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,1,0,0,0,1|0,0,0]=2 2905 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,1,0,0,0,1|0,0,0]=2 2906 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,1,0,0,0,1|0,0,0]=2 2907 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,1,0,0,0,1|0,0,0]=2 2908 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,1,0,0,0,1|0,0,0]=2 2909 B9R0.7 CC(C)CNC(=O)C(=O)O MCULE-4401645596 [0,1,0,0,0,1|0,0,1]=3 2910 B9R0.7 CC(C)COC(C)C(=O)O MCULE-1125012565 [0,1,0,0,0,1|0,0,0]=2 2911 B9R0.7 CC(C)N(C)CCC(=O)O MCULE-1211739557 [0,1,0,0,0,1|0,0,0]=2 2912 B9R0.7 CC(C)N(C)CCC(=O)O MCULE-7992959591 [0,1,0,0,0,1|0,0,0]=2 2913 B9R0.7 CC(C)OC[C@H](N)C(=O)O MCULE-1578143302 [0,1,0,0,0,1|0,0,0]=2 2914 B9R0.7 CC(C)SCC(N)C(=O)O MCULE-2486867814 [0,1,0,0,0,1|0,0,0]=2 2915 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-5148332124 [0,1,0,0,0,1|1,0,0]=3 2916 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-6459126538 [0,1,0,0,0,1|1,0,0]=3 2917 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-1367979399 [0,1,0,0,0,1|1,0,0]=3 2918 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-7599864369 [0,1,0,0,0,1|1,0,0]=3 2919 B9R0.7 CC(Cl)C(=O)NCC(=O)O MCULE-9908034208 [0,1,0,0,0,1|1,0,1]=4 2920 B9R0.7 CC(N)C(=O)NCC(=O)O MCULE-5334499783 [0,1,0,0,0,1|1,0,1]=4 2921 B9R0.7 CC(S)C(=O)NCC(=O)O MCULE-8593628629 [0,1,0,0,0,1|1,0,1]=4 2922 B9R0.7 CN(C)C(=O)CCC(=O)O MCULE-7236596707 [0,1,0,0,0,1|1,0,0]=3 2923 B9R0.7 CN(C)C(=O)NCC(=O)O MCULE-9308369846 [0,1,0,0,0,1|1,0,1]=4 2924 B9R0.7 CN(C)C(=S)SCC(=O)O MCULE-4108083031 [0,1,0,0,0,1|1,0,1]=4 2925 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,1,0,0,0,1|1,0,0]=3 2926 B9R0.7 CN(C)CCC(O)C(=O)O MCULE-7034022816 [0,1,0,0,0,1|1,0,0]=3 2927 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,1,0,0,0,1|1,0,0]=3 2928 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,1,0,0,0,1|1,0,0]=3 2929 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,1,0,0,0,1|2,0,0]=4 2930 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,1,0,0,0,1|2,0,0]=4 2931 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,1,0,0,0,1|2,0,0]=4 2932 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,1,0,0,0,1|2,0,0]=4 2933 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,1,0,0,0,1|2,0,0]=4 2934 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,1,0,0,0,1|2,0,0]=4 2935 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-1572586456 [0,1,0,0,0,1|1,0,1]=4 2936 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-2334963197 [0,1,0,0,0,1|1,0,1]=4 2937 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-3041567092 [0,1,0,0,0,1|1,0,1]=4 2938 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-5810433569 [0,1,0,0,0,1|1,0,1]=4 2939 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-1231323853 [0,1,0,0,0,1|1,0,1]=4 2940 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-6793382418 [0,1,0,0,0,1|1,0,1]=4 2941 B9R0.7 C[C@H](S)C(=O)NCC(=O)O MCULE-3909668002 [0,1,0,0,0,1|1,0,1]=4 2942 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,1,0,0,0,1|1,0,0]=3 2943 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,1,0,0,0,1|1,0,0]=3 2944 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,1,0,0,0,1|1,0,0]=3 2945 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,1,0,0,0,1|1,0,0]=3 2946 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,1,0,0,0,1|1,0,0]=3 2947 B9R0.7 C[S+](C)CCC(N)C(=O)[O-] MCULE-6795236117 [0,1,0,0,0,1|1,0,1]=4 2948 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,1,0,0,0,1|1,0,0]=3 2949 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,1,0,0,0,1|1,0,0]=3 2950 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,1,0,0,0,1|1,0,0]=3 2951 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,1,0,0,0,1|1,0,0]=3 2952 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,1,0,0,0,1|1,0,0]=3 2953 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,1,0,0,0,1|1,0,0]=3 2954 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,1,0,0,0,1|1,0,0]=3 2955 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,1,0,0,0,1|1,0,0]=3 2956 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,1,0,0,0,1|1,0,0]=3 2957 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,1,0,0,0,1|2,0,0]=4 2958 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,1,0,0,0,1|2,0,0]=4 2959 B9R0.53 C=C(C)CC(C)CC(C)C MCULE-4505551323 [0,1,0,0,0,1|2,0,0]=4 2960 B9R0.53 CC(=O)CC(=NC(C)C)C MCULE-7568775053 [0,1,0,0,0,1|1,0,1]=4 2961 B9R0.53 CC(=O)CC(=O)CC(C)C MCULE-2279264895 [0,1,0,0,0,1|1,0,0]=3 2962 B9R0.53 CC(=O)CC(=O)OC(C)C MCULE-2753945806 [0,1,0,0,0,1|1,0,1]=4 2963 B9R0.53 CC(=O)CC(C)CC(C)C MCULE-3290069482 [0,1,0,0,0,1|1,0,0]=3 2964 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [0,1,0,0,0,1|1,0,1]=4 2965 B9R0.53 CC(=O)NC(C)OC(C)C MCULE-6295741916 [0,1,0,0,0,1|2,0,0]=4 2966 B9R0.53 CC(=O)OC(C)CC(C)C MCULE-4956954975 [0,1,0,0,0,1|1,0,0]=3 2967 B9R0.53 CC(C)CC(C)CC(=O)O MCULE-6189870651 [0,1,0,0,0,1|0,0,0]=2 2968 B9R0.53 CC(C)CC(C)CC(C)O MCULE-3603844824 [0,1,0,0,0,1|1,0,1]=4 2969 B9R0.53 CC(C)CC(C)OC(=O)Cl MCULE-5901476510 [0,1,0,0,0,1|1,0,0]=3 2970 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-3491123553 [0,1,0,0,0,1|0,0,0]=2 2971 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-4917004131 [0,1,0,0,0,1|0,0,0]=2 2972 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-9751191377 [0,1,0,0,0,1|0,0,0]=2 2973 B9R0.53 CC(C)CC(O)CC(=O)O MCULE-2536433460 [0,1,0,0,0,1|0,0,0]=2 2974 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-1906257031 [0,1,0,0,0,1|0,0,0]=2 2975 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-5676550364 [0,1,0,0,0,1|0,0,0]=2 2976 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-8752852377 [0,1,0,0,0,1|0,0,0]=2 2977 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-9926372034 [0,1,0,0,0,1|0,0,0]=2 2978 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5502640895 [0,1,0,0,0,1|0,0,0]=2 2979 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5602246196 [0,1,0,0,0,1|0,0,0]=2 2980 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-6522397846 [0,1,0,0,0,1|0,0,0]=2 2981 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-8594791252 [0,1,0,0,0,1|0,0,0]=2 2982 B9R0.53 CC(C)NC(=O)CC(=O)O MCULE-6733291485 [0,1,0,0,0,1|0,0,1]=3 2983 B9R0.53 CC(C)OC(=O)CC(=O)O MCULE-9720330421 [0,1,0,0,0,1|0,0,1]=3 2984 B9R0.53 CN(C)CC(O)CC(=O)O MCULE-7052117725 [0,1,0,0,0,1|1,0,0]=3 2985 B9R0.56 C=C(Br)CCCC(C)(C)C MCULE-5139420207 [0,1,0,0,0,1|2,0,0]=4 2986 B9R0.56 C=C(C)CCCC(C)(C)C MCULE-4242513604 [0,1,0,0,0,1|2,0,0]=4 2987 B9R0.56 C=C(Cl)CCCC(C)(C)C MCULE-9600452003 [0,1,0,0,0,1|2,0,0]=4 2988 B9R0.56 CC(=O)CCOC(C)(C)C MCULE-7564146395 [0,1,0,0,0,1|1,0,0]=3 2989 B9R0.56 CC(=O)NCC[N+](C)(C)C MCULE-8496483723 [0,1,0,0,0,1|2,0,0]=4 2990 B9R0.56 CC(=O)NCC[N+](C)(C)C MCULE-8521440659 [0,1,0,0,0,1|2,0,0]=4 2991 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-4295517590 [0,1,0,0,0,1|2,0,0]=4 2992 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-4407610890 [0,1,0,0,0,1|2,0,0]=4 2993 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-6461445841 [0,1,0,0,0,1|2,0,0]=4 2994 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-7765616505 [0,1,0,0,0,1|2,0,0]=4 2995 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-9336983715 [0,1,0,0,0,1|2,0,0]=4 2996 B9R0.56 CC(=O)OCC[Si](C)(C)Cl MCULE-8932068563 [0,1,0,0,0,1|1,1,0]=4 2997 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-2411681405 [0,1,0,0,0,1|2,0,0]=4 2998 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-4617747505 [0,1,0,0,0,1|2,0,0]=4 2999 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-6838656617 [0,1,0,0,0,1|2,0,0]=4 3000 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-7762832237 [0,1,0,0,0,1|2,0,0]=4 3001 B9R0.56 CC(=O)SCC[Si](C)(C)C MCULE-5870722900 [0,1,0,0,0,1|1,1,0]=4 3002 B9R0.56 CC(C)(C)CCCC(=O)O MCULE-2659832762 [0,1,0,0,0,1|0,0,0]=2 3003 B9R0.56 CC(C)(C)CNCC(=O)O MCULE-1268208354 [0,1,0,0,0,1|0,0,0]=2 3004 B9R0.56 CC(C)(C)CNCC(=O)O MCULE-5430860345 [0,1,0,0,0,1|0,0,0]=2 3005 B9R0.56 CC(C)(C)COCC(=O)Cl MCULE-1692426636 [0,1,0,0,0,1|1,0,0]=3 3006 B9R0.56 CC(C)(C)NCCC(=O)N MCULE-5827810099 [0,1,0,0,0,1|1,0,0]=3 3007 B9R0.56 CC(C)(C)OCCC(=O)O MCULE-2627981612 [0,1,0,0,0,1|0,0,0]=2 3008 B9R0.56 CC(C)(C)SCCC(=O)O MCULE-3380271202 [0,1,0,0,0,1|0,0,0]=2 3009 B9R0.56 CC(C)(N)COCC(=O)O MCULE-6736911202 [0,1,0,0,0,1|0,0,0]=2 3010 B9R0.56 CC(C)CCCC(C)(C)O MCULE-9448079571 [0,1,0,0,0,1|1,0,1]=4 3011 B9R0.56 CC(C)CCCS(=O)(=O)Cl MCULE-3794104445 [0,1,0,0,0,1|1,0,1]=4 3012 B9R0.56 CC(C)CCNS(=O)(=O)C MCULE-2350285604 [0,1,0,0,0,1|1,0,1]=4 3013 B9R0.56 CC(C)CCOS(=O)(=O)C MCULE-2105352533 [0,1,0,0,0,1|1,0,1]=4 3014 B9R0.56 CC(C)CNCC(C)(C)O MCULE-4126069087 [0,1,0,0,0,1|1,0,1]=4 3015 B9R0.56 CC(C)NCCS(=O)(=O)C MCULE-5980609002 [0,1,0,0,0,1|1,0,1]=4 3016 B9R0.56 CC(C)OCCS(=O)(=O)Cl MCULE-6329153168 [0,1,0,0,0,1|1,0,1]=4 3017 B9R0.56 CC(C)OCCS(=O)(=O)N MCULE-6107866209 [0,1,0,0,0,1|1,0,1]=4 3018 B9R0.56 CS(=O)(=O)CCCC(=O)O MCULE-2515518184 [0,1,0,0,0,1|2,0,0]=4 3019 B9R0.56 CS(=O)(=O)NCCC(=O)O MCULE-7823027792 [0,1,0,0,0,1|2,0,0]=4 3020 B9R0.56 C[N+](C)(C)CCCC(=O)O MCULE-2639547018 [0,1,0,0,0,1|1,0,0]=3 3021 B9R0.56 C[N+](C)(C)CCCC(=O)[O-] MCULE-4081752151 [0,1,0,0,0,1|1,0,1]=4 3022 B9R0.56 C[N+](C)(C)CCOC(=O)N MCULE-5642570831 [0,1,0,0,0,1|2,0,0]=4 3023 B9R0.56 C[N+](C)(C)CCOC(=O)N MCULE-9644162883 [0,1,0,0,0,1|2,0,0]=4 3024 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] MCULE-5927819751 [0,1,0,0,0,1|1,0,1]=4 3025 B9R0.56 C[Si](C)(C)CCCC(=O)O MCULE-6750746548 [0,1,0,0,0,1|0,1,0]=3 3026 B9R0.56 C[Si](C)(C)CCOC(=O)Cl MCULE-1008452969 [0,1,0,0,0,1|1,1,0]=4 3027 B9R0.56 O=C(O)CCCC(F)(F)F MCULE-4498764296 [0,1,0,0,0,1|2,0,0]=4 3028 B9R0.56 O=C(O)CCOC(F)(F)F MCULE-7295065440 [0,1,0,0,0,1|2,0,0]=4 3029 B9R0.56 O=C(O)CCSC(F)(F)F MCULE-2493939273 [0,1,0,0,0,1|2,0,0]=4 3030 B9R0.56 O=C(O)CNCC(F)(F)F MCULE-4901432382 [0,1,0,0,0,1|2,0,0]=4 3031 B9R0.56 O=C(O)CNCC(F)(F)F MCULE-8079486959 [0,1,0,0,0,1|2,0,0]=4 3032 B9R0.56 O=C(O)COCC(F)(F)F MCULE-6589267358 [0,1,0,0,0,1|2,0,0]=4 3033 B9R0.56 O=C(O)CSCC(F)(F)F MCULE-1069362302 [0,1,0,0,0,1|2,0,0]=4 3034 B9R0.21 CC(C)(C)CCC(N)CO MCULE-1507788372 [0,2,0,0,0,0|1,0,1]=4 3035 B9R0.21 CC(C)(C)CCC(N)CO MCULE-9142703528 [0,2,0,0,0,0|1,0,1]=4 3036 B9R0.21 CC(C)(C)CNC(=O)CBr MCULE-8396438298 [0,2,0,0,0,0|2,0,0]=4 3037 B9R0.21 CC(C)(C)CNC(=O)CCl MCULE-1375503865 [0,2,0,0,0,0|2,0,0]=4 3038 B9R0.21 CC(C)(C)COC(=O)NN MCULE-3315229868 [0,2,0,0,0,0|2,0,0]=4 3039 B9R0.21 CC(C)(C)COC(=O)NN MCULE-9469222690 [0,2,0,0,0,0|2,0,0]=4 3040 B9R0.21 CC(C)(C)OCC(=O)CF MCULE-4171757398 [0,2,0,0,0,0|2,0,0]=4 3041 B9R0.21 CC(C)(C)SCC(=O)NN MCULE-7167553391 [0,2,0,0,0,0|2,0,0]=4 3042 B9R0.21 CCC(=O)CNC(C)(C)C MCULE-3702592474 [0,2,0,0,0,0|2,0,0]=4 3043 B9R0.21 CCC(=O)CNC(C)(C)C MCULE-8902561178 [0,2,0,0,0,0|2,0,0]=4 3044 B9R0.21 CNC(=O)CCC(C)(C)N MCULE-4536326458 [0,2,0,0,0,0|1,0,0]=3 3045 B9R0.21 CNC(=O)CCC(C)(C)N MCULE-7986506627 [0,2,0,0,0,0|1,0,0]=3 3046 B9R0.21 COC(=O)/C=C/C(C)(C)C MCULE-2283235578 [0,2,0,0,0,0|0,0,2]=4 3047 B9R0.21 COC(=O)C#CC(C)(C)C MCULE-5062791126 [0,2,0,0,0,0|0,0,2]=4 3048 B9R0.21 COC(=O)C#CC(C)(C)O MCULE-8158378037 [0,2,0,0,0,0|0,0,2]=4 3049 B9R0.21 COC(=O)C=CC(C)(C)N MCULE-1924910769 [0,2,0,0,0,0|0,0,2]=4 3050 B9R0.21 COC(=O)C=CC(C)(C)N MCULE-8886514371 [0,2,0,0,0,0|0,0,2]=4 3051 B9R0.21 COC(=O)CCC(C)(C)N MCULE-2568828362 [0,2,0,0,0,0|0,0,0]=2 3052 B9R0.21 COC(=O)CCC(C)(C)N MCULE-9852599721 [0,2,0,0,0,0|0,0,0]=2 3053 B9R0.21 COC(=O)CCC(Cl)(Cl)Cl MCULE-8300653537 [0,2,0,0,0,0|2,0,0]=4 3054 B9R0.21 COC(=O)CCC(F)(F)F MCULE-1384794202 [0,2,0,0,0,0|2,0,0]=4 3055 B9R0.21 COC(=O)CCS(=O)(=O)C MCULE-4450384265 [0,2,0,0,0,0|2,0,0]=4 3056 B9R0.21 COC(=O)CC[Si](C)(Cl)Cl MCULE-5487918079 [0,2,0,0,0,0|1,1,0]=4 3057 B9R0.21 COC(=O)CNC(C)(C)C MCULE-8749923007 [0,2,0,0,0,0|1,0,0]=3 3058 B9R0.21 COC(=O)CSC(C)(C)C MCULE-3625932599 [0,2,0,0,0,0|1,0,0]=3 3059 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [0,2,0,0,0,0|1,0,1]=4 3060 B9R0.23 C=C(C)CC(N)C(=O)OC MCULE-2770411625 [0,2,0,0,0,0|0,0,2]=4 3061 B9R0.23 C=C(CC(C)C)C(=O)OC MCULE-1643519346 [0,2,0,0,0,0|0,0,1]=3 3062 B9R0.23 CC(C)CC(N)C(=O)CCl MCULE-2848506298 [0,2,0,0,0,0|1,0,0]=3 3063 B9R0.23 CC(C)CC(N)C(=O)CCl MCULE-4073283316 [0,2,0,0,0,0|1,0,0]=3 3064 B9R0.23 CC(C)C[C@H](N)C(=O)CCl MCULE-2596512486 [0,2,0,0,0,0|1,0,0]=3 3065 B9R0.23 CC(C)C[C@H](N)C(=O)CCl MCULE-3649290423 [0,2,0,0,0,0|1,0,0]=3 3066 B9R0.23 CC(C)C[C@H](N)C(=O)CCl MCULE-6460160471 [0,2,0,0,0,0|1,0,0]=3 3067 B9R0.23 CC(C)C[C@H](N)C(=O)CCl MCULE-9537307927 [0,2,0,0,0,0|1,0,0]=3 3068 B9R0.23 CC(C)OC(C)C(=O)NN MCULE-1471162269 [0,2,0,0,0,0|2,0,0]=4 3069 B9R0.23 CC(C)OC(C)C(=O)NN MCULE-6026024430 [0,2,0,0,0,0|2,0,0]=4 3070 B9R0.23 CCC(=O)C(C)CN(C)C MCULE-3857930323 [0,2,0,0,0,0|2,0,0]=4 3071 B9R0.23 CCC(C)C(=N)CC(=O)C MCULE-9690278340 [0,2,0,0,0,0|1,0,1]=4 3072 B9R0.23 CCC(C)C(=O)CC(=O)C MCULE-8072360859 [0,2,0,0,0,0|1,0,1]=4 3073 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-4327977098 [0,2,0,0,0,0|0,0,0]=2 3074 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-9731178196 [0,2,0,0,0,0|0,0,0]=2 3075 B9R0.23 CCN(C)C(C)CC(=O)O MCULE-8864839000 [0,2,0,0,0,0|1,0,0]=3 3076 B9R0.23 CCN(C)C(C)CC(=O)O MCULE-9691138087 [0,2,0,0,0,0|1,0,0]=3 3077 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-3497593262 [0,2,0,0,0,0|0,0,0]=2 3078 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-4155901879 [0,2,0,0,0,0|0,0,0]=2 3079 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-8221314475 [0,2,0,0,0,0|0,0,0]=2 3080 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-9196761404 [0,2,0,0,0,0|0,0,0]=2 3081 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-2430009158 [0,2,0,0,0,0|0,0,0]=2 3082 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-9647386489 [0,2,0,0,0,0|0,0,0]=2 3083 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-2618743733 [0,2,0,0,0,0|0,0,0]=2 3084 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-5773439736 [0,2,0,0,0,0|0,0,0]=2 3085 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-6590436922 [0,2,0,0,0,0|0,0,0]=2 3086 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-9722049324 [0,2,0,0,0,0|0,0,0]=2 3087 B9R0.23 CNC(=O)C(N)CC(C)C MCULE-2139310497 [0,2,0,0,0,0|1,0,0]=3 3088 B9R0.23 CNC(=O)C(N)CN(C)C MCULE-5186886588 [0,2,0,0,0,0|2,0,0]=4 3089 B9R0.23 CNC(=O)[C@@H](N)CC(C)C MCULE-2907260203 [0,2,0,0,0,0|1,0,0]=3 3090 B9R0.23 CNC(=O)[C@@H](N)CC(C)C MCULE-4545627707 [0,2,0,0,0,0|1,0,0]=3 3091 B9R0.23 CNC(=O)[C@H](N)CC(C)C MCULE-3129225096 [0,2,0,0,0,0|1,0,0]=3 3092 B9R0.23 COC(=O)C(=O)CC(C)C MCULE-2219722142 [0,2,0,0,0,0|0,0,1]=3 3093 B9R0.23 COC(=O)C(Br)CC(C)C MCULE-4002467069 [0,2,0,0,0,0|0,0,0]=2 3094 B9R0.23 COC(=O)C(Br)CN(C)C MCULE-2277934398 [0,2,0,0,0,0|1,0,0]=3 3095 B9R0.23 COC(=O)C(Br)CN(C)C MCULE-4302240622 [0,2,0,0,0,0|1,0,0]=3 3096 B9R0.23 COC(=O)C(C)CC(=O)C MCULE-2131243248 [0,2,0,0,0,0|1,0,1]=4 3097 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [0,2,0,0,0,0|1,0,1]=4 3098 B9R0.23 COC(=O)C(C)CN(C)C MCULE-4020751739 [0,2,0,0,0,0|1,0,0]=3 3099 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [0,2,0,0,0,0|1,0,1]=4 3100 B9R0.23 COC(=O)C(N)CC(C)C MCULE-1433046496 [0,2,0,0,0,0|0,0,0]=2 3101 B9R0.23 COC(=O)C(N)CC(C)C MCULE-1553759943 [0,2,0,0,0,0|0,0,0]=2 3102 B9R0.23 COC(=O)C(N)CC(C)C MCULE-4557025081 [0,2,0,0,0,0|0,0,0]=2 3103 B9R0.23 COC(=O)C(N)CC(C)C MCULE-8510501543 [0,2,0,0,0,0|0,0,0]=2 3104 B9R0.23 COC(=O)C(N)CC(F)F MCULE-3550560326 [0,2,0,0,0,0|2,0,0]=4 3105 B9R0.23 COC(=O)C(N)CC(F)F MCULE-5671328379 [0,2,0,0,0,0|2,0,0]=4 3106 B9R0.23 COC(=O)C(N)CN(C)C MCULE-3941198962 [0,2,0,0,0,0|1,0,0]=3 3107 B9R0.23 COC(=O)C(N)CN(C)C MCULE-4688594748 [0,2,0,0,0,0|1,0,0]=3 3108 B9R0.23 COC(=O)C(O)CC(C)C MCULE-6254974085 [0,2,0,0,0,0|0,0,0]=2 3109 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [0,2,0,0,0,0|1,0,1]=4 3110 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [0,2,0,0,0,0|1,0,1]=4 3111 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [0,2,0,0,0,0|1,0,1]=4 3112 B9R0.23 COC(=O)[C@@H](N)CC(C)C MCULE-1309132346 [0,2,0,0,0,0|0,0,0]=2 3113 B9R0.23 COC(=O)[C@@H](N)CC(C)C MCULE-6938469474 [0,2,0,0,0,0|0,0,0]=2 3114 B9R0.23 COC(=O)[C@@H](N)CC(C)C MCULE-7583568111 [0,2,0,0,0,0|0,0,0]=2 3115 B9R0.23 COC(=O)[C@@H](N)CC(C)C MCULE-7793954010 [0,2,0,0,0,0|0,0,0]=2 3116 B9R0.23 COC(=O)[C@@H](N)CC(F)F MCULE-3708128404 [0,2,0,0,0,0|2,0,0]=4 3117 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [0,2,0,0,0,0|1,0,1]=4 3118 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [0,2,0,0,0,0|1,0,1]=4 3119 B9R0.23 COC(=O)[C@H](C)CC(C)C MCULE-7968770763 [0,2,0,0,0,0|0,0,0]=2 3120 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [0,2,0,0,0,0|1,0,1]=4 3121 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [0,2,0,0,0,0|1,0,1]=4 3122 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [0,2,0,0,0,0|1,0,1]=4 3123 B9R0.23 COC(=O)[C@H](N)CC(C)C MCULE-2152247835 [0,2,0,0,0,0|0,0,0]=2 3124 B9R0.23 COC(=O)[C@H](N)CC(C)C MCULE-2779062182 [0,2,0,0,0,0|0,0,0]=2 3125 B9R0.23 COC(=O)[C@H](N)CC(C)C MCULE-7100635788 [0,2,0,0,0,0|0,0,0]=2 3126 B9R0.23 COC(=O)[C@H](N)CC(C)C MCULE-8729140960 [0,2,0,0,0,0|0,0,0]=2 3127 B9R0.23 COC(=O)[C@H](N)CC(F)F MCULE-9898046452 [0,2,0,0,0,0|2,0,0]=4 3128 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [0,2,0,0,0,0|1,0,1]=4 3129 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [0,2,0,0,0,0|1,0,1]=4 3130 B9R0.23 COC(=O)[C@H](O)CC(C)C MCULE-1436998757 [0,2,0,0,0,0|0,0,0]=2 3131 B9R0.23 COC(=O)[C@H](O)CC(C)C MCULE-7030340707 [0,2,0,0,0,0|0,0,0]=2 3132 B9R0.23 O=C(O)CC(Br)C(=O)CBr MCULE-5319460867 [0,2,0,0,0,0|1,0,1]=4 3133 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [0,2,0,0,0,0|1,0,0]=3 3134 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [0,2,0,0,0,0|1,0,0]=3 3135 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [0,2,0,0,0,0|1,0,1]=4 3136 B9R0.24 CCC(=O)CCC(=O)OC MCULE-9090609782 [0,2,0,0,0,0|1,0,1]=4 3137 B9R0.24 CCC(C)C#CC(=O)OC MCULE-5356018366 [0,2,0,0,0,0|0,0,2]=4 3138 B9R0.24 CCC(C)CCC(C)CO MCULE-2874782306 [0,2,0,0,0,0|1,0,1]=4 3139 B9R0.24 CCC(C)NCC(=O)OC MCULE-5997453349 [0,2,0,0,0,0|1,0,0]=3 3140 B9R0.24 CCC(C)SCC(=O)OC MCULE-7927875176 [0,2,0,0,0,0|1,0,0]=3 3141 B9R0.24 CCC(N)CCC(=O)OC MCULE-8096200173 [0,2,0,0,0,0|1,0,0]=3 3142 B9R0.24 CCC(N)CCC(=O)OC MCULE-9735533305 [0,2,0,0,0,0|1,0,0]=3 3143 B9R0.24 CCC(O)CCC(=O)NN MCULE-1166870258 [0,2,0,0,0,0|2,0,0]=4 3144 B9R0.24 COC(=O)CCC(=O)CBr MCULE-7044639446 [0,2,0,0,0,0|1,0,1]=4 3145 B9R0.24 COC(=O)CCC(=O)CCl MCULE-4430497907 [0,2,0,0,0,0|1,0,1]=4 3146 B9R0.24 COC(=O)CCC(=O)CN MCULE-7356254100 [0,2,0,0,0,0|1,0,1]=4 3147 B9R0.24 COC(=O)CCC(=O)CN MCULE-8571939531 [0,2,0,0,0,0|1,0,1]=4 3148 B9R0.24 COC(=O)CCC(=O)OC MCULE-1133524094 [0,2,0,0,0,0|1,0,1]=4 3149 B9R0.24 COC(=O)CCS(=O)OC MCULE-1471943569 [0,2,0,0,0,0|2,0,0]=4 3150 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [0,2,0,0,0,0|1,0,1]=4 3151 B9R0.42 CC(C)C(C)NC(=O)CCl MCULE-7006685091 [0,2,0,0,0,0|2,0,0]=4 3152 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,2,0,0,0,0|0,0,0]=2 3153 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [0,2,0,0,0,0|1,0,1]=4 3154 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [0,2,0,0,0,0|1,0,1]=4 3155 B9R0.42 CCC(=O)OC(Cl)C(C)C MCULE-7015649318 [0,2,0,0,0,0|2,0,0]=4 3156 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [0,2,0,0,0,0|0,0,0]=2 3157 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,2,0,0,0,0|0,0,0]=2 3158 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,2,0,0,0,0|0,0,0]=2 3159 B9R0.42 CCC(C)NC(=O)C(=O)O MCULE-6488437367 [0,2,0,0,0,0|1,0,1]=4 3160 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-6094320295 [0,2,0,0,0,0|1,0,0]=3 3161 