0 B4R0.1 BrC=C(Br)Br MCULE-9536958233 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 BrCC(Br)Br MCULE-1904439252 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 C#CB(O)O MCULE-2503425015 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 C#CC(=C)C MCULE-6826835331 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C#CC(=O)C MCULE-1296030711 [0,0,0,0,0,0|1,0,3]=4 5 B4R0.1 C#CC(=O)O MCULE-8764256624 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 C#CC(C)Br MCULE-6701225038 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 C#CC(C)C MCULE-4600802925 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 C#CC(C)Cl MCULE-2069451312 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 C#CC(C)N MCULE-5174459541 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 C#CC(C)N MCULE-7552261137 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C#CC(C)N MCULE-8458008104 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 C#CC(C)N MCULE-8872781976 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 C#CC(C)O MCULE-6692690957 [0,0,0,0,0,0|1,0,1]=2 14 B4R0.1 C#CC(C)O MCULE-8115962170 [0,0,0,0,0,0|1,0,1]=2 15 B4R0.1 C#C[C@@H](C)N MCULE-1688945745 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 C#C[C@@H](C)N MCULE-2648127023 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 C#C[C@@H](C)N MCULE-4450167680 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 C#C[C@@H](C)N MCULE-5940189329 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.1 C#C[C@@H](C)O MCULE-3014030718 [0,0,0,0,0,0|1,0,1]=2 20 B4R0.1 C#C[C@@H](C)O MCULE-5925379513 [0,0,0,0,0,0|1,0,1]=2 21 B4R0.1 C#C[C@H](C)N MCULE-1256303297 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 C#C[C@H](C)N MCULE-4223264163 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 C#C[C@H](C)N MCULE-9450573338 [0,0,0,0,0,0|2,0,1]=3 24 B4R0.1 C#C[C@H](C)N MCULE-9795039145 [0,0,0,0,0,0|2,0,1]=3 25 B4R0.1 C#C[C@H](C)O MCULE-3264536845 [0,0,0,0,0,0|1,0,1]=2 26 B4R0.1 C(C)(N)CN MCULE-5877041140 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.1 C(C)(N)CO MCULE-5844242932 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [0,0,0,0,0,0|2,0,2]=4 31 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [0,0,0,0,0,0|2,0,2]=4 32 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [0,0,0,0,0,0|2,0,2]=4 33 B4R0.1 C=C(Br)CBr MCULE-1222617820 [0,0,0,0,0,0|1,0,2]=3 34 B4R0.1 C=C(Br)CC MCULE-6271946451 [0,0,0,0,0,0|2,0,2]=4 35 B4R0.1 C=C(Br)CN MCULE-1170417597 [0,0,0,0,0,0|2,0,2]=4 36 B4R0.1 C=C(Br)CN MCULE-9190049156 [0,0,0,0,0,0|2,0,2]=4 37 B4R0.1 C=C(Br)CO MCULE-7763893047 [0,0,0,0,0,0|2,0,2]=4 38 B4R0.1 C=C(C)C#N MCULE-9177849910 [0,0,0,0,0,0|2,0,2]=4 39 B4R0.1 C=C(C)C=O MCULE-3758355501 [0,0,0,0,0,0|2,0,2]=4 40 B4R0.1 C=C(C)CBr MCULE-1361893863 [0,0,0,0,0,0|1,0,1]=2 41 B4R0.1 C=C(C)CCl MCULE-5586406339 [0,0,0,0,0,0|1,1,1]=3 42 B4R0.1 C=C(C)CI MCULE-3678124406 [0,0,0,0,0,0|1,1,1]=3 43 B4R0.1 C=C(C)CN MCULE-1033495975 [0,0,0,0,0,0|2,0,1]=3 44 B4R0.1 C=C(C)CN MCULE-8730181300 [0,0,0,0,0,0|2,0,1]=3 45 B4R0.1 C=C(C)CO MCULE-8641288398 [0,0,0,0,0,0|2,0,1]=3 46 B4R0.1 C=C(C)CS MCULE-5174170431 [0,0,0,0,0,0|2,0,1]=3 47 B4R0.1 C=C(C)OC MCULE-7344104255 [0,0,0,0,0,0|3,0,1]=4 48 B4R0.1 C=C(Cl)CBr MCULE-9398157024 [0,0,0,0,0,0|1,0,2]=3 49 B4R0.1 C=C(Cl)CCl MCULE-4210429118 [0,0,0,0,0,0|1,1,2]=4 50 B4R0.1 C=C(Cl)CI MCULE-1908004565 [0,0,0,0,0,0|1,1,2]=4 51 B4R0.1 C=C(Cl)CN MCULE-2159410121 [0,0,0,0,0,0|2,0,2]=4 52 B4R0.1 C=C(Cl)CN MCULE-3454023553 [0,0,0,0,0,0|2,0,2]=4 53 B4R0.1 C=C(Cl)CO MCULE-8813337564 [0,0,0,0,0,0|2,0,2]=4 54 B4R0.1 C=C(F)CBr MCULE-6528430141 [0,0,0,0,0,0|1,0,2]=3 55 B4R0.1 C=C(F)CCl MCULE-4499400030 [0,0,0,0,0,0|1,1,2]=4 56 B4R0.1 C=C(F)CN MCULE-1603171858 [0,0,0,0,0,0|2,0,2]=4 57 B4R0.1 C=C(F)CN MCULE-3878727292 [0,0,0,0,0,0|2,0,2]=4 58 B4R0.1 C=C(F)CO MCULE-2779963696 [0,0,0,0,0,0|2,0,2]=4 59 B4R0.1 C=C(I)CO MCULE-2533897125 [0,0,0,0,0,0|2,0,2]=4 60 B4R0.1 C=C=C(C)C MCULE-8705186354 [0,0,0,0,0,0|2,0,2]=4 61 B4R0.1 C=CB(O)O MCULE-2531600001 [0,0,0,0,0,0|3,0,1]=4 62 B4R0.1 C=CC(=C)C MCULE-1668999564 [0,0,0,0,0,0|2,0,2]=4 63 B4R0.1 C=CC(=O)C MCULE-4924646293 [0,0,0,0,0,0|1,0,3]=4 64 B4R0.1 C=CC(=O)O MCULE-9352227082 [0,0,0,0,0,0|2,0,2]=4 65 B4R0.1 C=CC(C)Cl MCULE-1756172983 [0,0,0,0,0,0|2,0,1]=3 66 B4R0.1 C=CC(C)N MCULE-5748048106 [0,0,0,0,0,0|2,0,1]=3 67 B4R0.1 C=CC(C)N MCULE-6786590923 [0,0,0,0,0,0|2,0,1]=3 68 B4R0.1 C=CC(C)O MCULE-4525368256 [0,0,0,0,0,0|1,0,1]=2 69 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [0,0,0,0,0,0|2,0,1]=3 70 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [0,0,0,0,0,0|2,0,1]=3 71 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [0,0,0,0,0,0|2,0,1]=3 72 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [0,0,0,0,0,0|2,0,1]=3 73 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [0,0,0,0,0,0|2,0,1]=3 74 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [0,0,0,0,0,0|2,0,1]=3 75 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [0,0,0,0,0,0|2,0,1]=3 76 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [0,0,0,0,0,0|2,0,1]=3 77 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [0,0,0,0,0,0|1,0,1]=2 78 B4R0.1 C=NN(C)C MCULE-4915917395 [0,0,0,0,0,0|4,0,0]=4 79 B4R0.1 CC(=CBr)C MCULE-9508381610 [0,0,0,0,0,0|1,0,2]=3 80 B4R0.1 CC(=CCl)C MCULE-4321554138 [0,0,0,0,0,0|1,1,2]=4 81 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [0,0,0,0,0,0|1,1,2]=4 82 B4R0.1 CC(=N)NN MCULE-2302306720 [0,0,0,0,0,0|3,0,1]=4 83 B4R0.1 CC(=N)NN MCULE-5362481009 [0,0,0,0,0,0|3,0,1]=4 84 B4R0.1 CC(=NN)C MCULE-8828852790 [0,0,0,0,0,0|3,0,1]=4 85 B4R0.1 CC(=NO)C MCULE-3243100216 [0,0,0,0,0,0|3,0,1]=4 86 B4R0.1 CC(=O)C#N MCULE-6317771757 [0,0,0,0,0,0|1,0,3]=4 87 B4R0.1 CC(=O)C=O MCULE-2718961814 [0,0,0,0,0,0|1,0,3]=4 88 B4R0.1 CC(=O)CBr MCULE-7812920675 [0,0,0,0,0,0|0,0,2]=2 89 B4R0.1 CC(=O)CCl MCULE-2501365933 [0,0,0,0,0,0|0,1,2]=3 90 B4R0.1 CC(=O)CF MCULE-7417279999 [0,0,0,0,0,0|0,1,2]=3 91 B4R0.1 CC(=O)CN MCULE-2715277783 [0,0,0,0,0,0|1,0,2]=3 92 B4R0.1 CC(=O)CN MCULE-6004541862 [0,0,0,0,0,0|1,0,2]=3 93 B4R0.1 CC(=O)CO MCULE-2989526028 [0,0,0,0,0,0|1,0,2]=3 94 B4R0.1 CC(=O)CS MCULE-9736174016 [0,0,0,0,0,0|1,0,2]=3 95 B4R0.1 CC(=O)NBr MCULE-6502070876 [0,0,0,0,0,0|1,0,2]=3 96 B4R0.1 CC(=O)NN MCULE-9183467120 [0,0,0,0,0,0|2,0,2]=4 97 B4R0.1 CC(=O)NO MCULE-2682231025 [0,0,0,0,0,0|2,0,2]=4 98 B4R0.1 CC(=O)OO MCULE-6028338742 [0,0,0,0,0,0|2,0,2]=4 99 B4R0.1 CC(Br)C#N MCULE-2994851090 [0,0,0,0,0,0|2,0,1]=3 100 B4R0.1 CC(Br)C=O MCULE-6060704330 [0,0,0,0,0,0|2,0,1]=3 101 B4R0.1 CC(Br)CBr MCULE-6304574748 [0,0,0,0,0,0|1,0,0]=1 102 B4R0.1 CC(Br)CCl MCULE-8021380791 [0,0,0,0,0,0|1,1,0]=2 103 B4R0.1 CC(Br)CN MCULE-5214613046 [0,0,0,0,0,0|2,0,0]=2 104 B4R0.1 CC(Br)CN MCULE-6326218362 [0,0,0,0,0,0|2,0,0]=2 105 B4R0.1 CC(Br)CO MCULE-8344365003 [0,0,0,0,0,0|2,0,0]=2 106 B4R0.1 CC(C)C#N MCULE-8390118776 [0,0,0,0,0,0|2,0,1]=3 107 B4R0.1 CC(C)C=O MCULE-3575731904 [0,0,0,0,0,0|2,0,1]=3 108 B4R0.1 CC(C)CBr MCULE-6039420480 [0,0,0,0,0,0|1,0,0]=1 109 B4R0.1 CC(C)CCl MCULE-6524976746 [0,0,0,0,0,0|1,1,0]=2 110 B4R0.1 CC(C)CI MCULE-5280589461 [0,0,0,0,0,0|1,1,0]=2 111 B4R0.1 CC(C)CN MCULE-2158650588 [0,0,0,0,0,0|2,0,0]=2 112 B4R0.1 CC(C)CN MCULE-6751437658 [0,0,0,0,0,0|2,0,0]=2 113 B4R0.1 CC(C)CN MCULE-8319193456 [0,0,0,0,0,0|2,0,0]=2 114 B4R0.1 CC(C)CN MCULE-8705657065 [0,0,0,0,0,0|2,0,0]=2 115 B4R0.1 CC(C)CO MCULE-6294327194 [0,0,0,0,0,0|2,0,0]=2 116 B4R0.1 CC(C)CP MCULE-3724358658 [0,0,0,0,0,0|2,0,0]=2 117 B4R0.1 CC(C)CS MCULE-7978911055 [0,0,0,0,0,0|2,0,0]=2 118 B4R0.1 CC(C)NN MCULE-4673953224 [0,0,0,0,0,0|3,0,0]=3 119 B4R0.1 CC(C)NN MCULE-7901160798 [0,0,0,0,0,0|3,0,0]=3 120 B4R0.1 CC(C)NN MCULE-9473118288 [0,0,0,0,0,0|3,0,0]=3 121 B4R0.1 CC(C)NO MCULE-6516566403 [0,0,0,0,0,0|3,0,0]=3 122 B4R0.1 CC(C)NO MCULE-8545146035 [0,0,0,0,0,0|3,0,0]=3 123 B4R0.1 CC(C)ON MCULE-4063407094 [0,0,0,0,0,0|3,0,0]=3 124 B4R0.1 CC(C)ON MCULE-9108231771 [0,0,0,0,0,0|3,0,0]=3 125 B4R0.1 CC(C)O[NH3+] MCULE-7527132972 [0,0,0,0,0,0|3,0,0]=3 126 B4R0.1 CC(C)O[NH3+] MCULE-8847326857 [0,0,0,0,0,0|3,0,0]=3 127 B4R0.1 CC(Cl)C#N MCULE-9841634909 [0,0,0,0,0,0|2,0,1]=3 128 B4R0.1 CC(Cl)CBr MCULE-8474943880 [0,0,0,0,0,0|1,0,0]=1 129 B4R0.1 CC(Cl)CCl MCULE-1548912109 [0,0,0,0,0,0|1,1,0]=2 130 B4R0.1 CC(Cl)CN MCULE-2637316379 [0,0,0,0,0,0|2,0,0]=2 131 B4R0.1 CC(Cl)CN MCULE-5591419030 [0,0,0,0,0,0|2,0,0]=2 132 B4R0.1 CC(Cl)CO MCULE-3857255988 [0,0,0,0,0,0|2,0,0]=2 133 B4R0.1 CC(Cl)CO MCULE-7538548427 [0,0,0,0,0,0|2,0,0]=2 134 B4R0.1 CC(F)CN MCULE-6584490651 [0,0,0,0,0,0|2,0,0]=2 135 B4R0.1 CC(F)CN MCULE-9499916116 [0,0,0,0,0,0|2,0,0]=2 136 B4R0.1 CC(F)CO MCULE-6006763378 [0,0,0,0,0,0|2,0,0]=2 137 B4R0.1 CC(N)C#N MCULE-4008524363 [0,0,0,0,0,0|2,0,1]=3 138 B4R0.1 CC(N)C#N MCULE-8654767875 [0,0,0,0,0,0|2,0,1]=3 139 B4R0.1 CC(N)C=O MCULE-3421118418 [0,0,0,0,0,0|2,0,1]=3 140 B4R0.1 CC(N)CBr MCULE-1783493149 [0,0,0,0,0,0|1,0,0]=1 141 B4R0.1 CC(N)CBr MCULE-2775398297 [0,0,0,0,0,0|1,0,0]=1 142 B4R0.1 CC(N)CCl MCULE-8652434595 [0,0,0,0,0,0|1,1,0]=2 143 B4R0.1 CC(N)CCl MCULE-9580466630 [0,0,0,0,0,0|1,1,0]=2 144 B4R0.1 CC(N)CF MCULE-1603143200 [0,0,0,0,0,0|1,1,0]=2 145 B4R0.1 CC(N)CF MCULE-3787216870 [0,0,0,0,0,0|1,1,0]=2 146 B4R0.1 CC(N)CF MCULE-4138869746 [0,0,0,0,0,0|1,1,0]=2 147 B4R0.1 CC(N)CF MCULE-8611760275 [0,0,0,0,0,0|1,1,0]=2 148 B4R0.1 CC(N)CN MCULE-2119036110 [0,0,0,0,0,0|2,0,0]=2 149 B4R0.1 CC(N)CN MCULE-6286216576 [0,0,0,0,0,0|2,0,0]=2 150 B4R0.1 CC(N)CN MCULE-9919433465 [0,0,0,0,0,0|2,0,0]=2 151 B4R0.1 CC(N)CO MCULE-1361379423 [0,0,0,0,0,0|2,0,0]=2 152 B4R0.1 CC(N)CO MCULE-2098440985 [0,0,0,0,0,0|2,0,0]=2 153 B4R0.1 CC(N)CS MCULE-1396853557 [0,0,0,0,0,0|2,0,0]=2 154 B4R0.1 CC(N)CS MCULE-4094732666 [0,0,0,0,0,0|2,0,0]=2 155 B4R0.1 CC(O)C#N MCULE-3166802314 [0,0,0,0,0,0|1,0,1]=2 156 B4R0.1 CC(O)CBr MCULE-7835094737 [0,0,0,0,0,0|0,0,0]=0 157 B4R0.1 CC(O)CCl MCULE-9140807958 [0,0,0,0,0,0|0,1,0]=1 158 B4R0.1 CC(O)CF MCULE-1023052065 [0,0,0,0,0,0|0,1,0]=1 159 B4R0.1 CC(O)CN MCULE-4370440652 [0,0,0,0,0,0|1,0,0]=1 160 B4R0.1 CC(O)CN MCULE-5694317743 [0,0,0,0,0,0|1,0,0]=1 161 B4R0.1 CC(O)CN MCULE-6406041538 [0,0,0,0,0,0|1,0,0]=1 162 B4R0.1 CC(O)CN MCULE-6636652305 [0,0,0,0,0,0|1,0,0]=1 163 B4R0.1 CC(O)CO MCULE-5574440784 [0,0,0,0,0,0|1,0,0]=1 164 B4R0.1 CC(O)CO MCULE-8743139013 [0,0,0,0,0,0|1,0,0]=1 165 B4R0.1 CC(O)CS MCULE-7881083356 [0,0,0,0,0,0|1,0,0]=1 166 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [0,0,0,0,0,0|1,0,0]=1 167 B4R0.1 CC(S)CN MCULE-1957568322 [0,0,0,0,0,0|1,1,0]=2 168 B4R0.1 CC(S)CN MCULE-7469442412 [0,0,0,0,0,0|1,1,0]=2 169 B4R0.1 CC(S)CO MCULE-5090908062 [0,0,0,0,0,0|1,1,0]=2 170 B4R0.1 CC(S)CS MCULE-9264694858 [0,0,0,0,0,0|1,1,0]=2 171 B4R0.1 CC=C(C)Br MCULE-1371905211 [0,0,0,0,0,0|2,0,2]=4 172 B4R0.1 CC=C(C)C MCULE-4230157245 [0,0,0,0,0,0|2,0,2]=4 173 B4R0.1 CC=C(C)Cl MCULE-3844314543 [0,0,0,0,0,0|2,0,2]=4 174 B4R0.1 CCB(O)O MCULE-1650960999 [0,0,0,0,0,0|3,0,0]=3 175 B4R0.1 CCC(=N)N MCULE-1856575742 [0,0,0,0,0,0|3,0,1]=4 176 B4R0.1 CCC(=N)N MCULE-2534386807 [0,0,0,0,0,0|3,0,1]=4 177 B4R0.1 CCC(=O)Br MCULE-7870678619 [0,0,0,0,0,0|2,0,2]=4 178 B4R0.1 CCC(=O)C MCULE-8276670748 [0,0,0,0,0,0|1,0,2]=3 179 B4R0.1 CCC(=O)Cl MCULE-3081874391 [0,0,0,0,0,0|2,0,2]=4 180 B4R0.1 CCC(=O)F MCULE-8783887670 [0,0,0,0,0,0|2,0,2]=4 181 B4R0.1 CCC(=O)N MCULE-3730796130 [0,0,0,0,0,0|2,0,2]=4 182 B4R0.1 CCC(=O)O MCULE-2199051150 [0,0,0,0,0,0|2,0,1]=3 183 B4R0.1 CCC(=O)O MCULE-9800054040 [0,0,0,0,0,0|2,0,1]=3 184 B4R0.1 CCC(=O)S MCULE-3392119766 [0,0,0,0,0,0|2,0,2]=4 185 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [0,0,0,0,0,0|2,0,2]=4 186 B4R0.1 CCC(=S)N MCULE-3921479699 [0,0,0,0,0,0|2,1,1]=4 187 B4R0.1 CCC(C)Br MCULE-9661620259 [0,0,0,0,0,0|2,0,0]=2 188 B4R0.1 CCC(C)C MCULE-5376105936 [0,0,0,0,0,0|2,0,0]=2 189 B4R0.1 CCC(C)Cl MCULE-2954418486 [0,0,0,0,0,0|2,0,0]=2 190 B4R0.1 CCC(C)I MCULE-5239699587 [0,0,0,0,0,0|2,0,0]=2 191 B4R0.1 CCC(C)N MCULE-5041676035 [0,0,0,0,0,0|2,0,0]=2 192 B4R0.1 CCC(C)N MCULE-5835091553 [0,0,0,0,0,0|2,0,0]=2 193 B4R0.1 CCC(C)N MCULE-6631606230 [0,0,0,0,0,0|2,0,0]=2 194 B4R0.1 CCC(C)N MCULE-8165681721 [0,0,0,0,0,0|2,0,0]=2 195 B4R0.1 CCC(C)O MCULE-4099350806 [0,0,0,0,0,0|1,0,0]=1 196 B4R0.1 CCC(C)O MCULE-5005120003 [0,0,0,0,0,0|1,0,0]=1 197 B4R0.1 CCC(C)S MCULE-4988033753 [0,0,0,0,0,0|1,1,0]=2 198 B4R0.1 CCN(=O)=O MCULE-6603591614 [0,0,0,0,0,0|3,0,1]=4 199 B4R0.1 CCN(C)C MCULE-5825033552 [0,0,0,0,0,0|3,0,0]=3 200 B4R0.1 CCN(C)N MCULE-2279492356 [0,0,0,0,0,0|3,0,0]=3 201 B4R0.1 CCN(C)N MCULE-5660338703 [0,0,0,0,0,0|3,0,0]=3 202 B4R0.1 CCN(C)N MCULE-9839987578 [0,0,0,0,0,0|3,0,0]=3 203 B4R0.1 CCS(=O)C MCULE-4400935745 [0,0,0,0,0,0|2,0,1]=3 204 B4R0.1 CCS(=O)O MCULE-9872932319 [0,0,0,0,0,0|3,0,0]=3 205 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [0,0,0,0,0,0|3,0,1]=4 206 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [0,0,0,0,0,0|2,0,0]=2 207 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [0,0,0,0,0,0|2,0,0]=2 208 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [0,0,0,0,0,0|2,0,0]=2 209 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [0,0,0,0,0,0|2,0,0]=2 210 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [0,0,0,0,0,0|1,0,0]=1 211 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [0,0,0,0,0,0|1,0,0]=1 212 B4R0.1 CC[C@H](C)N MCULE-2450201533 [0,0,0,0,0,0|2,0,0]=2 213 B4R0.1 CC[C@H](C)N MCULE-2998961427 [0,0,0,0,0,0|2,0,0]=2 214 B4R0.1 CC[C@H](C)N MCULE-6692190471 [0,0,0,0,0,0|2,0,0]=2 215 B4R0.1 CC[C@H](C)N MCULE-6904795465 [0,0,0,0,0,0|2,0,0]=2 216 B4R0.1 CC[C@H](C)O MCULE-3700911573 [0,0,0,0,0,0|1,0,0]=1 217 B4R0.1 CC[C@H](C)O MCULE-6063716138 [0,0,0,0,0,0|1,0,0]=1 218 B4R0.1 CN(C)C#N MCULE-2744421860 [0,0,0,0,0,0|3,0,1]=4 219 B4R0.1 CN(C)C=O MCULE-6290117712 [0,0,0,0,0,0|3,0,1]=4 220 B4R0.1 CN(C)C=S MCULE-3571847382 [0,0,0,0,0,0|3,0,1]=4 221 B4R0.1 CN(C)CCl MCULE-4906480184 [0,0,0,0,0,0|2,1,0]=3 222 B4R0.1 CN(C)CCl MCULE-5465672480 [0,0,0,0,0,0|2,1,0]=3 223 B4R0.1 CN(C)N=O MCULE-1157726226 [0,0,0,0,0,0|4,0,0]=4 224 B4R0.1 CN(N)C=O MCULE-6353057165 [0,0,0,0,0,0|3,0,1]=4 225 B4R0.1 CNC(=O)C MCULE-2612997941 [0,0,0,0,0,0|2,0,2]=4 226 B4R0.1 CNC(=S)C MCULE-8699171591 [0,0,0,0,0,0|2,1,1]=4 227 B4R0.1 CNC(C)C MCULE-3849513543 [0,0,0,0,0,0|3,0,0]=3 228 B4R0.1 CNN(C)C MCULE-7120869955 [0,0,0,0,0,0|4,0,0]=4 229 B4R0.1 CNN(C)C MCULE-8318926099 [0,0,0,0,0,0|4,0,0]=4 230 B4R0.1 COC(=N)C MCULE-2752794913 [0,0,0,0,0,0|3,0,1]=4 231 B4R0.1 COC(=N)C MCULE-2904991083 [0,0,0,0,0,0|3,0,1]=4 232 B4R0.1 COC(=O)C MCULE-7368066093 [0,0,0,0,0,0|2,0,2]=4 233 B4R0.1 COC(C)Cl MCULE-9043930044 [0,0,0,0,0,0|3,0,0]=3 234 B4R0.1 COC(Cl)Cl MCULE-7296291650 [0,0,0,0,0,0|4,0,0]=4 235 B4R0.1 CSC(=O)C MCULE-7061634598 [0,0,0,0,0,0|2,0,2]=4 236 B4R0.1 CSC(=S)C MCULE-4836153374 [0,0,0,0,0,0|2,1,1]=4 237 B4R0.1 CSC(C)C MCULE-5932565699 [0,0,0,0,0,0|3,0,0]=3 238 B4R0.1 CSS(=O)C MCULE-6515592458 [0,0,0,0,0,0|3,0,1]=4 239 B4R0.1 CS[S+](C)C MCULE-1869043585 [0,0,0,0,0,0|4,0,0]=4 240 B4R0.1 CS[S+](C)C MCULE-4164877790 [0,0,0,0,0,0|4,0,0]=4 241 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [0,0,0,0,0,0|2,0,0]=2 242 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [0,0,0,0,0,0|2,0,0]=2 243 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [0,0,0,0,0,0|2,0,0]=2 244 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [0,0,0,0,0,0|2,0,0]=2 245 B4R0.1 C[C@@H](N)C#N MCULE-4366493733 [0,0,0,0,0,0|2,0,1]=3 246 B4R0.1 C[C@@H](N)C#N MCULE-4475438132 [0,0,0,0,0,0|2,0,1]=3 247 B4R0.1 C[C@@H](N)C#N MCULE-8152568021 [0,0,0,0,0,0|2,0,1]=3 248 B4R0.1 C[C@@H](N)C#N MCULE-9327848803 [0,0,0,0,0,0|2,0,1]=3 249 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [0,0,0,0,0,0|1,1,0]=2 250 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [0,0,0,0,0,0|1,1,0]=2 251 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [0,0,0,0,0,0|1,1,0]=2 252 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [0,0,0,0,0,0|1,1,0]=2 253 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [0,0,0,0,0,0|2,0,0]=2 254 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [0,0,0,0,0,0|2,0,0]=2 255 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [0,0,0,0,0,0|2,0,0]=2 256 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [0,0,0,0,0,0|2,0,0]=2 257 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [0,0,0,0,0,0|2,0,0]=2 258 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [0,0,0,0,0,0|2,0,0]=2 259 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [0,0,0,0,0,0|1,0,1]=2 260 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [0,0,0,0,0,0|0,1,0]=1 261 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [0,0,0,0,0,0|0,1,0]=1 262 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [0,0,0,0,0,0|1,0,0]=1 263 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [0,0,0,0,0,0|1,0,0]=1 264 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [0,0,0,0,0,0|1,0,0]=1 265 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [0,0,0,0,0,0|1,0,0]=1 266 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [0,0,0,0,0,0|2,0,0]=2 267 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [0,0,0,0,0,0|2,0,0]=2 268 B4R0.1 C[C@H](F)CO MCULE-1024261541 [0,0,0,0,0,0|2,0,0]=2 269 B4R0.1 C[C@H](F)CO MCULE-7028098137 [0,0,0,0,0,0|2,0,0]=2 270 B4R0.1 C[C@H](N)C#N MCULE-2449963253 [0,0,0,0,0,0|2,0,1]=3 271 B4R0.1 C[C@H](N)C#N MCULE-3624286995 [0,0,0,0,0,0|2,0,1]=3 272 B4R0.1 C[C@H](N)CF MCULE-1053227516 [0,0,0,0,0,0|1,1,0]=2 273 B4R0.1 C[C@H](N)CF MCULE-4024916343 [0,0,0,0,0,0|1,1,0]=2 274 B4R0.1 C[C@H](N)CF MCULE-6312285034 [0,0,0,0,0,0|1,1,0]=2 275 B4R0.1 C[C@H](N)CF MCULE-7630744199 [0,0,0,0,0,0|1,1,0]=2 276 B4R0.1 C[C@H](N)CN MCULE-2048837128 [0,0,0,0,0,0|2,0,0]=2 277 B4R0.1 C[C@H](N)CN MCULE-4105152552 [0,0,0,0,0,0|2,0,0]=2 278 B4R0.1 C[C@H](N)CN MCULE-7106390536 [0,0,0,0,0,0|2,0,0]=2 279 B4R0.1 C[C@H](N)CN MCULE-9863306005 [0,0,0,0,0,0|2,0,0]=2 280 B4R0.1 C[C@H](N)CO MCULE-2471107013 [0,0,0,0,0,0|2,0,0]=2 281 B4R0.1 C[C@H](N)CO MCULE-5424195678 [0,0,0,0,0,0|2,0,0]=2 282 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [0,0,0,0,0,0|0,1,0]=1 283 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [0,0,0,0,0,0|0,1,0]=1 284 B4R0.1 C[C@H](O)CN MCULE-3227371869 [0,0,0,0,0,0|1,0,0]=1 285 B4R0.1 C[C@H](O)CN MCULE-5480489257 [0,0,0,0,0,0|1,0,0]=1 286 B4R0.1 C[C@H](O)CO MCULE-6582852191 [0,0,0,0,0,0|1,0,0]=1 287 B4R0.1 C[C@H](O)CO MCULE-8074793296 [0,0,0,0,0,0|1,0,0]=1 288 B4R0.1 C[C@H](O)CS MCULE-9061842733 [0,0,0,0,0,0|1,0,0]=1 289 B4R0.1 C[N+](=CBr)C MCULE-4078543172 [0,0,0,0,0,0|2,0,1]=3 290 B4R0.1 C[N+](=CBr)C MCULE-9146783444 [0,0,0,0,0,0|2,0,1]=3 291 B4R0.1 C[N+](=CCl)C MCULE-5768539789 [0,0,0,0,0,0|2,1,1]=4 292 B4R0.1 C[N+](=CCl)C MCULE-6936774679 [0,0,0,0,0,0|2,1,1]=4 293 B4R0.1 ClC(Br)CBr MCULE-4330156086 [0,0,0,0,0,0|2,0,0]=2 294 B4R0.1 ClC(Cl)CBr MCULE-8368261609 [0,0,0,0,0,0|2,0,0]=2 295 B4R0.1 ClCC(Cl)Cl MCULE-9302905435 [0,0,0,0,0,0|2,1,0]=3 296 B4R0.1 FC(=CBr)F MCULE-5114290777 [0,0,0,0,0,0|2,0,2]=4 297 B4R0.1 FC(Br)CBr MCULE-2977436061 [0,0,0,0,0,0|2,0,0]=2 298 B4R0.1 FC(Cl)CCl MCULE-6531960916 [0,0,0,0,0,0|2,1,0]=3 299 B4R0.1 FC(F)CBr MCULE-5166579689 [0,0,0,0,0,0|2,0,0]=2 300 B4R0.1 FC(F)CI MCULE-4051435294 [0,0,0,0,0,0|2,1,0]=3 301 B4R0.1 FCC(F)Cl MCULE-7439685421 [0,0,0,0,0,0|2,1,0]=3 302 B4R0.1 N#CC(Br)Br MCULE-1800101830 [0,0,0,0,0,0|3,0,1]=4 303 B4R0.1 N#CC(Cl)Br MCULE-6538424845 [0,0,0,0,0,0|3,0,1]=4 304 B4R0.1 N#CC(Cl)Cl MCULE-3471096624 [0,0,0,0,0,0|3,0,1]=4 305 B4R0.1 N#CC(F)Br MCULE-1171252970 [0,0,0,0,0,0|3,0,1]=4 306 B4R0.1 N#CC(F)Cl MCULE-4476744422 [0,0,0,0,0,0|3,0,1]=4 307 B4R0.1 N#CC(F)F MCULE-9223110695 [0,0,0,0,0,0|3,0,1]=4 308 B4R0.1 N=C(N)CCl MCULE-1495198330 [0,0,0,0,0,0|2,1,1]=4 309 B4R0.1 N=C(N)CCl MCULE-2087468158 [0,0,0,0,0,0|2,1,1]=4 310 B4R0.1 N=C(N)CF MCULE-4489534021 [0,0,0,0,0,0|2,1,1]=4 311 B4R0.1 N=C(N)CF MCULE-8858704396 [0,0,0,0,0,0|2,1,1]=4 312 B4R0.1 N=C(N)CN MCULE-2761790792 [0,0,0,0,0,0|3,0,1]=4 313 B4R0.1 N=C(N)CN MCULE-5131841850 [0,0,0,0,0,0|3,0,1]=4 314 B4R0.1 N=C(N)CN MCULE-6618111844 [0,0,0,0,0,0|3,0,1]=4 315 B4R0.1 N=C(N)CO MCULE-5146395919 [0,0,0,0,0,0|3,0,1]=4 316 B4R0.1 N=C(N)CO MCULE-8814507460 [0,0,0,0,0,0|3,0,1]=4 317 B4R0.1 NC(=O)CBr MCULE-9306090536 [0,0,0,0,0,0|1,0,2]=3 318 B4R0.1 NC(=O)CCl MCULE-3241549842 [0,0,0,0,0,0|1,1,2]=4 319 B4R0.1 NC(=O)CF MCULE-3344212657 [0,0,0,0,0,0|1,1,2]=4 320 B4R0.1 NC(=O)CI MCULE-4217973413 [0,0,0,0,0,0|1,1,2]=4 321 B4R0.1 NC(=O)CO MCULE-2739878376 [0,0,0,0,0,0|2,0,2]=4 322 B4R0.1 NC(=O)CS MCULE-2639305532 [0,0,0,0,0,0|2,0,2]=4 323 B4R0.1 NC(=S)CF MCULE-7873791134 [0,0,0,0,0,0|1,2,1]=4 324 B4R0.1 NC(=S)CO MCULE-9301705313 [0,0,0,0,0,0|2,1,1]=4 325 B4R0.1 NCC(=O)N MCULE-1048848056 [0,0,0,0,0,0|2,0,2]=4 326 B4R0.1 NCC(=O)N MCULE-2174395809 [0,0,0,0,0,0|2,0,2]=4 327 B4R0.1 NCC(=O)N MCULE-6113166250 [0,0,0,0,0,0|2,0,2]=4 328 B4R0.1 NCC(=O)O MCULE-2415764032 [0,0,0,0,0,0|2,0,1]=3 329 B4R0.1 NCC(=O)O MCULE-3643110755 [0,0,0,0,0,0|2,0,1]=3 330 B4R0.1 NCC(=O)O MCULE-4349255299 [0,0,0,0,0,0|2,0,1]=3 331 B4R0.1 NCC(=O)O MCULE-9146223615 [0,0,0,0,0,0|2,0,1]=3 332 B4R0.1 NCC(=O)O MCULE-9701991737 [0,0,0,0,0,0|2,0,1]=3 333 B4R0.1 NCC(=O)S MCULE-9837799864 [0,0,0,0,0,0|2,0,2]=4 334 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [0,0,0,0,0,0|2,0,2]=4 335 B4R0.1 NCC(Cl)Cl MCULE-6022785182 [0,0,0,0,0,0|3,0,0]=3 336 B4R0.1 NCC(Cl)Cl MCULE-8181626787 [0,0,0,0,0,0|3,0,0]=3 337 B4R0.1 NCC(F)F MCULE-5562582586 [0,0,0,0,0,0|3,0,0]=3 338 B4R0.1 NCC(F)F MCULE-9437628707 [0,0,0,0,0,0|3,0,0]=3 339 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [0,0,0,0,0,0|3,0,1]=4 340 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [0,0,0,0,0,0|3,0,1]=4 341 B4R0.1 O=C(Br)CBr MCULE-6031858200 [0,0,0,0,0,0|1,0,2]=3 342 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [0,0,0,0,0,0|1,0,2]=3 343 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [0,0,0,0,0,0|1,1,2]=4 344 B4R0.1 O=C(Cl)CF MCULE-7182087882 [0,0,0,0,0,0|1,1,2]=4 345 B4R0.1 O=C(Cl)CI MCULE-5719121455 [0,0,0,0,0,0|1,1,2]=4 346 B4R0.1 O=C(O)CBr MCULE-1503716137 [0,0,0,0,0,0|1,0,1]=2 347 B4R0.1 O=C(O)CCl MCULE-9228754880 [0,0,0,0,0,0|1,1,1]=3 348 B4R0.1 O=C(O)CF MCULE-6584094437 [0,0,0,0,0,0|1,1,1]=3 349 B4R0.1 O=C(O)CI MCULE-3146792857 [0,0,0,0,0,0|1,1,1]=3 350 B4R0.1 O=C(O)CO MCULE-9792551388 [0,0,0,0,0,0|2,0,1]=3 351 B4R0.1 O=C(O)CS MCULE-8097997001 [0,0,0,0,0,0|2,0,1]=3 352 B4R0.1 O=C([O-])CF MCULE-8428965857 [0,0,0,0,0,0|1,1,2]=4 353 B4R0.1 O=C([O-])CO MCULE-2780567509 [0,0,0,0,0,0|2,0,2]=4 354 B4R0.1 O=C([O-])CS MCULE-3314809220 [0,0,0,0,0,0|2,0,2]=4 355 B4R0.1 O=C([O-])CS MCULE-5989133747 [0,0,0,0,0,0|2,0,2]=4 356 B4R0.1 O=CC(=O)O MCULE-5307898766 [0,0,0,0,0,0|2,0,2]=4 357 B4R0.1 O=CC(Cl)Cl MCULE-7925858204 [0,0,0,0,0,0|3,0,1]=4 358 B4R0.1 O=N(=O)CBr MCULE-5030744397 [0,0,0,0,0,0|2,0,1]=3 359 B4R0.1 O=N(=O)CF MCULE-9920695539 [0,0,0,0,0,0|2,1,1]=4 360 B4R0.1 O=S(O)CO MCULE-4195832185 [0,0,0,0,0,0|3,0,0]=3 361 B4R0.1 O=S([O-])CF MCULE-5711587598 [0,0,0,0,0,0|2,1,1]=4 362 B4R0.1 O=S([O-])CF MCULE-9276464291 [0,0,0,0,0,0|2,1,1]=4 363 B4R0.1 O=S([O-])CO MCULE-5211722344 [0,0,0,0,0,0|3,0,1]=4 364 B4R0.1 OB(O)CCl MCULE-1740750359 [0,0,0,0,0,0|2,1,0]=3 365 B4R0.1 OCC(Cl)Cl MCULE-3279441180 [0,0,0,0,0,0|3,0,0]=3 366 B4R0.1 OCC(F)Br MCULE-5466660542 [0,0,0,0,0,0|3,0,0]=3 367 B4R0.1 OCC(F)F MCULE-3252378943 [0,0,0,0,0,0|3,0,0]=3 368 B4R0.1 P(=O)(O)CN MCULE-5441171864 [0,0,0,0,0,0|3,0,0]=3 369 B4R0.1 [C@@H](C)(O)C#C MCULE-8971134855 [0,0,0,0,0,0|1,0,1]=2 370 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [0,0,0,0,0,0|1,0,0]=1 371 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [0,0,0,0,0,0|2,0,0]=2 372 B3R0.1 Br/C=C/Br MCULE-6284547614 [1,0,0,0,0,0|1,0,2]=4 373 B3R0.1 BrC=CBr MCULE-4478409345 [1,0,0,0,0,0|1,0,2]=4 374 B3R0.1 BrCCBr MCULE-7586462642 [1,0,0,0,0,0|1,0,0]=2 375 B3R0.1 BrCCI MCULE-8691237057 [1,0,0,0,0,0|1,0,0]=2 376 B3R0.1 C#CCBr MCULE-7634822695 [1,0,0,0,0,0|0,0,2]=3 377 B3R0.1 C#CCC MCULE-8090253856 [1,0,0,0,0,0|1,0,1]=3 378 B3R0.1 C#CCCl MCULE-8379017189 [1,0,0,0,0,0|0,1,2]=4 379 B3R0.1 C#CCN MCULE-3201948975 [1,0,0,0,0,0|1,0,2]=4 380 B3R0.1 C#CCN MCULE-6286515491 [1,0,0,0,0,0|1,0,2]=4 381 B3R0.1 C#CCO MCULE-3909200923 [1,0,0,0,0,0|1,0,1]=3 382 B3R0.1 C/B=N/O MCULE-5227399299 [1,0,0,0,0,0|3,0,0]=4 383 B3R0.1 C/C=C/Br MCULE-4076369660 [1,0,0,0,0,0|0,0,2]=3 384 B3R0.1 C/C=N/O MCULE-2376410404 [1,0,0,0,0,0|2,0,1]=4 385 B3R0.1 C=CCBr MCULE-9486454833 [1,0,0,0,0,0|0,0,2]=3 386 B3R0.1 C=CCC MCULE-8167907130 [1,0,0,0,0,0|1,0,1]=3 387 B3R0.1 C=CCCl MCULE-4067772785 [1,0,0,0,0,0|0,1,2]=4 388 B3R0.1 C=CCF MCULE-7783191980 [1,0,0,0,0,0|0,1,2]=4 389 B3R0.1 C=CCI MCULE-5037698873 [1,0,0,0,0,0|0,1,2]=4 390 B3R0.1 C=CCN MCULE-2424616806 [1,0,0,0,0,0|1,0,2]=4 391 B3R0.1 C=CCN MCULE-2473480946 [1,0,0,0,0,0|1,0,2]=4 392 B3R0.1 C=CCO MCULE-2145308838 [1,0,0,0,0,0|1,0,1]=3 393 B3R0.1 C=CCS MCULE-7270484838 [1,0,0,0,0,0|1,0,2]=4 394 B3R0.1 C=COC MCULE-4880746684 [1,0,0,0,0,0|2,0,1]=4 395 B3R0.1 CC#CC MCULE-3721942346 [1,0,0,0,0,0|1,0,2]=4 396 B3R0.1 CC#CI MCULE-4817406645 [1,0,0,0,0,0|0,1,2]=4 397 B3R0.1 CC=CBr MCULE-2098755460 [1,0,0,0,0,0|0,0,2]=3 398 B3R0.1 CC=CCl MCULE-9225887510 [1,0,0,0,0,0|0,1,2]=4 399 B3R0.1 CC=NO MCULE-9761317381 [1,0,0,0,0,0|2,0,1]=4 400 B3R0.1 CCC#N MCULE-9484970536 [1,0,0,0,0,0|1,0,1]=3 401 B3R0.1 CCC=O MCULE-4079744837 [1,0,0,0,0,0|1,0,1]=3 402 B3R0.1 CCCBr MCULE-2393970713 [1,0,0,0,0,0|0,0,0]=1 403 B3R0.1 CCCC MCULE-9760497805 [1,0,0,0,0,0|1,0,0]=2 404 B3R0.1 CCCCl MCULE-3496412829 [1,0,0,0,0,0|0,1,0]=2 405 B3R0.1 CCCF MCULE-8540338768 [1,0,0,0,0,0|0,1,0]=2 406 B3R0.1 CCCI MCULE-1721488805 [1,0,0,0,0,0|0,1,0]=2 407 B3R0.1 CCCN MCULE-2885523792 [1,0,0,0,0,0|1,0,0]=2 408 B3R0.1 CCCN MCULE-4318907091 [1,0,0,0,0,0|1,0,0]=2 409 B3R0.1 CCCN MCULE-6330457870 [1,0,0,0,0,0|1,0,0]=2 410 B3R0.1 CCCN MCULE-7146820007 [1,0,0,0,0,0|1,0,0]=2 411 B3R0.1 CCCO MCULE-6252105126 [1,0,0,0,0,0|1,0,0]=2 412 B3R0.1 CCCS MCULE-8267649092 [1,0,0,0,0,0|1,0,0]=2 413 B3R0.1 CCNC MCULE-7215376398 [1,0,0,0,0,0|2,0,0]=3 414 B3R0.1 CCNC MCULE-9811899205 [1,0,0,0,0,0|2,0,0]=3 415 B3R0.1 CCNN MCULE-4753127904 [1,0,0,0,0,0|2,0,0]=3 416 B3R0.1 CCNN MCULE-7630363192 [1,0,0,0,0,0|2,0,0]=3 417 B3R0.1 CCNN MCULE-8402230944 [1,0,0,0,0,0|2,0,0]=3 418 B3R0.1 CCNO MCULE-1215586669 [1,0,0,0,0,0|2,0,0]=3 419 B3R0.1 CCNO MCULE-7075818857 [1,0,0,0,0,0|2,0,0]=3 420 B3R0.1 CCON MCULE-5316082054 [1,0,0,0,0,0|2,0,0]=3 421 B3R0.1 CCON MCULE-6621418839 [1,0,0,0,0,0|2,0,0]=3 422 B3R0.1 CCO[NH3+] MCULE-7670481464 [1,0,0,0,0,0|2,0,0]=3 423 B3R0.1 CCO[NH3+] MCULE-7871083232 [1,0,0,0,0,0|2,0,0]=3 424 B3R0.1 CCSC MCULE-6944750263 [1,0,0,0,0,0|2,0,0]=3 425 B3R0.1 CN=C=O MCULE-7764606582 [1,0,0,0,0,0|2,0,1]=4 426 B3R0.1 CN=C=S MCULE-6174235995 [1,0,0,0,0,0|2,0,1]=4 427 B3R0.1 CNC#N MCULE-9135475289 [1,0,0,0,0,0|2,0,1]=4 428 B3R0.1 CNC=O MCULE-4739122677 [1,0,0,0,0,0|2,0,1]=4 429 B3R0.1 CNC=S MCULE-1018523469 [1,0,0,0,0,0|2,0,1]=4 430 B3R0.1 CNNC MCULE-5932476941 [1,0,0,0,0,0|3,0,0]=4 431 B3R0.1 CNNC MCULE-6419598860 [1,0,0,0,0,0|3,0,0]=4 432 B3R0.1 CNOC MCULE-1706082503 [1,0,0,0,0,0|3,0,0]=4 433 B3R0.1 CNOC MCULE-6224540090 [1,0,0,0,0,0|3,0,0]=4 434 B3R0.1 COC=O MCULE-9122749354 [1,0,0,0,0,0|2,0,1]=4 435 B3R0.1 COCBr MCULE-2566721472 [1,0,0,0,0,0|1,0,0]=2 436 B3R0.1 COCCl MCULE-5928768006 [1,0,0,0,0,0|1,1,0]=3 437 B3R0.1 COCI MCULE-5215132549 [1,0,0,0,0,0|1,1,0]=3 438 B3R0.1 CSC#N MCULE-3677411130 [1,0,0,0,0,0|2,0,1]=4 439 B3R0.1 CSCCl MCULE-1281800596 [1,0,0,0,0,0|1,1,0]=3 440 B3R0.1 CSSC MCULE-7451882535 [1,0,0,0,0,0|3,0,0]=4 441 B3R0.1 C[Se][Se]C MCULE-1189700302 [1,0,0,0,0,0|3,0,0]=4 442 B3R0.1 ClCCBr MCULE-3933774075 [1,0,0,0,0,0|1,0,0]=2 443 B3R0.1 ClCCCl MCULE-3493741440 [1,0,0,0,0,0|1,1,0]=3 444 B3R0.1 ClCCI MCULE-7847880962 [1,0,0,0,0,0|1,1,0]=3 445 B3R0.1 FC=CBr MCULE-3730796032 [1,0,0,0,0,0|1,0,2]=4 446 B3R0.1 FCCBr MCULE-3117974140 [1,0,0,0,0,0|1,0,0]=2 447 B3R0.1 FCCCl MCULE-1862981403 [1,0,0,0,0,0|1,1,0]=3 448 B3R0.1 FCCF MCULE-1975194621 [1,0,0,0,0,0|1,1,0]=3 449 B3R0.1 FCCI MCULE-3689313503 [1,0,0,0,0,0|1,1,0]=3 450 B3R0.1 ICCI MCULE-8025471988 [1,0,0,0,0,0|1,1,0]=3 451 B3R0.1 N#CCBr MCULE-3684255203 [1,0,0,0,0,0|1,0,1]=3 452 B3R0.1 N#CCCl MCULE-5316147295 [1,0,0,0,0,0|1,1,1]=4 453 B3R0.1 N#CCF MCULE-7784616816 [1,0,0,0,0,0|1,1,1]=4 454 B3R0.1 N#CCI MCULE-4005602243 [1,0,0,0,0,0|1,1,1]=4 455 B3R0.1 N#CCN MCULE-6677928349 [1,0,0,0,0,0|2,0,1]=4 456 B3R0.1 N#CCN MCULE-6699419972 [1,0,0,0,0,0|2,0,1]=4 457 B3R0.1 N/C=N/O MCULE-9567664507 [1,0,0,0,0,0|2,0,1]=4 458 B3R0.1 NCCBr MCULE-3401124597 [1,0,0,0,0,0|1,0,0]=2 459 B3R0.1 NCCBr MCULE-6215378497 [1,0,0,0,0,0|1,0,0]=2 460 B3R0.1 NCCCl MCULE-1458699843 [1,0,0,0,0,0|1,1,0]=3 461 B3R0.1 NCCCl MCULE-6944306112 [1,0,0,0,0,0|1,1,0]=3 462 B3R0.1 NCCF MCULE-1670520169 [1,0,0,0,0,0|1,1,0]=3 463 B3R0.1 NCCF MCULE-4963351029 [1,0,0,0,0,0|1,1,0]=3 464 B3R0.1 NCCI MCULE-6905308399 [1,0,0,0,0,0|1,1,0]=3 465 B3R0.1 NCCI MCULE-7487764362 [1,0,0,0,0,0|1,1,0]=3 466 B3R0.1 NCCN MCULE-4740333723 [1,0,0,0,0,0|2,0,0]=3 467 B3R0.1 NCCN MCULE-6795272853 [1,0,0,0,0,0|2,0,0]=3 468 B3R0.1 NCCN MCULE-8304126024 [1,0,0,0,0,0|2,0,0]=3 469 B3R0.1 NCCN MCULE-8325612144 [1,0,0,0,0,0|2,0,0]=3 470 B3R0.1 NCCO MCULE-5175116598 [1,0,0,0,0,0|1,0,0]=2 471 B3R0.1 NCCO MCULE-8624730373 [1,0,0,0,0,0|1,0,0]=2 472 B3R0.1 NCCS MCULE-1838427828 [1,0,0,0,0,0|1,1,0]=3 473 B3R0.1 NCCS MCULE-2418938683 [1,0,0,0,0,0|1,1,0]=3 474 B3R0.1 O=CCBr MCULE-9076011270 [1,0,0,0,0,0|0,0,2]=3 475 B3R0.1 O=CCCl MCULE-7307216184 [1,0,0,0,0,0|0,1,2]=4 476 B3R0.1 O=CCI MCULE-1146810366 [1,0,0,0,0,0|0,1,2]=4 477 B3R0.1 OCCBr MCULE-5097256006 [1,0,0,0,0,0|0,0,0]=1 478 B3R0.1 OCCCl MCULE-5139580173 [1,0,0,0,0,0|0,1,0]=2 479 B3R0.1 OCCF MCULE-7590677201 [1,0,0,0,0,0|0,1,0]=2 480 B3R0.1 OCCI MCULE-8359750387 [1,0,0,0,0,0|0,1,0]=2 481 B3R0.1 OCCO MCULE-6366313128 [1,0,0,0,0,0|1,0,0]=2 482 B3R0.1 OCCS MCULE-2252943288 [1,0,0,0,0,0|1,0,0]=2 483 B3R0.1 PCCP MCULE-2159678577 [1,0,0,0,0,0|2,0,0]=3 484 B3R0.1 SCCBr MCULE-5899941299 [1,0,0,0,0,0|0,1,0]=2 485 B3R0.1 SCCS MCULE-8277435664 [1,0,0,0,0,0|1,1,0]=3 486 B3R0.1 [NH3+]CCS MCULE-6407472407 [1,0,0,0,0,0|1,1,0]=3 487 B3R0.1 [NH3+]CC[NH3+] MCULE-5313549416 [1,0,0,0,0,0|2,0,0]=3 488 B3R0.2 BN(C)C MCULE-2470964161 [1,0,0,0,0,0|2,0,0]=3 489 B3R0.2 BrB(Br)Br MCULE-1696698241 [1,0,0,0,0,0|3,0,0]=4 490 B3R0.2 BrC(Br)Br MCULE-3687875829 [1,0,0,0,0,0|2,0,0]=3 491 B3R0.2 BrP(Br)Br MCULE-7259109753 [1,0,0,0,0,0|3,0,0]=4 492 B3R0.2 Br[As](Br)Br MCULE-5748492297 [1,0,0,0,0,0|3,0,0]=4 493 B3R0.2 C=C(C)Br MCULE-7805530064 [1,0,0,0,0,0|1,0,1]=3 494 B3R0.2 C=C(C)C MCULE-5640095130 [1,0,0,0,0,0|1,0,1]=3 495 B3R0.2 C=C(C)Cl MCULE-1752401095 [1,0,0,0,0,0|1,0,2]=4 496 B3R0.2 C=C(C)F MCULE-3213198231 [1,0,0,0,0,0|1,0,2]=4 497 B3R0.2 C=[N+](C)C MCULE-4450980212 [1,0,0,0,0,0|2,0,0]=3 498 B3R0.2 C=[N+](C)C MCULE-5309464837 [1,0,0,0,0,0|2,0,0]=3 499 B3R0.2 C=[N+](C)C MCULE-9321779445 [1,0,0,0,0,0|2,0,0]=3 500 B3R0.2 CB(O)O MCULE-3510763826 [1,0,0,0,0,0|2,0,0]=3 501 B3R0.2 CC(=N)N MCULE-3235425606 [1,0,0,0,0,0|2,0,1]=4 502 B3R0.2 CC(=N)N MCULE-3546679379 [1,0,0,0,0,0|2,0,1]=4 503 B3R0.2 CC(=N)N MCULE-3597638887 [1,0,0,0,0,0|2,0,1]=4 504 B3R0.2 CC(=N)N MCULE-9831274654 [1,0,0,0,0,0|2,0,1]=4 505 B3R0.2 CC(=O)Br MCULE-4892265063 [1,0,0,0,0,0|0,0,2]=3 506 B3R0.2 CC(=O)C MCULE-6679625040 [1,0,0,0,0,0|0,0,2]=3 507 B3R0.2 CC(=O)Cl MCULE-9041746362 [1,0,0,0,0,0|0,1,2]=4 508 B3R0.2 CC(=O)I MCULE-4812718701 [1,0,0,0,0,0|0,1,2]=4 509 B3R0.2 CC(=O)N MCULE-9280264861 [1,0,0,0,0,0|1,0,2]=4 510 B3R0.2 CC(=O)O MCULE-1502330578 [1,0,0,0,0,0|1,0,1]=3 511 B3R0.2 CC(=O)O MCULE-5514028500 [1,0,0,0,0,0|1,0,1]=3 512 B3R0.2 CC(=O)O MCULE-5942589566 [1,0,0,0,0,0|1,0,1]=3 513 B3R0.2 CC(=O)O MCULE-6780070129 [1,0,0,0,0,0|1,0,1]=3 514 B3R0.2 CC(=O)O MCULE-8295936189 [1,0,0,0,0,0|1,0,1]=3 515 B3R0.2 CC(=O)O MCULE-9103972283 [1,0,0,0,0,0|1,0,1]=3 516 B3R0.2 CC(=O)O MCULE-9900518424 [1,0,0,0,0,0|1,0,1]=3 517 B3R0.2 CC(=O)S MCULE-5769447035 [1,0,0,0,0,0|1,0,2]=4 518 B3R0.2 CC(=O)[O-] MCULE-2314460022 [1,0,0,0,0,0|1,0,2]=4 519 B3R0.2 CC(=O)[O-] MCULE-2960771771 [1,0,0,0,0,0|1,0,2]=4 520 B3R0.2 CC(=O)[O-] MCULE-5334052410 [1,0,0,0,0,0|1,0,2]=4 521 B3R0.2 CC(=O)[O-] MCULE-5482908386 [1,0,0,0,0,0|1,0,2]=4 522 B3R0.2 CC(=O)[O-] MCULE-9723570182 [1,0,0,0,0,0|1,0,2]=4 523 B3R0.2 CC(=O)[O-] MCULE-9910426896 [1,0,0,0,0,0|1,0,2]=4 524 B3R0.2 CC(=S)N MCULE-4635097605 [1,0,0,0,0,0|1,1,1]=4 525 B3R0.2 CC(=S)[O-] MCULE-1878530758 [1,0,0,0,0,0|1,0,2]=4 526 B3R0.2 CC(Br)Br MCULE-3156450089 [1,0,0,0,0,0|1,0,0]=2 527 B3R0.2 CC(C)Br MCULE-4068304617 [1,0,0,0,0,0|1,0,0]=2 528 B3R0.2 CC(C)C MCULE-6616676274 [1,0,0,0,0,0|1,0,0]=2 529 B3R0.2 CC(C)Cl MCULE-3190141598 [1,0,0,0,0,0|1,0,0]=2 530 B3R0.2 CC(C)F MCULE-5333357055 [1,0,0,0,0,0|1,0,0]=2 531 B3R0.2 CC(C)I MCULE-6151711033 [1,0,0,0,0,0|1,0,0]=2 532 B3R0.2 CC(C)N MCULE-1048799006 [1,0,0,0,0,0|1,0,0]=2 533 B3R0.2 CC(C)N MCULE-1125416142 [1,0,0,0,0,0|1,0,0]=2 534 B3R0.2 CC(C)N MCULE-2418429353 [1,0,0,0,0,0|1,0,0]=2 535 B3R0.2 CC(C)N MCULE-7280647435 [1,0,0,0,0,0|1,0,0]=2 536 B3R0.2 CC(C)O MCULE-6646752234 [1,0,0,0,0,0|0,0,0]=1 537 B3R0.2 CC(C)S MCULE-8283942088 [1,0,0,0,0,0|0,1,0]=2 538 B3R0.2 CC(Cl)Br MCULE-6166388747 [1,0,0,0,0,0|1,0,0]=2 539 B3R0.2 CC(Cl)Cl MCULE-2444543893 [1,0,0,0,0,0|1,1,0]=3 540 B3R0.2 CC(F)Cl MCULE-1350283946 [1,0,0,0,0,0|1,1,0]=3 541 B3R0.2 CC(F)F MCULE-1642052461 [1,0,0,0,0,0|1,1,0]=3 542 B3R0.2 CN(=O)=O MCULE-8704524604 [1,0,0,0,0,0|2,0,1]=4 543 B3R0.2 CN(C)C MCULE-5179437979 [1,0,0,0,0,0|2,0,0]=3 544 B3R0.2 CN(C)C MCULE-6816696733 [1,0,0,0,0,0|2,0,0]=3 545 B3R0.2 CN(C)C MCULE-7903544426 [1,0,0,0,0,0|2,0,0]=3 546 B3R0.2 CN(C)N MCULE-7177216911 [1,0,0,0,0,0|2,0,0]=3 547 B3R0.2 CN(C)N MCULE-8775366011 [1,0,0,0,0,0|2,0,0]=3 548 B3R0.2 CN(C)O MCULE-6572915706 [1,0,0,0,0,0|1,0,0]=2 549 B3R0.2 CN(C)O MCULE-6950647562 [1,0,0,0,0,0|1,0,0]=2 550 B3R0.2 CP(=O)C MCULE-6150886622 [1,0,0,0,0,0|1,0,1]=3 551 B3R0.2 CP(C)C MCULE-6703190251 [1,0,0,0,0,0|2,0,0]=3 552 B3R0.2 CS(=O)C MCULE-2005841258 [1,0,0,0,0,0|1,0,1]=3 553 B3R0.2 CS(=O)Cl MCULE-1292201352 [1,0,0,0,0,0|1,1,1]=4 554 B3R0.2 CS(=O)N MCULE-5162949591 [1,0,0,0,0,0|2,0,1]=4 555 B3R0.2 CS(=O)O MCULE-8711306710 [1,0,0,0,0,0|2,0,0]=3 556 B3R0.2 CS(=O)[O-] MCULE-1437194827 [1,0,0,0,0,0|2,0,1]=4 557 B3R0.2 C[Ga](C)C MCULE-6013775603 [1,0,0,0,0,0|2,0,0]=3 558 B3R0.2 C[In](C)C MCULE-1424187192 [1,0,0,0,0,0|2,0,0]=3 559 B3R0.2 C[O+](C)C MCULE-2925451414 [1,0,0,0,0,0|2,0,0]=3 560 B3R0.2 C[S+](C)Br MCULE-2734391695 [1,0,0,0,0,0|2,0,0]=3 561 B3R0.2 C[S+](C)Br MCULE-6411921824 [1,0,0,0,0,0|2,0,0]=3 562 B3R0.2 C[S+](C)C MCULE-5867625832 [1,0,0,0,0,0|2,0,0]=3 563 B3R0.2 C[S+](C)C MCULE-7678314643 [1,0,0,0,0,0|2,0,0]=3 564 B3R0.2 C[S+](C)C MCULE-8005905986 [1,0,0,0,0,0|2,0,0]=3 565 B3R0.2 C[Se](=O)C MCULE-4596040471 [1,0,0,0,0,0|1,0,1]=3 566 B3R0.2 C[Se](=O)O MCULE-5568767851 [1,0,0,0,0,0|2,0,0]=3 567 B3R0.2 ClC(Br)Br MCULE-7315486856 [1,0,0,0,0,0|2,0,0]=3 568 B3R0.2 ClC(Cl)Br MCULE-9404631495 [1,0,0,0,0,0|2,0,0]=3 569 B3R0.2 ClC(Cl)Cl MCULE-5607930311 [1,0,0,0,0,0|2,1,0]=4 570 B3R0.2 ClC(Cl)I MCULE-9232888477 [1,0,0,0,0,0|2,1,0]=4 571 B3R0.2 FC(Br)Br MCULE-4574077227 [1,0,0,0,0,0|2,0,0]=3 572 B3R0.2 FC(F)I MCULE-6704020444 [1,0,0,0,0,0|2,1,0]=4 573 B3R0.2 IC(I)I MCULE-5976787287 [1,0,0,0,0,0|2,1,0]=4 574 B3R0.2 NC(=O)O MCULE-1579038047 [1,0,0,0,0,0|2,0,1]=4 575 B3R0.2 NC(=O)O MCULE-3232812015 [1,0,0,0,0,0|2,0,1]=4 576 B3R0.2 O=C(O)O MCULE-3743781291 [1,0,0,0,0,0|2,0,1]=4 577 B3R0.2 O=C(O)O MCULE-6373078171 [1,0,0,0,0,0|2,0,1]=4 578 B3R0.2 O=C([O-])O MCULE-5529655359 [1,0,0,0,0,0|2,0,1]=4 579 B3R0.2 O=C([O-])O MCULE-7293729150 [1,0,0,0,0,0|2,0,1]=4 580 B3R0.2 O=I(=O)O MCULE-6335954469 [1,0,0,0,0,0|3,0,0]=4 581 B3R0.2 O=I(=O)O MCULE-7906123102 [1,0,0,0,0,0|3,0,0]=4 582 B3R0.2 O=N(=O)O MCULE-5926867268 [1,0,0,0,0,0|3,0,0]=4 583 B3R0.2 O=N(=O)O MCULE-8501453871 [1,0,0,0,0,0|3,0,0]=4 584 B3R0.2 O=P(=O)O MCULE-3007887617 [1,0,0,0,0,0|3,0,0]=4 585 B3R0.2 O=P(O)O MCULE-8889145943 [1,0,0,0,0,0|3,0,0]=4 586 B3R0.2 O=P([O-])O MCULE-3773885400 [1,0,0,0,0,0|3,0,0]=4 587 B3R0.2 O=P([O-])O MCULE-6745348516 [1,0,0,0,0,0|3,0,0]=4 588 B3R0.2 O=S(=O)O MCULE-7070708516 [1,0,0,0,0,0|3,0,0]=4 589 B3R0.2 O=S(Br)Br MCULE-8128997630 [1,0,0,0,0,0|2,0,1]=4 590 B3R0.2 O=S(O)O MCULE-3188569799 [1,0,0,0,0,0|3,0,0]=4 591 B3R0.2 O=S(O)O MCULE-7812738469 [1,0,0,0,0,0|3,0,0]=4 592 B3R0.2 O=[Se](O)O MCULE-9081277469 [1,0,0,0,0,0|3,0,0]=4 593 B3R0.2 O=[Si](O)O MCULE-3228936275 [1,0,0,0,0,0|2,1,0]=4 594 B3R0.2 OB(O)O MCULE-2905906674 [1,0,0,0,0,0|3,0,0]=4 595 B3R0.2 OB(O)O MCULE-8095091838 [1,0,0,0,0,0|3,0,0]=4 596 B3R0.2 OP(O)O MCULE-9313199709 [1,0,0,0,0,0|3,0,0]=4 597 B3R0.2 [O-]P([O-])O MCULE-1307635620 [1,0,0,0,0,0|3,0,0]=4 598 B3R0.2 [O-]P([O-])O MCULE-4722745097 [1,0,0,0,0,0|3,0,0]=4 599 B5R0.1 C#CCC(=O)O MCULE-4680699666 [0,1,0,0,0,0|2,0,1]=4 600 B5R0.1 C#CCC(C)C MCULE-2506063278 [0,1,0,0,0,0|2,0,0]=3 601 B5R0.1 C#CCC(C)N MCULE-1523044787 [0,1,0,0,0,0|2,0,0]=3 602 B5R0.1 C#CCC(C)N MCULE-3399522488 [0,1,0,0,0,0|2,0,0]=3 603 B5R0.1 C#CCC(C)O MCULE-2487589857 [0,1,0,0,0,0|1,0,0]=2 604 B5R0.1 C#CCN(C)C MCULE-1589925874 [0,1,0,0,0,0|3,0,0]=4 605 B5R0.1 C(C)(N)CCC MCULE-4800297905 [0,1,0,0,0,0|2,0,0]=3 606 B5R0.1 C(C)(N)CCC MCULE-7674864567 [0,1,0,0,0,0|2,0,0]=3 607 B5R0.1 C(C)(N)CCO MCULE-5545469271 [0,1,0,0,0,0|2,0,0]=3 608 B5R0.1 C/C(=C/CI)/I MCULE-4907089043 [0,1,0,0,0,0|1,1,1]=4 609 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [0,1,0,0,0,0|2,0,1]=4 610 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [0,1,0,0,0,0|2,0,1]=4 611 B5R0.1 C/C(=C\CCl)/Cl MCULE-6679259233 [0,1,0,0,0,0|1,1,1]=4 612 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [0,1,0,0,0,0|2,0,1]=4 613 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [0,1,0,0,0,0|1,0,1]=3 614 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [0,1,0,0,0,0|1,0,2]=4 615 B5R0.1 C=C(C)CCBr MCULE-3439794005 [0,1,0,0,0,0|1,0,1]=3 616 B5R0.1 C=C(C)CCC MCULE-8225129744 [0,1,0,0,0,0|2,0,1]=4 617 B5R0.1 C=C(C)CCCl MCULE-2816016781 [0,1,0,0,0,0|1,1,1]=4 618 B5R0.1 C=C(C)CCI MCULE-6317205481 [0,1,0,0,0,0|1,1,1]=4 619 B5R0.1 C=C(C)CCN MCULE-4037025602 [0,1,0,0,0,0|2,0,1]=4 620 B5R0.1 C=C(C)CCN MCULE-5001503744 [0,1,0,0,0,0|2,0,1]=4 621 B5R0.1 C=C(C)CCO MCULE-2689800711 [0,1,0,0,0,0|2,0,1]=4 622 B5R0.1 C=C(C)CNC MCULE-6783886553 [0,1,0,0,0,0|2,0,1]=4 623 B5R0.1 C=C(C)CNC MCULE-8292313282 [0,1,0,0,0,0|2,0,1]=4 624 B5R0.1 C=C(C)CNN MCULE-1117931770 [0,1,0,0,0,0|2,0,1]=4 625 B5R0.1 C=C(C)CON MCULE-2773974323 [0,1,0,0,0,0|2,0,1]=4 626 B5R0.1 C=C(C)CON MCULE-5978680243 [0,1,0,0,0,0|2,0,1]=4 627 B5R0.1 C=C(C)OCC MCULE-5303468686 [0,1,0,0,0,0|2,0,1]=4 628 B5R0.1 C=CCB(O)O MCULE-2306600658 [0,1,0,0,0,0|3,0,0]=4 629 B5R0.1 C=CCC(=C)C MCULE-6294070836 [0,1,0,0,0,0|2,0,1]=4 630 B5R0.1 C=CCC(=O)O MCULE-6288979337 [0,1,0,0,0,0|2,0,1]=4 631 B5R0.1 C=CCC(C)Br MCULE-5638987302 [0,1,0,0,0,0|2,0,0]=3 632 B5R0.1 C=CCC(C)C MCULE-4586731422 [0,1,0,0,0,0|2,0,0]=3 633 B5R0.1 C=CCC(C)N MCULE-5354228552 [0,1,0,0,0,0|2,0,0]=3 634 B5R0.1 C=CCC(C)N MCULE-9454660067 [0,1,0,0,0,0|2,0,0]=3 635 B5R0.1 C=CCC(C)O MCULE-7724200334 [0,1,0,0,0,0|1,0,0]=2 636 B5R0.1 C=CCC(C)O MCULE-9910771503 [0,1,0,0,0,0|1,0,0]=2 637 B5R0.1 C=CCN(C)C MCULE-6958853335 [0,1,0,0,0,0|3,0,0]=4 638 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [0,1,0,0,0,0|1,0,0]=2 639 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [0,1,0,0,0,0|1,0,0]=2 640 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [0,1,0,0,0,0|2,0,0]=3 641 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [0,1,0,0,0,0|2,0,0]=3 642 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [0,1,0,0,0,0|1,0,0]=2 643 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [0,1,0,0,0,0|1,0,0]=2 644 B5R0.1 C=COC(C)C MCULE-6339383821 [0,1,0,0,0,0|2,0,1]=4 645 B5R0.1 CC#CC(C)C MCULE-9841369985 [0,1,0,0,0,0|2,0,1]=4 646 B5R0.1 CC#CC(C)O MCULE-5523814936 [0,1,0,0,0,0|1,0,1]=3 647 B5R0.1 CC(=CCBr)C MCULE-7961276795 [0,1,0,0,0,0|1,0,1]=3 648 B5R0.1 CC(=CCCl)C MCULE-1110417103 [0,1,0,0,0,0|1,1,1]=4 649 B5R0.1 CC(=CCCl)Cl MCULE-9735045489 [0,1,0,0,0,0|1,1,1]=4 650 B5R0.1 CC(=CCI)I MCULE-4204968539 [0,1,0,0,0,0|1,1,1]=4 651 B5R0.1 CC(=CCN)C MCULE-7220252581 [0,1,0,0,0,0|2,0,1]=4 652 B5R0.1 CC(=CCN)C MCULE-8394581250 [0,1,0,0,0,0|2,0,1]=4 653 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [0,1,0,0,0,0|2,0,1]=4 654 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [0,1,0,0,0,0|2,0,1]=4 655 B5R0.1 CC(=CCO)C MCULE-3984123588 [0,1,0,0,0,0|2,0,1]=4 656 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [0,1,0,0,0,0|2,0,1]=4 657 B5R0.1 CC(=CCO)I MCULE-4600854759 [0,1,0,0,0,0|2,0,1]=4 658 B5R0.1 CC(=CCS)C MCULE-4180446913 [0,1,0,0,0,0|2,0,1]=4 659 B5R0.1 CC(=O)CC#N MCULE-7203242552 [0,1,0,0,0,0|1,0,2]=4 660 B5R0.1 CC(=O)CCBr MCULE-2615300206 [0,1,0,0,0,0|0,0,2]=3 661 B5R0.1 CC(=O)CCCl MCULE-8019748964 [0,1,0,0,0,0|0,1,2]=4 662 B5R0.1 CC(=O)CCN MCULE-7550348751 [0,1,0,0,0,0|1,0,2]=4 663 B5R0.1 CC(=O)CCN MCULE-9519063810 [0,1,0,0,0,0|1,0,2]=4 664 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,1,0,0,0,0|1,0,2]=4 665 B5R0.1 CC(=O)NCO MCULE-4563335540 [0,1,0,0,0,0|1,0,2]=4 666 B5R0.1 CC(=O)OCBr MCULE-9842804945 [0,1,0,0,0,0|0,0,2]=3 667 B5R0.1 CC(=O)OCCl MCULE-6822222026 [0,1,0,0,0,0|0,1,2]=4 668 B5R0.1 CC(=O)SCBr MCULE-9794607323 [0,1,0,0,0,0|0,0,2]=3 669 B5R0.1 CC(Br)CC#N MCULE-6321379216 [0,1,0,0,0,0|2,0,0]=3 670 B5R0.1 CC(Br)CCBr MCULE-1045475402 [0,1,0,0,0,0|1,0,0]=2 671 B5R0.1 CC(C)/C=N/O MCULE-3201457095 [0,1,0,0,0,0|2,0,1]=4 672 B5R0.1 CC(C)C=NO MCULE-9842574696 [0,1,0,0,0,0|2,0,1]=4 673 B5R0.1 CC(C)CC#N MCULE-4346986727 [0,1,0,0,0,0|2,0,0]=3 674 B5R0.1 CC(C)CC=O MCULE-2939497534 [0,1,0,0,0,0|2,0,0]=3 675 B5R0.1 CC(C)CCBr MCULE-7163010428 [0,1,0,0,0,0|1,0,0]=2 676 B5R0.1 CC(C)CCCl MCULE-8360122696 [0,1,0,0,0,0|1,1,0]=3 677 B5R0.1 CC(C)CCCl MCULE-9017922949 [0,1,0,0,0,0|1,1,0]=3 678 B5R0.1 CC(C)CCI MCULE-4934529500 [0,1,0,0,0,0|1,1,0]=3 679 B5R0.1 CC(C)CCN MCULE-3081003576 [0,1,0,0,0,0|2,0,0]=3 680 B5R0.1 CC(C)CCN MCULE-5118782389 [0,1,0,0,0,0|2,0,0]=3 681 B5R0.1 CC(C)CCN MCULE-5217981670 [0,1,0,0,0,0|2,0,0]=3 682 B5R0.1 CC(C)CCN MCULE-6280940933 [0,1,0,0,0,0|2,0,0]=3 683 B5R0.1 CC(C)CCO MCULE-7411270401 [0,1,0,0,0,0|2,0,0]=3 684 B5R0.1 CC(C)CCS MCULE-7115473363 [0,1,0,0,0,0|2,0,0]=3 685 B5R0.1 CC(C)CNN MCULE-6797887001 [0,1,0,0,0,0|2,0,0]=3 686 B5R0.1 CC(C)CNN MCULE-9592971233 [0,1,0,0,0,0|2,0,0]=3 687 B5R0.1 CC(C)CNN MCULE-9725792452 [0,1,0,0,0,0|2,0,0]=3 688 B5R0.1 CC(C)CON MCULE-3476786246 [0,1,0,0,0,0|2,0,0]=3 689 B5R0.1 CC(C)CON MCULE-4450654727 [0,1,0,0,0,0|2,0,0]=3 690 B5R0.1 CC(C)N=C=O MCULE-8392299675 [0,1,0,0,0,0|2,0,1]=4 691 B5R0.1 CC(C)N=C=S MCULE-7689456429 [0,1,0,0,0,0|2,0,1]=4 692 B5R0.1 CC(C)N=N#N MCULE-4920057169 [0,1,0,0,0,0|3,0,0]=4 693 B5R0.1 CC(C)NC=O MCULE-1764010394 [0,1,0,0,0,0|2,0,1]=4 694 B5R0.1 CC(C)OC=O MCULE-8263698122 [0,1,0,0,0,0|2,0,1]=4 695 B5R0.1 CC(C)OCCl MCULE-3680602217 [0,1,0,0,0,0|1,1,0]=3 696 B5R0.1 CC(C)SC#N MCULE-2480992384 [0,1,0,0,0,0|2,0,1]=4 697 B5R0.1 CC(C)SCCl MCULE-3836735379 [0,1,0,0,0,0|1,1,0]=3 698 B5R0.1 CC(Cl)CCCl MCULE-3656498608 [0,1,0,0,0,0|1,1,0]=3 699 B5R0.1 CC(Cl)CCO MCULE-1955496242 [0,1,0,0,0,0|2,0,0]=3 700 B5R0.1 CC(F)CCBr MCULE-3035340901 [0,1,0,0,0,0|1,0,0]=2 701 B5R0.1 CC(F)CCI MCULE-6469250150 [0,1,0,0,0,0|1,1,0]=3 702 B5R0.1 CC(F)CCN MCULE-2805813131 [0,1,0,0,0,0|2,0,0]=3 703 B5R0.1 CC(F)CCN MCULE-5849913362 [0,1,0,0,0,0|2,0,0]=3 704 B5R0.1 CC(N)CC#N MCULE-2350352782 [0,1,0,0,0,0|2,0,0]=3 705 B5R0.1 CC(N)CC#N MCULE-7269201059 [0,1,0,0,0,0|2,0,0]=3 706 B5R0.1 CC(N)CCN MCULE-5308134596 [0,1,0,0,0,0|2,0,0]=3 707 B5R0.1 CC(N)CCN MCULE-5880045507 [0,1,0,0,0,0|2,0,0]=3 708 B5R0.1 CC(N)CCN MCULE-7827515430 [0,1,0,0,0,0|2,0,0]=3 709 B5R0.1 CC(N)CCO MCULE-1771399942 [0,1,0,0,0,0|2,0,0]=3 710 B5R0.1 CC(N)CCO MCULE-7239872808 [0,1,0,0,0,0|2,0,0]=3 711 B5R0.1 CC(O)CC#N MCULE-7172428142 [0,1,0,0,0,0|1,0,0]=2 712 B5R0.1 CC(O)CCBr MCULE-7983169885 [0,1,0,0,0,0|0,0,0]=1 713 B5R0.1 CC(O)CCCl MCULE-2952545606 [0,1,0,0,0,0|0,1,0]=2 714 B5R0.1 CC(O)CCN MCULE-6836791276 [0,1,0,0,0,0|1,0,0]=2 715 B5R0.1 CC(O)CCN MCULE-7186260925 [0,1,0,0,0,0|1,0,0]=2 716 B5R0.1 CC(O)CCO MCULE-1694239851 [0,1,0,0,0,0|1,0,0]=2 717 B5R0.1 CC(O)CCO MCULE-7784884948 [0,1,0,0,0,0|1,0,0]=2 718 B5R0.1 CC(O)CNN MCULE-4956670781 [0,1,0,0,0,0|1,0,0]=2 719 B5R0.1 CC(O)CNN MCULE-7917439573 [0,1,0,0,0,0|1,0,0]=2 720 B5R0.1 CC(O)CON MCULE-1051091134 [0,1,0,0,0,0|1,0,0]=2 721 B5R0.1 CC(O)CON MCULE-6722092589 [0,1,0,0,0,0|1,0,0]=2 722 B5R0.1 CC(S)CCO MCULE-5702212503 [0,1,0,0,0,0|1,1,0]=3 723 B5R0.1 CC=CC(C)C MCULE-9898453837 [0,1,0,0,0,0|2,0,1]=4 724 B5R0.1 CC=CC(C)O MCULE-4806592836 [0,1,0,0,0,0|1,0,1]=3 725 B5R0.1 CCC=C(C)C MCULE-2405063894 [0,1,0,0,0,0|2,0,1]=4 726 B5R0.1 CCCB(O)O MCULE-4994980798 [0,1,0,0,0,0|3,0,0]=4 727 B5R0.1 CCCC(=O)C MCULE-7174095676 [0,1,0,0,0,0|1,0,2]=4 728 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,1,0,0,0,0|2,0,1]=4 729 B5R0.1 CCCC(=S)O MCULE-3382199964 [0,1,0,0,0,0|2,0,1]=4 730 B5R0.1 CCCC(C)Br MCULE-3178073667 [0,1,0,0,0,0|2,0,0]=3 731 B5R0.1 CCCC(C)C MCULE-9604552974 [0,1,0,0,0,0|2,0,0]=3 732 B5R0.1 CCCC(C)N MCULE-2640298430 [0,1,0,0,0,0|2,0,0]=3 733 B5R0.1 CCCC(C)N MCULE-7225905167 [0,1,0,0,0,0|2,0,0]=3 734 B5R0.1 CCCC(C)O MCULE-8205906299 [0,1,0,0,0,0|1,0,0]=2 735 B5R0.1 CCCC(C)S MCULE-1649095713 [0,1,0,0,0,0|1,1,0]=3 736 B5R0.1 CCCC(O)Cl MCULE-3188577082 [0,1,0,0,0,0|2,0,0]=3 737 B5R0.1 CCCN(C)C MCULE-8702643596 [0,1,0,0,0,0|3,0,0]=4 738 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [0,1,0,0,0,0|2,0,0]=3 739 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [0,1,0,0,0,0|2,0,0]=3 740 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [0,1,0,0,0,0|2,0,0]=3 741 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [0,1,0,0,0,0|2,0,0]=3 742 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [0,1,0,0,0,0|1,0,0]=2 743 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [0,1,0,0,0,0|2,0,0]=3 744 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [0,1,0,0,0,0|2,0,0]=3 745 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [0,1,0,0,0,0|2,0,0]=3 746 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [0,1,0,0,0,0|2,0,0]=3 747 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [0,1,0,0,0,0|1,0,0]=2 748 B5R0.1 CCNC(=O)C MCULE-7543656350 [0,1,0,0,0,0|1,0,2]=4 749 B5R0.1 CCNC(C)C MCULE-8064118469 [0,1,0,0,0,0|2,0,0]=3 750 B5R0.1 CCOC(=N)C MCULE-3060267072 [0,1,0,0,0,0|2,0,1]=4 751 B5R0.1 CCOC(=N)C MCULE-3943786182 [0,1,0,0,0,0|2,0,1]=4 752 B5R0.1 CCOC(=O)C MCULE-6628539781 [0,1,0,0,0,0|1,0,2]=4 753 B5R0.1 CCOC(=S)C MCULE-3358897597 [0,1,0,0,0,0|1,1,1]=4 754 B5R0.1 CCOC(C)C MCULE-1934548340 [0,1,0,0,0,0|2,0,0]=3 755 B5R0.1 CCOC(C)Cl MCULE-8486994638 [0,1,0,0,0,0|2,0,0]=3 756 B5R0.1 CCSC(=O)C MCULE-8015440229 [0,1,0,0,0,0|1,0,2]=4 757 B5R0.1 CCSC(=S)C MCULE-1502137460 [0,1,0,0,0,0|1,1,1]=4 758 B5R0.1 CCSC(C)C MCULE-3738251898 [0,1,0,0,0,0|2,0,0]=3 759 B5R0.1 CN(C)CC#N MCULE-7617361185 [0,1,0,0,0,0|3,0,0]=4 760 B5R0.1 CN(C)CC=O MCULE-1229218563 [0,1,0,0,0,0|3,0,0]=4 761 B5R0.1 CN(C)CC=O MCULE-3577561950 [0,1,0,0,0,0|3,0,0]=4 762 B5R0.1 CN(C)CC=O MCULE-4493766862 [0,1,0,0,0,0|3,0,0]=4 763 B5R0.1 CN(C)CC=O MCULE-8123455398 [0,1,0,0,0,0|3,0,0]=4 764 B5R0.1 CN(C)CCBr MCULE-4844398053 [0,1,0,0,0,0|2,0,0]=3 765 B5R0.1 CN(C)CCCl MCULE-4297554717 [0,1,0,0,0,0|2,1,0]=4 766 B5R0.1 CN(C)CCCl MCULE-4465544992 [0,1,0,0,0,0|2,1,0]=4 767 B5R0.1 CN(C)CCI MCULE-4687894526 [0,1,0,0,0,0|2,1,0]=4 768 B5R0.1 CN(C)CCI MCULE-7464680246 [0,1,0,0,0,0|2,1,0]=4 769 B5R0.1 CN(C)CCI MCULE-9051868668 [0,1,0,0,0,0|2,1,0]=4 770 B5R0.1 CN(C)CCN MCULE-6693759372 [0,1,0,0,0,0|3,0,0]=4 771 B5R0.1 CN(C)CCN MCULE-6929925748 [0,1,0,0,0,0|3,0,0]=4 772 B5R0.1 CN(C)CCN MCULE-7881547574 [0,1,0,0,0,0|3,0,0]=4 773 B5R0.1 CN(C)CCO MCULE-5715813465 [0,1,0,0,0,0|3,0,0]=4 774 B5R0.1 CN(C)CCO MCULE-7567469160 [0,1,0,0,0,0|3,0,0]=4 775 B5R0.1 CN(C)CCO MCULE-9024108074 [0,1,0,0,0,0|3,0,0]=4 776 B5R0.1 CN(C)CCS MCULE-4356815596 [0,1,0,0,0,0|3,0,0]=4 777 B5R0.1 CN(C)CCS MCULE-4611688723 [0,1,0,0,0,0|3,0,0]=4 778 B5R0.1 CN(C)CCS MCULE-6259585517 [0,1,0,0,0,0|3,0,0]=4 779 B5R0.1 CN(N)CCN MCULE-2782966878 [0,1,0,0,0,0|3,0,0]=4 780 B5R0.1 CNCC(=O)C MCULE-3695443024 [0,1,0,0,0,0|1,0,2]=4 781 B5R0.1 CNCC(=O)C MCULE-7402723072 [0,1,0,0,0,0|1,0,2]=4 782 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,1,0,0,0,0|2,0,1]=4 783 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,1,0,0,0,0|2,0,1]=4 784 B5R0.1 CNCC(C)C MCULE-6582386339 [0,1,0,0,0,0|2,0,0]=3 785 B5R0.1 CNCC(C)C MCULE-6856717783 [0,1,0,0,0,0|2,0,0]=3 786 B5R0.1 CNCC(C)F MCULE-4381138647 [0,1,0,0,0,0|2,0,0]=3 787 B5R0.1 CNCC(C)F MCULE-9018181183 [0,1,0,0,0,0|2,0,0]=3 788 B5R0.1 CNCC(C)O MCULE-3671071529 [0,1,0,0,0,0|1,0,0]=2 789 B5R0.1 CNCC(C)O MCULE-4171705304 [0,1,0,0,0,0|1,0,0]=2 790 B5R0.1 CNCC(Cl)Cl MCULE-1176483469 [0,1,0,0,0,0|3,0,0]=4 791 B5R0.1 CNCC(Cl)Cl MCULE-8474434261 [0,1,0,0,0,0|3,0,0]=4 792 B5R0.1 CNCC(F)F MCULE-3004221847 [0,1,0,0,0,0|3,0,0]=4 793 B5R0.1 CNCC(F)F MCULE-5997956111 [0,1,0,0,0,0|3,0,0]=4 794 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [0,1,0,0,0,0|1,0,0]=2 795 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [0,1,0,0,0,0|1,0,0]=2 796 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [0,1,0,0,0,0|1,0,0]=2 797 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [0,1,0,0,0,0|1,0,0]=2 798 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [0,1,0,0,0,0|1,0,0]=2 799 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [0,1,0,0,0,0|1,0,0]=2 800 B5R0.1 COCC(=O)C MCULE-7262197587 [0,1,0,0,0,0|1,0,2]=4 801 B5R0.1 COCC(=O)O MCULE-3945589151 [0,1,0,0,0,0|2,0,1]=4 802 B5R0.1 COCC(C)Br MCULE-6850689931 [0,1,0,0,0,0|2,0,0]=3 803 B5R0.1 COCC(C)I MCULE-8608265714 [0,1,0,0,0,0|2,0,0]=3 804 B5R0.1 COCC(C)N MCULE-1896873634 [0,1,0,0,0,0|2,0,0]=3 805 B5R0.1 COCC(C)N MCULE-2549420211 [0,1,0,0,0,0|2,0,0]=3 806 B5R0.1 COCC(C)N MCULE-3490410444 [0,1,0,0,0,0|2,0,0]=3 807 B5R0.1 COCC(C)N MCULE-7089888882 [0,1,0,0,0,0|2,0,0]=3 808 B5R0.1 COCC(C)O MCULE-4022733014 [0,1,0,0,0,0|1,0,0]=2 809 B5R0.1 COCC(C)O MCULE-7513310960 [0,1,0,0,0,0|1,0,0]=2 810 B5R0.1 COCN(C)C MCULE-1963225930 [0,1,0,0,0,0|3,0,0]=4 811 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [0,1,0,0,0,0|2,0,0]=3 812 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [0,1,0,0,0,0|2,0,0]=3 813 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [0,1,0,0,0,0|2,0,0]=3 814 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [0,1,0,0,0,0|2,0,0]=3 815 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [0,1,0,0,0,0|1,0,0]=2 816 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [0,1,0,0,0,0|1,0,0]=2 817 B5R0.1 COC[C@H](C)N MCULE-2465679418 [0,1,0,0,0,0|2,0,0]=3 818 B5R0.1 COC[C@H](C)N MCULE-2998593539 [0,1,0,0,0,0|2,0,0]=3 819 B5R0.1 COC[C@H](C)N MCULE-3161045661 [0,1,0,0,0,0|2,0,0]=3 820 B5R0.1 COC[C@H](C)N MCULE-9550165578 [0,1,0,0,0,0|2,0,0]=3 821 B5R0.1 COC[C@H](C)O MCULE-5908531683 [0,1,0,0,0,0|1,0,0]=2 822 B5R0.1 COC[C@H](C)O MCULE-8619138238 [0,1,0,0,0,0|1,0,0]=2 823 B5R0.1 CS(=O)CC#N MCULE-1246621507 [0,1,0,0,0,0|2,0,1]=4 824 B5R0.1 CS(=O)CCBr MCULE-7846126230 [0,1,0,0,0,0|1,0,1]=3 825 B5R0.1 CS(=O)CCCl MCULE-7012781505 [0,1,0,0,0,0|1,1,1]=4 826 B5R0.1 CS(=O)CCN MCULE-6497874560 [0,1,0,0,0,0|2,0,1]=4 827 B5R0.1 CS(=O)CCN MCULE-8275663766 [0,1,0,0,0,0|2,0,1]=4 828 B5R0.1 CS(=O)CCN MCULE-8330490290 [0,1,0,0,0,0|2,0,1]=4 829 B5R0.1 CS(=O)CCO MCULE-8331553582 [0,1,0,0,0,0|2,0,1]=4 830 B5R0.1 CSCC(=O)C MCULE-4131794172 [0,1,0,0,0,0|1,0,2]=4 831 B5R0.1 CSCC(=O)O MCULE-7003418159 [0,1,0,0,0,0|2,0,1]=4 832 B5R0.1 CSCC(C)N MCULE-7985946030 [0,1,0,0,0,0|2,0,0]=3 833 B5R0.1 CSCC(C)O MCULE-2227652351 [0,1,0,0,0,0|1,0,0]=2 834 B5R0.1 CSCN(C)C MCULE-2931143051 [0,1,0,0,0,0|3,0,0]=4 835 B5R0.1 CSCS(=O)C MCULE-3167702486 [0,1,0,0,0,0|2,0,1]=4 836 B5R0.1 C[C@@H](N)CC#N MCULE-1923686728 [0,1,0,0,0,0|2,0,0]=3 837 B5R0.1 C[C@@H](N)CC#N MCULE-5694530830 [0,1,0,0,0,0|2,0,0]=3 838 B5R0.1 C[C@@H](N)CC#N MCULE-8880445785 [0,1,0,0,0,0|2,0,0]=3 839 B5R0.1 C[C@@H](N)CC#N MCULE-9410509782 [0,1,0,0,0,0|2,0,0]=3 840 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [0,1,0,0,0,0|2,0,0]=3 841 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [0,1,0,0,0,0|2,0,0]=3 842 B5R0.1 C[C@@H](O)CC#N MCULE-2879004464 [0,1,0,0,0,0|1,0,0]=2 843 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [0,1,0,0,0,0|1,0,0]=2 844 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [0,1,0,0,0,0|1,0,0]=2 845 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [0,1,0,0,0,0|1,0,0]=2 846 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [0,1,0,0,0,0|1,0,0]=2 847 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [0,1,0,0,0,0|1,0,0]=2 848 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [0,1,0,0,0,0|1,0,0]=2 849 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [0,1,0,0,0,0|1,0,0]=2 850 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [0,1,0,0,0,0|1,0,0]=2 851 B5R0.1 C[C@H](N)CC#N MCULE-1876010727 [0,1,0,0,0,0|2,0,0]=3 852 B5R0.1 C[C@H](N)CC#N MCULE-6927344020 [0,1,0,0,0,0|2,0,0]=3 853 B5R0.1 C[C@H](N)CC#N MCULE-9082410813 [0,1,0,0,0,0|2,0,0]=3 854 B5R0.1 C[C@H](N)CC#N MCULE-9498047771 [0,1,0,0,0,0|2,0,0]=3 855 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [0,1,0,0,0,0|2,0,0]=3 856 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [0,1,0,0,0,0|2,0,0]=3 857 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [0,1,0,0,0,0|2,0,0]=3 858 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [0,1,0,0,0,0|2,0,0]=3 859 B5R0.1 C[C@H](O)CC#N MCULE-1968982761 [0,1,0,0,0,0|1,0,0]=2 860 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [0,1,0,0,0,0|1,0,0]=2 861 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [0,1,0,0,0,0|1,0,0]=2 862 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [0,1,0,0,0,0|1,0,0]=2 863 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [0,1,0,0,0,0|1,0,0]=2 864 B5R0.1 C[C@H](O)CON MCULE-4216605221 [0,1,0,0,0,0|1,0,0]=2 865 B5R0.1 C[C@H](O)CON MCULE-9863094719 [0,1,0,0,0,0|1,0,0]=2 866 B5R0.1 C[NH+](C)CCBr MCULE-4990293495 [0,1,0,0,0,0|2,0,0]=3 867 B5R0.1 C[S+](C)CCCl MCULE-1305595131 [0,1,0,0,0,0|2,1,0]=4 868 B5R0.1 C[S+](C)CCCl MCULE-9761617787 [0,1,0,0,0,0|2,1,0]=4 869 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [0,1,0,0,0,0|2,0,1]=4 870 B5R0.1 ClC(=CCBr)Cl MCULE-5947456231 [0,1,0,0,0,0|2,0,1]=4 871 B5R0.1 FC(=CCBr)F MCULE-1770710917 [0,1,0,0,0,0|2,0,1]=4 872 B5R0.1 N#CCC(=O)O MCULE-3440765061 [0,1,0,0,0,0|2,0,1]=4 873 B5R0.1 NC(=O)CCBr