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-8043640135 [0,2,0,0,0,0|1,0,0]=3 3162 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [0,2,0,0,0,0|1,0,1]=4 3163 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [0,2,0,0,0,0|1,0,1]=4 3164 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [0,2,0,0,0,0|1,0,1]=4 3165 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [0,2,0,0,0,0|1,0,1]=4 3166 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [0,2,0,0,0,0|1,0,1]=4 3167 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [0,2,0,0,0,0|1,0,1]=4 3168 B9R0.42 COC(=O)C=C(N)C(C)C MCULE-5314685547 [0,2,0,0,0,0|0,0,2]=4 3169 B9R0.42 COC(=O)CC(=O)C(C)Br MCULE-9538936755 [0,2,0,0,0,0|1,0,1]=4 3170 B9R0.42 COC(=O)CC(=O)C(C)C MCULE-6584323849 [0,2,0,0,0,0|0,0,1]=3 3171 B9R0.42 COC(=O)CC(=O)C(C)F MCULE-3137219956 [0,2,0,0,0,0|1,0,1]=4 3172 B9R0.42 COC(=O)CC(Br)C(=O)C MCULE-7344095898 [0,2,0,0,0,0|1,0,1]=4 3173 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [0,2,0,0,0,0|1,0,1]=4 3174 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [0,2,0,0,0,0|1,0,1]=4 3175 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [0,2,0,0,0,0|1,0,1]=4 3176 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [0,2,0,0,0,0|1,0,1]=4 3177 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [0,2,0,0,0,0|1,0,1]=4 3178 B9R0.42 COC(=O)CC(N)C(C)C MCULE-4687021873 [0,2,0,0,0,0|0,0,0]=2 3179 B9R0.42 COC(=O)CC(N)C(C)C MCULE-5881192435 [0,2,0,0,0,0|0,0,0]=2 3180 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [0,2,0,0,0,0|1,0,1]=4 3181 B9R0.42 COC(=O)CC(O)C(C)C MCULE-7794394603 [0,2,0,0,0,0|0,0,0]=2 3182 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [0,2,0,0,0,0|1,0,1]=4 3183 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [0,2,0,0,0,0|1,0,1]=4 3184 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [0,2,0,0,0,0|1,0,1]=4 3185 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [0,2,0,0,0,0|1,0,1]=4 3186 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [0,2,0,0,0,0|1,0,1]=4 3187 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [0,2,0,0,0,0|1,0,1]=4 3188 B9R0.42 COC(=O)C[C@@H](N)C(C)C MCULE-1882017857 [0,2,0,0,0,0|0,0,0]=2 3189 B9R0.42 COC(=O)C[C@@H](N)C(C)C MCULE-6118582349 [0,2,0,0,0,0|0,0,0]=2 3190 B9R0.42 COC(=O)C[C@@H](N)C(C)C MCULE-8893364344 [0,2,0,0,0,0|0,0,0]=2 3191 B9R0.42 COC(=O)C[C@@H](N)C(C)C MCULE-8898462968 [0,2,0,0,0,0|0,0,0]=2 3192 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [0,2,0,0,0,0|1,0,1]=4 3193 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [0,2,0,0,0,0|1,0,1]=4 3194 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [0,2,0,0,0,0|1,0,1]=4 3195 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [0,2,0,0,0,0|1,0,1]=4 3196 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [0,2,0,0,0,0|1,0,1]=4 3197 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [0,2,0,0,0,0|1,0,1]=4 3198 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [0,2,0,0,0,0|1,0,1]=4 3199 B9R0.42 COC(=O)C[C@H](N)C(C)C MCULE-1217251393 [0,2,0,0,0,0|0,0,0]=2 3200 B9R0.42 COC(=O)C[C@H](N)C(C)C MCULE-6304676369 [0,2,0,0,0,0|0,0,0]=2 3201 B9R0.42 COC(=O)C[C@H](N)C(C)C MCULE-6792292051 [0,2,0,0,0,0|0,0,0]=2 3202 B9R0.42 COC(=O)C[C@H](N)C(C)C MCULE-7632733566 [0,2,0,0,0,0|0,0,0]=2 3203 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [0,2,0,0,0,0|1,0,1]=4 3204 B9R0.42 C[C@@H](O)[C@@H](O)C[C@H](O)C=O MCULE-5279849864 [0,2,0,0,0,0|1,0,1]=4 3205 B9R0.42 C[C@@H](O)[C@H](O)C[C@H](O)C=O MCULE-8179219296 [0,2,0,0,0,0|1,0,1]=4 3206 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,2,0,0,0,0|1,0,1]=4 3207 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,2,0,0,0,0|1,0,1]=4 3208 B9R0.43 C=C(C)CCC(CC)CC MCULE-8102897212 [0,2,0,0,0,0|2,0,0]=4 3209 B9R0.43 CC(=O)SCC(CN)CN MCULE-4601063498 [0,2,0,0,0,0|2,0,0]=4 3210 B9R0.43 CC(=O)SCC(CN)CN MCULE-7349435143 [0,2,0,0,0,0|2,0,0]=4 3211 B9R0.43 CCC(CC)CCC(=O)O MCULE-3619246107 [0,2,0,0,0,0|0,0,0]=2 3212 B9R0.43 CCC(CC)CCC(C)O MCULE-8617358020 [0,2,0,0,0,0|1,0,1]=4 3213 B9R0.43 CCC(CC)COC(=O)C MCULE-4514204921 [0,2,0,0,0,0|2,0,0]=4 3214 B9R0.43 CCC(CC)COC(=O)Cl MCULE-6063084653 [0,2,0,0,0,0|2,0,0]=4 3215 B9R0.43 CCC(CC)OCC(=O)O MCULE-1363431600 [0,2,0,0,0,0|1,0,0]=3 3216 B9R0.43 CCC(CO)CCC(=O)C MCULE-7352596779 [0,2,0,0,0,0|1,0,0]=3 3217 B9R0.43 CCC(CO)CCC(C)O MCULE-3799427279 [0,2,0,0,0,0|1,0,1]=4 3218 B9R0.43 CCC(COC(=O)C)OC MCULE-7626279147 [0,2,0,0,0,0|2,0,0]=4 3219 B9R0.43 CCN(CC)CCC(=O)C MCULE-9384286876 [0,2,0,0,0,0|2,0,0]=4 3220 B9R0.43 CCN(CC)CCC(=O)N MCULE-3761363591 [0,2,0,0,0,0|2,0,0]=4 3221 B9R0.43 CCN(CC)CCC(=O)O MCULE-3198217857 [0,2,0,0,0,0|1,0,0]=3 3222 B9R0.43 CCN(CC)CCC(=O)O MCULE-7749215074 [0,2,0,0,0,0|1,0,0]=3 3223 B9R0.43 COC(/C=C/C(=O)O)OC MCULE-9922370689 [0,2,0,0,0,0|0,0,2]=4 3224 B9R0.43 COC(CCN(=O)=O)OC MCULE-1908071820 [0,2,0,0,0,0|1,0,1]=4 3225 B9R0.43 COC(CNC(=O)C)OC MCULE-6424703856 [0,2,0,0,0,0|2,0,0]=4 3226 B9R0.43 COC(CNC(=O)N)OC MCULE-9784464974 [0,2,0,0,0,0|2,0,0]=4 3227 B9R0.48 C/C=C/C(=O)OCC(C)C MCULE-6211668597 [0,2,0,0,0,0|2,0,0]=4 3228 B9R0.48 C=C(C)CCC(=O)OCC MCULE-1518145690 [0,2,0,0,0,0|0,0,2]=4 3229 B9R0.48 C=C(C)CCC(C)CCC MCULE-7509184096 [0,2,0,0,0,0|2,0,0]=4 3230 B9R0.48 CC(C)CNC(=O)CC#N MCULE-8577840237 [0,2,0,0,0,0|2,0,0]=4 3231 B9R0.48 CC(C)CNC(=O)CCN MCULE-7083686964 [0,2,0,0,0,0|2,0,0]=4 3232 B9R0.48 CC(C)CNC(=O)CCN MCULE-7684008911 [0,2,0,0,0,0|2,0,0]=4 3233 B9R0.48 CC(C)COC(=O)CC#N MCULE-5823127076 [0,2,0,0,0,0|2,0,0]=4 3234 B9R0.48 CC=CC(=O)OCC(C)C MCULE-2893126753 [0,2,0,0,0,0|2,0,0]=4 3235 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [0,2,0,0,0,0|1,0,1]=4 3236 B9R0.48 CCCC(=O)OCC(C)C MCULE-5762939087 [0,2,0,0,0,0|2,0,0]=4 3237 B9R0.48 CCCC(C)CCC(=O)C MCULE-1446034135 [0,2,0,0,0,0|1,0,0]=3 3238 B9R0.48 CCCC(C)CCC(=O)O MCULE-2307170636 [0,2,0,0,0,0|0,0,0]=2 3239 B9R0.48 CCCC(C)COC(=O)C MCULE-3322580373 [0,2,0,0,0,0|2,0,0]=4 3240 B9R0.48 CCCC(C)COC(=O)Cl MCULE-1504594923 [0,2,0,0,0,0|2,0,0]=4 3241 B9R0.48 CCCC(Cl)CCC(=O)Cl MCULE-1887322362 [0,2,0,0,0,0|2,0,0]=4 3242 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [0,2,0,0,0,0|1,0,0]=3 3243 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [0,2,0,0,0,0|1,0,0]=3 3244 B9R0.48 CCCN(C)CCC(=O)O MCULE-4436694860 [0,2,0,0,0,0|1,0,0]=3 3245 B9R0.48 CCCN(C)CCC(=O)O MCULE-5636730093 [0,2,0,0,0,0|1,0,0]=3 3246 B9R0.48 CCNC(=O)CCC(=O)O MCULE-1979773964 [0,2,0,0,0,0|1,0,1]=4 3247 B9R0.48 CCOC(=O)/C=C/C(C)C MCULE-3748857850 [0,2,0,0,0,0|0,0,2]=4 3248 B9R0.48 CCOC(=O)C=CC(C)C MCULE-5475079081 [0,2,0,0,0,0|0,0,2]=4 3249 B9R0.48 CCOC(=O)CCC(=O)C MCULE-1970388037 [0,2,0,0,0,0|1,0,1]=4 3250 B9R0.48 CCOC(=O)CCC(=O)O MCULE-4329005000 [0,2,0,0,0,0|1,0,1]=4 3251 B9R0.48 CCOC(=O)CCC(C)Br MCULE-4073335261 [0,2,0,0,0,0|1,0,0]=3 3252 B9R0.48 CCOC(=O)CCC(C)C MCULE-1386486394 [0,2,0,0,0,0|0,0,0]=2 3253 B9R0.48 CCOC(=O)CCC(C)Cl MCULE-8909380760 [0,2,0,0,0,0|1,0,0]=3 3254 B9R0.48 CCOC(=O)CCC(C)N MCULE-5773909999 [0,2,0,0,0,0|1,0,0]=3 3255 B9R0.48 CCOC(=O)CCC(C)N MCULE-5870649436 [0,2,0,0,0,0|1,0,0]=3 3256 B9R0.48 CCOC(=O)CCC(F)F MCULE-9637395604 [0,2,0,0,0,0|2,0,0]=4 3257 B9R0.48 CCOC(=O)CCN(C)C MCULE-6461752502 [0,2,0,0,0,0|1,0,0]=3 3258 B9R0.48 CCOC(=O)CNC(C)C MCULE-2512915227 [0,2,0,0,0,0|1,0,0]=3 3259 B9R0.48 CCOC(=O)CNC(C)C MCULE-6227741071 [0,2,0,0,0,0|1,0,0]=3 3260 B9R0.48 CCOC(=O)COC(C)C MCULE-9941341849 [0,2,0,0,0,0|1,0,0]=3 3261 B9R0.48 CCOC(=O)NCC(C)O MCULE-7884037300 [0,2,0,0,0,0|2,0,0]=4 3262 B9R0.48 CCOC(=O)OCC(C)C MCULE-5874029260 [0,2,0,0,0,0|1,0,0]=3 3263 B9R0.48 CCOC(C)COC(=O)C MCULE-7641307016 [0,2,0,0,0,0|2,0,0]=4 3264 B9R0.48 CN(CCO)CCC(=O)O MCULE-1755715725 [0,2,0,0,0,0|1,0,0]=3 3265 B9R0.48 CNCC(=O)NCC(C)C MCULE-1773053806 [0,2,0,0,0,0|2,0,0]=4 3266 B9R0.48 CNCC(=O)NCC(C)C MCULE-9008491493 [0,2,0,0,0,0|2,0,0]=4 3267 B9R0.48 COCC(C)NCC(=O)O MCULE-1388451631 [0,2,0,0,0,0|1,0,0]=3 3268 B9R0.48 COCC(C)NCC(=O)O MCULE-8506123448 [0,2,0,0,0,0|1,0,0]=3 3269 B9R0.48 N#CCC(=O)CCC(=O)O MCULE-9068617053 [0,2,0,0,0,0|1,0,1]=4 3270 B9R0.64 C#CC(C)(C)NCC(=O)C MCULE-1254274402 [0,2,0,0,0,0|2,0,0]=4 3271 B9R0.64 C#CC(C)(C)NCC(=O)C MCULE-8864439137 [0,2,0,0,0,0|2,0,0]=4 3272 B9R0.64 C#CC(C)(O)CCC(C)C MCULE-4122988785 [0,2,0,0,0,0|1,0,1]=4 3273 B9R0.64 CC(C)(C#N)CCC(=O)O MCULE-9778482265 [0,2,0,0,0,0|0,0,0]=2 3274 B9R0.64 CC(C)(CO)COC(=O)N MCULE-1642548295 [0,2,0,0,0,0|2,0,0]=4 3275 B9R0.64 CC(C)CCC(C)(C)C=O MCULE-5695677996 [0,2,0,0,0,0|1,0,1]=4 3276 B9R0.64 CC(C)CCC(C)(O)CN MCULE-2111563354 [0,2,0,0,0,0|1,0,1]=4 3277 B9R0.64 CCC(C)(C)OCC(=O)O MCULE-6870018986 [0,2,0,0,0,0|1,0,0]=3 3278 B9R0.64 CCC(C)(O)CCC(C)C MCULE-8172479496 [0,2,0,0,0,0|1,0,1]=4 3279 B9R0.64 CCS(=O)(=O)CCC(=O)O MCULE-6074163165 [0,2,0,0,0,0|2,0,0]=4 3280 B9R0.64 CNS(=O)(=O)CCC(=O)O MCULE-4872511761 [0,2,0,0,0,0|2,0,0]=4 3281 B9R0.64 NCP(=O)(O)CCC(=O)O MCULE-8895842344 [0,2,0,0,0,0|2,0,0]=4 3282 B9R0.10 C/C(=C\C(=O)O)/C(C)(C)C MCULE-2172546258 [0,2,0,0,0,0|0,0,2]=4 3283 B9R0.10 CC(=CC(=O)O)C(C)(C)C MCULE-6247723647 [0,2,0,0,0,0|0,0,2]=4 3284 B9R0.10 CC(=O)CC(=O)C(C)(C)C MCULE-4002232840 [0,2,0,0,0,0|1,0,1]=4 3285 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)C MCULE-1802847315 [0,2,0,0,0,0|2,0,0]=4 3286 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C MCULE-6917267025 [0,2,0,0,0,0|2,0,0]=4 3287 B9R0.10 CC(C)(C)C(N)CC(=O)O MCULE-6654125396 [0,2,0,0,0,0|0,0,0]=2 3288 B9R0.10 CC(C)(C)C(N)CC(=O)O MCULE-6842051841 [0,2,0,0,0,0|0,0,0]=2 3289 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O MCULE-5408253054 [0,2,0,0,0,0|0,0,0]=2 3290 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O MCULE-6704022659 [0,2,0,0,0,0|0,0,0]=2 3291 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O MCULE-4579899518 [0,2,0,0,0,0|0,0,0]=2 3292 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O MCULE-4645205176 [0,2,0,0,0,0|0,0,0]=2 3293 B9R0.10 CC(C)CC(C)S(=O)(=O)Cl MCULE-5978083155 [0,2,0,0,0,0|1,0,1]=4 3294 B9R0.10 CC(C)CC(C)S(=O)(=O)N MCULE-2233523284 [0,2,0,0,0,0|1,0,1]=4 3295 B9R0.10 CC(C)CC(N)S(=O)(=O)O MCULE-1533349603 [0,2,0,0,0,0|1,0,0]=3 3296 B9R0.10 CC(C)C[C@@H](N)P(=O)(O)O MCULE-4058698477 [0,2,0,0,0,0|1,0,0]=3 3297 B9R0.10 CC(CC(=O)O)C(C)(C)C MCULE-4114895909 [0,2,0,0,0,0|0,0,0]=2 3298 B9R0.10 CC(CC(=O)O)C(C)(C)N MCULE-4308904314 [0,2,0,0,0,0|0,0,0]=2 3299 B9R0.10 CC(CC(=O)O)C(C)(C)N MCULE-6683372980 [0,2,0,0,0,0|0,0,0]=2 3300 B9R0.10 CC(CC(=O)O)C(C)(C)O MCULE-5216715591 [0,2,0,0,0,0|0,0,0]=2 3301 B9R0.10 CC(CC(=O)O)C(F)(F)F MCULE-3242469107 [0,2,0,0,0,0|2,0,0]=4 3302 B9R0.10 CN(C)CC(O)S(=O)(=O)O MCULE-6768302164 [0,2,0,0,0,0|2,0,0]=4 3303 B9R0.10 NC(CC(=O)O)C(F)(F)F MCULE-1895408699 [0,2,0,0,0,0|2,0,0]=4 3304 B9R0.10 NC(CC(=O)O)C(F)(F)F MCULE-8626766835 [0,2,0,0,0,0|2,0,0]=4 3305 B9R0.10 NC(CC(=O)O)C(F)(F)F MCULE-9145718434 [0,2,0,0,0,0|2,0,0]=4 3306 B9R0.10 N[C@@H](CC(=O)O)C(F)(F)F MCULE-7887087837 [0,2,0,0,0,0|2,0,0]=4 3307 B9R0.10 N[C@@H](CC(=O)O)C(F)(F)F MCULE-8616386693 [0,2,0,0,0,0|2,0,0]=4 3308 B9R0.10 N[C@H](CC(=O)O)C(F)(F)F MCULE-3328223896 [0,2,0,0,0,0|2,0,0]=4 3309 B9R0.10 N[C@H](CC(=O)O)C(F)(F)F MCULE-8617897331 [0,2,0,0,0,0|2,0,0]=4 3310 B9R0.10 O=C(O)CC(O)C(Cl)(Cl)Cl MCULE-3017473082 [0,2,0,0,0,0|2,0,0]=4 3311 B9R0.10 O=C(O)CC(O)C(F)(F)F MCULE-2248514305 [0,2,0,0,0,0|2,0,0]=4 3312 B9R0.10 O=C(O)CC(O)C(F)(F)F MCULE-8674287224 [0,2,0,0,0,0|2,0,0]=4 3313 B9R0.10 O=C(O)C[C@@H](O)C(F)(F)F MCULE-6927162695 [0,2,0,0,0,0|2,0,0]=4 3314 B9R0.10 O=C(O)C[C@H](O)C(F)(F)F MCULE-9533775652 [0,2,0,0,0,0|2,0,0]=4 3315 B9R0.10 [C@@H](N)(CC(=O)O)C(C)(C)C MCULE-5327849230 [0,2,0,0,0,0|0,0,0]=2 3316 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-2432744381 [0,2,0,0,0,0|0,0,2]=4 3317 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-7800105371 [0,2,0,0,0,0|0,0,2]=4 3318 B9R0.11 C=C(C)CC(C)(C)C(=O)O MCULE-2137357994 [0,2,0,0,0,0|0,0,2]=4 3319 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [0,2,0,0,0,0|1,0,1]=4 3320 B9R0.11 CC(=O)C(C)(O)CC(C)C MCULE-5996885507 [0,2,0,0,0,0|1,0,0]=3 3321 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [0,2,0,0,0,0|1,0,1]=4 3322 B9R0.11 CC(=O)NC(C)(C)C(C)C MCULE-5595520176 [0,2,0,0,0,0|2,0,0]=4 3323 B9R0.11 CC(C)(CC(=O)O)C(F)F MCULE-3977275616 [0,2,0,0,0,0|2,0,0]=4 3324 B9R0.11 CC(C)(CC(F)F)C(=O)O MCULE-9712340050 [0,2,0,0,0,0|2,0,0]=4 3325 B9R0.11 CC(C)CC(C)(C)C(=O)O MCULE-1527618443 [0,2,0,0,0,0|0,0,0]=2 3326 B9R0.11 CC(C)CC(C)(F)C(=O)O MCULE-9239880064 [0,2,0,0,0,0|0,0,0]=2 3327 B9R0.11 CC(C)CC(C)(N)C(=O)N MCULE-8569516764 [0,2,0,0,0,0|1,0,0]=3 3328 B9R0.11 CC(C)CC(C)(N)C(=O)O MCULE-4257632982 [0,2,0,0,0,0|0,0,0]=2 3329 B9R0.11 CC(C)CC(C)(N)C(=O)O MCULE-6991659149 [0,2,0,0,0,0|0,0,0]=2 3330 B9R0.11 CC(C)CC(C)(O)C(=O)O MCULE-6600862818 [0,2,0,0,0,0|0,0,0]=2 3331 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O MCULE-4712290479 [0,2,0,0,0,0|0,0,0]=2 3332 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O MCULE-9085844136 [0,2,0,0,0,0|0,0,0]=2 3333 B9R0.11 CC(C)C[C@](C)(N)C(=O)O MCULE-6073129801 [0,2,0,0,0,0|0,0,0]=2 3334 B9R0.11 CC(C)C[C@](C)(N)C(=O)O MCULE-7162987343 [0,2,0,0,0,0|0,0,0]=2 3335 B9R0.11 CC(C)OC(C)(C)C(=O)O MCULE-3543109943 [0,2,0,0,0,0|1,0,0]=3 3336 B9R0.11 CC(C)S(=O)(=O)CC(=O)O MCULE-6390715034 [0,2,0,0,0,0|1,0,0]=3 3337 B9R0.11 CN(C)CC(C)(C)C(=O)O MCULE-1142687176 [0,2,0,0,0,0|1,0,0]=3 3338 B9R0.11 CN(C)CC(C)(C)C(=O)O MCULE-8506830964 [0,2,0,0,0,0|1,0,0]=3 3339 B9R0.11 CN(C)CC(C)(N)C(=O)O MCULE-4857565953 [0,2,0,0,0,0|1,0,0]=3 3340 B9R0.11 CN(C)CC(F)(F)C(=O)O MCULE-6957780548 [0,2,0,0,0,0|1,0,0]=3 3341 B9R0.11 CN(C)S(=O)(=O)CC(=O)O MCULE-4228007048 [0,2,0,0,0,0|2,0,0]=4 3342 B9R0.11 O=C(O)CC(F)(F)C(F)F MCULE-4330223528 [0,2,0,0,0,0|2,0,0]=4 3343 B9R0.39 CC(C)/C=C(\C#N)/C(=O)O MCULE-4512744992 [0,2,0,0,0,0|0,0,2]=4 3344 B9R0.39 CC(C)C=C(C#N)C(=O)O MCULE-6303839600 [0,2,0,0,0,0|0,0,2]=4 3345 B9R0.39 CC(C)CC(C#N)C(=O)O MCULE-2645522679 [0,2,0,0,0,0|0,0,0]=2 3346 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-3679366313 [0,2,0,0,0,0|0,0,0]=2 3347 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-4357118038 [0,2,0,0,0,0|0,0,0]=2 3348 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-5464779902 [0,2,0,0,0,0|0,0,0]=2 3349 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-1199418849 [0,2,0,0,0,0|0,0,0]=2 3350 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-2007636867 [0,2,0,0,0,0|0,0,0]=2 3351 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-3151357434 [0,2,0,0,0,0|0,0,0]=2 3352 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-6826376648 [0,2,0,0,0,0|0,0,0]=2 3353 B9R0.39 CC(C)C[C@@H](CO)C(=O)O MCULE-8614733501 [0,2,0,0,0,0|0,0,0]=2 3354 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-1897946062 [0,2,0,0,0,0|0,0,0]=2 3355 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5204739284 [0,2,0,0,0,0|0,0,0]=2 3356 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5587093761 [0,2,0,0,0,0|0,0,0]=2 3357 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-6247275234 [0,2,0,0,0,0|0,0,0]=2 3358 B9R0.39 CC(C)C[C@H](CO)C(=O)O MCULE-3078607450 [0,2,0,0,0,0|0,0,0]=2 3359 B9R0.39 CCC(CC(=O)O)C(C)C MCULE-3121416106 [0,2,0,0,0,0|0,0,0]=2 3360 B9R0.39 CCC(CC(C)C)C(=O)O MCULE-5215518236 [0,2,0,0,0,0|0,0,0]=2 3361 B9R0.39 CCC(CC(F)F)C(=O)O MCULE-2440123997 [0,2,0,0,0,0|2,0,0]=4 3362 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7235932783 [0,2,0,0,0,0|1,0,0]=3 3363 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7934342287 [0,2,0,0,0,0|1,0,0]=3 3364 B9R0.39 CC[C@H](CC(=O)O)C(C)C MCULE-7554516678 [0,2,0,0,0,0|0,0,0]=2 3365 B9R0.39 CNC(CC(C)C)C(=O)O MCULE-4940999271 [0,2,0,0,0,0|0,0,0]=2 3366 B9R0.39 CNC(CC(C)C)C(=O)O MCULE-7266045564 [0,2,0,0,0,0|0,0,0]=2 3367 B9R0.39 CN[C@@H](CC(C)C)C(=O)N MCULE-7907533997 [0,2,0,0,0,0|1,0,0]=3 3368 B9R0.39 CN[C@@H](CC(C)C)C(=O)N MCULE-8591020499 [0,2,0,0,0,0|1,0,0]=3 3369 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-2758691344 [0,2,0,0,0,0|0,0,0]=2 3370 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-3349649810 [0,2,0,0,0,0|0,0,0]=2 3371 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-4487326533 [0,2,0,0,0,0|0,0,0]=2 3372 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-7740057854 [0,2,0,0,0,0|0,0,0]=2 3373 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2279011654 [0,2,0,0,0,0|0,0,0]=2 3374 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2290136385 [0,2,0,0,0,0|0,0,0]=2 3375 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2552934491 [0,2,0,0,0,0|0,0,0]=2 3376 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-8319051174 [0,2,0,0,0,0|0,0,0]=2 3377 B9R0.39 COC(CC(C)C)C(=O)O MCULE-4497994493 [0,2,0,0,0,0|0,0,0]=2 3378 B9R0.39 NCC(CC(=O)O)C(F)F MCULE-2405781497 [0,2,0,0,0,0|2,0,0]=4 3379 B9R0.39 NCC(CC(=O)O)C(F)F MCULE-7311956768 [0,2,0,0,0,0|2,0,0]=4 3380 B9R0.57 CC(=O)C(C)NC(C)(C)C MCULE-1877447843 [0,2,0,0,0,0|2,0,0]=4 3381 B9R0.57 CC(=O)C(C)NC(C)(C)C MCULE-1915708679 [0,2,0,0,0,0|2,0,0]=4 3382 B9R0.57 CC(C)(C)CC(=O)C(=O)O MCULE-5877446185 [0,2,0,0,0,0|0,0,1]=3 3383 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-1846409149 [0,2,0,0,0,0|0,0,0]=2 3384 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-6496394437 [0,2,0,0,0,0|0,0,0]=2 3385 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-6507277407 [0,2,0,0,0,0|0,0,0]=2 3386 B9R0.57 CC(C)(C)CC(O)C(=O)O MCULE-2158861127 [0,2,0,0,0,0|0,0,0]=2 3387 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O MCULE-6215032420 [0,2,0,0,0,0|0,0,0]=2 3388 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O MCULE-8005575699 [0,2,0,0,0,0|0,0,0]=2 3389 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O MCULE-1515081556 [0,2,0,0,0,0|0,0,0]=2 3390 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O MCULE-3358775275 [0,2,0,0,0,0|0,0,0]=2 3391 B9R0.57 CC(C)(C)NC(=O)C(=O)O MCULE-6289295285 [0,2,0,0,0,0|1,0,1]=4 3392 B9R0.57 CC(C)(C)OC(=O)C(=O)O MCULE-9176016955 [0,2,0,0,0,0|1,0,1]=4 3393 B9R0.57 CC(C)(F)CC(N)C(=O)O MCULE-2499553394 [0,2,0,0,0,0|0,0,0]=2 3394 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O MCULE-2670827731 [0,2,0,0,0,0|0,0,0]=2 3395 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O MCULE-7946625431 [0,2,0,0,0,0|0,0,0]=2 3396 B9R0.57 CC(C)(O)CC(N)C(=O)[O-] MCULE-2378112153 [0,2,0,0,0,0|0,0,1]=3 3397 B9R0.57 CC(C)(O)CC(N)C(=O)[O-] MCULE-2969041989 [0,2,0,0,0,0|0,0,1]=3 3398 B9R0.57 CC(C)C(C)CS(=O)(=O)Cl MCULE-4353398078 [0,2,0,0,0,0|1,0,1]=4 3399 B9R0.57 CC(CC(C)(C)C)C(=O)O MCULE-1654401215 [0,2,0,0,0,0|0,0,0]=2 3400 B9R0.57 CC(CC(C)(C)N)C(=O)O MCULE-2497907613 [0,2,0,0,0,0|0,0,0]=2 3401 B9R0.57 CC(CC(C)(C)N)C(=O)O MCULE-7900482158 [0,2,0,0,0,0|0,0,0]=2 3402 B9R0.57 CC(CC(F)(F)F)C(=O)O MCULE-6748667600 [0,2,0,0,0,0|2,0,0]=4 3403 B9R0.57 CC(CS(=O)(=O)C)C(=O)O MCULE-2992876868 [0,2,0,0,0,0|2,0,0]=4 3404 B9R0.57 CC(NC(C)(C)C)C(=O)O MCULE-8104914924 [0,2,0,0,0,0|1,0,0]=3 3405 B9R0.57 CC(NC(C)(C)C)C(=O)O MCULE-8686537841 [0,2,0,0,0,0|1,0,0]=3 3406 B9R0.57 CC(OC(C)(C)C)C(=O)O MCULE-8310959538 [0,2,0,0,0,0|1,0,0]=3 3407 B9R0.57 CN(CC(C)(C)C)C(=O)Cl MCULE-8178126120 [0,2,0,0,0,0|2,0,0]=4 3408 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-1117561111 [0,2,0,0,0,0|2,0,0]=4 3409 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-3044564695 [0,2,0,0,0,0|2,0,0]=4 3410 B9R0.57 C[C@H](CC(F)(F)F)C(=O)O MCULE-8212277158 [0,2,0,0,0,0|2,0,0]=4 3411 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O MCULE-5057039244 [0,2,0,0,0,0|0,1,0]=3 3412 B9R0.57 NC(CC(F)(F)F)C(=O)O MCULE-4670432872 [0,2,0,0,0,0|2,0,0]=4 3413 B9R0.57 NC(CC(F)(F)F)C(=O)O MCULE-7906484739 [0,2,0,0,0,0|2,0,0]=4 3414 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-3474800558 [0,2,0,0,0,0|2,0,0]=4 3415 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-5230934404 [0,2,0,0,0,0|2,0,0]=4 3416 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-6065207677 [0,2,0,0,0,0|2,0,0]=4 3417 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-6989845390 [0,2,0,0,0,0|2,0,0]=4 3418 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-1211212478 [0,2,0,0,0,0|2,0,0]=4 3419 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-1864367361 [0,2,0,0,0,0|2,0,0]=4 3420 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-4616647635 [0,2,0,0,0,0|2,0,0]=4 3421 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-6212697927 [0,2,0,0,0,0|2,0,0]=4 3422 B9R0.57 O=C(O)C(Br)CC(F)(F)F MCULE-6413329978 [0,2,0,0,0,0|2,0,0]=4 3423 B9R0.57 O=C(O)C(F)CC(F)(F)F MCULE-5090835582 [0,2,0,0,0,0|2,0,0]=4 3424 B9R0.57 O=C(O)C(O)CC(F)(F)F MCULE-8723427671 [0,2,0,0,0,0|2,0,0]=4 3425 B9R0.79 CC(C)C(O)C(N)C(=O)O MCULE-8766263714 [0,2,0,0,0,0|0,0,0]=2 3426 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O MCULE-5332720895 [0,2,0,0,0,0|0,0,0]=2 3427 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)O MCULE-5667397461 [0,2,0,0,0,0|0,0,0]=2 3428 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O MCULE-2425417830 [0,2,0,0,0,0|0,0,0]=2 3429 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-5438285037 [0,2,0,0,0,0|0,0,0]=2 3430 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-6278820254 [0,2,0,0,0,0|0,0,0]=2 3431 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-7542741263 [0,2,0,0,0,0|0,0,0]=2 3432 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-8101644962 [0,2,0,0,0,0|0,0,0]=2 3433 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-6429723072 [0,2,0,0,0,0|0,0,0]=2 3434 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-8455636907 [0,2,0,0,0,0|0,0,0]=2 3435 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9657202987 [0,2,0,0,0,0|0,0,0]=2 3436 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9762128000 [0,2,0,0,0,0|0,0,0]=2 3437 B9R0.79 CC(O)C(C)C(N)C(=O)O MCULE-2897656809 [0,2,0,0,0,0|1,0,0]=3 3438 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-6535308910 [0,2,0,0,0,0|1,0,0]=3 3439 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-8450789997 [0,2,0,0,0,0|1,0,0]=3 3440 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-1376333194 [0,2,0,0,0,0|1,0,0]=3 3441 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-4005119004 [0,2,0,0,0,0|1,0,0]=3 3442 B9R0.79 [C@@H](N)(C(=O)O)[C@@H](C)C(C)O MCULE-7488780154 [0,2,0,0,0,0|1,0,0]=3 3443 B9R0.77 CC(C)(C)CCS(=O)(=O)Cl MCULE-4415577815 [0,2,0,0,0,0|1,0,1]=4 3444 B9R0.77 CC(C)(C)CCS(=O)(=O)F MCULE-7508048792 [0,2,0,0,0,0|1,0,1]=4 3445 B9R0.77 CC(C)(C)CCS(=O)(=O)N MCULE-2775755998 [0,2,0,0,0,0|1,0,1]=4 3446 B9R0.77 CC(C)(N)CCS(=O)(=O)C MCULE-2784714535 [0,2,0,0,0,0|1,0,1]=4 3447 B9R0.77 CC(C)(N)COS(=O)(=O)O MCULE-2386173980 [0,2,0,0,0,0|2,0,0]=4 3448 B9R0.77 CC(C)(O)CCC(C)(C)O MCULE-8506631534 [0,2,0,0,0,0|1,0,1]=4 3449 B7R1.2 C1(CCN(C1)C)O MCULE-5142099784 [1,0,0,1,0,0|1,0,1]=4 3450 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [1,0,0,1,0,0|2,0,0]=4 3451 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [1,0,0,1,0,0|2,0,0]=4 3452 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [1,0,0,1,0,0|2,0,0]=4 3453 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [1,0,0,1,0,0|2,0,0]=4 3454 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [1,0,0,1,0,0|0,0,2]=4 3455 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [1,0,0,1,0,0|0,0,2]=4 3456 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [1,0,0,1,0,0|0,0,2]=4 3457 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [1,0,0,1,0,0|0,0,2]=4 3458 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [1,0,0,1,0,0|2,0,0]=4 3459 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [1,0,0,1,0,0|0,0,2]=4 3460 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [1,0,0,1,0,0|1,0,0]=3 3461 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [1,0,0,1,0,0|1,0,0]=3 3462 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [1,0,0,1,0,0|2,0,0]=4 3463 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [1,0,0,1,0,0|2,0,0]=4 3464 B7R1.2 CC1CC(CN1)O MCULE-5630063862 [1,0,0,1,0,0|1,0,1]=4 3465 B7R1.2 CC1CC(CN1)O MCULE-7427731937 [1,0,0,1,0,0|1,0,1]=4 3466 B7R1.2 CC1CC(CO1)O MCULE-1304022283 [1,0,0,1,0,0|1,0,1]=4 3467 B7R1.2 CC1CCC(=N1)N MCULE-3470792627 [1,0,0,1,0,0|2,0,0]=4 3468 B7R1.2 CC1CCC(=N1)N MCULE-7952001291 [1,0,0,1,0,0|2,0,0]=4 3469 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [1,0,0,1,0,0|0,0,0]=2 3470 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [1,0,0,1,0,0|1,0,0]=3 3471 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [1,0,0,1,0,0|1,0,0]=3 3472 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [1,0,0,1,0,0|0,0,0]=2 3473 B7R1.2 CC1CCC(C1)Br MCULE-3834311364 [1,0,0,1,0,0|1,0,1]=4 3474 B7R1.2 CC1CCC(C1)Cl MCULE-7669391571 [1,0,0,1,0,0|1,0,1]=4 3475 B7R1.2 CC1CCC(C1)N MCULE-3681457592 [1,0,0,1,0,0|1,0,1]=4 3476 B7R1.2 CC1CCC(C1)N MCULE-8238390084 [1,0,0,1,0,0|1,0,1]=4 3477 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [1,0,0,1,0,0|0,0,1]=3 3478 B7R1.2 CC1CCC(O1)C MCULE-6766843462 [1,0,0,1,0,0|1,0,1]=4 3479 B7R1.2 CC1CN=C(O1)N MCULE-2936787754 [1,0,0,1,0,0|2,0,0]=4 3480 B7R1.2 CC1CN=C(O1)N MCULE-5542499755 [1,0,0,1,0,0|2,0,0]=4 3481 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [1,0,0,1,0,0|1,0,0]=3 3482 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [1,0,0,1,0,0|2,0,0]=4 3483 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [1,0,0,1,0,0|1,0,0]=3 3484 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [1,0,0,1,0,0|1,0,0]=3 3485 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [1,0,0,1,0,0|2,0,0]=4 3486 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [1,0,0,1,0,0|1,0,0]=3 3487 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [1,0,0,1,0,0|2,0,0]=4 3488 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [1,0,0,1,0,0|1,1,0]=4 3489 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [1,0,0,1,0,0|2,0,0]=4 3490 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [1,0,0,1,0,0|1,0,0]=3 3491 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [1,0,0,1,0,0|1,0,0]=3 3492 B7R1.2 CN1CCC(C1)O MCULE-7899934177 [1,0,0,1,0,0|1,0,1]=4 3493 B7R1.2 CN1CC[C@@H](C1)O MCULE-1236945758 [1,0,0,1,0,0|1,0,1]=4 3494 B7R1.2 CN1CC[C@@H](C1)O MCULE-4275527304 [1,0,0,1,0,0|1,0,1]=4 3495 B7R1.2 CN1CC[C@H](C1)O MCULE-6665002754 [1,0,0,1,0,0|1,0,1]=4 3496 B7R1.2 CN1CC[C@H](C1)O MCULE-8080661086 [1,0,0,1,0,0|1,0,1]=4 3497 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [1,0,0,1,0,0|1,0,0]=3 3498 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [1,0,0,1,0,0|1,0,0]=3 3499 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [1,0,0,1,0,0|1,0,0]=3 3500 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [1,0,0,1,0,0|1,0,0]=3 3501 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [1,0,0,1,0,0|0,0,0]=2 3502 B7R1.2 C[C@@H]1CC[C@@H](C1)N MCULE-9471729241 [1,0,0,1,0,0|1,0,1]=4 3503 B7R1.2 C[C@@H]1CC[C@H](C1)N MCULE-5368765184 [1,0,0,1,0,0|1,0,1]=4 3504 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [1,0,0,1,0,0|1,0,0]=3 3505 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [1,0,0,1,0,0|1,0,0]=3 3506 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [1,0,0,1,0,0|1,0,0]=3 3507 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [1,0,0,1,0,0|1,0,0]=3 3508 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [1,0,0,1,0,0|1,0,0]=3 3509 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [1,0,0,1,0,0|1,0,0]=3 3510 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [1,0,0,1,0,0|2,0,0]=4 3511 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [1,0,0,1,0,0|2,0,0]=4 3512 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [1,0,0,1,0,0|1,0,0]=3 3513 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [1,0,0,1,0,0|1,0,0]=3 3514 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-1211015225 [1,0,0,1,0,0|1,0,1]=4 3515 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8025231795 [1,0,0,1,0,0|1,0,1]=4 3516 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8074184383 [1,0,0,1,0,0|1,0,1]=4 3517 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8403784233 [1,0,0,1,0,0|1,0,1]=4 3518 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-4359200896 [1,0,0,1,0,0|1,0,1]=4 3519 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-5029850022 [1,0,0,1,0,0|1,0,1]=4 3520 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8880723450 [1,0,0,1,0,0|1,0,1]=4 3521 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8966000465 [1,0,0,1,0,0|1,0,1]=4 3522 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [1,0,0,1,0,0|1,0,0]=3 3523 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [1,0,0,1,0,0|1,0,0]=3 3524 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [1,0,0,1,0,0|1,0,0]=3 3525 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [1,0,0,1,0,0|1,0,0]=3 3526 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [1,0,0,1,0,0|0,0,0]=2 3527 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [1,0,0,1,0,0|1,0,0]=3 3528 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [1,0,0,1,0,0|1,0,0]=3 3529 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [1,0,0,1,0,0|0,0,0]=2 3530 B7R1.2 C[C@H]1CC[C@@H](C1)N MCULE-1080493056 [1,0,0,1,0,0|1,0,1]=4 3531 B7R1.2 C[C@H]1CC[C@H](C1)C MCULE-8059507758 [1,0,0,1,0,0|1,0,1]=4 3532 B7R1.2 C[C@H]1CC[C@H](C1)N MCULE-7070775136 [1,0,0,1,0,0|1,0,1]=4 3533 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [1,0,0,1,0,0|1,0,0]=3 3534 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [1,0,0,1,0,0|1,0,0]=3 3535 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [1,0,0,1,0,0|1,0,0]=3 3536 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [1,0,0,1,0,0|2,0,0]=4 3537 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [1,0,0,1,0,0|2,0,0]=4 3538 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [1,0,0,1,0,0|1,0,0]=3 3539 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [1,0,0,1,0,0|1,0,0]=3 3540 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-1346257695 [1,0,0,1,0,0|1,0,1]=4 3541 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-3035291598 [1,0,0,1,0,0|1,0,1]=4 3542 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-8611352921 [1,0,0,1,0,0|1,0,1]=4 3543 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-9413190353 [1,0,0,1,0,0|1,0,1]=4 3544 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-3188785695 [1,0,0,1,0,0|1,0,1]=4 3545 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-4518572489 [1,0,0,1,0,0|1,0,1]=4 3546 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-5322353871 [1,0,0,1,0,0|1,0,1]=4 3547 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-9693826142 [1,0,0,1,0,0|1,0,1]=4 3548 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [1,0,0,1,0,0|1,0,0]=3 3549 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [1,0,0,1,0,0|1,0,0]=3 3550 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [1,0,0,1,0,0|2,0,0]=4 3551 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [1,0,0,1,0,0|2,0,0]=4 3552 B7R1.2 NC1CCC(C1)O MCULE-5821071286 [1,0,0,1,0,0|1,0,1]=4 3553 B7R1.2 NC1CCC(C1)O MCULE-9391783901 [1,0,0,1,0,0|1,0,1]=4 3554 B7R1.2 NC1CCS(=O)C1 MCULE-7416029311 [1,0,0,1,0,0|2,0,0]=4 3555 B7R1.2 NC1CCS(=O)C1 MCULE-8914660363 [1,0,0,1,0,0|2,0,0]=4 3556 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [1,0,0,1,0,0|2,0,0]=4 3557 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [1,0,0,1,0,0|2,0,0]=4 3558 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [1,0,0,1,0,0|2,0,0]=4 3559 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [1,0,0,1,0,0|2,0,0]=4 3560 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [1,0,0,1,0,0|2,0,0]=4 3561 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [1,0,0,1,0,0|2,0,0]=4 3562 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [1,0,0,1,0,0|2,0,0]=4 3563 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [1,0,0,1,0,0|2,0,0]=4 3564 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-2973461190 [1,0,0,1,0,0|1,0,1]=4 3565 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-5462229704 [1,0,0,1,0,0|1,0,1]=4 3566 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-6746606174 [1,0,0,1,0,0|1,0,1]=4 3567 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7196403409 [1,0,0,1,0,0|1,0,1]=4 3568 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7511735313 [1,0,0,1,0,0|1,0,1]=4 3569 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-9023897758 [1,0,0,1,0,0|1,0,1]=4 3570 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-3286276562 [1,0,0,1,0,0|1,0,1]=4 3571 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-5345953109 [1,0,0,1,0,0|1,0,1]=4 3572 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-6442703385 [1,0,0,1,0,0|1,0,1]=4 3573 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-7457197538 [1,0,0,1,0,0|1,0,1]=4 3574 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [1,0,0,1,0,0|2,0,0]=4 3575 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [1,0,0,1,0,0|2,0,0]=4 3576 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [1,0,0,1,0,0|2,0,0]=4 3577 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [1,0,0,1,0,0|2,0,0]=4 3578 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [1,0,0,1,0,0|2,0,0]=4 3579 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [1,0,0,1,0,0|2,0,0]=4 3580 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [1,0,0,1,0,0|2,0,0]=4 3581 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [1,0,0,1,0,0|2,0,0]=4 3582 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-2764158583 [1,0,0,1,0,0|1,0,1]=4 3583 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-5047569623 [1,0,0,1,0,0|1,0,1]=4 3584 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-7674066148 [1,0,0,1,0,0|1,0,1]=4 3585 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-8478778872 [1,0,0,1,0,0|1,0,1]=4 3586 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-3786824722 [1,0,0,1,0,0|1,0,1]=4 3587 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-4140170961 [1,0,0,1,0,0|1,0,1]=4 3588 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5760466174 [1,0,0,1,0,0|1,0,1]=4 3589 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5995468864 [1,0,0,1,0,0|1,0,1]=4 3590 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-6230469368 [1,0,0,1,0,0|1,0,1]=4 3591 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-9622062244 [1,0,0,1,0,0|1,0,1]=4 3592 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [1,0,0,1,0,0|2,0,0]=4 3593 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [1,0,0,1,0,0|2,0,0]=4 3594 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [1,0,0,1,0,0|2,0,0]=4 3595 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [1,0,0,1,0,0|2,0,0]=4 3596 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [1,0,0,1,0,0|2,0,0]=4 3597 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [1,0,0,1,0,0|2,0,0]=4 3598 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [1,0,0,1,0,0|2,0,0]=4 3599 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [1,0,0,1,0,0|2,0,0]=4 3600 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [1,0,0,1,0,0|2,0,0]=4 3601 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [1,0,0,1,0,0|2,0,0]=4 3602 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [1,0,0,1,0,0|2,0,0]=4 3603 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [1,0,0,1,0,0|2,0,0]=4 3604 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [1,0,0,1,0,0|2,0,0]=4 3605 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [1,0,0,1,0,0|2,0,0]=4 3606 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [1,0,0,1,0,0|1,0,1]=4 3607 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [1,0,0,1,0,0|1,0,1]=4 3608 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [1,0,0,1,0,0|1,0,0]=3 3609 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [1,0,0,1,0,0|1,0,0]=3 3610 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [1,0,0,1,0,0|1,0,0]=3 3611 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [1,0,0,1,0,0|2,0,0]=4 3612 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [1,0,0,1,0,0|1,0,0]=3 3613 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [1,0,0,1,0,0|1,0,0]=3 3614 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [1,0,0,1,0,0|2,0,0]=4 3615 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [1,0,0,1,0,0|2,0,0]=4 3616 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [1,0,0,1,0,0|2,0,0]=4 3617 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [1,0,0,1,0,0|2,0,0]=4 3618 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [1,0,0,1,0,0|2,0,0]=4 3619 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [1,0,0,1,0,0|2,0,0]=4 3620 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [1,0,0,1,0,0|2,0,0]=4 3621 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [1,0,0,1,0,0|2,0,0]=4 3622 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [1,0,0,1,0,0|2,0,0]=4 3623 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [1,0,0,1,0,0|2,0,0]=4 3624 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [1,0,0,1,0,0|2,0,0]=4 3625 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [1,0,0,1,0,0|2,0,0]=4 3626 B7R1.2 OC1CCC(C1)O MCULE-2799846813 [1,0,0,1,0,0|1,0,1]=4 3627 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-4481324218 [1,0,0,1,0,0|1,0,1]=4 3628 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-6560672131 [1,0,0,1,0,0|1,0,1]=4 3629 B7R1.2 O[C@H]1CC[C@H](C1)O MCULE-4640874873 [1,0,0,1,0,0|1,0,1]=4 3630 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-3137346382 [1,0,0,1,0,0|1,0,1]=4 3631 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-9954737796 [1,0,0,1,0,0|1,0,1]=4 3632 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [1,0,0,1,0,0|0,0,0]=2 3633 B7R1.2 [C@H]1(CC[C@H](C1)O)O MCULE-4834858159 [1,0,0,1,0,0|1,0,1]=4 3634 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-1916837136 [1,0,0,1,0,0|1,0,1]=4 3635 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-8263093896 [1,0,0,1,0,0|1,0,1]=4 3636 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9065610836 [1,0,0,1,0,0|1,0,1]=4 3637 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9910248291 [1,0,0,1,0,0|1,0,1]=4 3638 B7R1.3 BrC1=CCCCC1 MCULE-6137796305 [1,0,0,1,0,0|2,0,0]=4 3639 B7R1.3 BrC1CCCCO1 MCULE-3659439382 [1,0,0,1,0,0|1,0,1]=4 3640 B7R1.3 BrC1CCCOC1 MCULE-5781416415 [1,0,0,1,0,0|1,0,1]=4 3641 B7R1.3 C1(CCCOC1)N MCULE-7160456966 [1,0,0,1,0,0|1,0,1]=4 3642 B7R1.3 C1(CCCOC1)N MCULE-9418657332 [1,0,0,1,0,0|1,0,1]=4 3643 B7R1.3 C=C1CCCCC1 MCULE-9812236661 [1,0,0,1,0,0|2,0,0]=4 3644 B7R1.3 C=C1CCCCN1 MCULE-8375354748 [1,0,0,1,0,0|2,0,0]=4 3645 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [1,0,0,1,0,0|2,0,0]=4 3646 B7R1.3 CC1CC=CCC1 MCULE-6343106785 [1,0,0,1,0,0|1,0,0]=3 3647 B7R1.3 CC1CCCCC1 MCULE-3843525768 [1,0,0,1,0,0|1,0,1]=4 3648 B7R1.3 CC1CCCCO1 MCULE-4439683294 [1,0,0,1,0,0|1,0,1]=4 3649 B7R1.3 CC1CCCNC1 MCULE-3344207132 [1,0,0,1,0,0|1,0,1]=4 3650 B7R1.3 CC1CCCNC1 MCULE-5707832183 [1,0,0,1,0,0|1,0,1]=4 3651 B7R1.3 CC1CCCNC1 MCULE-7033850891 [1,0,0,1,0,0|1,0,1]=4 3652 B7R1.3 CC1CCCNC1 MCULE-7153943487 [1,0,0,1,0,0|1,0,1]=4 3653 B7R1.3 CC1CCNCC1 MCULE-5873723365 [1,0,0,1,0,0|2,0,0]=4 3654 B7R1.3 CC1CCNCC1 MCULE-6994675149 [1,0,0,1,0,0|2,0,0]=4 3655 B7R1.3 CC1CCNCC1 MCULE-9043030659 [1,0,0,1,0,0|2,0,0]=4 3656 B7R1.3 CC1CCOCC1 MCULE-8623581625 [1,0,0,1,0,0|2,0,0]=4 3657 B7R1.3 CC1COCCN1 MCULE-1305824409 [1,0,0,1,0,0|1,0,1]=4 3658 B7R1.3 CC1COCCN1 MCULE-4570632464 [1,0,0,1,0,0|1,0,1]=4 3659 B7R1.3 CC1COCCN1 MCULE-6275555682 [1,0,0,1,0,0|1,0,1]=4 3660 B7R1.3 CC1COCCN1 MCULE-8711024794 [1,0,0,1,0,0|1,0,1]=4 3661 B7R1.3 CN1CC=CCC1 MCULE-1566475259 [1,0,0,1,0,0|2,0,0]=4 3662 B7R1.3 CN1CC=CCC1 MCULE-7879022625 [1,0,0,1,0,0|2,0,0]=4 3663 B7R1.3 CN1CCCCO1 MCULE-4407617276 [1,0,0,1,0,0|2,0,0]=4 3664 B7R1.3 CN1CCCCO1 