MCULE-3930714776 [0,1,0,0,0,0|1,0,2]=4 874 B5R0.1 NCCC(=O)O MCULE-1344289084 [0,1,0,0,0,0|2,0,1]=4 875 B5R0.1 NCCC(=O)O MCULE-2298605337 [0,1,0,0,0,0|2,0,1]=4 876 B5R0.1 NCCC(=O)O MCULE-9375577631 [0,1,0,0,0,0|2,0,1]=4 877 B5R0.1 NCCC(F)F MCULE-3610134573 [0,1,0,0,0,0|3,0,0]=4 878 B5R0.1 NCCC(F)F MCULE-5561095460 [0,1,0,0,0,0|3,0,0]=4 879 B5R0.1 NCCP(=O)O MCULE-7093964616 [0,1,0,0,0,0|3,0,0]=4 880 B5R0.1 NCCS(=O)O MCULE-4372248641 [0,1,0,0,0,0|3,0,0]=4 881 B5R0.1 NNCC(=O)O MCULE-4908184724 [0,1,0,0,0,0|2,0,1]=4 882 B5R0.1 NNCC(=O)O MCULE-6315598774 [0,1,0,0,0,0|2,0,1]=4 883 B5R0.1 NNCC(F)F MCULE-4290590143 [0,1,0,0,0,0|3,0,0]=4 884 B5R0.1 NNCC(F)F MCULE-8397473173 [0,1,0,0,0,0|3,0,0]=4 885 B5R0.1 NOCC(=O)O MCULE-4566186819 [0,1,0,0,0,0|2,0,1]=4 886 B5R0.1 NOCC(=O)O MCULE-4824237418 [0,1,0,0,0,0|2,0,1]=4 887 B5R0.1 NOCC(=O)O MCULE-8132180423 [0,1,0,0,0,0|2,0,1]=4 888 B5R0.1 NOCC(F)F MCULE-1860693804 [0,1,0,0,0,0|3,0,0]=4 889 B5R0.1 NOCC(F)F MCULE-2698080780 [0,1,0,0,0,0|3,0,0]=4 890 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [0,1,0,0,0,0|1,0,2]=4 891 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [0,1,0,0,0,0|1,0,2]=4 892 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [0,1,0,0,0,0|1,0,2]=4 893 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [0,1,0,0,0,0|1,0,2]=4 894 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [0,1,0,0,0,0|1,0,2]=4 895 B5R0.1 O=C(O)CCBr MCULE-2816055853 [0,1,0,0,0,0|1,0,1]=3 896 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,1,0,0,0,0|1,1,1]=4 897 B5R0.1 O=C(O)CCF MCULE-4382025684 [0,1,0,0,0,0|1,1,1]=4 898 B5R0.1 O=C(O)CCI MCULE-3371354708 [0,1,0,0,0,0|1,1,1]=4 899 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,1,0,0,0,0|2,0,1]=4 900 B5R0.1 O=C(O)CCS MCULE-3211932163 [0,1,0,0,0,0|2,0,1]=4 901 B5R0.1 O=C(O)CNO MCULE-4437067339 [0,1,0,0,0,0|2,0,1]=4 902 B5R0.1 OCCC(F)F MCULE-9207688926 [0,1,0,0,0,0|3,0,0]=4 903 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [0,1,0,0,0,0|1,0,0]=2 904 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [0,1,0,0,0,0|1,0,0]=2 905 B5R0.1 [C@H](C)(O)CC#N MCULE-6894178072 [0,1,0,0,0,0|1,0,0]=2 906 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [0,1,0,0,0,0|1,0,0]=2 907 B5R0.3 BrCC(Br)CBr MCULE-7323713039 [0,1,0,0,0,0|1,0,0]=2 908 B5R0.3 C#CC(C)NC MCULE-6738130869 [0,1,0,0,0,0|2,0,1]=4 909 B5R0.3 C#CC(C)OC MCULE-3702592933 [0,1,0,0,0,0|1,0,1]=3 910 B5R0.3 C#CC(C)OC MCULE-3806443816 [0,1,0,0,0,0|1,0,1]=3 911 B5R0.3 C#CC(N)CC MCULE-2327605941 [0,1,0,0,0,0|2,0,1]=4 912 B5R0.3 C#CC(N)CC MCULE-3572771620 [0,1,0,0,0,0|2,0,1]=4 913 B5R0.3 C#CC(N)CO MCULE-2442851523 [0,1,0,0,0,0|2,0,1]=4 914 B5R0.3 C#CC(N)CO MCULE-3866086926 [0,1,0,0,0,0|2,0,1]=4 915 B5R0.3 C#CC(O)C#C MCULE-7108307235 [0,1,0,0,0,0|1,0,2]=4 916 B5R0.3 C#CC(O)C=C MCULE-5849420618 [0,1,0,0,0,0|1,0,2]=4 917 B5R0.3 C#CC(O)CC MCULE-9890863731 [0,1,0,0,0,0|1,0,1]=3 918 B5R0.3 C#C[C@H](C)OC MCULE-9002531152 [0,1,0,0,0,0|1,0,1]=3 919 B5R0.3 C#C[C@H](N)CO MCULE-2312982984 [0,1,0,0,0,0|2,0,1]=4 920 B5R0.3 C#C[C@H](N)CO MCULE-8124038281 [0,1,0,0,0,0|2,0,1]=4 921 B5R0.3 C#C[C@H](N)CO MCULE-8753140181 [0,1,0,0,0,0|2,0,1]=4 922 B5R0.3 C#C[C@H](N)CO MCULE-9874393436 [0,1,0,0,0,0|2,0,1]=4 923 B5R0.3 C/C(=C\Br)/C#N MCULE-5132213304 [0,1,0,0,0,0|1,0,2]=4 924 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [0,1,0,0,0,0|2,0,1]=4 925 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [0,1,0,0,0,0|2,0,1]=4 926 B5R0.3 C=C(C#N)CBr MCULE-5784758688 [0,1,0,0,0,0|1,0,2]=4 927 B5R0.3 C=C(CBr)CBr MCULE-2855078657 [0,1,0,0,0,0|1,0,1]=3 928 B5R0.3 C=C(CC)CBr MCULE-1652422688 [0,1,0,0,0,0|1,0,1]=3 929 B5R0.3 C=C(CC)CC MCULE-9174509622 [0,1,0,0,0,0|2,0,1]=4 930 B5R0.3 C=C(CC)CN MCULE-2269385026 [0,1,0,0,0,0|2,0,1]=4 931 B5R0.3 C=C(CC)CN MCULE-3033447984 [0,1,0,0,0,0|2,0,1]=4 932 B5R0.3 C=C(CC)CO MCULE-8127766352 [0,1,0,0,0,0|1,0,2]=4 933 B5R0.3 C=C(CCl)CCl MCULE-2574913289 [0,1,0,0,0,0|1,1,1]=4 934 B5R0.3 C=C(CI)CI MCULE-7592017619 [0,1,0,0,0,0|1,1,1]=4 935 B5R0.3 C=C(CN)CN MCULE-5063132725 [0,1,0,0,0,0|2,0,1]=4 936 B5R0.3 C=C(CO)CBr MCULE-9563589949 [0,1,0,0,0,0|0,0,2]=3 937 B5R0.3 C=C(CO)CO MCULE-2682601949 [0,1,0,0,0,0|1,0,2]=4 938 B5R0.3 C=CC(C)C#N MCULE-7507500865 [0,1,0,0,0,0|2,0,1]=4 939 B5R0.3 C=CC(C)CC MCULE-8112547661 [0,1,0,0,0,0|2,0,0]=3 940 B5R0.3 C=CC(C)NC MCULE-1929679074 [0,1,0,0,0,0|2,0,1]=4 941 B5R0.3 C=CC(C)NC MCULE-6382339452 [0,1,0,0,0,0|2,0,1]=4 942 B5R0.3 C=CC(C)ON MCULE-2385478473 [0,1,0,0,0,0|1,0,1]=3 943 B5R0.3 C=CC(C)ON MCULE-3428023923 [0,1,0,0,0,0|1,0,1]=3 944 B5R0.3 C=CC(Cl)CCl MCULE-8000466907 [0,1,0,0,0,0|1,1,1]=4 945 B5R0.3 C=CC(N)CC MCULE-6270835453 [0,1,0,0,0,0|2,0,1]=4 946 B5R0.3 C=CC(N)CC MCULE-7920121163 [0,1,0,0,0,0|2,0,1]=4 947 B5R0.3 C=CC(N)CO MCULE-2457433196 [0,1,0,0,0,0|2,0,1]=4 948 B5R0.3 C=CC(N)CO MCULE-6697949182 [0,1,0,0,0,0|2,0,1]=4 949 B5R0.3 C=CC(N)CO MCULE-7137123222 [0,1,0,0,0,0|2,0,1]=4 950 B5R0.3 C=CC(N)CO MCULE-8388687355 [0,1,0,0,0,0|2,0,1]=4 951 B5R0.3 C=CC(O)C#N MCULE-2341615846 [0,1,0,0,0,0|1,0,2]=4 952 B5R0.3 C=CC(O)C=C MCULE-7283842025 [0,1,0,0,0,0|1,0,2]=4 953 B5R0.3 C=CC(O)CBr MCULE-3538023814 [0,1,0,0,0,0|0,0,1]=2 954 B5R0.3 C=CC(O)CC MCULE-2794806228 [0,1,0,0,0,0|1,0,1]=3 955 B5R0.3 C=CC(O)CN MCULE-3472823475 [0,1,0,0,0,0|1,0,1]=3 956 B5R0.3 C=CC(O)CO MCULE-6172654550 [0,1,0,0,0,0|1,0,1]=3 957 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [0,1,0,0,0,0|2,0,1]=4 958 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [0,1,0,0,0,0|2,0,1]=4 959 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [0,1,0,0,0,0|2,0,1]=4 960 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [0,1,0,0,0,0|2,0,1]=4 961 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [0,1,0,0,0,0|1,0,1]=3 962 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [0,1,0,0,0,0|2,0,1]=4 963 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [0,1,0,0,0,0|2,0,1]=4 964 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [0,1,0,0,0,0|2,0,1]=4 965 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [0,1,0,0,0,0|2,0,1]=4 966 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [0,1,0,0,0,0|1,0,1]=3 967 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [0,1,0,0,0,0|1,0,1]=3 968 B5R0.3 CC(=CBr)C#N MCULE-9263455697 [0,1,0,0,0,0|1,0,2]=4 969 B5R0.3 CC(=CCl)CCl MCULE-2732105685 [0,1,0,0,0,0|1,1,1]=4 970 B5R0.3 CC(=CI)CI MCULE-3347686188 [0,1,0,0,0,0|1,1,1]=4 971 B5R0.3 CC(=CI)CO MCULE-8491569199 [0,1,0,0,0,0|0,1,2]=4 972 B5R0.3 CC(=NO)CS MCULE-9694340512 [0,1,0,0,0,0|1,0,1]=3 973 B5R0.3 CC(C#N)C#N MCULE-2264412372 [0,1,0,0,0,0|2,0,1]=4 974 B5R0.3 CC(C#N)CCl MCULE-9290621020 [0,1,0,0,0,0|1,1,0]=3 975 B5R0.3 CC(C#N)CN MCULE-8151367276 [0,1,0,0,0,0|2,0,0]=3 976 B5R0.3 CC(C#N)CO MCULE-1644391554 [0,1,0,0,0,0|1,0,1]=3 977 B5R0.3 CC(CBr)CBr MCULE-7586113999 [0,1,0,0,0,0|1,0,0]=2 978 B5R0.3 CC(CCl)CBr MCULE-5101754687 [0,1,0,0,0,0|1,0,0]=2 979 B5R0.3 CC(CCl)CCl MCULE-1169456620 [0,1,0,0,0,0|1,1,0]=3 980 B5R0.3 CC(CI)CI MCULE-4568725580 [0,1,0,0,0,0|1,1,0]=3 981 B5R0.3 CC(CN)CCl MCULE-2423692318 [0,1,0,0,0,0|1,1,0]=3 982 B5R0.3 CC(CN)CCl MCULE-8419541212 [0,1,0,0,0,0|1,1,0]=3 983 B5R0.3 CC(CN)CN MCULE-1464804013 [0,1,0,0,0,0|2,0,0]=3 984 B5R0.3 CC(CN)CN MCULE-3273307813 [0,1,0,0,0,0|2,0,0]=3 985 B5R0.3 CC(CN)CO MCULE-5880795484 [0,1,0,0,0,0|1,0,0]=2 986 B5R0.3 CC(CN)CO MCULE-8083007887 [0,1,0,0,0,0|1,0,0]=2 987 B5R0.3 CC(CO)CBr MCULE-3815333295 [0,1,0,0,0,0|0,0,0]=1 988 B5R0.3 CC(CO)CBr MCULE-5695891877 [0,1,0,0,0,0|0,0,0]=1 989 B5R0.3 CC(CO)CO MCULE-2340730326 [0,1,0,0,0,0|1,0,0]=2 990 B5R0.3 CC(CO)CS MCULE-1990992504 [0,1,0,0,0,0|1,0,0]=2 991 B5R0.3 CC(CO)NN MCULE-3362748538 [0,1,0,0,0,0|2,0,0]=3 992 B5R0.3 CC(CO)NN MCULE-4440318216 [0,1,0,0,0,0|2,0,0]=3 993 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [0,1,0,0,0,0|1,0,1]=3 994 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [0,1,0,0,0,0|2,0,1]=4 995 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [0,1,0,0,0,0|2,0,1]=4 996 B5R0.3 CC=C(C)CC MCULE-5790494157 [0,1,0,0,0,0|2,0,1]=4 997 B5R0.3 CC=C(C)CCl MCULE-2444762050 [0,1,0,0,0,0|1,1,1]=4 998 B5R0.3 CCC(=N)OC MCULE-4123543795 [0,1,0,0,0,0|2,0,1]=4 999 B5R0.3 CCC(=N)OC MCULE-5346320805 [0,1,0,0,0,0|2,0,1]=4 1000 B5R0.3 CCC(=NO)C MCULE-1859652505 [0,1,0,0,0,0|1,0,1]=3 1001 B5R0.3 CCC(=O)CBr MCULE-7825573294 [0,1,0,0,0,0|0,0,2]=3 1002 B5R0.3 CCC(=O)CC MCULE-8236549739 [0,1,0,0,0,0|1,0,2]=4 1003 B5R0.3 CCC(=O)CCl MCULE-9019890380 [0,1,0,0,0,0|0,1,2]=4 1004 B5R0.3 CCC(=O)CN MCULE-1863418812 [0,1,0,0,0,0|1,0,2]=4 1005 B5R0.3 CCC(=O)CN MCULE-5831164340 [0,1,0,0,0,0|1,0,2]=4 1006 B5R0.3 CCC(=O)CO MCULE-8674894820 [0,1,0,0,0,0|1,0,2]=4 1007 B5R0.3 CCC(=O)NC MCULE-5612060170 [0,1,0,0,0,0|1,0,2]=4 1008 B5R0.3 CCC(=O)NO MCULE-1033164448 [0,1,0,0,0,0|2,0,1]=4 1009 B5R0.3 CCC(=O)OC MCULE-7384824725 [0,1,0,0,0,0|1,0,2]=4 1010 B5R0.3 CCC(=O)SC MCULE-9712192191 [0,1,0,0,0,0|1,0,2]=4 1011 B5R0.3 CCC(Br)C#N MCULE-4015907163 [0,1,0,0,0,0|2,0,1]=4 1012 B5R0.3 CCC(Br)C=O MCULE-3064952987 [0,1,0,0,0,0|2,0,1]=4 1013 B5R0.3 CCC(Br)CBr MCULE-5254958560 [0,1,0,0,0,0|1,0,0]=2 1014 B5R0.3 CCC(Br)CC MCULE-7435628721 [0,1,0,0,0,0|2,0,0]=3 1015 B5R0.3 CCC(Br)CO MCULE-7211805716 [0,1,0,0,0,0|2,0,0]=3 1016 B5R0.3 CCC(C)C#N MCULE-6204122967 [0,1,0,0,0,0|2,0,0]=3 1017 B5R0.3 CCC(C)C=O MCULE-2523669899 [0,1,0,0,0,0|1,0,1]=3 1018 B5R0.3 CCC(C)CBr MCULE-5451416952 [0,1,0,0,0,0|1,0,0]=2 1019 B5R0.3 CCC(C)CC MCULE-2542807917 [0,1,0,0,0,0|2,0,0]=3 1020 B5R0.3 CCC(C)CCl MCULE-7450386476 [0,1,0,0,0,0|1,1,0]=3 1021 B5R0.3 CCC(C)CI MCULE-5444509280 [0,1,0,0,0,0|1,1,0]=3 1022 B5R0.3 CCC(C)CN MCULE-2777327284 [0,1,0,0,0,0|2,0,0]=3 1023 B5R0.3 CCC(C)CN MCULE-7014901600 [0,1,0,0,0,0|2,0,0]=3 1024 B5R0.3 CCC(C)CO MCULE-6521026296 [0,1,0,0,0,0|1,0,0]=2 1025 B5R0.3 CCC(C)CS MCULE-7795095685 [0,1,0,0,0,0|1,1,0]=3 1026 B5R0.3 CCC(C)NC MCULE-2676584804 [0,1,0,0,0,0|2,0,0]=3 1027 B5R0.3 CCC(C)NC MCULE-6158046887 [0,1,0,0,0,0|2,0,0]=3 1028 B5R0.3 CCC(C)NN MCULE-6074476998 [0,1,0,0,0,0|2,0,0]=3 1029 B5R0.3 CCC(C)NN MCULE-8130021960 [0,1,0,0,0,0|2,0,0]=3 1030 B5R0.3 CCC(C)NN MCULE-8519369369 [0,1,0,0,0,0|2,0,0]=3 1031 B5R0.3 CCC(C)NO MCULE-1247092627 [0,1,0,0,0,0|1,0,0]=2 1032 B5R0.3 CCC(C)NO MCULE-6169819668 [0,1,0,0,0,0|1,0,0]=2 1033 B5R0.3 CCC(C)OC MCULE-7354431606 [0,1,0,0,0,0|1,0,0]=2 1034 B5R0.3 CCC(C)ON MCULE-2907890438 [0,1,0,0,0,0|1,0,0]=2 1035 B5R0.3 CCC(C)ON MCULE-4364205813 [0,1,0,0,0,0|1,0,0]=2 1036 B5R0.3 CCC(Cl)C#N MCULE-7185233128 [0,1,0,0,0,0|2,0,1]=4 1037 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [0,1,0,0,0,0|2,0,1]=4 1038 B5R0.3 CCC(Cl)CCl MCULE-5122022797 [0,1,0,0,0,0|1,1,0]=3 1039 B5R0.3 CCC(Cl)CO MCULE-1756262629 [0,1,0,0,0,0|2,0,0]=3 1040 B5R0.3 CCC(F)CBr MCULE-3226052264 [0,1,0,0,0,0|1,0,0]=2 1041 B5R0.3 CCC(F)CN MCULE-1291385596 [0,1,0,0,0,0|2,0,0]=3 1042 B5R0.3 CCC(F)CN MCULE-7421331323 [0,1,0,0,0,0|2,0,0]=3 1043 B5R0.3 CCC(I)CC MCULE-1119844552 [0,1,0,0,0,0|2,0,0]=3 1044 B5R0.3 CCC(N)C#N MCULE-1350483203 [0,1,0,0,0,0|2,0,1]=4 1045 B5R0.3 CCC(N)C#N MCULE-3867024162 [0,1,0,0,0,0|2,0,1]=4 1046 B5R0.3 CCC(N)CBr MCULE-3567691924 [0,1,0,0,0,0|1,0,0]=2 1047 B5R0.3 CCC(N)CC MCULE-4261937519 [0,1,0,0,0,0|2,0,0]=3 1048 B5R0.3 CCC(N)CC MCULE-5899128891 [0,1,0,0,0,0|2,0,0]=3 1049 B5R0.3 CCC(N)CN MCULE-6911484065 [0,1,0,0,0,0|2,0,0]=3 1050 B5R0.3 CCC(N)CN MCULE-8376506697 [0,1,0,0,0,0|2,0,0]=3 1051 B5R0.3 CCC(N)CO MCULE-1135809021 [0,1,0,0,0,0|2,0,0]=3 1052 B5R0.3 CCC(N)CO MCULE-7588854111 [0,1,0,0,0,0|2,0,0]=3 1053 B5R0.3 CCC(O)C#N MCULE-5389816542 [0,1,0,0,0,0|1,0,1]=3 1054 B5R0.3 CCC(O)CBr MCULE-4205031860 [0,1,0,0,0,0|0,0,0]=1 1055 B5R0.3 CCC(O)CC MCULE-5553645045 [0,1,0,0,0,0|1,0,0]=2 1056 B5R0.3 CCC(O)CCl MCULE-8359810208 [0,1,0,0,0,0|0,1,0]=2 1057 B5R0.3 CCC(O)CN MCULE-5197026448 [0,1,0,0,0,0|1,0,0]=2 1058 B5R0.3 CCC(O)CO MCULE-2488753438 [0,1,0,0,0,0|1,0,0]=2 1059 B5R0.3 CCC(O)CO MCULE-7297282094 [0,1,0,0,0,0|1,0,0]=2 1060 B5R0.3 CCC(S)CC MCULE-2556259434 [0,1,0,0,0,0|1,1,0]=3 1061 B5R0.3 CCC(S)CS MCULE-9332449950 [0,1,0,0,0,0|1,1,0]=3 1062 B5R0.3 CCC([NH3+])CBr MCULE-6971158198 [0,1,0,0,0,0|1,0,0]=2 1063 B5R0.3 CCN(C)C#N MCULE-1247613129 [0,1,0,0,0,0|3,0,0]=4 1064 B5R0.3 CCN(C)C=O MCULE-2308681384 [0,1,0,0,0,0|2,0,1]=4 1065 B5R0.3 CCN(C)CC MCULE-7207964917 [0,1,0,0,0,0|3,0,0]=4 1066 B5R0.3 CCN(N)CC MCULE-9853386945 [0,1,0,0,0,0|3,0,0]=4 1067 B5R0.3 CCN(N)CC MCULE-9962617398 [0,1,0,0,0,0|3,0,0]=4 1068 B5R0.3 CCN(O)CC MCULE-6022935768 [0,1,0,0,0,0|2,0,0]=3 1069 B5R0.3 CCP(=O)CC MCULE-2216184595 [0,1,0,0,0,0|2,0,1]=4 1070 B5R0.3 CCP(Cl)CC MCULE-4484529264 [0,1,0,0,0,0|3,0,0]=4 1071 B5R0.3 CCS(=O)CC MCULE-5102735179 [0,1,0,0,0,0|2,0,1]=4 1072 B5R0.3 CC[C@@H](C)CBr MCULE-5675886072 [0,1,0,0,0,0|1,0,0]=2 1073 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [0,1,0,0,0,0|2,0,0]=3 1074 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [0,1,0,0,0,0|1,0,0]=2 1075 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [0,1,0,0,0,0|1,0,0]=2 1076 B5R0.3 CC[C@@H](N)C#N MCULE-3696119254 [0,1,0,0,0,0|2,0,1]=4 1077 B5R0.3 CC[C@@H](N)C#N MCULE-5586041766 [0,1,0,0,0,0|2,0,1]=4 1078 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [0,1,0,0,0,0|2,0,0]=3 1079 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [0,1,0,0,0,0|2,0,0]=3 1080 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [0,1,0,0,0,0|1,0,0]=2 1081 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [0,1,0,0,0,0|1,0,0]=2 1082 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [0,1,0,0,0,0|1,0,0]=2 1083 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [0,1,0,0,0,0|1,0,0]=2 1084 B5R0.3 CC[C@H](C)C#N MCULE-9118306872 [0,1,0,0,0,0|2,0,0]=3 1085 B5R0.3 CC[C@H](C)CBr MCULE-3263714447 [0,1,0,0,0,0|1,0,0]=2 1086 B5R0.3 CC[C@H](C)CBr MCULE-3384648570 [0,1,0,0,0,0|1,0,0]=2 1087 B5R0.3 CC[C@H](C)CCl MCULE-6795758745 [0,1,0,0,0,0|1,1,0]=3 1088 B5R0.3 CC[C@H](C)CCl MCULE-8147276830 [0,1,0,0,0,0|1,1,0]=3 1089 B5R0.3 CC[C@H](C)CI MCULE-9690776923 [0,1,0,0,0,0|1,1,0]=3 1090 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [0,1,0,0,0,0|2,0,0]=3 1091 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [0,1,0,0,0,0|2,0,0]=3 1092 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [0,1,0,0,0,0|2,0,0]=3 1093 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [0,1,0,0,0,0|2,0,0]=3 1094 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [0,1,0,0,0,0|1,0,0]=2 1095 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [0,1,0,0,0,0|1,0,0]=2 1096 B5R0.3 CC[C@H](N)C#N MCULE-4431283179 [0,1,0,0,0,0|2,0,1]=4 1097 B5R0.3 CC[C@H](N)C#N MCULE-8842235277 [0,1,0,0,0,0|2,0,1]=4 1098 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [0,1,0,0,0,0|1,1,0]=3 1099 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [0,1,0,0,0,0|1,1,0]=3 1100 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [0,1,0,0,0,0|2,0,0]=3 1101 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [0,1,0,0,0,0|2,0,0]=3 1102 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [0,1,0,0,0,0|1,0,0]=2 1103 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [0,1,0,0,0,0|1,0,0]=2 1104 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [0,1,0,0,0,0|1,0,0]=2 1105 B5R0.3 CNC(=N)CO MCULE-3239749882 [0,1,0,0,0,0|2,0,1]=4 1106 B5R0.3 CNC(=O)CBr MCULE-1439209307 [0,1,0,0,0,0|0,0,2]=3 1107 B5R0.3 CNC(=O)CCl MCULE-1437904095 [0,1,0,0,0,0|0,1,2]=4 1108 B5R0.3 CNC(=O)CI MCULE-1687694185 [0,1,0,0,0,0|0,1,2]=4 1109 B5R0.3 CNC(=O)CN MCULE-1901033297 [0,1,0,0,0,0|1,0,2]=4 1110 B5R0.3 CNC(=O)CN MCULE-8532774234 [0,1,0,0,0,0|1,0,2]=4 1111 B5R0.3 CNC(=O)CO MCULE-5899226107 [0,1,0,0,0,0|1,0,2]=4 1112 B5R0.3 CNC(=O)CS MCULE-7032391129 [0,1,0,0,0,0|1,0,2]=4 1113 B5R0.3 CNC(C)C#N MCULE-6126262950 [0,1,0,0,0,0|2,0,1]=4 1114 B5R0.3 CNC(C)C#N MCULE-8508083404 [0,1,0,0,0,0|2,0,1]=4 1115 B5R0.3 CNC(C)CN MCULE-1599162912 [0,1,0,0,0,0|2,0,0]=3 1116 B5R0.3 CNC(C)CN MCULE-1637391260 [0,1,0,0,0,0|2,0,0]=3 1117 B5R0.3 CNC(C)CO MCULE-3841057780 [0,1,0,0,0,0|2,0,0]=3 1118 B5R0.3 CNC(C)CO MCULE-6474892275 [0,1,0,0,0,0|2,0,0]=3 1119 B5R0.3 CN[C@@H](C)CO MCULE-1633741835 [0,1,0,0,0,0|2,0,0]=3 1120 B5R0.3 CN[C@@H](C)CO MCULE-6736108875 [0,1,0,0,0,0|2,0,0]=3 1121 B5R0.3 CN[C@@H](C)CO MCULE-7554801630 [0,1,0,0,0,0|2,0,0]=3 1122 B5R0.3 CN[C@@H](C)CO MCULE-9312521497 [0,1,0,0,0,0|2,0,0]=3 1123 B5R0.3 CN[C@H](C)CO MCULE-2402322400 [0,1,0,0,0,0|2,0,0]=3 1124 B5R0.3 CN[C@H](C)CO MCULE-4362091386 [0,1,0,0,0,0|2,0,0]=3 1125 B5R0.3 CN[C@H](C)CO MCULE-5426855707 [0,1,0,0,0,0|2,0,0]=3 1126 B5R0.3 CN[C@H](C)CO MCULE-9777995604 [0,1,0,0,0,0|2,0,0]=3 1127 B5R0.3 COC(=N)CCl MCULE-2713131753 [0,1,0,0,0,0|1,1,1]=4 1128 B5R0.3 COC(=N)CCl MCULE-6471252676 [0,1,0,0,0,0|1,1,1]=4 1129 B5R0.3 COC(=O)CBr MCULE-2684954408 [0,1,0,0,0,0|0,0,2]=3 1130 B5R0.3 COC(=O)CCl MCULE-5886832940 [0,1,0,0,0,0|0,1,2]=4 1131 B5R0.3 COC(=O)CF MCULE-4367430175 [0,1,0,0,0,0|0,1,2]=4 1132 B5R0.3 COC(=O)CI MCULE-9545584156 [0,1,0,0,0,0|0,1,2]=4 1133 B5R0.3 COC(=O)CN MCULE-7462799100 [0,1,0,0,0,0|1,0,2]=4 1134 B5R0.3 COC(=O)CN MCULE-8887061469 [0,1,0,0,0,0|1,0,2]=4 1135 B5R0.3 COC(=O)CO MCULE-8734582763 [0,1,0,0,0,0|1,0,2]=4 1136 B5R0.3 COC(=O)CS MCULE-3020830180 [0,1,0,0,0,0|1,0,2]=4 1137 B5R0.3 COC(C)C#N MCULE-7716445717 [0,1,0,0,0,0|1,0,1]=3 1138 B5R0.3 COC(C)CBr MCULE-6831960550 [0,1,0,0,0,0|0,0,0]=1 1139 B5R0.3 COC(C)CCl MCULE-6614968111 [0,1,0,0,0,0|0,1,0]=2 1140 B5R0.3 COC(C)CI MCULE-9561627722 [0,1,0,0,0,0|0,1,0]=2 1141 B5R0.3 COC(C)CN MCULE-1378513525 [0,1,0,0,0,0|1,0,0]=2 1142 B5R0.3 COC(C)CN MCULE-6114730248 [0,1,0,0,0,0|1,0,0]=2 1143 B5R0.3 COC(C)CN MCULE-7516064224 [0,1,0,0,0,0|1,0,0]=2 1144 B5R0.3 COC(C)CN MCULE-8277408054 [0,1,0,0,0,0|1,0,0]=2 1145 B5R0.3 COC(C)CO MCULE-5269990702 [0,1,0,0,0,0|1,0,0]=2 1146 B5R0.3 COC(C)CO MCULE-7173093332 [0,1,0,0,0,0|1,0,0]=2 1147 B5R0.3 COC(C)OC MCULE-8241616143 [0,1,0,0,0,0|2,0,0]=3 1148 B5R0.3 CON(C)C=O MCULE-6743121315 [0,1,0,0,0,0|2,0,1]=4 1149 B5R0.3 CO[C@@H](C)C#N MCULE-1453263443 [0,1,0,0,0,0|1,0,1]=3 1150 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [0,1,0,0,0,0|1,0,0]=2 1151 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [0,1,0,0,0,0|1,0,0]=2 1152 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [0,1,0,0,0,0|1,0,0]=2 1153 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [0,1,0,0,0,0|1,0,0]=2 1154 B5R0.3 CO[C@@H](C)CO MCULE-5600457791 [0,1,0,0,0,0|1,0,0]=2 1155 B5R0.3 CO[C@@H](C)CO MCULE-7981152382 [0,1,0,0,0,0|1,0,0]=2 1156 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [0,1,0,0,0,0|1,0,0]=2 1157 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [0,1,0,0,0,0|1,0,0]=2 1158 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [0,1,0,0,0,0|1,0,0]=2 1159 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [0,1,0,0,0,0|1,0,0]=2 1160 B5R0.3 CO[C@H](C)CO MCULE-4211976708 [0,1,0,0,0,0|1,0,0]=2 1161 B5R0.3 CO[C@H](C)CO MCULE-7592020348 [0,1,0,0,0,0|1,0,0]=2 1162 B5R0.3 CS/C(=N/O)/C MCULE-8496912522 [0,1,0,0,0,0|2,0,1]=4 1163 B5R0.3 CSC(=NO)C MCULE-1500524467 [0,1,0,0,0,0|2,0,1]=4 1164 B5R0.3 CSC(C)CN MCULE-8841622109 [0,1,0,0,0,0|1,1,0]=3 1165 B5R0.3 CSC(C)CO MCULE-4646435737 [0,1,0,0,0,0|1,1,0]=3 1166 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [0,1,0,0,0,0|1,0,0]=2 1167 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [0,1,0,0,0,0|1,0,0]=2 1168 B5R0.3 C[C@@H](CO)CBr MCULE-3691541800 [0,1,0,0,0,0|0,0,0]=1 1169 B5R0.3 C[C@@H](CO)CBr MCULE-4447849056 [0,1,0,0,0,0|0,0,0]=1 1170 B5R0.3 C[C@H](CO)CBr MCULE-4031825779 [0,1,0,0,0,0|0,0,0]=1 1171 B5R0.3 C[C@H](CO)CBr MCULE-6846167456 [0,1,0,0,0,0|0,0,0]=1 1172 B5R0.3 ClCC(Br)CBr MCULE-2454576835 [0,1,0,0,0,0|1,0,0]=2 1173 B5R0.3 ClCC(Cl)CCl MCULE-3839333809 [0,1,0,0,0,0|1,1,0]=3 1174 B5R0.3 FCC(Br)CBr MCULE-3296621964 [0,1,0,0,0,0|1,0,0]=2 1175 B5R0.3 FCC(Cl)CF MCULE-6083002482 [0,1,0,0,0,0|1,1,0]=3 1176 B5R0.3 FCC(I)CF MCULE-1837926612 [0,1,0,0,0,0|1,1,0]=3 1177 B5R0.3 N#CC(Br)CBr MCULE-2310311576 [0,1,0,0,0,0|1,0,1]=3 1178 B5R0.3 N#CC(Cl)CCl MCULE-2637194973 [0,1,0,0,0,0|1,1,1]=4 1179 B5R0.3 N#CC(N)CO MCULE-5918855868 [0,1,0,0,0,0|2,0,1]=4 1180 B5R0.3 N#CC(N)CO MCULE-8439000158 [0,1,0,0,0,0|2,0,1]=4 1181 B5R0.3 N/C(=N/O)/CF MCULE-8149459701 [0,1,0,0,0,0|1,1,1]=4 1182 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [0,1,0,0,0,0|2,0,1]=4 1183 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [0,1,0,0,0,0|1,1,1]=4 1184 B5R0.3 NC(CF)CF MCULE-4671221738 [0,1,0,0,0,0|1,1,0]=3 1185 B5R0.3 NC(CF)CF MCULE-8916274721 [0,1,0,0,0,0|1,1,0]=3 1186 B5R0.3 NC(CO)CF MCULE-3756808200 [0,1,0,0,0,0|1,1,0]=3 1187 B5R0.3 NC(CO)CF MCULE-9468719402 [0,1,0,0,0,0|1,1,0]=3 1188 B5R0.3 NC(CO)CO MCULE-1559988016 [0,1,0,0,0,0|2,0,0]=3 1189 B5R0.3 NC(CO)CO MCULE-4954119952 [0,1,0,0,0,0|2,0,0]=3 1190 B5R0.3 NCC(=O)CN MCULE-2420991481 [0,1,0,0,0,0|1,0,2]=4 1191 B5R0.3 NCC(=O)CN MCULE-8626789745 [0,1,0,0,0,0|1,0,2]=4 1192 B5R0.3 NCC(=O)NO MCULE-5417617455 [0,1,0,0,0,0|2,0,1]=4 1193 B5R0.3 NCC(Br)CBr MCULE-4507622045 [0,1,0,0,0,0|1,0,0]=2 1194 B5R0.3 NCC(Br)CBr MCULE-9707598399 [0,1,0,0,0,0|1,0,0]=2 1195 B5R0.3 NCC(F)CN MCULE-8855486562 [0,1,0,0,0,0|2,0,0]=3 1196 B5R0.3 NCC(F)CO MCULE-6156319956 [0,1,0,0,0,0|2,0,0]=3 1197 B5R0.3 NCC(F)CO MCULE-7472307328 [0,1,0,0,0,0|2,0,0]=3 1198 B5R0.3 NCC(O)CCl MCULE-1566349721 [0,1,0,0,0,0|0,1,0]=2 1199 B5R0.3 NCC(O)CCl MCULE-3532626994 [0,1,0,0,0,0|0,1,0]=2 1200 B5R0.3 NCC(O)CCl MCULE-5045913208 [0,1,0,0,0,0|0,1,0]=2 1201 B5R0.3 NCC(O)CCl MCULE-7168455596 [0,1,0,0,0,0|0,1,0]=2 1202 B5R0.3 NCC(O)CF MCULE-7529777116 [0,1,0,0,0,0|0,1,0]=2 1203 B5R0.3 NCC(O)CF MCULE-8092861019 [0,1,0,0,0,0|0,1,0]=2 1204 B5R0.3 NCC(O)CN MCULE-4689186078 [0,1,0,0,0,0|1,0,0]=2 1205 B5R0.3 NCC(O)CO MCULE-2689763818 [0,1,0,0,0,0|1,0,0]=2 1206 B5R0.3 NCC(O)CO MCULE-6096620010 [0,1,0,0,0,0|1,0,0]=2 1207 B5R0.3 NCC(O)CO MCULE-7307777212 [0,1,0,0,0,0|1,0,0]=2 1208 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [0,1,0,0,0,0|2,0,0]=3 1209 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [0,1,0,0,0,0|2,0,0]=3 1210 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [0,1,0,0,0,0|2,0,0]=3 1211 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [0,1,0,0,0,0|2,0,0]=3 1212 B5R0.3 NC[C@@H](O)CCl MCULE-1905964392 [0,1,0,0,0,0|0,1,0]=2 1213 B5R0.3 NC[C@@H](O)CCl MCULE-5592096864 [0,1,0,0,0,0|0,1,0]=2 1214 B5R0.3 NC[C@@H](O)CCl MCULE-5723497450 [0,1,0,0,0,0|0,1,0]=2 1215 B5R0.3 NC[C@@H](O)CCl MCULE-7112738263 [0,1,0,0,0,0|0,1,0]=2 1216 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [0,1,0,0,0,0|1,0,0]=2 1217 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [0,1,0,0,0,0|1,0,0]=2 1218 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [0,1,0,0,0,0|1,0,0]=2 1219 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [0,1,0,0,0,0|2,0,0]=3 1220 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [0,1,0,0,0,0|2,0,0]=3 1221 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [0,1,0,0,0,0|2,0,0]=3 1222 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [0,1,0,0,0,0|2,0,0]=3 1223 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [0,1,0,0,0,0|2,0,0]=3 1224 B5R0.3 NC[C@H](O)CBr MCULE-4679771824 [0,1,0,0,0,0|0,0,0]=1 1225 B5R0.3 NC[C@H](O)CBr MCULE-4785059460 [0,1,0,0,0,0|0,0,0]=1 1226 B5R0.3 NC[C@H](O)CCl MCULE-3625478007 [0,1,0,0,0,0|0,1,0]=2 1227 B5R0.3 NC[C@H](O)CCl MCULE-6692503791 [0,1,0,0,0,0|0,1,0]=2 1228 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [0,1,0,0,0,0|1,0,0]=2 1229 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [0,1,0,0,0,0|1,0,0]=2 1230 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [0,1,0,0,0,0|1,0,0]=2 1231 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [0,1,0,0,0,0|1,0,0]=2 1232 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [0,1,0,0,0,0|1,1,0]=3 1233 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [0,1,0,0,0,0|1,1,0]=3 1234 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [0,1,0,0,0,0|1,1,0]=3 1235 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [0,1,0,0,0,0|1,1,0]=3 1236 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [0,1,0,0,0,0|1,1,0]=3 1237 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [0,1,0,0,0,0|1,1,0]=3 1238 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [0,1,0,0,0,0|1,1,0]=3 1239 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [0,1,0,0,0,0|1,1,0]=3 1240 B5R0.3 O=C(CBr)CBr MCULE-5262523719 [0,1,0,0,0,0|0,0,2]=3 1241 B5R0.3 O=C(CCl)CCl MCULE-2048636813 [0,1,0,0,0,0|0,1,2]=4 1242 B5R0.3 O=C(CF)CF MCULE-8790300272 [0,1,0,0,0,0|0,1,2]=4 1243 B5R0.3 O=C(CO)CO MCULE-7188810449 [0,1,0,0,0,0|1,0,2]=4 1244 B5R0.3 O=CC(O)CO MCULE-9581740191 [0,1,0,0,0,0|1,0,1]=3 1245 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [0,1,0,0,0,0|1,0,1]=3 1246 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [0,1,0,0,0,0|1,0,1]=3 1247 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [0,1,0,0,0,0|1,0,1]=3 1248 B5R0.3 OC(CBr)CBr MCULE-9071238259 [0,1,0,0,0,0|0,0,0]=1 1249 B5R0.3 OC(CCl)CBr MCULE-3844020597 [0,1,0,0,0,0|0,0,0]=1 1250 B5R0.3 OC(CCl)CCl MCULE-7873018520 [0,1,0,0,0,0|0,1,0]=2 1251 B5R0.3 OC(CCl)CI MCULE-3276637880 [0,1,0,0,0,0|0,1,0]=2 1252 B5R0.3 OC(CF)CBr MCULE-3915880352 [0,1,0,0,0,0|0,0,0]=1 1253 B5R0.3 OC(CF)CCl MCULE-6441743377 [0,1,0,0,0,0|0,1,0]=2 1254 B5R0.3 OC(CF)CF MCULE-3360341794 [0,1,0,0,0,0|0,1,0]=2 1255 B5R0.3 OC(CI)CI MCULE-6842895270 [0,1,0,0,0,0|0,1,0]=2 1256 B5R0.3 OCC(Br)CBr MCULE-9616107956 [0,1,0,0,0,0|1,0,0]=2 1257 B5R0.3 OCC(Br)CO MCULE-9272628834 [0,1,0,0,0,0|2,0,0]=3 1258 B5R0.3 OCC(Cl)CCl MCULE-2120585852 [0,1,0,0,0,0|1,1,0]=3 1259 B5R0.3 OCC(Cl)CO MCULE-7487945326 [0,1,0,0,0,0|2,0,0]=3 1260 B5R0.3 OCC(F)CBr MCULE-2889937576 [0,1,0,0,0,0|1,0,0]=2 1261 B5R0.3 OCC(F)CO MCULE-2970537690 [0,1,0,0,0,0|2,0,0]=3 1262 B5R0.3 OCC(O)CBr MCULE-9116190245 [0,1,0,0,0,0|0,0,0]=1 1263 B5R0.3 OCC(O)CCl MCULE-7895191088 [0,1,0,0,0,0|0,1,0]=2 1264 B5R0.3 OCC(O)CCl MCULE-8992242488 [0,1,0,0,0,0|0,1,0]=2 1265 B5R0.3 OCC(O)CF MCULE-3575952891 [0,1,0,0,0,0|0,1,0]=2 1266 B5R0.3 OCC(O)CF MCULE-8981430411 [0,1,0,0,0,0|0,1,0]=2 1267 B5R0.3 OCC(O)CI MCULE-6705992930 [0,1,0,0,0,0|0,1,0]=2 1268 B5R0.3 OCC(O)CO MCULE-6349111826 [0,1,0,0,0,0|1,0,0]=2 1269 B5R0.3 OCC(O)CS MCULE-6300188207 [0,1,0,0,0,0|1,0,0]=2 1270 B5R0.3 OCC(S)CS MCULE-9735516119 [0,1,0,0,0,0|1,1,0]=3 1271 B5R0.3 OC[C@@H](O)CCl MCULE-1311776512 [0,1,0,0,0,0|0,1,0]=2 1272 B5R0.3 OC[C@@H](O)CCl MCULE-2685107404 [0,1,0,0,0,0|0,1,0]=2 1273 B5R0.3 OC[C@@H](O)CF MCULE-3274443966 [0,1,0,0,0,0|0,1,0]=2 1274 B5R0.3 OC[C@@H](O)CF MCULE-5908395855 [0,1,0,0,0,0|0,1,0]=2 1275 B5R0.3 OC[C@H](O)CBr MCULE-5035020863 [0,1,0,0,0,0|0,0,0]=1 1276 B5R0.3 OC[C@H](O)CCl MCULE-2098232262 [0,1,0,0,0,0|0,1,0]=2 1277 B5R0.3 OC[C@H](O)CCl MCULE-5801605349 [0,1,0,0,0,0|0,1,0]=2 1278 B5R0.3 OC[C@H](O)CF MCULE-3309672397 [0,1,0,0,0,0|0,1,0]=2 1279 B5R0.3 OC[C@H](O)CF MCULE-7695783253 [0,1,0,0,0,0|0,1,0]=2 1280 B5R0.3 O[C@@H](CCl)CI MCULE-5324720097 [0,1,0,0,0,0|0,1,0]=2 1281 B5R0.3 O[C@H](CCl)CI MCULE-2790157830 [0,1,0,0,0,0|0,1,0]=2 1282 B5R0.3 [C@H](O)(CN)CCl MCULE-1220791610 [0,1,0,0,0,0|0,1,0]=2 1283 B5R0.3 [C@H](O)(CN)CCl MCULE-4106901858 [0,1,0,0,0,0|0,1,0]=2 1284 B5R0.4 C#CC(C)(C)Br MCULE-7564666708 [0,1,0,0,0,0|2,0,1]=4 1285 B5R0.4 C#CC(C)(C)C MCULE-9881326433 [0,1,0,0,0,0|2,0,1]=4 1286 B5R0.4 C#CC(C)(C)Cl MCULE-2301504796 [0,1,0,0,0,0|2,0,1]=4 1287 B5R0.4 C#CC(C)(C)N MCULE-3908309106 [0,1,0,0,0,0|2,0,1]=4 