MCULE-6297284655 [1,0,0,1,0,0|2,0,0]=4 3665 B7R1.3 C[C@@H]1CCCNC1 MCULE-1079173995 [1,0,0,1,0,0|1,0,1]=4 3666 B7R1.3 C[C@@H]1CCCNC1 MCULE-1230145662 [1,0,0,1,0,0|1,0,1]=4 3667 B7R1.3 C[C@@H]1CCCNC1 MCULE-3423787676 [1,0,0,1,0,0|1,0,1]=4 3668 B7R1.3 C[C@@H]1CCCNC1 MCULE-9303264483 [1,0,0,1,0,0|1,0,1]=4 3669 B7R1.3 C[C@@H]1COCCN1 MCULE-2750151013 [1,0,0,1,0,0|1,0,1]=4 3670 B7R1.3 C[C@@H]1COCCN1 MCULE-4003273424 [1,0,0,1,0,0|1,0,1]=4 3671 B7R1.3 C[C@@H]1COCCN1 MCULE-4627627990 [1,0,0,1,0,0|1,0,1]=4 3672 B7R1.3 C[C@@H]1COCCN1 MCULE-8600287111 [1,0,0,1,0,0|1,0,1]=4 3673 B7R1.3 C[C@H]1CCCNC1 MCULE-3372852932 [1,0,0,1,0,0|1,0,1]=4 3674 B7R1.3 C[C@H]1CCCNC1 MCULE-5146147676 [1,0,0,1,0,0|1,0,1]=4 3675 B7R1.3 C[C@H]1CCCNC1 MCULE-7894943546 [1,0,0,1,0,0|1,0,1]=4 3676 B7R1.3 C[C@H]1CCCNC1 MCULE-8016414984 [1,0,0,1,0,0|1,0,1]=4 3677 B7R1.3 C[C@H]1COCCN1 MCULE-1467834624 [1,0,0,1,0,0|1,0,1]=4 3678 B7R1.3 C[C@H]1COCCN1 MCULE-3486079226 [1,0,0,1,0,0|1,0,1]=4 3679 B7R1.3 C[C@H]1COCCN1 MCULE-5726525044 [1,0,0,1,0,0|1,0,1]=4 3680 B7R1.3 C[C@H]1COCCN1 MCULE-9977133603 [1,0,0,1,0,0|1,0,1]=4 3681 B7R1.3 ClC1=CCCCC1 MCULE-6882712527 [1,0,0,1,0,0|2,0,0]=4 3682 B7R1.3 ClC1CCCCO1 MCULE-3251653488 [1,0,0,1,0,0|1,0,1]=4 3683 B7R1.3 ClC1CCCOC1 MCULE-5733907796 [1,0,0,1,0,0|1,0,1]=4 3684 B7R1.3 FC1CCCCO1 MCULE-8724227177 [1,0,0,1,0,0|1,0,1]=4 3685 B7R1.3 FC1CCCOC1 MCULE-9003204358 [1,0,0,1,0,0|1,0,1]=4 3686 B7R1.3 N=C1NCCCO1 MCULE-4713912893 [1,0,0,1,0,0|2,0,0]=4 3687 B7R1.3 NC1=NCCCC1 MCULE-1020722938 [1,0,0,1,0,0|2,0,0]=4 3688 B7R1.3 NC1=NCCCC1 MCULE-9735306041 [1,0,0,1,0,0|2,0,0]=4 3689 B7R1.3 NC1=NCCCO1 MCULE-1909217779 [1,0,0,1,0,0|2,0,0]=4 3690 B7R1.3 NC1CC=CCC1 MCULE-4040563231 [1,0,0,1,0,0|2,0,0]=4 3691 B7R1.3 NC1CC=CCC1 MCULE-9904098902 [1,0,0,1,0,0|2,0,0]=4 3692 B7R1.3 NC1CCCOC1 MCULE-3002610862 [1,0,0,1,0,0|1,0,1]=4 3693 B7R1.3 NC1CCCOC1 MCULE-8678558313 [1,0,0,1,0,0|1,0,1]=4 3694 B7R1.3 N[C@@H]1CC=CCC1 MCULE-7764023195 [1,0,0,1,0,0|2,0,0]=4 3695 B7R1.3 N[C@@H]1CC=CCC1 MCULE-7983408030 [1,0,0,1,0,0|2,0,0]=4 3696 B7R1.3 N[C@@H]1CCCOC1 MCULE-3329999118 [1,0,0,1,0,0|1,0,1]=4 3697 B7R1.3 N[C@@H]1CCCOC1 MCULE-5434456311 [1,0,0,1,0,0|1,0,1]=4 3698 B7R1.3 N[C@@H]1CCCOC1 MCULE-8416525332 [1,0,0,1,0,0|1,0,1]=4 3699 B7R1.3 N[C@@H]1CCCOC1 MCULE-9941756618 [1,0,0,1,0,0|1,0,1]=4 3700 B7R1.3 N[C@H]1CC=CCC1 MCULE-2054948922 [1,0,0,1,0,0|2,0,0]=4 3701 B7R1.3 N[C@H]1CC=CCC1 MCULE-6634059436 [1,0,0,1,0,0|2,0,0]=4 3702 B7R1.3 N[C@H]1CCCOC1 MCULE-1619050625 [1,0,0,1,0,0|1,0,1]=4 3703 B7R1.3 N[C@H]1CCCOC1 MCULE-4275969826 [1,0,0,1,0,0|1,0,1]=4 3704 B7R1.3 N[C@H]1CCCOC1 MCULE-4421099383 [1,0,0,1,0,0|1,0,1]=4 3705 B7R1.3 N[C@H]1CCCOC1 MCULE-9281030983 [1,0,0,1,0,0|1,0,1]=4 3706 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [1,0,0,1,0,0|1,0,1]=4 3707 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [1,0,0,1,0,0|0,0,2]=4 3708 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [1,0,0,1,0,0|1,0,0]=3 3709 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [1,0,0,1,0,0|1,0,0]=3 3710 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [1,0,0,1,0,0|0,0,0]=2 3711 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [1,0,0,1,0,0|0,1,0]=3 3712 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [1,0,0,1,0,0|2,0,0]=4 3713 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [1,0,0,1,0,0|2,0,0]=4 3714 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [1,0,0,1,0,0|2,0,0]=4 3715 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [1,0,0,1,0,0|2,0,0]=4 3716 B7R1.3 O=C1CCNCC1 MCULE-7526186270 [1,0,0,1,0,0|2,0,0]=4 3717 B7R1.3 O=C1CCNCC1 MCULE-9761063200 [1,0,0,1,0,0|2,0,0]=4 3718 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [1,0,0,1,0,0|2,0,0]=4 3719 B7R1.3 O=C1CCOCC1 MCULE-6728095514 [1,0,0,1,0,0|2,0,0]=4 3720 B7R1.3 O=C1CCSCC1 MCULE-8638366518 [1,0,0,1,0,0|2,0,0]=4 3721 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [1,0,0,1,0,0|2,0,0]=4 3722 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [1,0,0,1,0,0|1,0,0]=3 3723 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [1,0,0,1,0,0|1,0,0]=3 3724 B7R1.3 O=C1COCCN1 MCULE-8242898041 [1,0,0,1,0,0|2,0,0]=4 3725 B7R1.3 O=C1COCCO1 MCULE-5754504096 [1,0,0,1,0,0|1,0,0]=3 3726 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [1,0,0,1,0,0|2,0,0]=4 3727 B7R1.3 O=C1NCCCN1 MCULE-4876148406 [1,0,0,1,0,0|2,0,0]=4 3728 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [1,0,0,1,0,0|1,0,0]=3 3729 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [1,0,0,1,0,0|2,0,0]=4 3730 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [1,0,0,1,0,0|1,0,0]=3 3731 B7R1.3 O=P1OCCCO1 MCULE-9154920312 [1,0,0,1,0,0|2,0,0]=4 3732 B7R1.3 O=S1CCCCC1 MCULE-1275253796 [1,0,0,1,0,0|2,0,0]=4 3733 B7R1.3 O=S1OCCCO1 MCULE-4755606100 [1,0,0,1,0,0|2,0,0]=4 3734 B7R1.3 OC1CC=CCC1 MCULE-9472259407 [1,0,0,1,0,0|2,0,0]=4 3735 B7R1.3 OC1CCCCC1 MCULE-8217921343 [1,0,0,1,0,0|1,0,1]=4 3736 B7R1.3 OC1CCCCN1 MCULE-7168605870 [1,0,0,1,0,0|1,0,1]=4 3737 B7R1.3 OC1CCCCN1 MCULE-9833825308 [1,0,0,1,0,0|1,0,1]=4 3738 B7R1.3 OC1CCCCO1 MCULE-1415784498 [1,0,0,1,0,0|0,0,2]=4 3739 B7R1.3 OC1CCCOC1 MCULE-3820663957 [1,0,0,1,0,0|1,0,1]=4 3740 B7R1.3 OC1CCCOC1 MCULE-4349250540 [1,0,0,1,0,0|1,0,1]=4 3741 B7R1.3 ON1CCCCC1 MCULE-5529301217 [1,0,0,1,0,0|2,0,0]=4 3742 B7R1.3 O[C@@H]1CCCOC1 MCULE-1439860824 [1,0,0,1,0,0|1,0,1]=4 3743 B7R1.3 O[C@@H]1CCCOC1 MCULE-5515107963 [1,0,0,1,0,0|1,0,1]=4 3744 B7R1.3 O[C@H]1CCCOC1 MCULE-2228949296 [1,0,0,1,0,0|1,0,1]=4 3745 B7R1.3 O[C@H]1CCCOC1 MCULE-6500179909 [1,0,0,1,0,0|1,0,1]=4 3746 B7R1.3 S=C1CCCCC1 MCULE-6072375043 [1,0,0,1,0,0|1,1,0]=4 3747 B7R1.3 S=C1CCCCN1 MCULE-2004608075 [1,0,0,1,0,0|1,1,0]=4 3748 B7R1.3 S=C1NCCCO1 MCULE-2364674450 [1,0,0,1,0,0|1,1,0]=4 3749 B7R1.3 SC1CCCOC1 MCULE-9540212924 [1,0,0,1,0,0|1,0,1]=4 3750 B7R1.5 CC1CC1N=C=O MCULE-2439771505 [1,0,0,1,0,0|1,0,1]=4 3751 B7R1.5 CCCC1ON1C MCULE-8959342998 [1,0,0,1,0,0|2,0,0]=4 3752 B7R1.5 CNCC1CC1C MCULE-9748636910 [1,0,0,1,0,0|2,0,0]=4 3753 B7R1.7 BrCCCC1CC1 MCULE-1359115765 [1,0,0,1,0,0|1,0,1]=4 3754 B7R1.7 C=CCCC1CO1 MCULE-2331378134 [1,0,0,1,0,0|2,0,0]=4 3755 B7R1.7 C=CCC[C@H]1CO1 MCULE-4953904401 [1,0,0,1,0,0|2,0,0]=4 3756 B7R1.7 C=CCC[C@H]1CO1 MCULE-7730579466 [1,0,0,1,0,0|2,0,0]=4 3757 B7R1.7 CCCCC1CO1 MCULE-8403189539 [1,0,0,1,0,0|1,0,1]=4 3758 B7R1.7 CNCCC1CC1 MCULE-2375777124 [1,0,0,1,0,0|2,0,0]=4 3759 B7R1.7 CNCCC1CC1 MCULE-9913761675 [1,0,0,1,0,0|2,0,0]=4 3760 B7R1.7 N#CCCC1CC1 MCULE-2020373635 [1,0,0,1,0,0|1,0,1]=4 3761 B7R1.7 NCCCC1CC1 MCULE-1579218471 [1,0,0,1,0,0|1,0,1]=4 3762 B7R1.7 NCCCC1CC1 MCULE-8160460213 [1,0,0,1,0,0|1,0,1]=4 3763 B7R1.7 NOCCC1CC1 MCULE-1304023980 [1,0,0,1,0,0|2,0,0]=4 3764 B7R1.7 NOCCC1CC1 MCULE-8656049274 [1,0,0,1,0,0|2,0,0]=4 3765 B7R1.7 O=C=NCC1CC1 MCULE-8504006885 [1,0,0,1,0,0|1,0,1]=4 3766 B7R1.7 O=CCCC1CC1 MCULE-2890512932 [1,0,0,1,0,0|0,0,0]=2 3767 B7R1.7 OCCCC1CC1 MCULE-5336501479 [1,0,0,1,0,0|0,0,1]=3 3768 B7R1.7 OCCNC1CC1 MCULE-2068668434 [1,0,0,1,0,0|1,0,1]=4 3769 B7R1.7 OCCOC1CC1 MCULE-8583841482 [1,0,0,1,0,0|1,0,1]=4 3770 B7R1.7 ON=CCC1CC1 MCULE-4604594732 [1,0,0,1,0,0|1,0,1]=4 3771 B7R1.10 CC1CC(C1)C#N MCULE-7387519905 [1,0,0,1,0,0|1,0,1]=4 3772 B7R1.10 CC1CC(C1)C=O MCULE-1258886786 [1,0,0,1,0,0|0,0,0]=2 3773 B7R1.10 CC1CC(C1)CBr MCULE-3814375250 [1,0,0,1,0,0|1,0,1]=4 3774 B7R1.10 CC1CC(C1)CN MCULE-4821587591 [1,0,0,1,0,0|1,0,1]=4 3775 B7R1.10 CC1CC(C1)CN MCULE-8372628495 [1,0,0,1,0,0|1,0,1]=4 3776 B7R1.10 CC1CC(C1)CO MCULE-5730978355 [1,0,0,1,0,0|0,0,1]=3 3777 B7R1.10 CCC1CC(=O)C1 MCULE-6356390328 [1,0,0,1,0,0|1,0,0]=3 3778 B7R1.10 CN1CC(C1)CO MCULE-7263385340 [1,0,0,1,0,0|1,0,1]=4 3779 B7R1.10 CN1CC(C1)CO MCULE-8892079014 [1,0,0,1,0,0|1,0,1]=4 3780 B7R1.10 CNC1CC(C1)C MCULE-5081801744 [1,0,0,1,0,0|2,0,0]=4 3781 B7R1.10 CNC1CC(C1)C MCULE-9449007216 [1,0,0,1,0,0|2,0,0]=4 3782 B7R1.10 COC1CC(=O)C1 MCULE-3488458490 [1,0,0,1,0,0|2,0,0]=4 3783 B7R1.10 CSC1CC(=O)C1 MCULE-4578180421 [1,0,0,1,0,0|2,0,0]=4 3784 B7R1.10 NC1CC(C1)CO MCULE-4549811698 [1,0,0,1,0,0|1,0,1]=4 3785 B7R1.10 NC1CC(C1)CO MCULE-9310533439 [1,0,0,1,0,0|1,0,1]=4 3786 B7R1.10 NCC1CC(=O)C1 MCULE-2475090953 [1,0,0,1,0,0|2,0,0]=4 3787 B7R1.10 NCC1CC(=O)C1 MCULE-3448735299 [1,0,0,1,0,0|2,0,0]=4 3788 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [1,0,0,1,0,0|2,0,0]=4 3789 B7R1.10 N[C@H]1C[C@@H](C1)CO MCULE-1976271596 [1,0,0,1,0,0|1,0,1]=4 3790 B7R1.10 N[C@H]1C[C@@H](C1)CO MCULE-2004610084 [1,0,0,1,0,0|1,0,1]=4 3791 B7R1.10 N[C@H]1C[C@H](C1)CO MCULE-3406959231 [1,0,0,1,0,0|1,0,1]=4 3792 B7R1.10 N[C@H]1C[C@H](C1)CO MCULE-9771399616 [1,0,0,1,0,0|1,0,1]=4 3793 B7R1.10 O=C1CC(C1)CBr MCULE-3146426428 [1,0,0,1,0,0|2,0,0]=4 3794 B7R1.10 O=C1CC(C1)CCl MCULE-9945216137 [1,0,0,1,0,0|2,0,0]=4 3795 B7R1.10 O=C1CC(C1)CF MCULE-5064337976 [1,0,0,1,0,0|2,0,0]=4 3796 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [1,0,0,1,0,0|2,0,0]=4 3797 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [1,0,0,1,0,0|2,0,0]=4 3798 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [1,0,0,1,0,0|2,0,0]=4 3799 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [1,0,0,1,0,0|2,0,0]=4 3800 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [1,0,0,1,0,0|1,0,0]=3 3801 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [1,0,0,1,0,0|2,0,0]=4 3802 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [1,0,0,1,0,0|2,0,0]=4 3803 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [1,0,0,1,0,0|2,0,0]=4 3804 B7R1.10 OCC1CC(C1)Br MCULE-6426656913 [1,0,0,1,0,0|1,0,1]=4 3805 B7R1.10 OCC1CC(C1)Cl MCULE-8102550006 [1,0,0,1,0,0|1,0,1]=4 3806 B7R1.10 OCC1CC(C1)F MCULE-8343173774 [1,0,0,1,0,0|1,0,1]=4 3807 B7R1.10 OCC1CC(C1)O MCULE-3885216336 [1,0,0,1,0,0|1,0,1]=4 3808 B7R1.10 OC[C@H]1C[C@H](C1)O MCULE-2350233032 [1,0,0,1,0,0|1,0,1]=4 3809 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [1,0,0,1,0,0|0,0,2]=4 3810 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [1,0,0,1,0,0|1,0,0]=3 3811 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [1,0,0,1,0,0|1,0,0]=3 3812 B7R1.12 CC(C)[C@@H]1C[C@H]1N MCULE-1713655941 [1,0,0,1,0,0|1,0,1]=4 3813 B7R1.12 CC(C)[C@@H]1C[C@H]1N MCULE-5926317826 [1,0,0,1,0,0|1,0,1]=4 3814 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [1,0,0,1,0,0|0,0,2]=4 3815 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [1,0,0,1,0,0|1,0,0]=3 3816 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [1,0,0,1,0,0|1,0,0]=3 3817 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [1,0,0,1,0,0|0,0,0]=2 3818 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [1,0,0,1,0,0|2,0,0]=4 3819 B7R1.12 C[C@@H]1C[C@@H]1B(O)O MCULE-4091409950 [1,0,0,1,0,0|1,0,1]=4 3820 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [1,0,0,1,0,0|0,0,0]=2 3821 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [1,0,0,1,0,0|0,0,0]=2 3822 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [1,0,0,1,0,0|0,0,0]=2 3823 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [1,0,0,1,0,0|0,0,0]=2 3824 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [1,0,0,1,0,0|0,0,0]=2 3825 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [1,0,0,1,0,0|0,0,0]=2 3826 B7R1.12 C[C@H]1C[C@H]1B(O)O MCULE-9584013970 [1,0,0,1,0,0|1,0,1]=4 3827 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [1,0,0,1,0,0|0,0,0]=2 3828 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [1,0,0,1,0,0|0,0,0]=2 3829 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [1,0,0,1,0,0|0,0,0]=2 3830 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [1,0,0,1,0,0|2,0,0]=4 3831 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [1,0,0,1,0,0|2,0,0]=4 3832 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [1,0,0,1,0,0|1,0,0]=3 3833 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [1,0,0,1,0,0|1,0,0]=3 3834 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [1,0,0,1,0,0|1,0,0]=3 3835 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [1,0,0,1,0,0|1,0,0]=3 3836 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [1,0,0,1,0,0|1,0,0]=3 3837 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [1,0,0,1,0,0|1,0,0]=3 3838 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [1,0,0,1,0,0|1,0,0]=3 3839 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [1,0,0,1,0,0|1,0,0]=3 3840 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [1,0,0,1,0,0|1,0,0]=3 3841 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [1,0,0,1,0,0|1,0,0]=3 3842 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [1,0,0,1,0,0|1,0,0]=3 3843 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [1,0,0,1,0,0|1,0,0]=3 3844 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [1,0,0,1,0,0|1,0,0]=3 3845 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [1,0,0,1,0,0|1,0,0]=3 3846 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [1,0,0,1,0,0|1,0,0]=3 3847 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [1,0,0,1,0,0|1,0,0]=3 3848 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [1,0,0,1,0,0|1,0,0]=3 3849 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [1,0,0,1,0,0|1,0,0]=3 3850 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [1,0,0,1,0,0|1,0,0]=3 3851 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [1,0,0,1,0,0|1,0,0]=3 3852 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [1,0,0,1,0,0|1,0,0]=3 3853 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [1,0,0,1,0,0|1,0,0]=3 3854 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [1,0,0,1,0,0|0,0,0]=2 3855 B7R1.14 CC1(C=CCC1)C MCULE-9154912302 [1,0,0,1,0,0|1,0,0]=3 3856 B7R1.14 CC1(CCCC1)O MCULE-1425529053 [1,0,0,1,0,0|1,0,1]=4 3857 B7R1.14 CC1(CCCN1)C MCULE-3172250386 [1,0,0,1,0,0|1,0,1]=4 3858 B7R1.14 CC1(CCCN1)C MCULE-6227706175 [1,0,0,1,0,0|1,0,1]=4 3859 B7R1.14 CC1(CCNC1)C MCULE-3460660754 [1,0,0,1,0,0|2,0,0]=4 3860 B7R1.14 CC1(CCNC1)C MCULE-7874744806 [1,0,0,1,0,0|2,0,0]=4 3861 B7R1.14 CC1(CCNC1)C MCULE-9717378283 [1,0,0,1,0,0|2,0,0]=4 3862 B7R1.14 CC1(CN=CN1)C MCULE-2151532658 [1,0,0,1,0,0|2,0,0]=4 3863 B7R1.14 CC1(COC=N1)C MCULE-6704291423 [1,0,0,1,0,0|2,0,0]=4 3864 B7R1.14 CC1(NCCO1)C MCULE-5384206883 [1,0,0,1,0,0|1,0,1]=4 3865 B7R1.14 CC1(OCCO1)C MCULE-3382136459 [1,0,0,1,0,0|1,0,1]=4 3866 B7R1.14 N=S1(=O)CCCC1 MCULE-6922708158 [1,0,0,1,0,0|2,0,0]=4 3867 B7R1.14 O=P1(CCCC1)Cl MCULE-9877294162 [1,0,0,1,0,0|2,0,0]=4 3868 B7R1.14 O=S1(=O)CCCC1 MCULE-3506686856 [1,0,0,1,0,0|1,0,1]=4 3869 B7R1.17 CC1(CCC1=O)C MCULE-3723871956 [1,0,0,1,0,0|0,0,0]=2 3870 B7R1.17 CC1(CCC1Br)C MCULE-2707590334 [1,0,0,1,0,0|1,0,1]=4 3871 B7R1.17 CC1(CCC1N)C MCULE-3143969489 [1,0,0,1,0,0|1,0,1]=4 3872 B7R1.17 CC1(CCC1N)C MCULE-7719131610 [1,0,0,1,0,0|1,0,1]=4 3873 B7R1.17 CC1(CCC1O)C MCULE-7385359414 [1,0,0,1,0,0|0,0,1]=3 3874 B7R1.17 CC1(CC[C@@H]1O)C MCULE-9766955692 [1,0,0,1,0,0|0,0,1]=3 3875 B7R1.17 CC1(CNC1=O)C MCULE-3476087791 [1,0,0,1,0,0|1,0,0]=3 3876 B7R1.17 CC1(NCC1O)C MCULE-5840741801 [1,0,0,1,0,0|1,0,1]=4 3877 B7R1.17 CC1(NCC1O)C MCULE-7044413523 [1,0,0,1,0,0|1,0,1]=4 3878 B7R1.17 CC1(OCC1=O)C MCULE-5758313494 [1,0,0,1,0,0|1,0,0]=3 3879 B7R1.17 CC1(OCC1O)C MCULE-4679216060 [1,0,0,1,0,0|1,0,1]=4 3880 B7R1.17 O=C1CCC1(Br)Br MCULE-8976658449 [1,0,0,1,0,0|2,0,0]=4 3881 B7R1.17 O=C1CCC1(F)F MCULE-4827224161 [1,0,0,1,0,0|2,0,0]=4 3882 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [1,0,0,1,0,0|1,0,0]=3 3883 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [1,0,0,1,0,0|1,0,0]=3 3884 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [1,0,0,1,0,0|2,0,0]=4 3885 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [1,0,0,1,0,0|2,0,0]=4 3886 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [1,0,0,1,0,0|2,0,0]=4 3887 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [1,0,0,1,0,0|2,0,0]=4 3888 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [1,0,0,1,0,0|2,0,0]=4 3889 B7R1.18 CC(C)C1CNC1 MCULE-4830353053 [1,0,0,1,0,0|2,0,0]=4 3890 B7R1.18 CC(C)C1CNC1 MCULE-7304386148 [1,0,0,1,0,0|2,0,0]=4 3891 B7R1.18 CC(O)C1CCC1 MCULE-7846963519 [1,0,0,1,0,0|1,0,1]=4 3892 B7R1.18 C[C@@H](O)C1CCC1 MCULE-6990873960 [1,0,0,1,0,0|1,0,1]=4 3893 B7R1.18 C[C@H](O)C1CCC1 MCULE-5072123772 [1,0,0,1,0,0|1,0,1]=4 3894 B7R1.18 C[C@H](O)C1CCC1 MCULE-6701623925 [1,0,0,1,0,0|1,0,1]=4 3895 B7R1.18 N=C(N)C1CCC1 MCULE-3470535674 [1,0,0,1,0,0|2,0,0]=4 3896 B7R1.18 N=C(N)C1CCC1 MCULE-4802517706 [1,0,0,1,0,0|2,0,0]=4 3897 B7R1.18 N=C(N)C1CCC1 MCULE-5858986439 [1,0,0,1,0,0|2,0,0]=4 3898 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [1,0,0,1,0,0|1,0,0]=3 3899 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [1,0,0,1,0,0|2,0,0]=4 3900 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [1,0,0,1,0,0|2,0,0]=4 3901 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [1,0,0,1,0,0|2,0,0]=4 3902 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [1,0,0,1,0,0|2,0,0]=4 3903 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [1,0,0,1,0,0|2,0,0]=4 3904 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [1,0,0,1,0,0|2,0,0]=4 3905 B7R1.18 NC(=O)N1CCC1 MCULE-1594728830 [1,0,0,1,0,0|2,0,0]=4 3906 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [1,0,0,1,0,0|2,0,0]=4 3907 B7R1.18 NC(=S)C1CCC1 MCULE-9753547991 [1,0,0,1,0,0|1,1,0]=4 3908 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [1,0,0,1,0,0|1,0,0]=3 3909 B7R1.18 O=C(Cl)N1CCC1 MCULE-8313088104 [1,0,0,1,0,0|2,0,0]=4 3910 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [1,0,0,1,0,0|0,0,2]=4 3911 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [1,0,0,1,0,0|0,0,0]=2 3912 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [1,0,0,1,0,0|1,0,0]=3 3913 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [1,0,0,1,0,0|1,0,0]=3 3914 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [1,0,0,1,0,0|1,0,0]=3 3915 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [1,0,0,1,0,0|1,0,0]=3 3916 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [1,0,0,1,0,0|1,0,0]=3 3917 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [1,0,0,1,0,0|1,0,0]=3 3918 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [1,0,0,1,0,0|1,0,0]=3 3919 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [1,0,0,1,0,0|1,0,0]=3 3920 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [1,0,0,1,0,0|1,0,0]=3 3921 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [1,0,0,1,0,0|1,0,0]=3 3922 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [1,0,0,1,0,0|1,0,0]=3 3923 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [1,0,0,1,0,0|1,0,0]=3 3924 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [1,0,0,1,0,0|1,0,0]=3 3925 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [1,0,0,1,0,0|1,0,0]=3 3926 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [1,0,0,1,0,0|1,0,0]=3 3927 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [1,0,0,1,0,0|1,0,0]=3 3928 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [1,0,0,1,0,0|1,0,0]=3 3929 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [1,0,0,1,0,0|1,0,0]=3 3930 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [1,0,0,1,0,0|1,0,0]=3 3931 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [1,0,0,1,0,0|1,0,0]=3 3932 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [1,0,0,1,0,0|1,0,0]=3 3933 B7R1.18 O=N(=O)C1CCC1 MCULE-1263563910 [1,0,0,1,0,0|1,0,1]=4 3934 B7R1.18 O=S([O-])C1CCC1 MCULE-2181260614 [1,0,0,1,0,0|1,0,1]=4 3935 B7R1.18 O=S([O-])C1CCC1 MCULE-5691798035 [1,0,0,1,0,0|1,0,1]=4 3936 B7R1.18 OB(O)C1CCC1 MCULE-3574521261 [1,0,0,1,0,0|1,0,1]=4 3937 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [1,0,0,1,0,0|1,0,0]=3 3938 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [1,0,0,1,0,0|2,0,0]=4 3939 B7R1.20 CC(C)CC1CO1 MCULE-7259971470 [1,0,0,1,0,0|0,0,1]=3 3940 B7R1.20 CC(O)CC1CC1 MCULE-1952195648 [1,0,0,1,0,0|1,0,1]=4 3941 B7R1.20 CN(C)CC1CO1 MCULE-3116266625 [1,0,0,1,0,0|1,0,1]=4 3942 B7R1.20 C[C@@H](O)CC1CC1 MCULE-2616688976 [1,0,0,1,0,0|1,0,1]=4 3943 B7R1.20 C[C@H](O)CC1CC1 MCULE-5001414363 [1,0,0,1,0,0|1,0,1]=4 3944 B7R1.20 N=C(N)CC1CC1 MCULE-6959128379 [1,0,0,1,0,0|2,0,0]=4 3945 B7R1.20 N=C(N)CC1CC1 MCULE-7106217917 [1,0,0,1,0,0|2,0,0]=4 3946 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [1,0,0,1,0,0|1,0,0]=3 3947 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [1,0,0,1,0,0|2,0,0]=4 3948 B7R1.20 NC(=O)NC1CC1 MCULE-4338833542 [1,0,0,1,0,0|2,0,0]=4 3949 B7R1.20 NC(=S)CC1CC1 MCULE-3521862976 [1,0,0,1,0,0|1,1,0]=4 3950 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [1,0,0,1,0,0|1,0,0]=3 3951 B7R1.20 O=C(Cl)NC1CC1 MCULE-8107862020 [1,0,0,1,0,0|2,0,0]=4 3952 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [1,0,0,1,0,0|2,0,0]=4 3953 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [1,0,0,1,0,0|0,0,2]=4 3954 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [1,0,0,1,0,0|0,0,0]=2 3955 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [1,0,0,1,0,0|1,0,0]=3 3956 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [1,0,0,1,0,0|1,0,0]=3 3957 B7R1.20 O=N(=O)CC1CC1 MCULE-1695328225 [1,0,0,1,0,0|1,0,1]=4 3958 B7R1.20 O=S([O-])CC1CC1 MCULE-5174157846 [1,0,0,1,0,0|1,0,1]=4 3959 B7R1.20 O=S([O-])CC1CC1 MCULE-8367574745 [1,0,0,1,0,0|1,0,1]=4 3960 B7R1.20 OB(O)CC1CC1 MCULE-2775080556 [1,0,0,1,0,0|1,0,1]=4 3961 B7R1.23 CC1(CC1C#N)C MCULE-6202919210 [1,0,0,1,0,0|1,0,1]=4 3962 B7R1.23 CC1(CC1C=O)Br MCULE-1505961517 [1,0,0,1,0,0|1,0,0]=3 3963 B7R1.23 CC1(CC1C=O)C MCULE-9386051771 [1,0,0,1,0,0|0,0,0]=2 3964 B7R1.23 CC1(CC1CN)C MCULE-5243006209 [1,0,0,1,0,0|1,0,1]=4 3965 B7R1.23 CC1(CC1CN)C MCULE-8803769775 [1,0,0,1,0,0|1,0,1]=4 3966 B7R1.23 CC1(CC1CO)Br MCULE-1246890004 [1,0,0,1,0,0|1,0,1]=4 3967 B7R1.23 CC1(CC1CO)C MCULE-3855230422 [1,0,0,1,0,0|0,0,1]=3 3968 B7R1.23 CC1(C[C@@H]1CO)C MCULE-2771980454 [1,0,0,1,0,0|0,0,1]=3 3969 B7R1.23 CC1(C[C@H]1CO)C MCULE-7876524457 [1,0,0,1,0,0|0,0,1]=3 3970 B7R1.23 CC1(OC1CO)C MCULE-5147602353 [1,0,0,1,0,0|1,0,1]=4 3971 B7R1.23 CNC1CC1(C)C MCULE-2392748327 [1,0,0,1,0,0|2,0,0]=4 3972 B7R1.23 CNC1CC1(C)C MCULE-6195602506 [1,0,0,1,0,0|2,0,0]=4 3973 B7R1.23 O=CC1CC1(F)F MCULE-5377082936 [1,0,0,1,0,0|2,0,0]=4 3974 B7R1.16 CC1(CC(=O)C1)C MCULE-4306266527 [0,0,0,1,1,0|1,0,0]=3 3975 B7R1.16 CC1(CC(=O)C1)N MCULE-1739432720 [0,0,0,1,1,0|2,0,0]=4 3976 B7R1.16 CC1(CC(=O)C1)N MCULE-2529462721 [0,0,0,1,1,0|2,0,0]=4 3977 B7R1.16 CC1(CC(=O)N1)C MCULE-5555898363 [0,0,0,1,1,0|1,0,0]=3 3978 B7R1.16 CC1(CC(C1)O)C MCULE-3648206950 [0,0,0,1,1,0|1,0,1]=4 3979 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,0,0,1,0,1|1,0,1]=4 3980 B9R1.35 C1(CCN(C1)C(=O)C)O MCULE-2995435877 [0,0,0,1,0,1|2,0,0]=4 3981 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [0,0,0,1,0,1|1,0,0]=3 3982 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [0,0,0,1,0,1|1,0,0]=3 3983 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,0,0,1,0,1|0,0,2]=4 3984 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [0,0,0,1,0,1|1,0,1]=4 3985 B9R1.35 CC(=O)C1CCN(C1)C MCULE-4293303594 [0,0,0,1,0,1|2,0,0]=4 3986 B9R1.35 CC(=O)N1CCC(C1)Br MCULE-8355936501 [0,0,0,1,0,1|2,0,0]=4 3987 B9R1.35 CC(=O)N1CCC(C1)Cl MCULE-6832350132 [0,0,0,1,0,1|2,0,0]=4 3988 B9R1.35 CC(=O)N1CCC(C1)I MCULE-8317311112 [0,0,0,1,0,1|2,0,0]=4 3989 B9R1.35 CC(=O)N1CCC(C1)N MCULE-4859899694 [0,0,0,1,0,1|2,0,0]=4 3990 B9R1.35 CC(=O)N1CCC(C1)N MCULE-5207016672 [0,0,0,1,0,1|2,0,0]=4 3991 B9R1.35 CC(=O)N1CCC(C1)O MCULE-4508537142 [0,0,0,1,0,1|2,0,0]=4 3992 B9R1.35 CC(=O)N1CC[C@@H](C1)Br MCULE-1322966275 [0,0,0,1,0,1|2,0,0]=4 3993 B9R1.35 CC(=O)N1CC[C@@H](C1)Cl MCULE-2029967624 [0,0,0,1,0,1|2,0,0]=4 3994 B9R1.35 CC(=O)N1CC[C@@H](C1)I MCULE-7320383470 [0,0,0,1,0,1|2,0,0]=4 3995 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-2398948421 [0,0,0,1,0,1|2,0,0]=4 3996 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-5902852942 [0,0,0,1,0,1|2,0,0]=4 3997 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-7792031754 [0,0,0,1,0,1|2,0,0]=4 3998 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-9501815600 [0,0,0,1,0,1|2,0,0]=4 3999 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-4145127323 [0,0,0,1,0,1|2,0,0]=4 4000 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-8205833952 [0,0,0,1,0,1|2,0,0]=4 4001 B9R1.35 CC(=O)N1CC[C@H](C1)Br MCULE-4315476515 [0,0,0,1,0,1|2,0,0]=4 4002 B9R1.35 CC(=O)N1CC[C@H](C1)Cl MCULE-4172580306 [0,0,0,1,0,1|2,0,0]=4 4003 B9R1.35 CC(=O)N1CC[C@H](C1)I MCULE-1825691667 [0,0,0,1,0,1|2,0,0]=4 4004 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-2775875761 [0,0,0,1,0,1|2,0,0]=4 4005 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-3800389790 [0,0,0,1,0,1|2,0,0]=4 4006 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-5934390450 [0,0,0,1,0,1|2,0,0]=4 4007 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-6629805054 [0,0,0,1,0,1|2,0,0]=4 4008 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1031340554 [0,0,0,1,0,1|2,0,0]=4 4009 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1348897751 [0,0,0,1,0,1|2,0,0]=4 4010 B9R1.35 CC(C)C1=NNC(=O)O1 MCULE-3128321164 [0,0,0,1,0,1|1,0,1]=4 4011 B9R1.35 CC(C)C1CC(=O)CS1 MCULE-5750458738 [0,0,0,1,0,1|1,0,0]=3 4012 B9R1.35 CC(C)C1CCC(=O)C1 MCULE-7380487072 [0,0,0,1,0,1|1,0,0]=3 4013 B9R1.35 CC(C)C1CCC(=O)N1 MCULE-4396910868 [0,0,0,1,0,1|1,0,0]=3 4014 B9R1.35 CC(C)C1CNC(=O)C1 MCULE-5597835363 [0,0,0,1,0,1|1,0,0]=3 4015 B9R1.35 CC(C)C1CNC(=O)O1 MCULE-1501293157 [0,0,0,1,0,1|0,0,0]=2 4016 B9R1.35 CC(C)C1COC(=O)N1 MCULE-1965076998 [0,0,0,1,0,1|1,0,0]=3 4017 B9R1.35 CC(C)C1COC(=O)N1 MCULE-2788936532 [0,0,0,1,0,1|1,0,0]=3 4018 B9R1.35 CC(C)C1COC(=S)N1 MCULE-4691689619 [0,0,0,1,0,1|1,1,0]=4 4019 B9R1.35 CC(C)C1CSC(=S)N1 MCULE-8757810363 [0,0,0,1,0,1|1,1,0]=4 4020 B9R1.35 CC(C)C1CSC(=S)N1 MCULE-9879283190 [0,0,0,1,0,1|1,1,0]=4 4021 B9R1.35 CC(C)N1CCC(=O)C1 MCULE-4733756121 [0,0,0,1,0,1|1,0,0]=3 4022 B9R1.35 CC(C)N1CCC(=O)C1 MCULE-5325562203 [0,0,0,1,0,1|1,0,0]=3 4023 B9R1.35 CC(C)N1CCC(C1)O MCULE-3720057489 [0,0,0,1,0,1|1,0,1]=4 4024 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 MCULE-8463254156 [0,0,0,1,0,1|1,0,0]=3 4025 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 MCULE-9798698843 [0,0,0,1,0,1|1,0,0]=3 4026 B9R1.35 CC(C)[C@@H]1COC(=O)N1 MCULE-1277886960 [0,0,0,1,0,1|1,0,0]=3 4027 B9R1.35 CC(C)[C@@H]1COC(=O)N1 MCULE-1343977474 [0,0,0,1,0,1|1,0,0]=3 4028 B9R1.35 CC(C)[C@@H]1COC(=S)N1 MCULE-8949615505 [0,0,0,1,0,1|1,1,0]=4 4029 B9R1.35 CC(C)[C@@H]1COC(=S)N1 MCULE-9596314105 [0,0,0,1,0,1|1,1,0]=4 4030 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 MCULE-3579607661 [0,0,0,1,0,1|1,1,0]=4 4031 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 MCULE-6745343543 [0,0,0,1,0,1|1,1,0]=4 4032 B9R1.35 CC(C)[C@H]1CCC(=O)N1 MCULE-1275403270 [0,0,0,1,0,1|1,0,0]=3 4033 B9R1.35 CC(C)[C@H]1COC(=O)N1 MCULE-5403273241 [0,0,0,1,0,1|1,0,0]=3 4034 B9R1.35 CC(C)[C@H]1COC(=O)N1 MCULE-5661692505 [0,0,0,1,0,1|1,0,0]=3 4035 B9R1.35 CC(C)[C@H]1COC(=S)N1 MCULE-4905728060 [0,0,0,1,0,1|1,1,0]=4 4036 B9R1.35 CC(C)[C@H]1COC(=S)N1 MCULE-8676740424 [0,0,0,1,0,1|1,1,0]=4 4037 B9R1.35 CC(C)[C@H]1CSC(=S)N1 MCULE-1723808706 [0,0,0,1,0,1|1,1,0]=4 4038 B9R1.35 CC(C)[C@H]1CSC(=S)N1 MCULE-6313365924 [0,0,0,1,0,1|1,1,0]=4 4039 B9R1.35 CC1=CC(SC1)C(=O)O MCULE-1599288333 [0,0,0,1,0,1|0,0,2]=4 4040 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,0,0,1,0,1|1,0,1]=4 4041 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,0,0,1,0,1|1,0,1]=4 4042 B9R1.35 CC1=NC(CS1)C(=O)O MCULE-2658936955 [0,0,0,1,0,1|1,0,1]=4 4043 B9R1.35 CC1=NOC(C1)C(=O)O MCULE-4730152545 [0,0,0,1,0,1|1,0,1]=4 4044 B9R1.35 CC1=NO[C@@H](C1)C(=O)O MCULE-4081165004 [0,0,0,1,0,1|1,0,1]=4 4045 B9R1.35 CC1CC(=NO1)C(=O)O MCULE-8733803647 [0,0,0,1,0,1|1,0,1]=4 4046 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [0,0,0,1,0,1|0,0,0]=2 4047 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,0,0,1,0,1|0,0,0]=2 4048 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,0,0,1,0,1|1,0,0]=3 4049 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,0,0,1,0,1|1,0,0]=3 4050 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,0,0,1,0,1|1,0,0]=3 4051 B9R1.35 CC1CCN(C1)C(=O)Cl MCULE-4918001156 [0,0,0,1,0,1|1,0,0]=3 4052 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,0,0,1,0,1|0,0,0]=2 4053 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,0,0,1,0,1|0,0,0]=2 4054 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [0,0,0,1,0,1|0,0,0]=2 4055 B9R1.35 CC1NC(CS1)C(=O)O MCULE-3100233154 [0,0,0,1,0,1|1,0,0]=3 4056 B9R1.35 CC1N[C@H](CS1)C(=O)O MCULE-6392464999 [0,0,0,1,0,1|1,0,0]=3 4057 B9R1.35 CN1C=NC(C1)C(=O)O MCULE-4940976118 [0,0,0,1,0,1|1,0,1]=4 4058 B9R1.35 CN1C=NC(C1)C(=O)O MCULE-8264815969 [0,0,0,1,0,1|1,0,1]=4 4059 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [0,0,0,1,0,1|1,0,0]=3 4060 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [0,0,0,1,0,1|1,0,0]=3 4061 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [0,0,0,1,0,1|1,0,0]=3 4062 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [0,0,0,1,0,1|1,0,0]=3 4063 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [0,0,0,1,0,1|1,0,0]=3 4064 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [0,0,0,1,0,1|1,0,0]=3 4065 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [0,0,0,1,0,1|1,0,0]=3 4066 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [0,0,0,1,0,1|1,0,0]=3 4067 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,0,0,1,0,1|1,0,0]=3 4068 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,0,0,1,0,1|1,0,0]=3 4069 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,0,0,1,0,1|1,0,0]=3 4070 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,0,0,1,0,1|1,0,0]=3 4071 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,0,0,1,0,1|1,0,0]=3 4072 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,0,0,1,0,1|1,0,0]=3 4073 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,0,0,1,0,1|1,0,0]=3 4074 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,0,0,1,0,1|1,0,0]=3 4075 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,0,0,1,0,1|1,0,0]=3 4076 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,0,0,1,0,1|1,0,0]=3 4077 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,0,0,1,0,1|0,0,0]=2 4078 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,0,0,1,0,1|0,0,0]=2 4079 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,0,0,1,0,1|0,0,0]=2 4080 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,0,0,1,0,1|0,0,0]=2 4081 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,0,0,1,0,1|1,0,0]=3 4082 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,0,0,1,0,1|1,0,0]=3 4083 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,0,0,1,0,1|1,0,0]=3 4084 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,0,0,1,0,1|1,0,0]=3 4085 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,0,0,1,0,1|0,0,0]=2 4086 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,0,0,1,0,1|0,0,0]=2 4087 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,0,0,1,0,1|0,0,0]=2 4088 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,0,0,1,0,1|0,0,0]=2 4089 B9R1.35 NC(=O)C1CC(CN1)F MCULE-8271084148 [0,0,0,1,0,1|2,0,0]=4 4090 B9R1.35 NC(=O)C1CC(CN1)F MCULE-9864087367 [0,0,0,1,0,1|2,0,0]=4 4091 B9R1.35 NC(=O)C1CC(CN1)O MCULE-8628888959 [0,0,0,1,0,1|2,0,0]=4 4092 B9R1.35 NC(=O)C1CC(CN1)O MCULE-9327040437 [0,0,0,1,0,1|2,0,0]=4 4093 B9R1.35 NC(=O)N1CCC(C1)N MCULE-1767398338 [0,0,0,1,0,1|2,0,0]=4 4094 B9R1.35 NC(=O)N1CCC(C1)N MCULE-2883297977 [0,0,0,1,0,1|2,0,0]=4 4095 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-7570889128 [0,0,0,1,0,1|2,0,0]=4 4096 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-8629602486 [0,0,0,1,0,1|2,0,0]=4 4097 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-1115995515 [0,0,0,1,0,1|2,0,0]=4 4098 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-3958905536 [0,0,0,1,0,1|2,0,0]=4 4099 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-5421731805 [0,0,0,1,0,1|2,0,0]=4 4100 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-9864372515 [0,0,0,1,0,1|2,0,0]=4 4101 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-1506534259 [0,0,0,1,0,1|2,0,0]=4 4102 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-4335155413 [0,0,0,1,0,1|2,0,0]=4 4103 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-2111867079 [0,0,0,1,0,1|2,0,0]=4 4104 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-2486268743 [0,0,0,1,0,1|2,0,0]=4 4105 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-8625619596 [0,0,0,1,0,1|2,0,0]=4 4106 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-1442980635 [0,0,0,1,0,1|2,0,0]=4 4107 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-4854132547 [0,0,0,1,0,1|2,0,0]=4 4108 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-8175631848 [0,0,0,1,0,1|2,0,0]=4 4109 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-9092665787 [0,0,0,1,0,1|2,0,0]=4 4110 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-1212665796 [0,0,0,1,0,1|2,0,0]=4 4111 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2172080185 [0,0,0,1,0,1|2,0,0]=4 4112 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2463066874 [0,0,0,1,0,1|2,0,0]=4 4113 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-7245012102 [0,0,0,1,0,1|2,0,0]=4 4114 B9R1.35 NC1C=CC(C1)C(=O)O MCULE-7513224290 [0,0,0,1,0,1|1,0,1]=4 4115 B9R1.35 NC1C=CC(C1)C(=O)O MCULE-8369262706 [0,0,0,1,0,1|1,0,1]=4 4116 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-7944190057 [0,0,0,1,0,1|1,0,1]=4 4117 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-9202589777 [0,0,0,1,0,1|1,0,1]=4 4118 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,0,0,1,0,1|1,0,0]=3 4119 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,0,0,1,0,1|1,0,0]=3 4120 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [0,0,0,1,0,1|1,0,0]=3 4121 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [0,0,0,1,0,1|1,0,0]=3 4122 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-2058033578 [0,0,0,1,0,1|1,0,1]=4 4123 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-3535904120 [0,0,0,1,0,1|1,0,1]=4 4124 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-7864688668 [0,0,0,1,0,1|1,0,1]=4 4125 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-9488093105 [0,0,0,1,0,1|1,0,1]=4 4126 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,0,0,1,0,1|1,0,0]=3 4127 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,0,0,1,0,1|1,0,0]=3 4128 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,0,0,1,0,1|1,0,0]=3 4129 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,0,0,1,0,1|1,0,0]=3 4130 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,0,0,1,0,1|1,0,0]=3 4131 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,0,0,1,0,1|1,0,0]=3 4132 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,0,0,1,0,1|1,0,0]=3 4133 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,0,0,1,0,1|1,0,0]=3 4134 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [0,0,0,1,0,1|1,0,0]=3 4135 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [0,0,0,1,0,1|1,0,0]=3 4136 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [0,0,0,1,0,1|1,0,0]=3 4137 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [0,0,0,1,0,1|1,0,0]=3 4138 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [0,0,0,1,0,1|1,0,0]=3 4139 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [0,0,0,1,0,1|1,0,0]=3 4140 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [0,0,0,1,0,1|1,0,0]=3 4141 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [0,0,0,1,0,1|1,0,0]=3 4142 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-1866924065 [0,0,0,1,0,1|1,0,1]=4 4143 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-5420586850 [0,0,0,1,0,1|1,0,1]=4 4144 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-6933168017 [0,0,0,1,0,1|1,0,1]=4 4145 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-1923367161 [0,0,0,1,0,1|1,0,1]=4 4146 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-2558762790 [0,0,0,1,0,1|1,0,1]=4 4147 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-2767032719 [0,0,0,1,0,1|1,0,1]=4 4148 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-3230012761 [0,0,0,1,0,1|1,0,1]=4 4149 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-5898455500 [0,0,0,1,0,1|1,0,1]=4 4150 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-8841082803 [0,0,0,1,0,1|1,0,1]=4 4151 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,0,0,1,0,1|1,0,0]=3 4152 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,0,0,1,0,1|1,0,0]=3 4153 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,0,0,1,0,1|1,0,0]=3 4154 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,0,0,1,0,1|1,0,0]=3 4155 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,0,0,1,0,1|1,0,0]=3 4156 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,0,0,1,0,1|1,0,0]=3 4157 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,0,0,1,0,1|1,0,0]=3 4158 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,0,0,1,0,1|1,0,0]=3 4159 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,0,0,1,0,1|1,0,0]=3 4160 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,0,0,1,0,1|1,0,0]=3 4161 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [0,0,0,1,0,1|1,0,0]=3 4162 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [0,0,0,1,0,1|1,0,0]=3 4163 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [0,0,0,1,0,1|1,0,0]=3 4164 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [0,0,0,1,0,1|1,0,0]=3 4165 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [0,0,0,1,0,1|1,0,0]=3 4166 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [0,0,0,1,0,1|1,0,0]=3 4167 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [0,0,0,1,0,1|1,0,0]=3 4168 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [0,0,0,1,0,1|1,0,0]=3 4169 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [0,0,0,1,0,1|1,0,0]=3 4170 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [0,0,0,1,0,1|1,0,1]=4 4171 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [0,0,0,1,0,1|1,0,0]=3 4172 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [0,0,0,1,0,1|1,0,0]=3 4173 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [0,0,0,1,0,1|1,0,0]=3 4174 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,0,0,1,0,1|1,0,0]=3 4175 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,0,0,1,0,1|1,0,0]=3 4176 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [0,0,0,1,0,1|1,0,0]=3 4177 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [0,0,0,1,0,1|1,0,0]=3 4178 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,0,0,1,0,1|1,0,0]=3 4179 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,0,0,1,0,1|1,0,0]=3 4180 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,0,0,1,0,1|1,0,0]=3 4181 B9R1.35 O=C(O)C1OC(CS1)O MCULE-2827262093 [0,0,0,1,0,1|2,0,0]=4 4182 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,0,0,1,0,1|1,0,0]=3 4183 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [0,0,0,1,0,1|1,0,0]=3 4184 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [0,0,0,1,0,1|1,0,0]=3 4185 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,0,0,1,0,1|1,0,0]=3 4186 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,0,0,1,0,1|1,0,0]=3 4187 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,0,0,1,0,1|1,0,0]=3 4188 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [0,0,0,1,0,1|1,0,0]=3 4189 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [0,0,0,1,0,1|1,0,0]=3 4190 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [0,0,0,1,0,1|1,0,0]=3 4191 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [0,0,0,1,0,1|1,0,0]=3 4192 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [0,0,0,1,0,1|1,0,0]=3 