1288 B5R0.4 C#CC(C)(C)N MCULE-4795277170 [0,1,0,0,0,0|2,0,1]=4 1289 B5R0.4 C#CC(C)(C)O MCULE-7045265182 [0,1,0,0,0,0|1,0,1]=3 1290 B5R0.4 C=CC(C)(C)C MCULE-9118431864 [0,1,0,0,0,0|2,0,1]=4 1291 B5R0.4 C=CC(C)(C)Cl MCULE-4502558407 [0,1,0,0,0,0|2,0,1]=4 1292 B5R0.4 C=CC(C)(C)N MCULE-2016559865 [0,1,0,0,0,0|2,0,1]=4 1293 B5R0.4 C=CC(C)(C)N MCULE-2690537002 [0,1,0,0,0,0|2,0,1]=4 1294 B5R0.4 C=CC(C)(C)O MCULE-5809739830 [0,1,0,0,0,0|1,0,1]=3 1295 B5R0.4 C=CC(C)(Cl)Cl MCULE-7431364327 [0,1,0,0,0,0|2,0,1]=4 1296 B5R0.4 CC(C)(Br)C#N MCULE-3037751424 [0,1,0,0,0,0|2,0,1]=4 1297 B5R0.4 CC(C)(Br)C=O MCULE-8695321251 [0,1,0,0,0,0|2,0,1]=4 1298 B5R0.4 CC(C)(Br)CBr MCULE-2393829265 [0,1,0,0,0,0|1,0,0]=2 1299 B5R0.4 CC(C)(Br)CCl MCULE-4498591413 [0,1,0,0,0,0|1,1,0]=3 1300 B5R0.4 CC(C)(Br)CN MCULE-3220115637 [0,1,0,0,0,0|2,0,0]=3 1301 B5R0.4 CC(C)(Br)CN MCULE-3391853433 [0,1,0,0,0,0|2,0,0]=3 1302 B5R0.4 CC(C)(Br)CN MCULE-3819869078 [0,1,0,0,0,0|2,0,0]=3 1303 B5R0.4 CC(C)(Br)CO MCULE-5949221311 [0,1,0,0,0,0|2,0,0]=3 1304 B5R0.4 CC(C)(C)C#N MCULE-9460858712 [0,1,0,0,0,0|2,0,1]=4 1305 B5R0.4 CC(C)(C)C=O MCULE-6866358966 [0,1,0,0,0,0|2,0,1]=4 1306 B5R0.4 CC(C)(C)CBr MCULE-7545541733 [0,1,0,0,0,0|1,0,0]=2 1307 B5R0.4 CC(C)(C)CCl MCULE-1595599055 [0,1,0,0,0,0|1,1,0]=3 1308 B5R0.4 CC(C)(C)CI MCULE-6879787789 [0,1,0,0,0,0|1,1,0]=3 1309 B5R0.4 CC(C)(C)CN MCULE-1062894260 [0,1,0,0,0,0|2,0,0]=3 1310 B5R0.4 CC(C)(C)CN MCULE-2736289460 [0,1,0,0,0,0|2,0,0]=3 1311 B5R0.4 CC(C)(C)CN MCULE-5919012916 [0,1,0,0,0,0|2,0,0]=3 1312 B5R0.4 CC(C)(C)CN MCULE-6772338754 [0,1,0,0,0,0|2,0,0]=3 1313 B5R0.4 CC(C)(C)CN MCULE-8882959753 [0,1,0,0,0,0|2,0,0]=3 1314 B5R0.4 CC(C)(C)CO MCULE-4399535684 [0,1,0,0,0,0|2,0,0]=3 1315 B5R0.4 CC(C)(C)CS MCULE-7279455818 [0,1,0,0,0,0|2,0,0]=3 1316 B5R0.4 CC(C)(C)N=O MCULE-9098145731 [0,1,0,0,0,0|3,0,0]=4 1317 B5R0.4 CC(C)(C)NN MCULE-5464543607 [0,1,0,0,0,0|3,0,0]=4 1318 B5R0.4 CC(C)(C)NN MCULE-7962318499 [0,1,0,0,0,0|3,0,0]=4 1319 B5R0.4 CC(C)(C)NO MCULE-4676405280 [0,1,0,0,0,0|3,0,0]=4 1320 B5R0.4 CC(C)(C)NO MCULE-6482556352 [0,1,0,0,0,0|3,0,0]=4 1321 B5R0.4 CC(C)(C)NO MCULE-7368313644 [0,1,0,0,0,0|3,0,0]=4 1322 B5R0.4 CC(C)(C)ON MCULE-4114810129 [0,1,0,0,0,0|3,0,0]=4 1323 B5R0.4 CC(C)(C)ON MCULE-8439583419 [0,1,0,0,0,0|3,0,0]=4 1324 B5R0.4 CC(C)(C)OO MCULE-2835127745 [0,1,0,0,0,0|3,0,0]=4 1325 B5R0.4 CC(C)(C)O[NH3+] MCULE-3812247399 [0,1,0,0,0,0|3,0,0]=4 1326 B5R0.4 CC(C)(C)O[NH3+] MCULE-9310624088 [0,1,0,0,0,0|3,0,0]=4 1327 B5R0.4 CC(C)(Cl)CCl MCULE-3251179033 [0,1,0,0,0,0|1,1,0]=3 1328 B5R0.4 CC(C)(F)C=O MCULE-4323838362 [0,1,0,0,0,0|2,0,1]=4 1329 B5R0.4 CC(C)(F)CBr MCULE-3412419931 [0,1,0,0,0,0|1,0,0]=2 1330 B5R0.4 CC(C)(F)CI MCULE-8224019070 [0,1,0,0,0,0|1,1,0]=3 1331 B5R0.4 CC(C)(F)CN MCULE-3150098249 [0,1,0,0,0,0|2,0,0]=3 1332 B5R0.4 CC(C)(F)CN MCULE-8647719519 [0,1,0,0,0,0|2,0,0]=3 1333 B5R0.4 CC(C)(F)CO MCULE-1700621997 [0,1,0,0,0,0|2,0,0]=3 1334 B5R0.4 CC(C)(I)C#N MCULE-4123663068 [0,1,0,0,0,0|2,0,1]=4 1335 B5R0.4 CC(C)(N)C#N MCULE-4837687196 [0,1,0,0,0,0|2,0,1]=4 1336 B5R0.4 CC(C)(N)C#N MCULE-7947575054 [0,1,0,0,0,0|2,0,1]=4 1337 B5R0.4 CC(C)(N)CCl MCULE-2098848089 [0,1,0,0,0,0|1,1,0]=3 1338 B5R0.4 CC(C)(N)CCl MCULE-2847180011 [0,1,0,0,0,0|1,1,0]=3 1339 B5R0.4 CC(C)(N)CF MCULE-3102233948 [0,1,0,0,0,0|1,1,0]=3 1340 B5R0.4 CC(C)(N)CF MCULE-9737357598 [0,1,0,0,0,0|1,1,0]=3 1341 B5R0.4 CC(C)(N)CN MCULE-4218187677 [0,1,0,0,0,0|2,0,0]=3 1342 B5R0.4 CC(C)(N)CN MCULE-6476068080 [0,1,0,0,0,0|2,0,0]=3 1343 B5R0.4 CC(C)(N)CO MCULE-4072416202 [0,1,0,0,0,0|2,0,0]=3 1344 B5R0.4 CC(C)(N)CO MCULE-4209651459 [0,1,0,0,0,0|2,0,0]=3 1345 B5R0.4 CC(C)(N)CO MCULE-6047079177 [0,1,0,0,0,0|2,0,0]=3 1346 B5R0.4 CC(C)(O)C#N MCULE-7494613383 [0,1,0,0,0,0|1,0,1]=3 1347 B5R0.4 CC(C)(O)C=O MCULE-2581637282 [0,1,0,0,0,0|1,0,1]=3 1348 B5R0.4 CC(C)(O)CBr MCULE-6366129174 [0,1,0,0,0,0|0,0,0]=1 1349 B5R0.4 CC(C)(O)CCl MCULE-3118028441 [0,1,0,0,0,0|0,1,0]=2 1350 B5R0.4 CC(C)(O)CF MCULE-6616447132 [0,1,0,0,0,0|0,1,0]=2 1351 B5R0.4 CC(C)(O)CI MCULE-5132198363 [0,1,0,0,0,0|0,1,0]=2 1352 B5R0.4 CC(C)(O)CN MCULE-5270413077 [0,1,0,0,0,0|1,0,0]=2 1353 B5R0.4 CC(C)(O)CN MCULE-7438555366 [0,1,0,0,0,0|1,0,0]=2 1354 B5R0.4 CC(C)(O)CO MCULE-6797456030 [0,1,0,0,0,0|1,0,0]=2 1355 B5R0.4 CC(C)(O)CS MCULE-2370088388 [0,1,0,0,0,0|1,0,0]=2 1356 B5R0.4 CC(C)(S)CN MCULE-4256015369 [0,1,0,0,0,0|1,1,0]=3 1357 B5R0.4 CC(C)(S)CN MCULE-8836856580 [0,1,0,0,0,0|1,1,0]=3 1358 B5R0.4 CC(C)(S)CO MCULE-6119329508 [0,1,0,0,0,0|1,1,0]=3 1359 B5R0.4 CC(Cl)(Cl)C#N MCULE-6657133408 [0,1,0,0,0,0|2,0,1]=4 1360 B5R0.4 CC(Cl)(Cl)CCl MCULE-8236164177 [0,1,0,0,0,0|1,1,0]=3 1361 B5R0.4 CC(F)(F)C#N MCULE-4691626031 [0,1,0,0,0,0|2,0,1]=4 1362 B5R0.4 CC(F)(F)CF MCULE-6634311008 [0,1,0,0,0,0|1,1,0]=3 1363 B5R0.4 CC(F)(F)CN MCULE-5449109500 [0,1,0,0,0,0|2,0,0]=3 1364 B5R0.4 CC(F)(F)CN MCULE-9330314243 [0,1,0,0,0,0|2,0,0]=3 1365 B5R0.4 CC(F)(F)CO MCULE-1049181656 [0,1,0,0,0,0|2,0,0]=3 1366 B5R0.4 CCC(C)(C)Br MCULE-8895489875 [0,1,0,0,0,0|2,0,0]=3 1367 B5R0.4 CCC(C)(C)C MCULE-3388707671 [0,1,0,0,0,0|2,0,0]=3 1368 B5R0.4 CCC(C)(C)Cl MCULE-9597829372 [0,1,0,0,0,0|2,0,0]=3 1369 B5R0.4 CCC(C)(C)I MCULE-3678105747 [0,1,0,0,0,0|2,0,0]=3 1370 B5R0.4 CCC(C)(C)N MCULE-5538333672 [0,1,0,0,0,0|2,0,0]=3 1371 B5R0.4 CCC(C)(C)O MCULE-7894262803 [0,1,0,0,0,0|1,0,0]=2 1372 B5R0.4 CCC(C)(Cl)Cl MCULE-7771494508 [0,1,0,0,0,0|2,0,0]=3 1373 B5R0.4 CCC(C)(F)F MCULE-9944788511 [0,1,0,0,0,0|2,0,0]=3 1374 B5R0.4 CCC(Cl)(Cl)Cl MCULE-2160409083 [0,1,0,0,0,0|3,0,0]=4 1375 B5R0.4 CCC(F)(F)F MCULE-7641898897 [0,1,0,0,0,0|3,0,0]=4 1376 B5R0.4 CCP(=O)(O)O MCULE-5185791919 [0,1,0,0,0,0|3,0,0]=4 1377 B5R0.4 CCS(=N)(=O)C MCULE-6682726319 [0,1,0,0,0,0|2,0,1]=4 1378 B5R0.4 CCS(=O)(=O)C MCULE-8932195925 [0,1,0,0,0,0|2,0,1]=4 1379 B5R0.4 CCS(=O)(=O)O MCULE-4408374633 [0,1,0,0,0,0|3,0,0]=4 1380 B5R0.4 CCS(=O)(=S)O MCULE-3229359913 [0,1,0,0,0,0|3,0,0]=4 1381 B5R0.4 CC[N+](C)(C)C MCULE-6470651588 [0,1,0,0,0,0|3,0,0]=4 1382 B5R0.4 CC[N+](C)(C)C MCULE-9796203912 [0,1,0,0,0,0|3,0,0]=4 1383 B5R0.4 CC[Si](C)(C)C MCULE-3153744967 [0,1,0,0,0,0|2,1,0]=4 1384 B5R0.4 CC[Si](C)(C)Cl MCULE-8119153773 [0,1,0,0,0,0|2,1,0]=4 1385 B5R0.4 CC[Si](C)(Cl)Cl MCULE-6915255927 [0,1,0,0,0,0|2,1,0]=4 1386 B5R0.4 CNC(C)(C)C MCULE-7155937642 [0,1,0,0,0,0|3,0,0]=4 1387 B5R0.4 COC(C)(C)C MCULE-5235179974 [0,1,0,0,0,0|3,0,0]=4 1388 B5R0.4 CP(=O)(C)CCl MCULE-8860798375 [0,1,0,0,0,0|1,1,1]=4 1389 B5R0.4 CS(=O)(=O)CBr MCULE-2231437619 [0,1,0,0,0,0|1,0,1]=3 1390 B5R0.4 CS(=O)(=O)CCl MCULE-3138137071 [0,1,0,0,0,0|1,1,1]=4 1391 B5R0.4 CSC(C)(C)C MCULE-8798542499 [0,1,0,0,0,0|3,0,0]=4 1392 B5R0.4 C[N+](C)(C)CI MCULE-7732841606 [0,1,0,0,0,0|2,1,0]=4 1393 B5R0.4 C[N+](C)(C)CI MCULE-9989677070 [0,1,0,0,0,0|2,1,0]=4 1394 B5R0.4 C[Si](C)(C)CBr MCULE-6919339761 [0,1,0,0,0,0|1,1,0]=3 1395 B5R0.4 C[Si](C)(C)CCl MCULE-5533913994 [0,1,0,0,0,0|1,2,0]=4 1396 B5R0.4 C[Si](C)(C)CI MCULE-6651926938 [0,1,0,0,0,0|1,2,0]=4 1397 B5R0.4 C[Si](C)(C)CN MCULE-1731145216 [0,1,0,0,0,0|2,1,0]=4 1398 B5R0.4 C[Si](C)(C)CO MCULE-7434746060 [0,1,0,0,0,0|2,1,0]=4 1399 B5R0.4 C[Si](C)(Cl)CBr MCULE-5460214135 [0,1,0,0,0,0|1,1,0]=3 1400 B5R0.4 C[Si](C)(Cl)CCl MCULE-3370239990 [0,1,0,0,0,0|1,2,0]=4 1401 B5R0.4 C[Si](Cl)(Cl)CCl MCULE-1432330493 [0,1,0,0,0,0|1,2,0]=4 1402 B5R0.4 ClCC(Cl)(Cl)Cl MCULE-4379418128 [0,1,0,0,0,0|2,1,0]=4 1403 B5R0.4 FC(Cl)(Br)CBr MCULE-2746605943 [0,1,0,0,0,0|2,0,0]=3 1404 B5R0.4 FC(Cl)(Cl)CCl MCULE-4902348458 [0,1,0,0,0,0|2,1,0]=4 1405 B5R0.4 FC(F)(Br)CBr MCULE-8812037187 [0,1,0,0,0,0|2,0,0]=3 1406 B5R0.4 FC(F)(Cl)CCl MCULE-6589768011 [0,1,0,0,0,0|2,1,0]=4 1407 B5R0.4 FC(F)(Cl)CI MCULE-4234726158 [0,1,0,0,0,0|2,1,0]=4 1408 B5R0.4 FC(F)(F)CBr MCULE-6055689988 [0,1,0,0,0,0|2,0,0]=3 1409 B5R0.4 FC(F)(F)CI MCULE-6359270012 [0,1,0,0,0,0|2,1,0]=4 1410 B5R0.4 FC(F)(F)CS MCULE-7976771174 [0,1,0,0,0,0|3,0,0]=4 1411 B5R0.4 FCC(F)(Cl)Cl MCULE-6540407018 [0,1,0,0,0,0|2,1,0]=4 1412 B5R0.4 FCC(F)(F)F MCULE-1377600063 [0,1,0,0,0,0|2,1,0]=4 1413 B5R0.4 F[B-](F)(F)CBr MCULE-2643758129 [0,1,0,0,0,0|3,0,0]=4 1414 B5R0.4 F[B-](F)(F)CBr MCULE-9044826221 [0,1,0,0,0,0|3,0,0]=4 1415 B5R0.4 NCC(Cl)(Cl)Cl MCULE-1247723632 [0,1,0,0,0,0|3,0,0]=4 1416 B5R0.4 NCC(F)(F)Br MCULE-1093541390 [0,1,0,0,0,0|3,0,0]=4 1417 B5R0.4 NCC(F)(F)Br MCULE-4304013482 [0,1,0,0,0,0|3,0,0]=4 1418 B5R0.4 NCC(F)(F)F MCULE-7728009360 [0,1,0,0,0,0|3,0,0]=4 1419 B5R0.4 NCC(F)(F)F MCULE-8741694844 [0,1,0,0,0,0|3,0,0]=4 1420 B5R0.4 NCP(=O)(O)O MCULE-5036947233 [0,1,0,0,0,0|3,0,0]=4 1421 B5R0.4 NCS(=O)(=O)O MCULE-2178285528 [0,1,0,0,0,0|3,0,0]=4 1422 B5R0.4 NS(=O)(=O)CBr MCULE-2367502977 [0,1,0,0,0,0|2,0,1]=4 1423 B5R0.4 O=P(O)(O)CCl MCULE-3749129481 [0,1,0,0,0,0|2,1,0]=4 1424 B5R0.4 O=P(O)(O)CO MCULE-9997097349 [0,1,0,0,0,0|3,0,0]=4 1425 B5R0.4 O=S(=O)(Br)CBr MCULE-8302990275 [0,1,0,0,0,0|2,0,1]=4 1426 B5R0.4 O=S(=O)(Cl)CBr MCULE-9405753775 [0,1,0,0,0,0|2,0,1]=4 1427 B5R0.4 O=S(=O)(F)CBr MCULE-4467942028 [0,1,0,0,0,0|2,0,1]=4 1428 B5R0.4 O=S(=O)(O)CBr MCULE-7461723318 [0,1,0,0,0,0|2,0,0]=3 1429 B5R0.4 O=S(=O)(O)CCl MCULE-4274838804 [0,1,0,0,0,0|2,1,0]=4 1430 B5R0.4 O=S(=O)(O)CO MCULE-9647441782 [0,1,0,0,0,0|3,0,0]=4 1431 B5R0.4 O=S(=O)([O-])CBr MCULE-1195093983 [0,1,0,0,0,0|2,0,1]=4 1432 B5R0.4 OCC(Br)(Br)Br MCULE-9737115042 [0,1,0,0,0,0|3,0,0]=4 1433 B5R0.4 OCC(Cl)(Cl)Cl MCULE-8316955208 [0,1,0,0,0,0|3,0,0]=4 1434 B5R0.4 OCC(F)(Cl)Cl MCULE-2523125765 [0,1,0,0,0,0|3,0,0]=4 1435 B5R0.4 OCC(F)(F)Br MCULE-8857421613 [0,1,0,0,0,0|3,0,0]=4 1436 B5R0.4 OCC(F)(F)Cl MCULE-2727519309 [0,1,0,0,0,0|3,0,0]=4 1437 B5R0.4 OCC(F)(F)F MCULE-1284939486 [0,1,0,0,0,0|3,0,0]=4 1438 B5R0.4 OCC(F)(F)F MCULE-5503592317 [0,1,0,0,0,0|3,0,0]=4 1439 B5R0.4 [Li]C[Si](C)(C)C MCULE-2829151657 [0,1,0,0,0,0|2,1,0]=4 1440 B5R0.4 [O-]CC(F)(F)F MCULE-4404336932 [0,1,0,0,0,0|3,0,0]=4 1441 B5R0.4 [O-]CC(F)(F)F MCULE-8674487943 [0,1,0,0,0,0|3,0,0]=4 1442 B5R0.5 BrC(Br)C(Br)Br MCULE-8965281409 [0,1,0,0,0,0|2,0,0]=3 1443 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,1,0,0,0,0|1,0,2]=4 1444 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [0,1,0,0,0,0|2,0,1]=4 1445 B5R0.5 C=C(C)C(C)Cl MCULE-5294924458 [0,1,0,0,0,0|1,1,1]=4 1446 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [0,1,0,0,0,0|1,0,1]=3 1447 B5R0.5 C=C(C)C(Cl)Cl MCULE-4460311331 [0,1,0,0,0,0|1,1,1]=4 1448 B5R0.5 C=C(C)C(Cl)Cl MCULE-5923487420 [0,1,0,0,0,0|1,1,1]=4 1449 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [0,1,0,0,0,0|1,0,2]=4 1450 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [0,1,0,0,0,0|0,0,2]=3 1451 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [0,1,0,0,0,0|1,0,2]=4 1452 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [0,1,0,0,0,0|0,1,2]=4 1453 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [0,1,0,0,0,0|0,1,2]=4 1454 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,1,0,0,0,0|1,0,2]=4 1455 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,1,0,0,0,0|1,0,2]=4 1456 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,1,0,0,0,0|1,0,1]=3 1457 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [0,1,0,0,0,0|1,0,2]=4 1458 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [0,1,0,0,0,0|0,1,2]=4 1459 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [0,1,0,0,0,0|0,1,2]=4 1460 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,1,0,0,0,0|1,0,2]=4 1461 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,1,0,0,0,0|1,0,2]=4 1462 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,1,0,0,0,0|1,0,2]=4 1463 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,1,0,0,0,0|1,0,2]=4 1464 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [0,1,0,0,0,0|1,0,1]=3 1465 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [0,1,0,0,0,0|1,0,2]=4 1466 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,1,0,0,0,0|1,0,2]=4 1467 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,1,0,0,0,0|1,0,1]=3 1468 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,1,0,0,0,0|1,0,1]=3 1469 B5R0.5 CC(Br)C(C)Br MCULE-8272754345 [0,1,0,0,0,0|1,0,0]=2 1470 B5R0.5 CC(Br)C(Cl)Br MCULE-8471336753 [0,1,0,0,0,0|1,0,0]=2 1471 B5R0.5 CC(Br)C(Cl)Cl MCULE-1643063989 [0,1,0,0,0,0|1,1,0]=3 1472 B5R0.5 CC(C)B(O)O MCULE-1255589444 [0,1,0,0,0,0|3,0,0]=4 1473 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [0,1,0,0,0,0|2,0,1]=4 1474 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [0,1,0,0,0,0|2,0,1]=4 1475 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [0,1,0,0,0,0|1,0,1]=3 1476 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [0,1,0,0,0,0|1,1,1]=4 1477 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,1,0,0,0,0|2,0,1]=4 1478 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,1,0,0,0,0|2,0,1]=4 1479 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [0,1,0,0,0,0|2,0,1]=4 1480 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [0,1,0,0,0,0|2,0,1]=4 1481 B5R0.5 CC(C)C(C)Br MCULE-8934980523 [0,1,0,0,0,0|1,0,0]=2 1482 B5R0.5 CC(C)C(C)C MCULE-7887644548 [0,1,0,0,0,0|2,0,0]=3 1483 B5R0.5 CC(C)C(C)I MCULE-7528764320 [0,1,0,0,0,0|1,1,0]=3 1484 B5R0.5 CC(C)C(C)N MCULE-1630754475 [0,1,0,0,0,0|2,0,0]=3 1485 B5R0.5 CC(C)C(C)N MCULE-1801901816 [0,1,0,0,0,0|2,0,0]=3 1486 B5R0.5 CC(C)C(C)N MCULE-3544463874 [0,1,0,0,0,0|2,0,0]=3 1487 B5R0.5 CC(C)C(C)N MCULE-4774844065 [0,1,0,0,0,0|2,0,0]=3 1488 B5R0.5 CC(C)C(C)O MCULE-4829392845 [0,1,0,0,0,0|1,0,0]=2 1489 B5R0.5 CC(C)C(C)S MCULE-7489203323 [0,1,0,0,0,0|1,1,0]=3 1490 B5R0.5 CC(C)C(I)I MCULE-6684789578 [0,1,0,0,0,0|1,1,0]=3 1491 B5R0.5 CC(C)N(=O)=O MCULE-8418443353 [0,1,0,0,0,0|3,0,0]=4 1492 B5R0.5 CC(C)N(C)C MCULE-1993251030 [0,1,0,0,0,0|3,0,0]=4 1493 