4193 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [0,0,0,1,0,1|1,0,0]=3 4194 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,0,0,1,0,1|1,0,0]=3 4195 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,0,0,1,0,1|1,0,0]=3 4196 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,0,0,1,0,1|1,0,0]=3 4197 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,0,0,1,0,1|1,0,0]=3 4198 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,0,0,1,0,1|1,0,0]=3 4199 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [0,0,0,1,0,1|1,0,0]=3 4200 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [0,0,0,1,0,1|1,0,0]=3 4201 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [0,0,0,1,0,1|1,0,0]=3 4202 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [0,0,0,1,0,1|1,0,0]=3 4203 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [0,0,0,1,0,1|1,0,0]=3 4204 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [0,0,0,1,0,1|1,0,0]=3 4205 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [0,0,0,1,0,1|1,0,0]=3 4206 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [0,0,0,1,0,1|1,0,0]=3 4207 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,0,0,1,0,1|1,0,0]=3 4208 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,0,0,1,0,1|1,0,0]=3 4209 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,0,0,1,0,1|1,0,0]=3 4210 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,0,0,1,0,1|1,0,0]=3 4211 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [0,0,0,1,0,1|1,0,0]=3 4212 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [0,0,0,1,0,1|1,0,0]=3 4213 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [0,0,0,1,0,1|1,0,0]=3 4214 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [0,0,0,1,0,1|1,0,0]=3 4215 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [0,0,0,1,0,1|1,0,0]=3 4216 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [0,0,0,1,0,1|1,0,0]=3 4217 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,0,0,1,0,1|1,0,0]=3 4218 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,0,0,1,0,1|1,0,0]=3 4219 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,0,0,1,0,1|1,0,0]=3 4220 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [0,0,0,1,0,1|1,0,0]=3 4221 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [0,0,0,1,0,1|1,0,0]=3 4222 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [0,0,0,1,0,1|1,0,0]=3 4223 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,0,0,1,0,1|1,0,0]=3 4224 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,0,0,1,0,1|1,0,0]=3 4225 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,0,0,1,0,1|1,0,0]=3 4226 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,0,0,1,0,1|1,0,0]=3 4227 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,0,0,1,0,1|1,0,0]=3 4228 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [0,0,0,1,0,1|1,0,0]=3 4229 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [0,0,0,1,0,1|1,0,0]=3 4230 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [0,0,0,1,0,1|1,0,0]=3 4231 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [0,0,0,1,0,1|1,0,0]=3 4232 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,0,0,1,0,1|1,0,0]=3 4233 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,0,0,1,0,1|1,0,0]=3 4234 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,0,0,1,0,1|1,0,0]=3 4235 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,0,0,1,0,1|1,0,0]=3 4236 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [0,0,0,1,0,1|1,0,1]=4 4237 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [0,0,0,1,0,1|1,0,1]=4 4238 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [0,0,0,1,0,1|1,0,1]=4 4239 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,0,0,1,0,1|1,0,1]=4 4240 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,0,0,1,0,1|1,0,1]=4 4241 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,0,0,1,0,1|1,0,1]=4 4242 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,0,0,1,0,1|1,0,1]=4 4243 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,0,0,1,0,1|1,0,1]=4 4244 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,0,0,1,0,1|1,0,1]=4 4245 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,0,0,1,0,1|1,0,1]=4 4246 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,0,0,1,0,1|1,0,1]=4 4247 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,0,0,1,0,1|1,0,1]=4 4248 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,0,0,1,0,1|1,0,1]=4 4249 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,0,0,1,0,1|1,0,1]=4 4250 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,0,0,1,0,1|1,0,1]=4 4251 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,0,0,1,0,1|1,0,1]=4 4252 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [0,0,0,1,0,1|1,0,1]=4 4253 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [0,0,0,1,0,1|1,0,1]=4 4254 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [0,0,0,1,0,1|1,0,1]=4 4255 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [0,0,0,1,0,1|1,0,1]=4 4256 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [0,0,0,1,0,1|1,0,1]=4 4257 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [0,0,0,1,0,1|1,0,1]=4 4258 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,0,0,1,0,1|1,0,0]=3 4259 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,0,0,1,0,1|1,0,0]=3 4260 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,0,0,1,0,1|1,0,0]=3 4261 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)N)F MCULE-2355223336 [0,0,0,1,0,1|2,0,0]=4 4262 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)N)F MCULE-2483830451 [0,0,0,1,0,1|2,0,0]=4 4263 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [0,0,0,1,0,1|1,0,0]=3 4264 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [0,0,0,1,0,1|1,0,0]=3 4265 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [0,0,0,1,0,1|1,0,0]=3 4266 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [0,0,0,1,0,1|1,0,0]=3 4267 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [0,0,0,1,0,1|1,0,0]=3 4268 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,0,0,1,0,1|1,0,0]=3 4269 B9R1.49 CC1CCCC(=O)CC1 MCULE-8026581790 [0,0,0,1,0,1|1,0,0]=3 4270 B9R1.49 CC1CCNC(=O)CC1 MCULE-4158970437 [0,0,0,1,0,1|1,0,0]=3 4271 B9R1.49 CC1CCS(=O)CCN1 MCULE-7910559861 [0,0,0,1,0,1|2,0,0]=4 4272 B9R1.49 CC1CCS(=O)CCN1 MCULE-8997508937 [0,0,0,1,0,1|2,0,0]=4 4273 B9R1.49 CC1CNC(=O)CCN1 MCULE-4770101901 [0,0,0,1,0,1|1,0,0]=3 4274 B9R1.49 CC1CNC(=O)CCN1 MCULE-5299288950 [0,0,0,1,0,1|1,0,0]=3 4275 B9R1.49 CN1CCCC(=O)CC1 MCULE-1607887623 [0,0,0,1,0,1|2,0,0]=4 4276 B9R1.49 CN1CCCC(=O)CC1 MCULE-9380092932 [0,0,0,1,0,1|2,0,0]=4 4277 B9R1.49 CN1CCNC(=O)CC1 MCULE-4386852783 [0,0,0,1,0,1|2,0,0]=4 4278 B9R1.49 CN1CCNC(=O)CC1 MCULE-7599377981 [0,0,0,1,0,1|2,0,0]=4 4279 B9R1.49 NC1CCCC(=O)NC1 MCULE-1344459585 [0,0,0,1,0,1|2,0,0]=4 4280 B9R1.49 NC1CCCC(=O)NC1 MCULE-1546951296 [0,0,0,1,0,1|2,0,0]=4 4281 B9R1.49 NC1CCNC(=O)CC1 MCULE-5608507579 [0,0,0,1,0,1|2,0,0]=4 4282 B9R1.49 NC1CCNC(=O)CC1 MCULE-7880148448 [0,0,0,1,0,1|2,0,0]=4 4283 B9R1.49 O=C1CCCC(CC1)F MCULE-3071750497 [0,0,0,1,0,1|2,0,0]=4 4284 B9R1.49 O=C1CCCC(CN1)O MCULE-2883103344 [0,0,0,1,0,1|2,0,0]=4 4285 B9R1.53 CC(=O)NC1CC(C1)N MCULE-1496549352 [0,0,0,1,0,1|2,0,0]=4 4286 B9R1.53 CC(=O)NC1CC(C1)N MCULE-5377217070 [0,0,0,1,0,1|2,0,0]=4 4287 B9R1.53 CC(=O)NC1CC(C1)N MCULE-5616964162 [0,0,0,1,0,1|2,0,0]=4 4288 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)N MCULE-9021883914 [0,0,0,1,0,1|2,0,0]=4 4289 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)N MCULE-9441277768 [0,0,0,1,0,1|2,0,0]=4 4290 B9R1.53 CC(C)CC1CC(=O)N1 MCULE-7772282181 [0,0,0,1,0,1|1,0,0]=3 4291 B9R1.53 CC(C)CN1CC(C1)O MCULE-5163544895 [0,0,0,1,0,1|1,0,1]=4 4292 B9R1.53 CC(C)CN1CC(C1)O MCULE-8701366577 [0,0,0,1,0,1|1,0,1]=4 4293 B9R1.53 CC(C)OC1CC(=O)C1 MCULE-3913451777 [0,0,0,1,0,1|1,0,0]=3 4294 B9R1.53 CC1CC(C1)CC(=O)O MCULE-1823232756 [0,0,0,1,0,1|0,0,0]=2 4295 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6114587935 [0,0,0,1,0,1|1,0,0]=3 4296 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6524445855 [0,0,0,1,0,1|1,0,0]=3 4297 B9R1.53 NC(=O)CC1CC(C1)N MCULE-4414712655 [0,0,0,1,0,1|2,0,0]=4 4298 B9R1.53 NC(=O)CC1CC(C1)N MCULE-6104457108 [0,0,0,1,0,1|2,0,0]=4 4299 B9R1.53 NC1CC(C1)CC(=O)O MCULE-1535901081 [0,0,0,1,0,1|1,0,0]=3 4300 B9R1.53 NC1CC(C1)CC(=O)O MCULE-4536482207 [0,0,0,1,0,1|1,0,0]=3 4301 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-2333675175 [0,0,0,1,0,1|1,0,0]=3 4302 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-3710409300 [0,0,0,1,0,1|1,0,0]=3 4303 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-1039324799 [0,0,0,1,0,1|1,0,0]=3 4304 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-3309485111 [0,0,0,1,0,1|1,0,0]=3 4305 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [0,0,0,1,0,1|1,0,1]=4 4306 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [0,0,0,1,0,1|1,0,1]=4 4307 B9R1.53 O=C(O)CC1CC(C1)F MCULE-2736771844 [0,0,0,1,0,1|1,0,0]=3 4308 B9R1.66 CC1(CC(=O)CCN1)C MCULE-7066435466 [0,0,0,1,0,1|1,0,0]=3 4309 B9R1.66 CC1(CC(=O)CCN1)C MCULE-7610772996 [0,0,0,1,0,1|1,0,0]=3 4310 B9R1.66 CC1(CC(=O)CCO1)C MCULE-8996731620 [0,0,0,1,0,1|1,0,0]=3 4311 B9R1.66 CC1(CC(CCN1)O)C MCULE-2419149405 [0,0,0,1,0,1|1,0,1]=4 4312 B9R1.66 CC1(CC(CCN1)O)C MCULE-7717195334 [0,0,0,1,0,1|1,0,1]=4 4313 B9R1.66 CC1(CC(CCO1)O)C MCULE-2938869680 [0,0,0,1,0,1|1,0,1]=4 4314 B9R1.66 CC1(CC=CC(=O)C1)C MCULE-3774162320 [0,0,0,1,0,1|1,0,1]=4 4315 B9R1.66 CC1(CCCC(=O)C1)C MCULE-5947496314 [0,0,0,1,0,1|1,0,0]=3 4316 B9R1.66 CC1(CCCC(=O)N1)C MCULE-9506005736 [0,0,0,1,0,1|1,0,0]=3 4317 B9R1.66 CC1(CCCC(C1)O)C MCULE-3782371278 [0,0,0,1,0,1|1,0,1]=4 4318 B9R1.66 CC1(CCNC(=O)C1)C MCULE-5703517542 [0,0,0,1,0,1|1,0,0]=3 4319 B9R1.66 CC1(CCOC(=O)C1)C MCULE-4727187858 [0,0,0,1,0,1|1,0,0]=3 4320 B9R1.66 CC1(CCOC(=O)C1)O MCULE-5265065779 [0,0,0,1,0,1|2,0,0]=4 4321 B9R1.66 CC1(CCOS(=O)O1)C MCULE-7552644708 [0,0,0,1,0,1|1,0,0]=3 4322 B9R1.66 CC1(CNCC(=O)N1)C MCULE-1640277430 [0,0,0,1,0,1|1,0,0]=3 4323 B9R1.66 CC1(CNCC(=O)N1)C MCULE-6894196220 [0,0,0,1,0,1|1,0,0]=3 4324 B9R1.66 CC1(COCC(=O)C1)C MCULE-9899246450 [0,0,0,1,0,1|1,0,0]=3 4325 B9R1.66 CC1(COCC(=O)N1)C MCULE-4764218630 [0,0,0,1,0,1|1,0,0]=3 4326 B9R1.66 CC1(CS(=O)CCN1)C MCULE-8669500373 [0,0,0,1,0,1|2,0,0]=4 4327 B9R1.66 CC1(CSCC(=O)C1)C MCULE-2479165636 [0,0,0,1,0,1|1,0,0]=3 4328 B9R1.66 CC1CC(CCN1)(C)O MCULE-1481375407 [0,0,0,1,0,1|1,0,1]=4 4329 B9R1.66 CC1CNCC(O1)(C)C MCULE-6563845081 [0,0,0,1,0,1|1,0,1]=4 4330 B9R1.66 CC1CS(=O)(=O)CCN1 MCULE-2800774610 [0,0,0,1,0,1|1,0,1]=4 4331 B9R1.66 CC1CS(=O)(=O)CCN1 MCULE-5665116086 [0,0,0,1,0,1|1,0,1]=4 4332 B9R1.66 C[C@]1(CCOC(=O)C1)O MCULE-9416165586 [0,0,0,1,0,1|2,0,0]=4 4333 B9R1.85 CC(C)COCC1CO1 MCULE-1849507011 [0,0,0,1,0,1|1,0,1]=4 4334 B9R1.85 CC(C)OCCC1CO1 MCULE-9195827822 [0,0,0,1,0,1|1,0,1]=4 4335 B9R1.85 NC(=S)NCCC1CC1 MCULE-2774330420 [0,0,0,1,0,1|1,1,0]=4 4336 B9R1.85 O=C(O)C=CNC1CC1 MCULE-9239525404 [0,0,0,1,0,1|0,0,2]=4 4337 B9R1.85 O=C(O)CCCC1CC1 MCULE-4019156455 [0,0,0,1,0,1|0,0,0]=2 4338 B9R1.85 O=C(O)CCNC1CC1 MCULE-2302148090 [0,0,0,1,0,1|0,0,0]=2 4339 B9R1.85 O=C(O)CCNC1CC1 MCULE-5027011962 [0,0,0,1,0,1|0,0,0]=2 4340 B9R1.85 O=C(O)CCOC1CC1 MCULE-6940104376 [0,0,0,1,0,1|0,0,0]=2 4341 B9R1.85 O=C(O)CCSC1CC1 MCULE-5319803876 [0,0,0,1,0,1|0,0,0]=2 4342 B9R1.85 O=C(O)CNCC1CC1 MCULE-2914571109 [0,0,0,1,0,1|0,0,0]=2 4343 B9R1.85 O=C(O)CNCC1CC1 MCULE-8479764724 [0,0,0,1,0,1|0,0,0]=2 4344 B9R1.85 O=C(O)COCC1CC1 MCULE-1838251623 [0,0,0,1,0,1|0,0,0]=2 4345 B9R1.85 O=C(O)CSCC1CC1 MCULE-7765855577 [0,0,0,1,0,1|0,0,0]=2 4346 B9R1.150 CC1(CCNS1(=O)=O)C MCULE-6535067319 [0,0,0,1,0,1|1,0,1]=4 4347 B9R1.161 CC(C)C1CC1C(=O)O MCULE-4298027549 [0,0,0,1,0,1|0,0,0]=2 4348 B9R1.161 O=C(O)C1CC1C(F)F MCULE-6859776096 [0,0,0,1,0,1|2,0,0]=4 4349 B9R1.161 O=C(O)[C@@H]1C[C@@H]1C(F)F MCULE-4810792751 [0,0,0,1,0,1|2,0,0]=4 4350 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F MCULE-1011454400 [0,0,0,1,0,1|2,0,0]=4 4351 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F MCULE-8959639977 [0,0,0,1,0,1|2,0,0]=4 4352 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F MCULE-4761495090 [0,0,0,1,0,1|2,0,0]=4 4353 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F MCULE-9106908377 [0,0,0,1,0,1|2,0,0]=4 4354 B9R1.161 O=C(O)[C@H]1C[C@H]1C(F)F MCULE-9137583199 [0,0,0,1,0,1|2,0,0]=4 4355 B9R1.166 C1(NCC1(C)C)C(=O)O MCULE-8091738282 [0,0,0,1,0,1|0,0,0]=2 4356 B9R1.166 CC1(CCC1C(=O)O)C MCULE-4099946993 [0,0,0,1,0,1|0,0,0]=2 4357 B9R1.166 CC1(CNC1C(=O)O)C MCULE-8386082188 [0,0,0,1,0,1|0,0,0]=2 4358 B9R1.166 CC1(CNC1C(=O)O)C MCULE-9067770862 [0,0,0,1,0,1|0,0,0]=2 4359 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-3707363843 [0,0,0,1,0,1|0,0,0]=2 4360 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-5671349948 [0,0,0,1,0,1|0,0,0]=2 4361 B9R1.166 CC1(CN[C@H]1C(=O)O)C MCULE-3480839319 [0,0,0,1,0,1|0,0,0]=2 4362 B9R1.166 O=C(O)C1CCC1(F)F MCULE-5646109920 [0,0,0,1,0,1|2,0,0]=4 4363 B9R1.166 O=C(O)[C@@H]1CCC1(F)F MCULE-1777760238 [0,0,0,1,0,1|2,0,0]=4 4364 B9R1.166 O=C(O)[C@H]1CCC1(F)F MCULE-9140397233 [0,0,0,1,0,1|2,0,0]=4 4365 B9R1.170 CC1(CC1CC(=O)O)C MCULE-4662857705 [0,0,0,1,0,1|0,0,0]=2 4366 B9R1.170 O=C(O)CC1CC1(Cl)Cl MCULE-1943383074 [0,0,0,1,0,1|2,0,0]=4 4367 B9R1.170 O=C(O)CC1CC1(F)F MCULE-4535964880 [0,0,0,1,0,1|2,0,0]=4 4368 B9R1.170 O=C(O)C[C@H]1CC1(F)F MCULE-7984243726 [0,0,0,1,0,1|2,0,0]=4 4369 B9R1.1 C#CC1CCC(=O)CC1 MCULE-3898335754 [0,1,0,1,0,0|1,0,1]=4 4370 B9R1.1 C=C1CCC(CC1)CBr MCULE-5672551682 [0,1,0,1,0,0|2,0,0]=4 4371 B9R1.1 C=C1CCC(CC1)CN MCULE-1955200336 [0,1,0,1,0,0|2,0,0]=4 4372 B9R1.1 C=C1CCC(CC1)CN MCULE-9788548947 [0,1,0,1,0,0|2,0,0]=4 4373 B9R1.1 C=C1CCC(CC1)CO MCULE-2073650564 [0,1,0,1,0,0|2,0,0]=4 4374 B9R1.1 CC1=CCC(CC1)CO MCULE-6377131123 [0,1,0,1,0,0|2,0,0]=4 4375 B9R1.1 CC1CCC(=CBr)CC1 MCULE-5410482282 [0,1,0,1,0,0|2,0,0]=4 4376 B9R1.1 CC1CCC(=NO)CC1 MCULE-2071848184 [0,1,0,1,0,0|1,0,0]=3 4377 B9R1.1 CC1CCC(CC1)C=O MCULE-9251304568 [0,1,0,1,0,0|1,0,1]=4 4378 B9R1.1 CC1CCC(CC1)CO MCULE-4775289633 [0,1,0,1,0,0|1,0,1]=4 4379 B9R1.1 CC1CCC(NC1)CO MCULE-3943626768 [0,1,0,1,0,0|1,0,1]=4 4380 B9R1.1 CC1CCC(NC1)CO MCULE-6105965267 [0,1,0,1,0,0|1,0,1]=4 4381 B9R1.1 CCC1CCC(=O)CC1 MCULE-4419010963 [0,1,0,1,0,0|1,0,0]=3 4382 B9R1.1 CCC1CCC(CC1)O MCULE-8097752772 [0,1,0,1,0,0|1,0,1]=4 4383 B9R1.1 CCN1CCC(=O)CC1 MCULE-7687588927 [0,1,0,1,0,0|2,0,0]=4 4384 B9R1.1 CC[C@H]1CC[C@@H](CC1)O MCULE-2707983247 [0,1,0,1,0,0|1,0,1]=4 4385 B9R1.1 CC[C@H]1CC[C@H](CC1)O MCULE-2491233696 [0,1,0,1,0,0|1,0,1]=4 4386 B9R1.1 CN1CC=C(CC1)CO MCULE-2641317865 [0,1,0,1,0,0|2,0,0]=4 4387 B9R1.1 CN1CCC(=NO)CC1 MCULE-6168727500 [0,1,0,1,0,0|2,0,0]=4 4388 B9R1.1 CN1CCC(=NO)CC1 MCULE-8106763886 [0,1,0,1,0,0|2,0,0]=4 4389 B9R1.1 CNC1CCC(=O)CC1 MCULE-1156128032 [0,1,0,1,0,0|1,0,0]=3 4390 B9R1.1 CNC1CCC(=O)CC1 MCULE-3156763747 [0,1,0,1,0,0|1,0,0]=3 4391 B9R1.1 CNC1CCC(CC1)O MCULE-4830228871 [0,1,0,1,0,0|1,0,1]=4 4392 B9R1.1 CNC1CCC(CC1)O MCULE-6477610530 [0,1,0,1,0,0|1,0,1]=4 4393 B9R1.1 CNC1CCS(=O)CC1 MCULE-4432912107 [0,1,0,1,0,0|2,0,0]=4 4394 B9R1.1 CNC1CCS(=O)CC1 MCULE-4639491933 [0,1,0,1,0,0|2,0,0]=4 4395 B9R1.1 CN[C@H]1CC[C@@H](CC1)O MCULE-1022113223 [0,1,0,1,0,0|1,0,1]=4 4396 B9R1.1 CN[C@H]1CC[C@@H](CC1)O MCULE-1356433778 [0,1,0,1,0,0|1,0,1]=4 4397 B9R1.1 CN[C@H]1CC[C@H](CC1)O MCULE-1490699426 [0,1,0,1,0,0|1,0,1]=4 4398 B9R1.1 CN[C@H]1CC[C@H](CC1)O MCULE-7508857663 [0,1,0,1,0,0|1,0,1]=4 4399 B9R1.1 COC1=CCC(CC1)O MCULE-8647551052 [0,1,0,1,0,0|2,0,0]=4 4400 B9R1.1 COC1CCC(=O)CC1 MCULE-7787037916 [0,1,0,1,0,0|1,0,0]=3 4401 B9R1.1 COC1CCC(CC1)C MCULE-7339052202 [0,1,0,1,0,0|1,0,1]=4 4402 B9R1.1 COC1CCC(CC1)O MCULE-7486081080 [0,1,0,1,0,0|1,0,1]=4 4403 B9R1.1 CON1CCC(=O)CC1 MCULE-8882974205 [0,1,0,1,0,0|2,0,0]=4 4404 B9R1.1 CO[C@H]1CC[C@@H](CC1)O MCULE-6913861887 [0,1,0,1,0,0|1,0,1]=4 4405 B9R1.1 C[C@H]1CC[C@@H](CC1)C=O MCULE-9199101836 [0,1,0,1,0,0|1,0,1]=4 4406 B9R1.1 C[C@H]1CC[C@@H](CC1)CO MCULE-1712721816 [0,1,0,1,0,0|1,0,1]=4 4407 B9R1.1 C[C@H]1CC[C@H](CC1)CO MCULE-8606500963 [0,1,0,1,0,0|1,0,1]=4 4408 B9R1.1 N#CC1CCC(=O)CC1 MCULE-5959451916 [0,1,0,1,0,0|1,0,1]=4 4409 B9R1.1 NCC1CCC(=O)CC1 MCULE-6777974410 [0,1,0,1,0,0|1,0,0]=3 4410 B9R1.1 NCC1CCC(=O)CC1 MCULE-8440793392 [0,1,0,1,0,0|1,0,0]=3 4411 B9R1.1 NCC1CCC(=O)NC1 MCULE-5893065665 [0,1,0,1,0,0|1,0,0]=3 4412 B9R1.1 NCC1CCC(=O)NC1 MCULE-9881642861 [0,1,0,1,0,0|1,0,0]=3 4413 B9R1.1 NCC1CCC(CC1)O MCULE-1773102107 [0,1,0,1,0,0|1,0,1]=4 4414 B9R1.1 NCC1CCC(CC1)O MCULE-3605496824 [0,1,0,1,0,0|1,0,1]=4 4415 B9R1.1 NCC1CNC(=O)CO1 MCULE-1373630821 [0,1,0,1,0,0|2,0,0]=4 4416 B9R1.1 NCC1CNC(=O)CO1 MCULE-2564136433 [0,1,0,1,0,0|2,0,0]=4 4417 B9R1.1 NC[C@H]1CCC(=O)NC1 MCULE-9489755430 [0,1,0,1,0,0|1,0,0]=3 4418 B9R1.1 NC[C@H]1CC[C@@H](CC1)O MCULE-3725371515 [0,1,0,1,0,0|1,0,1]=4 4419 B9R1.1 NC[C@H]1CC[C@@H](CC1)O MCULE-3796180406 [0,1,0,1,0,0|1,0,1]=4 4420 B9R1.1 NC[C@H]1CC[C@H](CC1)O MCULE-6015230551 [0,1,0,1,0,0|1,0,1]=4 4421 B9R1.1 NC[C@H]1CC[C@H](CC1)O MCULE-9189660845 [0,1,0,1,0,0|1,0,1]=4 4422 B9R1.1 O=C1CCC(CC1)CBr MCULE-8223349080 [0,1,0,1,0,0|1,0,0]=3 4423 B9R1.1 O=C1CCC(CC1)CF MCULE-2139942920 [0,1,0,1,0,0|1,0,0]=3 4424 B9R1.1 O=C1CCC(CC1)CO MCULE-4178685012 [0,1,0,1,0,0|1,0,0]=3 4425 B9R1.1 O=C1CCC(CN1)CBr MCULE-4686085649 [0,1,0,1,0,0|1,0,0]=3 4426 B9R1.1 O=C1CCC(CN1)CO MCULE-5019571847 [0,1,0,1,0,0|1,0,0]=3 4427 B9R1.1 O=C1CNC(CN1)CF MCULE-3284861757 [0,1,0,1,0,0|2,0,0]=4 4428 B9R1.1 O=C1COC(CN1)CBr MCULE-8897613695 [0,1,0,1,0,0|2,0,0]=4 4429 B9R1.1 O=C1COC(CN1)CO MCULE-3703451145 [0,1,0,1,0,0|2,0,0]=4 4430 B9R1.1 O=C1COC(CN1)CO MCULE-5925278805 [0,1,0,1,0,0|2,0,0]=4 4431 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-1871269946 [0,1,0,1,0,0|2,0,0]=4 4432 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-9723228936 [0,1,0,1,0,0|2,0,0]=4 4433 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-2317836867 [0,1,0,1,0,0|2,0,0]=4 4434 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-9180023061 [0,1,0,1,0,0|2,0,0]=4 4435 B9R1.1 O=C1NCC(CN1)CO MCULE-7349716251 [0,1,0,1,0,0|2,0,0]=4 4436 B9R1.1 O=CC1CCC(=O)CC1 MCULE-3607149578 [0,1,0,1,0,0|1,0,1]=4 4437 B9R1.1 OC1CCC(CC1)CCl MCULE-3310167491 [0,1,0,1,0,0|1,0,1]=4 4438 B9R1.1 OCC1CCC(CC1)O MCULE-2821884453 [0,1,0,1,0,0|1,0,1]=4 4439 B9R1.1 OC[C@H]1CC[C@@H](CC1)O MCULE-4903112146 [0,1,0,1,0,0|1,0,1]=4 4440 B9R1.1 OC[C@H]1CC[C@H](CC1)O MCULE-5364161264 [0,1,0,1,0,0|1,0,1]=4 4441 B9R1.10 C=C1CCC(CC1)(C)C MCULE-6725048489 [0,1,0,1,0,0|2,0,0]=4 4442 B9R1.10 CC1(C=CC(=O)CC1)C MCULE-5124770449 [0,1,0,1,0,0|1,0,0]=3 4443 B9R1.10 CC1(CC=C(CC1)Br)C MCULE-3834862289 [0,1,0,1,0,0|2,0,0]=4 4444 B9R1.10 CC1(CCC(=O)CC1)C MCULE-3284069816 [0,1,0,1,0,0|1,0,0]=3 4445 B9R1.10 CC1(CCC(=O)CC1)F MCULE-9421002041 [0,1,0,1,0,0|1,0,0]=3 4446 B9R1.10 CC1(CCC(=O)CC1)N MCULE-5485763382 [0,1,0,1,0,0|1,0,0]=3 4447 B9R1.10 CC1(CCC(=O)CC1)N MCULE-5566670089 [0,1,0,1,0,0|1,0,0]=3 4448 B9R1.10 CC1(CCC(=O)CC1)O MCULE-2229659445 [0,1,0,1,0,0|1,0,0]=3 4449 B9R1.10 CC1(CCC(=O)NC1)C MCULE-9831115400 [0,1,0,1,0,0|1,0,0]=3 4450 B9R1.10 CC1(CCC(=O)NC1)O MCULE-7575084639 [0,1,0,1,0,0|1,0,0]=3 4451 B9R1.10 CC1(CCC(CC1)O)C MCULE-7277990161 [0,1,0,1,0,0|1,0,1]=4 4452 B9R1.10 CC1(CCC(CC1)O)N MCULE-1833594604 [0,1,0,1,0,0|1,0,1]=4 4453 B9R1.10 CC1(CCC(CC1)O)N MCULE-6900445969 [0,1,0,1,0,0|1,0,1]=4 4454 B9R1.10 CC1(CCC(CC1)O)O MCULE-9281543263 [0,1,0,1,0,0|1,0,1]=4 4455 B9R1.10 CC1(CCC(CO1)N)C MCULE-4655676422 [0,1,0,1,0,0|1,0,1]=4 4456 B9R1.10 CC1(CNC(=O)CN1)C MCULE-9513973165 [0,1,0,1,0,0|2,0,0]=4 4457 B9R1.10 CC1(CNC(=O)CO1)C MCULE-8027766035 [0,1,0,1,0,0|1,0,0]=3 4458 B9R1.10 CC1(COC(=O)OC1)C MCULE-7387597557 [0,1,0,1,0,0|1,0,0]=3 4459 B9R1.10 CC1(COS(=O)OC1)C MCULE-5147039182 [0,1,0,1,0,0|2,0,0]=4 4460 B9R1.10 CC1(OCC(=O)CO1)C MCULE-4531040287 [0,1,0,1,0,0|1,0,0]=3 4461 B9R1.10 CC1=CCC(CC1)(C)N MCULE-5027299304 [0,1,0,1,0,0|2,0,0]=4 4462 B9R1.10 CC1=CCC(CC1)(C)N MCULE-6100124607 [0,1,0,1,0,0|2,0,0]=4 4463 B9R1.10 C[C@@]1(CC[C@@H](CC1)O)N MCULE-3087940747 [0,1,0,1,0,0|1,0,1]=4 4464 B9R1.10 C[C@@]1(CC[C@@H](CC1)O)N MCULE-7156866787 [0,1,0,1,0,0|1,0,1]=4 4465 B9R1.10 C[C@@]1(CC[C@@H](CC1)O)O MCULE-9357645329 [0,1,0,1,0,0|1,0,1]=4 4466 B9R1.10 C[C@@]1(CC[C@H](CC1)O)N MCULE-3485238443 [0,1,0,1,0,0|1,0,1]=4 4467 B9R1.10 C[C@@]1(CC[C@H](CC1)O)N MCULE-9383956927 [0,1,0,1,0,0|1,0,1]=4 4468 B9R1.10 C[C@@]1(CC[C@H](CC1)O)O MCULE-8566504105 [0,1,0,1,0,0|1,0,1]=4 4469 B9R1.10 C[N+]1(CCC(=O)CC1)C MCULE-4233939262 [0,1,0,1,0,0|2,0,0]=4 4470 B9R1.10 C[N+]1(CCC(=O)CC1)C MCULE-6424774965 [0,1,0,1,0,0|2,0,0]=4 4471 B9R1.10 C[Si]1(CCC(=O)CC1)C MCULE-5205216597 [0,1,0,1,0,0|1,1,0]=4 4472 B9R1.10 O=C1CCC(CC1)(F)F MCULE-2540374051 [0,1,0,1,0,0|2,0,0]=4 4473 B9R1.10 O=C1CCC(CN1)(F)F MCULE-5822819851 [0,1,0,1,0,0|2,0,0]=4 4474 B9R1.55 CN1CC(C1=O)C(=O)O MCULE-5592777830 [0,1,0,1,0,0|1,0,1]=4 4475 B9R1.67 CC(O)CC1CCC1=O MCULE-5157418140 [0,1,0,1,0,0|2,0,0]=4 4476 B9R1.69 C1(CN(C(=O)CN1)C)C MCULE-2356694893 [0,1,0,1,0,0|2,0,0]=4 4477 B9R1.69 C1(CN(C(=O)CN1)C)C MCULE-3701241538 [0,1,0,1,0,0|2,0,0]=4 4478 B9R1.69 CC1CC(=O)CCC1O MCULE-7552412875 [0,1,0,1,0,0|2,0,0]=4 4479 B9R1.69 CC1CC(=O)CCN1C MCULE-7342530598 [0,1,0,1,0,0|2,0,0]=4 4480 B9R1.69 CC1CC(CCC1=O)O MCULE-4154713632 [0,1,0,1,0,0|2,0,0]=4 4481 B9R1.69 CC1CCC(=O)C(C1)C MCULE-3520631102 [0,1,0,1,0,0|1,0,0]=3 4482 B9R1.69 CC1CCC(=O)C=C1O MCULE-7850328397 [0,1,0,1,0,0|1,0,1]=4 4483 B9R1.69 CC1CCC(=O)CC1=O MCULE-6498795822 [0,1,0,1,0,0|1,0,1]=4 4484 B9R1.69 CC1CCC(=O)CC1C MCULE-5304188182 [0,1,0,1,0,0|1,0,0]=3 4485 B9R1.69 CC1CCC(=O)N(C1)C MCULE-1335993518 [0,1,0,1,0,0|1,0,0]=3 4486 B9R1.69 CC1CCC(=O)NC1=O MCULE-4999120435 [0,1,0,1,0,0|1,0,1]=4 4487 B9R1.69 CC1CCC(C(=O)C1)C MCULE-1189470004 [0,1,0,1,0,0|1,0,1]=4 4488 B9R1.69 CC1CCC(C(C1)C)O MCULE-1958135453 [0,1,0,1,0,0|1,0,1]=4 4489 B9R1.69 CC1CCC(C(C1)O)C MCULE-8174479267 [0,1,0,1,0,0|1,0,1]=4 4490 B9R1.69 CC1CCC(CC1C)O MCULE-6171532647 [0,1,0,1,0,0|1,0,1]=4 4491 B9R1.69 CC1CN(C(=O)CN1)C MCULE-1635332237 [0,1,0,1,0,0|2,0,0]=4 4492 B9R1.69 CC1CN(C(=O)CN1)C MCULE-9918100238 [0,1,0,1,0,0|2,0,0]=4 4493 B9R1.69 CC1CN(CCC1=O)C MCULE-2657347941 [0,1,0,1,0,0|2,0,0]=4 4494 B9R1.69 CC1CNC(=O)C(N1)C MCULE-6975048213 [0,1,0,1,0,0|2,0,0]=4 4495 B9R1.69 CC1CNC(=O)C(O1)C MCULE-2957841626 [0,1,0,1,0,0|2,0,0]=4 4496 B9R1.69 CC1CNC(=O)CC1=O MCULE-2909713030 [0,1,0,1,0,0|1,0,1]=4 4497 B9R1.69 CC1CNC(=O)N(C1)C MCULE-1002866130 [0,1,0,1,0,0|2,0,0]=4 4498 B9R1.69 CC1NC(=O)CCC1N MCULE-2884344617 [0,1,0,1,0,0|2,0,0]=4 4499 B9R1.69 CC1NC(=O)CCC1O MCULE-3879531993 [0,1,0,1,0,0|2,0,0]=4 4500 B9R1.69 CC1SCC(=O)OC1=O MCULE-4179176992 [0,1,0,1,0,0|1,0,1]=4 4501 B9R1.69 CN1CC(CCC1=O)N MCULE-3963982685 [0,1,0,1,0,0|2,0,0]=4 4502 B9R1.69 CN1CC(CCC1=O)N MCULE-5748915949 [0,1,0,1,0,0|2,0,0]=4 4503 B9R1.69 CN1CC(CCC1=O)N MCULE-6364341404 [0,1,0,1,0,0|2,0,0]=4 4504 B9R1.69 CN1CC(CCC1=O)O MCULE-4021195315 [0,1,0,1,0,0|2,0,0]=4 4505 B9R1.69 CN1CCC(=O)C(C1)F MCULE-7137645519 [0,1,0,1,0,0|2,0,0]=4 4506 B9R1.69 CN1C[C@@H](CCC1=O)N MCULE-5278708810 [0,1,0,1,0,0|2,0,0]=4 4507 B9R1.69 CN1C[C@H](CCC1=O)N MCULE-3815293463 [0,1,0,1,0,0|2,0,0]=4 4508 B9R1.69 CN1C[C@H](CCC1=O)N MCULE-7566756339 [0,1,0,1,0,0|2,0,0]=4 4509 B9R1.69 CN1C[C@H](CCC1=O)N MCULE-7777098063 [0,1,0,1,0,0|2,0,0]=4 4510 B9R1.69 CN1C[C@H](CCC1=O)N MCULE-8273332398 [0,1,0,1,0,0|2,0,0]=4 4511 B9R1.69 C[C@@H]1CC(=O)CC[C@@H]1O MCULE-8675773780 [0,1,0,1,0,0|2,0,0]=4 4512 B9R1.69 C[C@@H]1CN(C(=O)CN1)C MCULE-2129533322 [0,1,0,1,0,0|2,0,0]=4 4513 B9R1.69 C[C@@H]1CN(C(=O)CN1)C MCULE-8004080888 [0,1,0,1,0,0|2,0,0]=4 4514 B9R1.69 C[C@@H]1CN(C(=O)CN1)C MCULE-9037698900 [0,1,0,1,0,0|2,0,0]=4 4515 B9R1.69 C[C@@H]1CN(C(=O)CN1)C MCULE-9720822564 [0,1,0,1,0,0|2,0,0]=4 4516 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C MCULE-4462883144 [0,1,0,1,0,0|2,0,0]=4 4517 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C MCULE-9377847168 [0,1,0,1,0,0|2,0,0]=4 4518 B9R1.69 C[C@H]1CC(=O)CC[C@@H]1O MCULE-5873948412 [0,1,0,1,0,0|2,0,0]=4 4519 B9R1.69 C[C@H]1CN(C(=O)CN1)C MCULE-4896108356 [0,1,0,1,0,0|2,0,0]=4 4520 B9R1.69 C[C@H]1CN(C(=O)CN1)C MCULE-5475453456 [0,1,0,1,0,0|2,0,0]=4 4521 B9R1.69 C[C@H]1CN(C(=O)CN1)C MCULE-7299064277 [0,1,0,1,0,0|2,0,0]=4 4522 B9R1.69 C[C@H]1CN(C(=O)CN1)C MCULE-8058687833 [0,1,0,1,0,0|2,0,0]=4 4523 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C MCULE-1324686247 [0,1,0,1,0,0|2,0,0]=4 4524 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C MCULE-6430136160 [0,1,0,1,0,0|2,0,0]=4 4525 B9R1.69 N[C@H]1C[C@H](CNC1=O)O MCULE-9955363059 [0,1,0,1,0,0|2,0,0]=4 4526 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [0,1,0,1,0,0|1,0,1]=4 4527 B9R1.80 COC(=O)/C=C/C1CC1 MCULE-1092004421 [0,1,0,1,0,0|0,0,2]=4 4528 B9R1.80 COC(=O)C#CC1CC1 MCULE-2423537926 [0,1,0,1,0,0|0,0,2]=4 4529 B9R1.80 COC(=O)C=CC1CC1 MCULE-6495899864 [0,1,0,1,0,0|0,0,2]=4 4530 B9R1.80 COC(=O)CCC1CO1 MCULE-7910688500 [0,1,0,1,0,0|1,0,0]=3 4531 B9R1.80 COC(=O)CNC1CC1 MCULE-9357505044 [0,1,0,1,0,0|1,0,0]=3 4532 B9R1.80 COC(=O)CNC1CC1 MCULE-9589370378 [0,1,0,1,0,0|1,0,0]=3 4533 B9R1.80 NCC(=O)OCC1CC1 MCULE-1976246933 [0,1,0,1,0,0|2,0,0]=4 4534 B9R1.80 NCC(=O)OCC1CC1 MCULE-6257043919 [0,1,0,1,0,0|2,0,0]=4 4535 B9R1.80 NNC(=O)NCC1CC1 MCULE-2209549262 [0,1,0,1,0,0|2,0,0]=4 4536 B9R1.80 O=C(CBr)NCC1CC1 MCULE-2096299098 [0,1,0,1,0,0|2,0,0]=4 4537 B9R1.80 O=C(CCl)NCC1CC1 MCULE-7926298649 [0,1,0,1,0,0|2,0,0]=4 4538 B9R1.82 C=C1CC(C1)C(=O)OC MCULE-8011797750 [0,1,0,1,0,0|0,0,2]=4 4539 B9R1.82 CNC(=O)C1CC(C1)O MCULE-1529186751 [0,1,0,1,0,0|2,0,0]=4 4540 B9R1.82 CNC(=O)[C@H]1C[C@@H](C1)N MCULE-3215603880 [0,1,0,1,0,0|2,0,0]=4 4541 B9R1.82 CNC(=O)[C@H]1C[C@@H](C1)N MCULE-3341472859 [0,1,0,1,0,0|2,0,0]=4 4542 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)N MCULE-3774449818 [0,1,0,1,0,0|2,0,0]=4 4543 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)N MCULE-8074211920 [0,1,0,1,0,0|2,0,0]=4 4544 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O MCULE-8028192648 [0,1,0,1,0,0|2,0,0]=4 4545 B9R1.82 COC(=O)C1CC(=O)C1 MCULE-8671943269 [0,1,0,1,0,0|1,0,1]=4 4546 B9R1.82 COC(=O)C1CC(C1)Br MCULE-6919888743 [0,1,0,1,0,0|1,0,0]=3 4547 B9R1.82 COC(=O)C1CC(C1)C MCULE-6294133796 [0,1,0,1,0,0|0,0,0]=2 4548 B9R1.82 COC(=O)C1CC(C1)Cl MCULE-6335137966 [0,1,0,1,0,0|1,0,0]=3 4549 B9R1.82 COC(=O)C1CC(C1)F MCULE-7350931097 [0,1,0,1,0,0|1,0,0]=3 4550 B9R1.82 COC(=O)C1CC(C1)I MCULE-7700167011 [0,1,0,1,0,0|1,0,0]=3 4551 B9R1.82 COC(=O)C1CC(C1)N MCULE-6848727495 [0,1,0,1,0,0|1,0,0]=3 4552 B9R1.82 COC(=O)C1CC(C1)N MCULE-7901580981 [0,1,0,1,0,0|1,0,0]=3 4553 B9R1.82 COC(=O)C1CC(C1)O MCULE-3261368737 [0,1,0,1,0,0|1,0,0]=3 4554 B9R1.82 COC(=O)N1CC(C1)N MCULE-3368044261 [0,1,0,1,0,0|2,0,0]=4 4555 B9R1.82 COC(=O)N1CC(C1)N MCULE-7551675210 [0,1,0,1,0,0|2,0,0]=4 4556 B9R1.82 COC(=O)N1CC(C1)O MCULE-1842609121 [0,1,0,1,0,0|2,0,0]=4 4557 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)Br MCULE-9276010203 [0,1,0,1,0,0|1,0,0]=3 4558 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N MCULE-7126562831 [0,1,0,1,0,0|1,0,0]=3 4559 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N MCULE-9087679760 [0,1,0,1,0,0|1,0,0]=3 4560 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)O MCULE-8119011760 [0,1,0,1,0,0|1,0,0]=3 4561 B9R1.82 COC(=O)[C@H]1C[C@H](C1)N MCULE-1208738380 [0,1,0,1,0,0|1,0,0]=3 4562 B9R1.82 COC(=O)[C@H]1C[C@H](C1)N MCULE-4735817474 [0,1,0,1,0,0|1,0,0]=3 4563 B9R1.82 COC(=O)[C@H]1C[C@H](C1)O MCULE-5931352731 [0,1,0,1,0,0|1,0,0]=3 4564 B9R1.82 N/C(=N\O)/C1CC(C1)O MCULE-5026357649 [0,1,0,1,0,0|2,0,0]=4 4565 B9R1.84 CC(=O)NCC1CNC1 MCULE-2902079896 [0,1,0,1,0,0|2,0,0]=4 4566 B9R1.84 CC(=O)NCC1CNC1 MCULE-8064528419 [0,1,0,1,0,0|2,0,0]=4 4567 B9R1.84 O=C(O)/C=C/C1CCC1 MCULE-9431961317 [0,1,0,1,0,0|0,0,2]=4 4568 B9R1.84 O=C(O)C#CC1CCC1 MCULE-8110230761 [0,1,0,1,0,0|0,0,2]=4 4569 B9R1.84 O=C(O)C=CC1CCC1 MCULE-9173078337 [0,1,0,1,0,0|0,0,2]=4 4570 B9R1.84 O=C(O)CCC1CCC1 MCULE-5780532364 [0,1,0,1,0,0|0,0,0]=2 4571 B9R1.84 O=C(O)CCN1CCC1 MCULE-6537917818 [0,1,0,1,0,0|1,0,0]=3 4572 B9R1.84 O=C(O)CNC1CCC1 MCULE-3999560243 [0,1,0,1,0,0|1,0,0]=3 4573 B9R1.84 O=C(O)CNC1COC1 MCULE-3211874256 [0,1,0,1,0,0|1,0,0]=3 4574 B9R1.84 O=C(O)CNC1COC1 MCULE-8317257994 [0,1,0,1,0,0|1,0,0]=3 4575 B9R1.84 O=C(O)COC1CCC1 MCULE-3354883487 [0,1,0,1,0,0|1,0,0]=3 4576 B9R1.84 O=C(O)COC1CNC1 MCULE-6412418210 [0,1,0,1,0,0|1,0,0]=3 4577 B9R1.84 O=C([O-])CCN1CCC1 MCULE-8406428888 [0,1,0,1,0,0|1,0,1]=4 4578 B9R1.84 O=N(=O)CCC1CCC1 MCULE-8361883109 [0,1,0,1,0,0|1,0,1]=4 4579 B9R1.86 CCC1CC1CC(=O)O MCULE-9659162510 [0,1,0,1,0,0|0,0,0]=2 4580 B9R1.95 C#C[C@H]1C[C@H](C1)C(=O)C MCULE-2118662994 [0,1,0,1,0,0|1,0,1]=4 4581 B9R1.95 CC(=O)N1CC(C1)CN MCULE-7914814524 [0,1,0,1,0,0|2,0,0]=4 4582 B9R1.95 CC(=O)N1CC(C1)CN MCULE-9875135935 [0,1,0,1,0,0|2,0,0]=4 4583 B9R1.95 CC(=O)N1CC(C1)CO MCULE-9848922086 [0,1,0,1,0,0|2,0,0]=4 4584 B9R1.95 CC(C)C1CC(C1)CO MCULE-8967711451 [0,1,0,1,0,0|1,0,1]=4 4585 B9R1.95 CCC1CC(C1)C(=O)O MCULE-4399154195 [0,1,0,1,0,0|0,0,0]=2 4586 B9R1.95 CCC1CC(C1)C(=O)O MCULE-6408590394 [0,1,0,1,0,0|0,0,0]=2 4587 B9R1.95 CCN1CC(C1)C(=O)O MCULE-3132525132 [0,1,0,1,0,0|1,0,0]=3 4588 B9R1.95 CNC1CC(C1)C(=O)O MCULE-1477649750 [0,1,0,1,0,0|0,0,0]=2 4589 B9R1.95 CNC1CC(C1)C(=O)O MCULE-2034598338 [0,1,0,1,0,0|0,0,0]=2 4590 B9R1.95 CNC1CN(C1)C(=O)C MCULE-1726602772 [0,1,0,1,0,0|2,0,0]=4 4591 B9R1.95 CNC1CN(C1)C(=O)C MCULE-3939006603 [0,1,0,1,0,0|2,0,0]=4 4592 B9R1.95 COC1CC(C1)C(=O)C MCULE-5091337590 [0,1,0,1,0,0|1,0,0]=3 4593 B9R1.95 COC1CC(C1)C(=O)O MCULE-8232247707 [0,1,0,1,0,0|0,0,0]=2 4594 B9R1.95 COC1CN(C1)C(=O)Cl MCULE-4154655930 [0,1,0,1,0,0|2,0,0]=4 4595 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O MCULE-4399635730 [0,1,0,1,0,0|0,0,0]=2 4596 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O MCULE-1315313306 [0,1,0,1,0,0|0,0,0]=2 4597 B9R1.95 N#CC1CC(C1)C(=O)O MCULE-9043105457 [0,1,0,1,0,0|0,0,1]=3 4598 B9R1.95 NCC1CC(C1)C(=O)O MCULE-5139246766 [0,1,0,1,0,0|0,0,0]=2 4599 B9R1.95 NCC1CC(C1)C(=O)O MCULE-9472863522 [0,1,0,1,0,0|0,0,0]=2 4600 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-5593414975 [0,1,0,1,0,0|0,0,0]=2 4601 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-9152509638 [0,1,0,1,0,0|0,0,0]=2 4602 B9R1.95 O=C(O)C1CC(C1)CBr MCULE-6774883657 [0,1,0,1,0,0|0,0,0]=2 4603 B9R1.95 O=C(O)C1CC(C1)CF MCULE-2946863798 [0,1,0,1,0,0|0,0,0]=2 4604 B9R1.95 O=C(O)C1CC(C1)CO MCULE-8568823768 [0,1,0,1,0,0|0,0,0]=2 4605 B9R1.95 O=C(O)[C@H]1C[C@@H](C1)CO MCULE-5347571520 [0,1,0,1,0,0|0,0,0]=2 4606 B9R1.95 O=C(O)[C@H]1C[C@H](C1)CO MCULE-6623890968 [0,1,0,1,0,0|0,0,0]=2 4607 B9R1.95 O=C([O-])[C@H]1C[C@@H](C1)CO MCULE-8717273234 [0,1,0,1,0,0|0,0,1]=3 4608 B9R1.125 C=CC1(CCC(=O)O1)C MCULE-6337213328 [0,1,0,1,0,0|0,0,1]=3 4609 B9R1.125 CC1(CCC(=O)N1)C#N MCULE-1747516411 [0,1,0,1,0,0|1,0,1]=4 4610 B9R1.125 CC1(CCC(=O)N1)CN MCULE-5027285094 [0,1,0,1,0,0|1,0,0]=3 4611 B9R1.125 CC1(CCC(=O)N1)CN MCULE-6327832088 [0,1,0,1,0,0|1,0,0]=3 4612 B9R1.125 CC1(CCC(=O)N1)CO MCULE-9700105207 [0,1,0,1,0,0|1,0,0]=3 4613 B9R1.125 CC1(CNC(=O)C1)CO MCULE-1633429143 [0,1,0,1,0,0|2,0,0]=4 4614 B9R1.125 CC1(COC(=O)C1)CO MCULE-2278000717 [0,1,0,1,0,0|2,0,0]=4 4615 B9R1.125 CC1(COC(=O)N1)CI MCULE-2242952890 [0,1,0,1,0,0|2,0,0]=4 4616 B9R1.125 CC1(COC(=O)N1)CN MCULE-6928291098 [0,1,0,1,0,0|2,0,0]=4 4617 B9R1.125 CC1(COC(=O)N1)CO MCULE-7873521103 [0,1,0,1,0,0|2,0,0]=4 4618 B9R1.125 CCC1(CCC(=O)O1)C MCULE-1533992852 [0,1,0,1,0,0|0,0,0]=2 4619 B9R1.125 CCC1(CNC(=O)C1)C MCULE-9614797023 [0,1,0,1,0,0|2,0,0]=4 4620 B9R1.127 CCC1(CC1C(=O)O)C MCULE-5907126944 [0,1,0,1,0,0|0,0,0]=2 4621 B9R1.133 CC1(CCC(O1)CBr)C MCULE-7975653586 [0,1,0,1,0,0|1,0,1]=4 4622 B9R1.133 CC1(CCC(O1)CN)C MCULE-7867684034 [0,1,0,1,0,0|1,0,1]=4 4623 B9R1.133 CC1(CCC(O1)CN)C MCULE-9199821671 [0,1,0,1,0,0|1,0,1]=4 4624 B9R1.133 CC1(CCC(O1)CO)C MCULE-1774872507 [0,1,0,1,0,0|0,0,2]=4 4625 B9R1.133 CC1(CC[C@@H](O1)CN)C MCULE-1087286567 [0,1,0,1,0,0|1,0,1]=4 4626 B9R1.133 CC1(CC[C@@H](O1)CO)C MCULE-5585962757 [0,1,0,1,0,0|0,0,2]=4 4627 B9R1.133 CC1(CC[C@H](O1)CO)C MCULE-2305370714 [0,1,0,1,0,0|0,0,2]=4 4628 B9R1.133 CC1(CC[C@H](O1)CO)C MCULE-8266167352 [0,1,0,1,0,0|0,0,2]=4 4629 B9R1.133 CC1(OCC(O1)C=O)C MCULE-2415914691 [0,1,0,1,0,0|1,0,1]=4 4630 B9R1.133 CC1(OC[C@@H](O1)C=O)C MCULE-1837843473 [0,1,0,1,0,0|1,0,1]=4 4631 B9R1.133 CC1(OC[C@@H](O1)C=O)C MCULE-9001101986 [0,1,0,1,0,0|1,0,1]=4 4632 B9R1.133 CC1(OC[C@H](O1)C=O)C MCULE-2355273726 [0,1,0,1,0,0|1,0,1]=4 4633 B9R1.133 CC1(OC[C@H](O1)C=O)C MCULE-3931300162 [0,1,0,1,0,0|1,0,1]=4 4634 B9R1.133 CNC1CCS(=N)(=O)C1 MCULE-2658721094 [0,1,0,1,0,0|2,0,0]=4 4635 B9R1.133 CNC1CCS(=N)(=O)C1 MCULE-4234317933 [0,1,0,1,0,0|2,0,0]=4 4636 B9R1.133 CNC1CCS(=O)(=O)C1 MCULE-5985986692 [0,1,0,1,0,0|1,0,1]=4 4637 B9R1.133 CNC1CCS(=O)(=O)C1 MCULE-9632095935 [0,1,0,1,0,0|1,0,1]=4 4638 B9R1.133 COC1CCS(=O)(=O)C1 MCULE-9913500939 [0,1,0,1,0,0|1,0,1]=4 4639 B9R1.133 NCC1CCS(=O)(=O)C1 MCULE-1137567443 [0,1,0,1,0,0|1,0,1]=4 4640 B9R1.133 NCC1CCS(=O)(=O)C1 MCULE-7791459832 [0,1,0,1,0,0|1,0,1]=4 4641 B9R1.133 O=S1(=O)CCC(C1)CBr MCULE-3815205256 [0,1,0,1,0,0|1,0,1]=4 4642 B9R1.133 O=S1(=O)CCC(C1)CCl MCULE-5410601039 [0,1,0,1,0,0|1,0,1]=4 4643 B9R1.133 O=S1(=O)CCC(C1)CO MCULE-8257356519 [0,1,0,1,0,0|1,0,1]=4 4644 B9R1.138 CC1(CCC(=O)C1=O)C MCULE-2832918423 [0,1,0,1,0,0|0,0,1]=3 4645 B9R1.138 CC1(CCC(C1=O)Br)C MCULE-1239203799 [0,1,0,1,0,0|1,0,1]=4 4646 B9R1.138 CC1(CCC(C1=O)Cl)C MCULE-9064906453 [0,1,0,1,0,0|1,0,1]=4 4647 B9R1.138 CC1(CNC(=O)C1=O)C MCULE-2391669444 [0,1,0,1,0,0|1,0,1]=4 4648 B9R1.138 CC1(CNC(=O)C1N)C MCULE-8991613475 [0,1,0,1,0,0|2,0,0]=4 4649 B9R1.138 CC1(CNC(=O)C1O)C MCULE-8013652452 [0,1,0,1,0,0|1,0,0]=3 4650 B9R1.138 CC1(COC(=O)C1=O)C MCULE-2752948754 [0,1,0,1,0,0|1,0,1]=4 4651 B9R1.138 CC1(COC(=O)C1N)C MCULE-1682618419 [0,1,0,1,0,0|2,0,0]=4 4652 B9R1.138 CC1(COC(=O)C1N)C MCULE-3128113500 [0,1,0,1,0,0|2,0,0]=4 4653 B9R1.138 CC1(COC(=O)C1O)C MCULE-1379755407 [0,1,0,1,0,0|1,0,0]=3 4654 B9R1.138 CC1(COC(=O)C1O)C MCULE-2206761895 [0,1,0,1,0,0|1,0,0]=3 4655 B9R1.138 CC1(COC(=O)[C@@H]1O)C MCULE-1523390021 [0,1,0,1,0,0|1,0,0]=3 4656 B9R1.138 CC1(COC(=O)[C@@H]1O)C MCULE-6977613194 [0,1,0,1,0,0|1,0,0]=3 4657 B9R1.138 CC1(COC(=O)[C@H]1O)C MCULE-3908533499 [0,1,0,1,0,0|1,0,0]=3 4658 B9R1.138 CC1(COC(=O)[C@H]1O)C MCULE-4242205405 [0,1,0,1,0,0|1,0,0]=3 4659 B9R1.138 CC1(CSC(=O)C1N)C MCULE-5995445974 [0,1,0,1,0,0|2,0,0]=4 4660 B9R1.138 CC1(CSC(=O)C1N)C MCULE-9718071604 [0,1,0,1,0,0|2,0,0]=4 4661 B9R1.138 CN1C(=O)OCC1(C)C MCULE-4308184185 [0,1,0,1,0,0|2,0,0]=4 4662 B9R1.147 CC1(CC1)C#CC(=O)O MCULE-2641710313 [0,1,0,1,0,0|0,0,2]=4 4663 B9R1.147 CC1(CC1)CCC(=O)O MCULE-7141144115 [0,1,0,1,0,0|0,0,0]=2 4664 B9R1.147 CC1(N=N1)CCC(=O)O MCULE-3120941504 [0,1,0,1,0,0|1,0,0]=3 4665 B9R1.147 O=C(O)CCC1(CC1)O MCULE-2890628610 [0,1,0,1,0,0|0,0,0]=2 4666 B9R1.185 CC1(CC1C(=O)NN)C MCULE-3507126789 [0,1,0,1,0,0|1,0,0]=3 4667 B9R1.185 CC1(CC1C(=O)NN)C MCULE-6954619115 [0,1,0,1,0,0|1,0,0]=3 4668 B9R1.185 CCC(=O)C1CC1(C)C MCULE-8284083983 [0,1,0,1,0,0|1,0,0]=3 4669 B9R1.185 COC(=O)C1CC1(Br)Br MCULE-5807262995 [0,1,0,1,0,0|2,0,0]=4 4670 B9R1.185 COC(=O)C1CC1(C)C MCULE-1185022768 [0,1,0,1,0,0|0,0,0]=2 4671 B9R1.185 COC(=O)C1CC1(F)F MCULE-5231202195 [0,1,0,1,0,0|2,0,0]=4 4672 B9R1.36 C=C1CC(NC1=O)(C)C MCULE-5057564454 [0,1,0,1,0,0|1,0,1]=4 4673 B9R1.36 CC1(CC(C(=O)N1)O)C MCULE-6193972218 [0,1,0,1,0,0|1,0,0]=3 4674 B9R1.36 CC1(CC(C(=O)O1)N)C MCULE-7823096614 [0,1,0,1,0,0|0,0,0]=2 4675 B9R1.36 CC1(CC(C(=O)O1)N)C MCULE-8973330971 [0,1,0,1,0,0|0,0,0]=2 4676 B9R1.36 CC1CC(CC1=O)(C)C MCULE-2251251242 [0,1,0,1,0,0|1,0,0]=3 4677 B9R1.36 CC1CC(NC1=O)(C)C MCULE-3640588755 [0,1,0,1,0,0|1,0,0]=3 4678 B9R1.36 CC1CS(=O)(=O)CC1N MCULE-2775896600 [0,1,0,1,0,0|1,0,1]=4 4679 B9R1.36 CC1CS(=O)(=O)CC1N MCULE-5682066288 [0,1,0,1,0,0|1,0,1]=4 4680 B9R1.36 CC1OC(OC1=O)(C)C MCULE-1281784579 [0,1,0,1,0,0|1,0,0]=3 4681 B9R1.36 CC1SC(OC1=O)(C)C MCULE-1070141041 [0,1,0,1,0,0|1,0,0]=3 4682 B9R1.38 C=C1OC(=O)OC1(C)C MCULE-6317618259 [0,1,0,1,0,0|1,0,1]=4 4683 B9R1.38 CC1(CC(=O)CC1=O)C MCULE-3397643509 [0,1,0,1,0,0|1,0,1]=4 4684 B9R1.38 CC1(NC(=O)CC1=O)C MCULE-8883060941 [0,1,0,1,0,0|1,0,1]=4 4685 B9R1.38 CC1(NC(=O)CC1N)C MCULE-9628793006 [0,1,0,1,0,0|1,0,0]=3 4686 B9R1.38 CC1(NC(=O)CC1O)C MCULE-8306254701 [0,1,0,1,0,0|1,0,0]=3 4687 B9R1.38 CC1(OC(=O)C=C1O)C MCULE-8125069507 [0,1,0,1,0,0|0,0,2]=4 4688 B9R1.38 CC1(OC(=O)CC1=O)C MCULE-9824471420 [0,1,0,1,0,0|0,0,1]=3 4689 B9R1.38 CC1(OC(=O)N=C1N)C MCULE-1911233295 [0,1,0,1,0,0|1,0,1]=4 4690 B9R1.38 CC1(OC(=O)NC1=O)C MCULE-2681916511 [0,1,0,1,0,0|1,0,1]=4 4691 B9R1.38 CC1CC(=O)NC1(C)C MCULE-4801665077 [0,1,0,1,0,0|1,0,0]=3 4692 B9R1.38 CC1CC(=O)OC1(C)C MCULE-6169528498 [0,1,0,1,0,0|0,0,0]=2 4693 B9R1.38 CC1CC(S(=O)(=O)C1)C MCULE-7873770118 [0,1,0,1,0,0|1,0,1]=4 4694 B9R1.38 CC1OC(=O)CC1(C)C MCULE-2629079906 [0,1,0,1,0,0|2,0,0]=4 4695 B9R1.44 CC1(CC1F)CC(=O)O MCULE-2399259815 [0,1,0,1,0,0|1,0,0]=3 4696 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [0,1,0,1,0,0|0,0,2]=4 4697 B9R1.112 C/C(=C\C1CC1)/C(=O)O MCULE-1913340747 [0,1,0,1,0,0|0,0,2]=4 4698 B9R1.112 CC(CC1CC1)C(=O)O MCULE-6769587353 [0,1,0,1,0,0|0,0,0]=2 4699 B9R1.112 CC(SC1CC1)C(=O)O MCULE-6918133296 [0,1,0,1,0,0|1,0,0]=3 4700 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-2919785082 [0,1,0,1,0,0|1,0,0]=3 4701 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-4729598853 [0,1,0,1,0,0|1,0,0]=3 4702 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-3167502244 [0,1,0,1,0,0|1,0,0]=3 4703 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-8140131300 [0,1,0,1,0,0|1,0,0]=3 4704 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-4142673004 [0,1,0,1,0,0|1,0,0]=3 4705 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-6535973441 [0,1,0,1,0,0|1,0,0]=3 4706 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2093088646 [0,1,0,1,0,0|0,0,0]=2 4707 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2184599799 [0,1,0,1,0,0|0,0,0]=2 4708 B9R1.112 NC(CC1CC1)C(=O)O MCULE-6147797529 [0,1,0,1,0,0|0,0,0]=2 4709 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-6048291861 [0,1,0,1,0,0|0,0,0]=2 4710 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-9266785362 [0,1,0,1,0,0|0,0,0]=2 4711 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-5333410932 [0,1,0,1,0,0|0,0,0]=2 4712 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-6150609140 [0,1,0,1,0,0|0,0,0]=2 4713 B9R1.112 O=C(O)C(=CC1CC1)F MCULE-7624994357 [0,1,0,1,0,0|0,0,2]=4 4714 B9R1.112 O=C(O)C(=O)CC1CC1 MCULE-2914009662 [0,1,0,1,0,0|0,0,1]=3 4715 B9R1.112 O=C(O)C(=O)NC1CC1 MCULE-7988086119 [0,1,0,1,0,0|1,0,1]=4 4716 B9R1.112 O=C(O)C(F)CC1CC1 MCULE-2152276709 [0,1,0,1,0,0|0,0,0]=2 4717 B9R1.112 O=C(O)C(O)CC1CC1 MCULE-7898828154 [0,1,0,1,0,0|0,0,0]=2 4718 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-3864076940 [0,1,0,1,0,0|0,0,0]=2 4719 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-5498784709 [0,1,0,1,0,0|0,0,0]=2 4720 B9R1.137 C/C(=C/C(=O)O)/C1CC1 MCULE-5654935007 [0,1,0,1,0,0|0,0,2]=4 4721 B9R1.137 CC(=CC(=O)O)C1CC1 MCULE-7697317178 [0,1,0,1,0,0|0,0,2]=4 4722 B9R1.137 CC(=O)CC(=O)C1CC1 MCULE-6953036465 [0,1,0,1,0,0|1,0,1]=4 4723 B9R1.137 CC(=O)OC(C)C1CC1 MCULE-5922626122 [0,1,0,1,0,0|2,0,0]=4 4724 B9R1.137 CC(CC(=O)O)C1CC1 MCULE-6791529668 [0,1,0,1,0,0|0,0,0]=2 4725 B9R1.137 CN(CC(=O)O)C1CC1 MCULE-7502980024 [0,1,0,1,0,0|1,0,0]=3 4726 B9R1.137 NC(CC(=O)O)C1CC1 MCULE-8804808816 [0,1,0,1,0,0|0,0,0]=2 4727 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9237422000 [0,1,0,1,0,0|0,0,0]=2 4728 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9835342571 [0,1,0,1,0,0|0,0,0]=2 4729 B9R1.137 O=C(O)C=C(Cl)C1CC1 MCULE-8399808525 [0,1,0,1,0,0|0,0,2]=4 4730 B9R1.137 O=C(O)CC(=O)C1CC1 MCULE-2843513529 [0,1,0,1,0,0|0,0,1]=3 4731 B9R1.137 O=N(=O)CC(O)C1CC1 MCULE-4450448678 [0,1,0,1,0,0|1,0,1]=4 4732 B9R1.152 C=C1CC(C1)(C)C(=O)O MCULE-7205894158 [0,1,0,1,0,0|0,0,2]=4 4733 B9R1.152 C=C1CC(C1)(O)C(=O)O MCULE-9531189314 [0,1,0,1,0,0|0,0,2]=4 4734 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [0,1,0,1,0,0|1,0,1]=4 4735 B9R1.152 CC1(CC(C1)N)C(=O)O MCULE-2576475336 [0,1,0,1,0,0|1,0,0]=3 4736 B9R1.152 CC1(CC(C1)N)C(=O)O MCULE-6535558159 [0,1,0,1,0,0|1,0,0]=3 4737 B9R1.152 CC1CC(C1)(C)C(=O)O MCULE-6119301322 [0,1,0,1,0,0|0,0,0]=2 4738 B9R1.152 CN1CC(C1)(C)C(=O)O MCULE-4633405499 [0,1,0,1,0,0|1,0,0]=3 4739 B9R1.152 C[C@@]1(C[C@@H](C1)N)C(=O)O MCULE-4599601598 [0,1,0,1,0,0|1,0,0]=3 4740 B9R1.152 C[C@@]1(C[C@@H](C1)N)C(=O)O MCULE-4763611062 [0,1,0,1,0,0|1,0,0]=3 4741 B9R1.152 C[C@@]1(C[C@H](C1)N)C(=O)O MCULE-2054460365 [0,1,0,1,0,0|1,0,0]=3 4742 B9R1.152 C[C@@]1(C[C@H](C1)N)C(=O)O MCULE-8615255294 [0,1,0,1,0,0|1,0,0]=3 4743 B9R1.152 C[C@H]1C[C@@](C1)(N)C(=O)O MCULE-7807418833 [0,1,0,1,0,0|0,0,0]=2 4744 B9R1.152 C[C@H]1C[C@](C1)(N)C(=O)O MCULE-2634950955 [0,1,0,1,0,0|0,0,0]=2 4745 B9R1.152 NC1(CC(C1)F)C(=O)O MCULE-5206815009 [0,1,0,1,0,0|1,0,0]=3 4746 B9R1.152 NC1(CC(C1)F)C(=O)O MCULE-9944960595 [0,1,0,1,0,0|1,0,0]=3 4747 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8304595021 [0,1,0,1,0,0|1,0,0]=3 4748 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8353432396 [0,1,0,1,0,0|1,0,0]=3 4749 B9R1.152 NC1CC(C1)(F)C(=O)O MCULE-8174066741 [0,1,0,1,0,0|1,0,0]=3 4750 B9R1.152 N[C@@]1(C[C@@H](C1)F)C(=O)O MCULE-3535102578 [0,1,0,1,0,0|1,0,0]=3 4751 B9R1.152 N[C@@]1(C[C@@H](C1)O)C(=O)O MCULE-3919423791 [0,1,0,1,0,0|1,0,0]=3 4752 B9R1.152 N[C@@]1(C[C@H](C1)F)C(=O)O MCULE-4417403698 [0,1,0,1,0,0|1,0,0]=3 4753 B9R1.152 O=C(O)C1(CC(C1)O)O MCULE-4321795643 [0,1,0,1,0,0|1,0,0]=3 4754 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)F MCULE-1599041261 [0,1,0,1,0,0|1,0,0]=3 4755 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)O MCULE-3005775021 [0,1,0,1,0,0|1,0,0]=3 4756 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)F MCULE-8929901678 [0,1,0,1,0,0|1,0,0]=3 4757 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)O MCULE-2152193030 [0,1,0,1,0,0|1,0,0]=3 4758 B9R1.153 CC1(C(CS1(=O)=O)N)C MCULE-8251667119 [0,1,0,1,0,0|1,0,1]=4 4759 B9R1.153 CC1([C@H](CS1(=O)=O)N)C MCULE-6190397248 [0,1,0,1,0,0|1,0,1]=4 4760 B9R1.153 CC1([C@H](CS1(=O)=O)N)C MCULE-8057540564 [0,1,0,1,0,0|1,0,1]=4 4761 B9R1.164 CC(=O)C1CC(C1)(F)F MCULE-1677593135 [0,1,0,1,0,0|2,0,0]=4 4762 B9R1.164 CC(=O)N1CC(C1)(C)N MCULE-2184805691 [0,1,0,1,0,0|2,0,0]=4 4763 B9R1.164 CC1(C=C(C1)C(=O)O)C MCULE-6051429831 [0,1,0,1,0,0|0,0,1]=3 4764 B9R1.164 CC1(CC(C1)B(O)O)C MCULE-6842098126 [0,1,0,1,0,0|1,0,1]=4 4765 B9R1.164 CC1(CC(C1)C(=O)Cl)C MCULE-8399715648 [0,1,0,1,0,0|1,0,0]=3 4766 B9R1.164 CC1(CC(C1)C(=O)N)C MCULE-1074701777 [0,1,0,1,0,0|1,0,0]=3 4767 B9R1.164 CC1(CC(C1)C(=O)O)C MCULE-2113829273 [0,1,0,1,0,0|0,0,0]=2 4768 B9R1.164 CC1(CC(C1)C(=O)O)F MCULE-6709976888 [0,1,0,1,0,0|0,0,0]=2 4769 B9R1.164 CC1(CC(C1)C(=O)O)O MCULE-2222519984 [0,1,0,1,0,0|0,0,0]=2 4770 B9R1.164 C[C@@]1(C[C@@H](C1)C(=O)O)F MCULE-5383135274 [0,1,0,1,0,0|0,0,0]=2 4771 B9R1.164 C[C@@]1(C[C@@H](C1)C(=O)O)O MCULE-4467958139 [0,1,0,1,0,0|0,0,0]=2 4772 B9R1.164 C[C@@]1(C[C@@H](C1)C(=O)[O-])O MCULE-4335271280 [0,1,0,1,0,0|0,0,1]=3 4773 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)O)F MCULE-3132782538 [0,1,0,1,0,0|0,0,0]=2 4774 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)O)O MCULE-3757447768 [0,1,0,1,0,0|0,0,0]=2 4775 B9R1.164 NC(=O)C1CC(C1)(F)F MCULE-8721897161 [0,1,0,1,0,0|2,0,0]=4 4776 B9R1.164 O=C(Cl)C1CC(C1)(F)F MCULE-4507574894 [0,1,0,1,0,0|2,0,0]=4 4777 B9R1.164 O=C(O)C1CC(C1)(F)F MCULE-2201483659 [0,1,0,1,0,0|1,0,0]=3 4778 B9R1.164 O=C(O)C1CS(=O)(=O)C1 MCULE-7280424141 [0,1,0,1,0,0|2,0,0]=4 4779 B9R1.169 CC1(CC1(Br)Br)C(=O)O MCULE-3847405281 [0,1,0,1,0,0|2,0,0]=4 4780 B9R1.169 CC1(CC1(Cl)Cl)C(=O)O MCULE-4921441641 [0,1,0,1,0,0|2,0,0]=4 4781 B9R1.169 CC1(CC1(F)Cl)C(=O)O MCULE-2748610174 [0,1,0,1,0,0|2,0,0]=4 4782 B9R1.169 CC1(CC1(F)F)C(=O)O MCULE-3474318455 [0,1,0,1,0,0|2,0,0]=4 4783 B9R1.51 CC(C)(C)C1CC(=O)C1 MCULE-2438920016 [0,1,0,1,0,0|1,0,0]=3 4784 B9R1.51 CC(C)(C)C1CC(=O)N1 MCULE-5500433197 [0,1,0,1,0,0|1,0,0]=3 4785 B9R1.115 O=S(=O)(Cl)CCC1CC1 MCULE-1124916366 [0,1,0,1,0,0|1,0,1]=4 4786 B9R1.146 CC1(CCC(O1)(C)C)C MCULE-3515159898 [0,1,0,1,0,0|1,0,1]=4 4787 B9R1.146 CC1(CCS(=O)(=O)C1)Br MCULE-9697135485 [0,1,0,1,0,0|1,0,1]=4 4788 B9R1.146 CC1(CCS(=O)(=O)C1)N MCULE-1622028320 [0,1,0,1,0,0|1,0,1]=4 4789 B9R1.146 CC1(CCS(=O)(=O)C1)N MCULE-3413973551 [0,1,0,1,0,0|1,0,1]=4 4790 B9R1.146 CC1(CCS(=O)(=O)C1)O MCULE-8229668499 [0,1,0,1,0,0|1,0,1]=4 4791 B9R1.146 C[C@@]1(CCS(=O)(=O)C1)N MCULE-2880224003 [0,1,0,1,0,0|1,0,1]=4 4792 B9R1.146 C[C@@]1(CCS(=O)(=O)C1)N MCULE-9371741380 [0,1,0,1,0,0|1,0,1]=4 4793 B9R1.146 C[C@]1(CCS(=O)(=O)C1)N MCULE-5474639854 [0,1,0,1,0,0|1,0,1]=4 4794 B9R1.146 C[C@]1(CCS(=O)(=O)C1)N MCULE-9653680627 [0,1,0,1,0,0|1,0,1]=4 4795 B9R2.19 O=C1CCC2CC1C2 MCULE-7777720832 [0,0,0,2,0,0|1,0,0]=3 4796 B9R2.19 O=C1NCC2CC1C2 MCULE-1404448235 [0,0,0,2,0,0|1,0,0]=3 4797 B9R2.19 O=C1NCC2CC1N2 MCULE-4322893965 [0,0,0,2,0,0|2,0,0]=4 4798 B9R2.21 CC1CCC2OC2C1 MCULE-6465413460 [0,0,0,2,0,0|1,0,1]=4 4799 B9R2.21 O=C1CC2CC2CN1 MCULE-8535104450 [0,0,0,2,0,0|1,0,0]=3 4800 B9R2.21 O=C1CCC2CC2N1 MCULE-1049659983 [0,0,0,2,0,0|1,0,0]=3 4801 B9R2.40 CC12CCC(=O)C1C2 MCULE-1791110578 [0,0,0,2,0,0|1,0,0]=3 4802 B9R2.110 OC12CCC(C1)CC2 MCULE-6779700955 [0,0,0,2,0,0|1,0,1]=4 4803 B9R2.41 O=C1CC(C1)C2CC2 MCULE-3876093576 [0,0,0,2,0,0|1,0,0]=3 4804 B9R2.145 CC(=O)C12CC(C1)C2 MCULE-4306075078 [0,0,0,2,0,0|1,0,0]=3 4805 B9R2.145 N=C(N)C12CC(C1)C2 MCULE-5946417605 [0,0,0,2,0,0|2,0,0]=4 4806 B9R2.145 N=C(N)C12CC(C1)C2 MCULE-6911706601 [0,0,0,2,0,0|2,0,0]=4 4807 B9R2.145 NC(=O)C12CC(C1)C2 MCULE-6296637670 [0,0,0,2,0,0|1,0,0]=3 4808 B9R2.145 O=C(O)C12CC(C1)C2 MCULE-3144378973 [0,0,0,2,0,0|0,0,0]=2 4809 B9R2.145 OB(O)C12CC(C1)C2 MCULE-8986906752 [0,0,0,2,0,0|1,0,1]=4 4810 B9R2.145 OC(O)C12CC(C1)C2 MCULE-6077571485 [0,0,0,2,0,0|0,0,2]=4 4811 B9R2.139 O=C1CC2(CC2)CN1 MCULE-7165257937 [0,0,0,2,0,0|2,0,0]=4 4812 B9R2.139 O=C1CC2(CC2)CO1 MCULE-1305676940 [0,0,0,2,0,0|2,0,0]=4 4813 B9R2.139 O=C1CCC2(C1)CC2 MCULE-5619539726 [0,0,0,2,0,0|1,0,0]=3 4814 B9R2.139 O=C1CCC2(N1)CC2 MCULE-2706136990 [0,0,0,2,0,0|1,0,0]=3 4815 B9R2.139 O=C1NC2(CC2)CO1 MCULE-1385962947 [0,0,0,2,0,0|2,0,0]=4 4816 B9R2.139 O=C1NCC2(O1)CC2 MCULE-6216048113 [0,0,0,2,0,0|1,0,0]=3 4817 B9R2.139 OC1CCC2(C1)CC2 MCULE-7469775678 [0,0,0,2,0,0|1,0,1]=4 4818 B9R2.143 CC(=O)C1CC12CC2 MCULE-1830516621 [0,0,0,2,0,0|1,0,0]=3 4819 B9R2.143 C[C@@H](O)C1CC12CC2 MCULE-4778185928 [0,0,0,2,0,0|1,0,1]=4 4820 B9R2.143 NC(=O)[C@H]1CC12CC2 MCULE-1517066557 [0,0,0,2,0,0|1,0,0]=3 4821 B9R2.143 O=C(O)C1CC12CC2 MCULE-3123393545 [0,0,0,2,0,0|0,0,0]=2 4822 B9R2.143 O=C(O)[C@H]1CC12CC2 MCULE-5995095647 [0,0,0,2,0,0|0,0,0]=2 4823 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,0,0,2,0|0,0,2]=4 4824 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [0,0,0,0,2,0|2,0,0]=4 4825 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,0,0,2,0|1,0,1]=4 4826 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [0,0,0,0,2,0|2,0,0]=4 4827 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [0,0,0,0,2,0|1,0,0]=3 4828 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [0,0,0,0,2,0|2,0,0]=4 4829 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [0,0,0,0,2,0|2,0,0]=4 4830 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,0,0,0,2,0|2,0,0]=4 4831 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,0,0,0,2,0|2,0,0]=4 4832 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,0,0,0,2,0|2,0,0]=4 4833 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [0,0,0,0,2,0|2,0,0]=4 4834 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [0,0,0,0,2,0|2,0,0]=4 4835 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,0,0,0,2,0|2,0,0]=4 4836 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,0,0,0,2,0|2,0,0]=4 4837 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,0,0,0,2,0|2,0,0]=4 4838 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,0,0,0,2,0|2,0,0]=4 4839 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [0,0,0,0,2,0|2,0,0]=4 4840 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [0,0,0,0,2,0|2,0,0]=4 4841 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,0,0,0,2,0|2,0,0]=4 4842 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,0,0,0,2,0|1,0,0]=3 4843 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,0,0,0,2,0|1,0,0]=3 4844 B5R0.5 CC(C)B(O)O MCULE-1255589444 [0,0,0,0,2,0|1,0,1]=4 4845 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [0,0,0,0,2,0|2,0,0]=4 4846 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [0,0,0,0,2,0|2,0,0]=4 4847 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [0,0,0,0,2,0|1,0,0]=3 4848 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [0,0,0,0,2,0|1,0,0]=3 4849 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,0,0,0,2,0|1,0,0]=3 4850 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,0,0,0,2,0|0,0,0]=2 4851 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [0,0,0,0,2,0|0,1,0]=3 4852 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [0,0,0,0,2,0|1,1,0]=4 4853 B5R0.5 CC(C)C(C)O MCULE-4829392845 [0,0,0,0,2,0|1,0,1]=4 4854 B5R0.5 CC(C)N(=O)=O MCULE-8418443353 [0,0,0,0,2,0|1,0,1]=4 4855 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [0,0,0,0,2,0|2,0,0]=4 4856 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [0,0,0,0,2,0|1,0,0]=3 4857 B5R0.5 CC(C)S(=O)[O-] MCULE-2354817364 [0,0,0,0,2,0|1,0,1]=4 4858 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [0,0,0,0,2,0|1,0,1]=4 4859 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [0,0,0,0,2,0|1,0,1]=4 4860 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [0,0,0,0,2,0|1,0,1]=4 4861 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [0,0,0,0,2,0|2,0,0]=4 4862 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,0,0,0,2,0|2,0,0]=4 4863 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,0,0,0,2,0|1,0,0]=3 4864 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,0,0,0,2,0|1,0,0]=3 4865 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,0,0,0,2,0|1,0,0]=3 4866 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,0,0,0,2,0|2,0,0]=4 4867 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,0,0,0,2,0|2,0,0]=4 4868 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,0,0,0,2,0|2,0,0]=4 4869 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,0,0,0,2,0|2,0,0]=4 4870 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,0,0,0,2,0|2,0,0]=4 4871 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,0,0,0,2,0|2,0,0]=4 4872 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,0,0,0,2,0|2,0,0]=4 4873 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,0,0,0,2,0|1,0,0]=3 4874 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,0,0,0,2,0|1,0,0]=3 4875 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,0,0,0,2,0|1,0,0]=3 4876 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,0,0,0,2,0|1,0,0]=3 4877 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,0,0,0,2,0|2,0,0]=4 4878 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,0,0,0,2,0|2,0,0]=4 4879 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,0,0,0,2,0|1,0,0]=3 4880 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,0,0,0,2,0|1,0,0]=3 4881 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,0,0,0,2,0|1,0,1]=4 4882 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,0,0,0,2,0|1,0,1]=4 4883 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,0,0,0,2,0|1,0,1]=4 4884 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,0,0,0,2,0|2,0,0]=4 4885 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,0,0,0,2,0|1,0,0]=3 4886 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [0,0,0,0,2,0|2,0,0]=4 4887 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [0,0,0,0,2,0|2,0,0]=4 4888 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,0,0,0,2,0|1,0,0]=3 4889 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [0,0,0,0,2,0|1,0,1]=4 4890 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,0,0,0,2,0|1,0,0]=3 4891 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,0,0,0,2,0|1,0,0]=3 4892 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [0,0,0,0,2,0|2,0,0]=4 4893 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,0,0,0,2,0|1,0,0]=3 4894 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,0,0,0,2,0|1,0,0]=3 4895 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,0,0,0,2,0|2,0,0]=4 4896 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,0,0,0,2,0|2,0,0]=4 4897 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,0,0,0,2,0|2,0,0]=4 4898 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,0,0,0,2,0|2,0,0]=4 4899 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,0,0,0,2,0|2,0,0]=4 4900 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,0,0,0,2,0|1,0,0]=3 4901 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,0,0,0,2,0|1,0,0]=3 4902 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,0,0,0,2,0|2,0,0]=4 4903 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,0,0,0,2,0|2,0,0]=4 4904 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,0,0,0,2,0|1,0,0]=3 4905 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,0,0,0,2,0|1,0,0]=3 4906 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,0,0,0,2,0|1,0,1]=4 4907 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,0,0,0,2,0|1,0,1]=4 4908 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,0,0,0,2,0|1,0,1]=4 4909 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [0,0,0,0,2,0|2,0,0]=4 4910 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,0,0,0,2,0|1,0,0]=3 4911 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,0,0,0,2,0|1,0,0]=3 4912 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,0,0,0,2,0|1,0,0]=3 4913 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,0,0,0,2,0|1,0,0]=3 4914 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,0,0,0,2,0|2,0,0]=4 4915 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,0,0,0,2,0|2,0,0]=4 4916 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,0,0,0,2,0|2,0,0]=4 4917 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,0,0,0,2,0|2,0,0]=4 4918 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,0,0,0,2,0|2,0,0]=4 4919 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,0,0,0,2,0|2,0,0]=4 4920 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,0,0,0,2,0|2,0,0]=4 4921 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,0,0,0,2,0|2,0,0]=4 4922 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,0,0,0,2,0|2,0,0]=4 4923 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,0,0,0,2,0|1,0,0]=3 4924 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,0,0,0,2,0|1,0,0]=3 4925 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,0,0,0,2,0|1,0,0]=3 4926 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,0,0,0,2,0|1,0,0]=3 4927 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,0,0,0,2,0|2,0,0]=4 4928 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,0,0,0,2,0|1,0,0]=3 4929 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,0,0,0,2,0|1,0,0]=3 4930 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,0,0,0,2,0|1,0,1]=4 4931 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,0,0,0,2,0|1,0,1]=4 4932 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,0,0,0,2,0|1,0,1]=4 4933 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,0,0,0,2,0|1,0,1]=4 4934 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,0,0,0,2,0|1,0,1]=4 4935 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,0,0,0,2,0|2,0,0]=4 4936 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [0,0,0,0,2,0|2,0,0]=4 4937 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [0,0,0,0,2,0|2,0,0]=4 4938 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [0,0,0,0,2,0|2,0,0]=4 4939 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [0,0,0,0,2,0|2,0,0]=4 4940 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [0,0,0,0,2,0|2,0,0]=4 4941 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [0,0,0,0,2,0|2,0,0]=4 4942 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [0,0,0,0,2,0|2,0,0]=4 4943 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,0,0,0,2,0|2,0,0]=4 4944 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [0,0,0,0,2,0|2,0,0]=4 4945 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [0,0,0,0,2,0|2,0,0]=4 4946 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,0,0,0,2,0|2,0,0]=4 4947 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [0,0,0,0,0,2|0,0,2]=4 4948 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [0,0,0,0,0,2|0,0,1]=3 4949 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [0,0,0,0,0,2|1,0,1]=4 4950 B9R0.55 CC(=O)CCCCC(C)C MCULE-8847308651 [0,0,0,0,0,2|1,0,0]=3 4951 B9R0.55 CC(=O)CCCCN(C)C MCULE-4549437072 [0,0,0,0,0,2|2,0,0]=4 4952 B9R0.55 CC(=O)CCOCC(C)C MCULE-8673860656 [0,0,0,0,0,2|1,0,0]=3 4953 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [0,0,0,0,0,2|1,0,1]=4 4954 B9R0.55 CC(=O)NCCCN(C)C MCULE-9928212719 [0,0,0,0,0,2|2,0,0]=4 4955 B9R0.55 CC(=O)NCCNC(C)C MCULE-7910696298 [0,0,0,0,0,2|1,0,0]=3 4956 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [0,0,0,0,0,2|1,0,1]=4 4957 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [0,0,0,0,0,2|1,0,1]=4 4958 B9R0.55 CC(C)C=CCCC(=O)O MCULE-4916288990 [0,0,0,0,0,2|0,0,0]=2 4959 B9R0.55 CC(C)CC/C=C/B(O)O MCULE-3932882523 [0,0,0,0,0,2|1,0,1]=4 4960 B9R0.55 CC(C)CCC=CB(O)O MCULE-9200845318 [0,0,0,0,0,2|1,0,1]=4 4961 B9R0.55 CC(C)CCCCC(=O)N MCULE-5796308812 [0,0,0,0,0,2|1,0,0]=3 4962 B9R0.55 CC(C)CCCCC(=O)O MCULE-9552597130 [0,0,0,0,0,2|0,0,0]=2 4963 B9R0.55 CC(C)CCOCC(=O)O MCULE-8263995178 [0,0,0,0,0,2|0,0,0]=2 4964 B9R0.55 CC(C)CCSCC(=O)O MCULE-6718693744 [0,0,0,0,0,2|0,0,0]=2 4965 B9R0.55 CC(C)CNCCC(=O)O MCULE-7021054047 [0,0,0,0,0,2|0,0,0]=2 4966 B9R0.55 CC(C)CNCCC(=O)O MCULE-7640501484 [0,0,0,0,0,2|0,0,0]=2 4967 B9R0.55 CC(C)COCCC(=O)O MCULE-6429199224 [0,0,0,0,0,2|0,0,0]=2 4968 B9R0.55 CC(C)CSCCC(=O)O MCULE-9529480904 [0,0,0,0,0,2|0,0,0]=2 4969 B9R0.55 CC(C)NCCCC(=O)O MCULE-4053268267 [0,0,0,0,0,2|0,0,0]=2 4970 B9R0.55 CC(C)NCCCC(=O)O MCULE-8505810240 [0,0,0,0,0,2|0,0,0]=2 4971 B9R0.55 CC(C)OCCCC(=O)O MCULE-8577811101 [0,0,0,0,0,2|0,0,0]=2 4972 B9R0.55 CC(C)SCCCC(=O)O MCULE-7082519548 [0,0,0,0,0,2|0,0,0]=2 4973 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [0,0,0,0,0,2|1,0,0]=3 4974 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [0,0,0,0,0,2|1,0,0]=3 4975 B9R0.55 CN(C)CCCCC(=O)O MCULE-9080305665 [0,0,0,0,0,2|1,0,0]=3 4976 B9R0.55 CN(C)CCCCC(=O)O MCULE-9325797900 [0,0,0,0,0,2|1,0,0]=3 4977 B9R0.55 CN(C)CCCNC(=O)N MCULE-7609255843 [0,0,0,0,0,2|2,0,0]=4 4978 B9R0.55 CN(C)CCCNC(=O)N MCULE-8074263689 [0,0,0,0,0,2|2,0,0]=4 4979 B9R0.55 CN(C)CCNCC(=O)O MCULE-6551648059 [0,0,0,0,0,2|1,0,0]=3 4980 B9R0.55 CN(C)CCNCC(=O)O MCULE-7040720736 [0,0,0,0,0,2|1,0,0]=3 4981 B9R0.55 CN(C)CCOCC(=O)O MCULE-6117066964 [0,0,0,0,0,2|1,0,0]=3 4982 B9R0.55 CN(C)CCSCC(=O)O MCULE-5970767298 [0,0,0,0,0,2|1,0,0]=3 4983 B9R0.55 CN(C)CCSCC(=O)O MCULE-6364036095 [0,0,0,0,0,2|1,0,0]=3 4984 B9R0.55 O=C(O)CCCCC(F)F MCULE-4491962830 [0,0,0,0,0,2|2,0,0]=4 4985 B9R0.55 O=C(O)CCOCC(F)F MCULE-5247096062 [0,0,0,0,0,2|2,0,0]=4