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [0,1,0,0,0,0|3,0,0]=4 1494 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [0,1,0,0,0,0|3,0,0]=4 1495 B5R0.5 CC(C)S(=O)[O-] MCULE-2354817364 [0,1,0,0,0,0|3,0,0]=4 1496 B5R0.5 CC(C)[C@@H](C)N MCULE-1953734886 [0,1,0,0,0,0|2,0,0]=3 1497 B5R0.5 CC(C)[C@@H](C)N MCULE-3105334197 [0,1,0,0,0,0|2,0,0]=3 1498 B5R0.5 CC(C)[C@@H](C)N MCULE-9470429569 [0,1,0,0,0,0|2,0,0]=3 1499 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [0,1,0,0,0,0|1,0,0]=2 1500 B5R0.5 CC(C)[C@H](C)N MCULE-2859174363 [0,1,0,0,0,0|2,0,0]=3 1501 B5R0.5 CC(C)[C@H](C)N MCULE-3034457659 [0,1,0,0,0,0|2,0,0]=3 1502 B5R0.5 CC(C)[C@H](C)N MCULE-5904658917 [0,1,0,0,0,0|2,0,0]=3 1503 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [0,1,0,0,0,0|1,0,0]=2 1504 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [0,1,0,0,0,0|1,0,0]=2 1505 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [0,1,0,0,0,0|2,0,1]=4 1506 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [0,1,0,0,0,0|2,0,1]=4 1507 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [0,1,0,0,0,0|1,1,1]=4 1508 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,1,0,0,0,0|2,0,1]=4 1509 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,1,0,0,0,0|1,1,1]=4 1510 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,1,0,0,0,0|1,1,1]=4 1511 B5R0.5 CC(Cl)C(C)Cl MCULE-6954506926 [0,1,0,0,0,0|1,1,0]=3 1512 B5R0.5 CC(Cl)C(Cl)Cl MCULE-1848161215 [0,1,0,0,0,0|1,1,0]=3 1513 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,1,0,0,0,0|1,1,1]=4 1514 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,1,0,0,0,0|2,0,1]=4 1515 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,1,0,0,0,0|2,0,1]=4 1516 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,1,0,0,0,0|2,0,1]=4 1517 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,1,0,0,0,0|2,0,1]=4 1518 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,1,0,0,0,0|2,0,1]=4 1519 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,1,0,0,0,0|2,0,1]=4 1520 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,1,0,0,0,0|2,0,1]=4 1521 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,1,0,0,0,0|2,0,1]=4 1522 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,1,0,0,0,0|2,0,1]=4 1523 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,1,0,0,0,0|2,0,1]=4 1524 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,1,0,0,0,0|2,0,1]=4 1525 B5R0.5 CC(N)C(C)N MCULE-6724099648 [0,1,0,0,0,0|2,0,0]=3 1526 B5R0.5 CC(N)C(C)O MCULE-3512899672 [0,1,0,0,0,0|1,0,0]=2 1527 B5R0.5 CC(N)C(C)O MCULE-6286987696 [0,1,0,0,0,0|1,0,0]=2 1528 B5R0.5 CC(N)C(F)F MCULE-5449346446 [0,1,0,0,0,0|1,1,0]=3 1529 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [0,1,0,0,0,0|1,0,1]=3 1530 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [0,1,0,0,0,0|1,0,1]=3 1531 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,1,0,0,0,0|1,0,1]=3 1532 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,1,0,0,0,0|1,0,1]=3 1533 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,1,0,0,0,0|1,0,1]=3 1534 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,1,0,0,0,0|1,0,1]=3 1535 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,1,0,0,0,0|1,0,1]=3 1536 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,1,0,0,0,0|1,0,1]=3 1537 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,1,0,0,0,0|1,0,1]=3 1538 B5R0.5 CC(O)C(C)Br MCULE-1140424623 [0,1,0,0,0,0|0,0,0]=1 1539 B5R0.5 CC(O)C(C)Cl MCULE-3352632568 [0,1,0,0,0,0|0,1,0]=2 1540 B5R0.5 CC(O)C(C)O MCULE-2858785316 [0,1,0,0,0,0|1,0,0]=2 1541 B5R0.5 CC(O)C(C)S MCULE-3741743569 [0,1,0,0,0,0|1,0,0]=2 1542 B5R0.5 CC(O)C(F)F MCULE-1258374037 [0,1,0,0,0,0|0,1,0]=2 1543 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,1,0,0,0,0|1,1,1]=4 1544 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,1,0,0,0,0|1,1,1]=4 1545 B5R0.5 CC(S)C(C)S MCULE-3508721208 [0,1,0,0,0,0|1,1,0]=3 1546 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,1,0,0,0,0|1,0,1]=3 1547 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,1,0,0,0,0|1,0,1]=3 1548 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [0,1,0,0,0,0|1,1,1]=4 1549 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,1,0,0,0,0|1,1,1]=4 1550 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,1,0,0,0,0|1,1,1]=4 1551 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,1,0,0,0,0|2,0,1]=4 1552 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,1,0,0,0,0|2,0,1]=4 1553 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,1,0,0,0,0|2,0,1]=4 1554 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,1,0,0,0,0|2,0,1]=4 1555 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,1,0,0,0,0|2,0,1]=4 1556 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,1,0,0,0,0|2,0,1]=4 1557 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,1,0,0,0,0|2,0,1]=4 1558 B5R0.5 C[C@@H](N)C(F)F MCULE-3679161461 [0,1,0,0,0,0|1,1,0]=3 1559 B5R0.5 C[C@@H](N)C(F)F MCULE-5068481064 [0,1,0,0,0,0|1,1,0]=3 1560 B5R0.5 C[C@@H](N)[C@@H](C)N MCULE-5194916344 [0,1,0,0,0,0|2,0,0]=3 1561 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [0,1,0,0,0,0|1,0,0]=2 1562 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [0,1,0,0,0,0|1,0,0]=2 1563 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [0,1,0,0,0,0|1,0,0]=2 1564 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [0,1,0,0,0,0|1,0,0]=2 1565 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [0,1,0,0,0,0|1,0,0]=2 1566 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [0,1,0,0,0,0|1,0,1]=3 1567 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [0,1,0,0,0,0|1,0,1]=3 1568 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [0,1,0,0,0,0|1,0,1]=3 1569 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [0,1,0,0,0,0|1,0,1]=3 1570 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,1,0,0,0,0|1,0,1]=3 1571 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,1,0,0,0,0|1,0,1]=3 1572 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,1,0,0,0,0|1,0,1]=3 1573 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,1,0,0,0,0|1,0,1]=3 1574 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,1,0,0,0,0|1,0,1]=3 1575 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,1,0,0,0,0|1,0,1]=3 1576 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,1,0,0,0,0|1,0,1]=3 1577 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-2843927827 [0,1,0,0,0,0|1,0,0]=2 1578 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-3739961672 [0,1,0,0,0,0|1,0,0]=2 1579 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-5488313047 [0,1,0,0,0,0|1,0,0]=2 1580 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [0,1,0,0,0,0|1,0,2]=4 1581 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,1,0,0,0,0|1,0,1]=3 1582 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,1,0,0,0,0|1,0,1]=3 1583 B5R0.5 C[C@H](Br)[C@@H](C)Br MCULE-7263507123 [0,1,0,0,0,0|1,0,0]=2 1584 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,1,0,0,0,0|1,1,1]=4 1585 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,1,0,0,0,0|1,1,1]=4 1586 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,1,0,0,0,0|2,0,1]=4 1587 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,1,0,0,0,0|2,0,1]=4 1588 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,1,0,0,0,0|2,0,1]=4 1589 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,1,0,0,0,0|2,0,1]=4 1590 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,1,0,0,0,0|2,0,1]=4 1591 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,1,0,0,0,0|2,0,1]=4 1592 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,1,0,0,0,0|2,0,1]=4 1593 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,1,0,0,0,0|2,0,1]=4 1594 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,1,0,0,0,0|2,0,1]=4 1595 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,1,0,0,0,0|2,0,1]=4 1596 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,1,0,0,0,0|2,0,1]=4 1597 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,1,0,0,0,0|2,0,1]=4 1598 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,1,0,0,0,0|2,0,1]=4 1599 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [0,1,0,0,0,0|1,0,0]=2 1600 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [0,1,0,0,0,0|1,0,0]=2 1601 B5R0.5 C[C@H](N)[C@H](C)N MCULE-1560418234 [0,1,0,0,0,0|2,0,0]=3 1602 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [0,1,0,0,0,0|1,0,0]=2 1603 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [0,1,0,0,0,0|1,0,0]=2 1604 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [0,1,0,0,0,0|1,0,0]=2 1605 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [0,1,0,0,0,0|1,0,0]=2 1606 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,1,0,0,0,0|1,0,1]=3 1607 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,1,0,0,0,0|1,0,1]=3 1608 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,1,0,0,0,0|1,0,1]=3 1609 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,1,0,0,0,0|1,0,1]=3 1610 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,1,0,0,0,0|1,0,1]=3 1611 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,1,0,0,0,0|1,0,1]=3 1612 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,1,0,0,0,0|1,0,1]=3 1613 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,1,0,0,0,0|1,0,1]=3 1614 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [0,1,0,0,0,0|1,0,0]=2 1615 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [0,1,0,0,0,0|1,0,0]=2 1616 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [0,1,0,0,0,0|1,0,0]=2 1617 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [0,1,0,0,0,0|1,0,0]=2 1618 B5R0.5 C[C@H](O)[C@@H](C)O MCULE-8389904530 [0,1,0,0,0,0|1,0,0]=2 1619 B5R0.5 C[C@H](O)[C@H](C)O MCULE-8448870055 [0,1,0,0,0,0|1,0,0]=2 1620 B5R0.5 C[C@H](O)[C@H](C)O MCULE-9615630900 [0,1,0,0,0,0|1,0,0]=2 1621 B5R0.5 C[C@H](S)[C@@H](C)O MCULE-3347141817 [0,1,0,0,0,0|1,0,0]=2 1622 B5R0.5 ClC(Cl)C(Cl)Cl MCULE-4029260741 [0,1,0,0,0,0|2,1,0]=4 1623 B5R0.5 FC(Cl)C(Cl)Cl MCULE-8036739850 [0,1,0,0,0,0|2,1,0]=4 1624 B5R0.5 FC(Cl)C(F)Cl MCULE-8576959735 [0,1,0,0,0,0|2,1,0]=4 1625 B5R0.5 FC(F)C(Cl)Cl MCULE-3568657525 [0,1,0,0,0,0|2,1,0]=4 1626 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [0,1,0,0,0,0|1,0,2]=4 1627 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [0,1,0,0,0,0|1,0,2]=4 1628 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,1,0,0,0,0|2,0,1]=4 1629 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [0,1,0,0,0,0|1,0,1]=3 1630 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [0,1,0,0,0,0|1,0,1]=3 1631 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [0,1,0,0,0,0|1,1,1]=4 1632 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [0,1,0,0,0,0|1,0,1]=3 1633 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [0,1,0,0,0,0|1,1,1]=4 1634 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [0,1,0,0,0,0|1,1,1]=4 1635 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [0,1,0,0,0,0|1,1,1]=4 1636 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,1,0,0,0,0|2,0,1]=4 1637 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [0,1,0,0,0,0|1,1,1]=4 1638 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [0,1,0,0,0,0|1,1,1]=4 1639 B5R0.5 O=C([O-])C(F)Br MCULE-3214706920 [0,1,0,0,0,0|1,0,2]=4 1640 B5R0.5 O=N(=O)C(Cl)Br MCULE-5560350736 [0,1,0,0,0,0|2,0,1]=4 1641 B5R0.5 O=S(O)C(F)F MCULE-6110273161 [0,1,0,0,0,0|2,1,0]=4 1642 B5R0.5 OC(O)C(Cl)Cl MCULE-3363992346 [0,1,0,0,0,0|1,1,0]=3 1643 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,1,0,0,0,0|1,0,1]=3 1644 B5R0.5 [NH3+]C(C)C(C)[NH3+] MCULE-4215582247 [0,1,0,0,0,0|2,0,0]=3 1645 B5R1.2 BrC1CCC1 MCULE-3713567804 [0,0,0,1,0,0|2,0,0]=3 1646 B5R1.2 BrC1CNC1 MCULE-4959282437 [0,0,0,1,0,0|2,0,0]=3 1647 B5R1.2 BrC1CNC1 MCULE-5635086924 [0,0,0,1,0,0|2,0,0]=3 1648 B5R1.2 BrC1CNC1 MCULE-7561312043 [0,0,0,1,0,0|2,0,0]=3 1649 B5R1.2 BrC1COC1 MCULE-7527620035 [0,0,0,1,0,0|2,0,0]=3 1650 B5R1.2 C=C1CCC1 MCULE-8318650413 [0,0,0,1,0,0|2,0,1]=4 1651 B5R1.2 C=C1CNC1 MCULE-1391021267 [0,0,0,1,0,0|2,0,1]=4 1652 B5R1.2 C=C1CNC1 MCULE-7957953185 [0,0,0,1,0,0|2,0,1]=4 1653 B5R1.2 C=C1COC1 MCULE-1822645869 [0,0,0,1,0,0|2,0,1]=4 1654 B5R1.2 CC1CCN1 MCULE-7952714343 [0,0,0,1,0,0|2,0,0]=3 1655 B5R1.2 CC1CCN1 MCULE-9084374728 [0,0,0,1,0,0|2,0,0]=3 1656 B5R1.2 CC1CNC1 MCULE-3977066574 [0,0,0,1,0,0|2,0,0]=3 1657 B5R1.2 CC1CNC1 MCULE-7868611457 [0,0,0,1,0,0|2,0,0]=3 1658 B5R1.2 C[C@@H]1CCN1 MCULE-1326888606 [0,0,0,1,0,0|2,0,0]=3 1659 B5R1.2 C[C@@H]1CCN1 MCULE-4242598105 [0,0,0,1,0,0|2,0,0]=3 1660 B5R1.2 C[C@@H]1CCN1 MCULE-7982357684 [0,0,0,1,0,0|2,0,0]=3 1661 B5R1.2 C[C@@H]1CCN1 MCULE-9443505478 [0,0,0,1,0,0|2,0,0]=3 1662 B5R1.2 C[C@H]1CCN1 MCULE-3178162849 [0,0,0,1,0,0|2,0,0]=3 1663 B5R1.2 C[C@H]1CCN1 MCULE-4001397038 [0,0,0,1,0,0|2,0,0]=3 1664 B5R1.2 C[C@H]1CCN1 MCULE-4361200248 [0,0,0,1,0,0|2,0,0]=3 1665 B5R1.2 C[C@H]1CCN1 MCULE-6534579029 [0,0,0,1,0,0|2,0,0]=3 1666 B5R1.2 ClC1CCC1 MCULE-2602937313 [0,0,0,1,0,0|2,0,0]=3 1667 B5R1.2 ClC1CNC1 MCULE-2051705029 [0,0,0,1,0,0|2,0,0]=3 1668 B5R1.2 ClC1CNC1 MCULE-6678325694 [0,0,0,1,0,0|2,0,0]=3 1669 B5R1.2 ClC1COC1 MCULE-7266812470 [0,0,0,1,0,0|2,0,0]=3 1670 B5R1.2 FC1CNC1 MCULE-5746598794 [0,0,0,1,0,0|2,0,0]=3 1671 B5R1.2 FC1CNC1 MCULE-9427948721 [0,0,0,1,0,0|2,0,0]=3 1672 B5R1.2 FC1COC1 MCULE-7899811313 [0,0,0,1,0,0|2,0,0]=3 1673 B5R1.2 IC1CCC1 MCULE-3890796264 [0,0,0,1,0,0|2,0,0]=3 1674 B5R1.2 IC1CNC1 MCULE-5957681014 [0,0,0,1,0,0|2,0,0]=3 1675 B5R1.2 IC1CNC1 MCULE-7396587981 [0,0,0,1,0,0|2,0,0]=3 1676 B5R1.2 IC1COC1 MCULE-6736781201 [0,0,0,1,0,0|2,0,0]=3 1677 B5R1.2 NC1CCC1 MCULE-7511834789 [0,0,0,1,0,0|2,0,0]=3 1678 B5R1.2 NC1CCC1 MCULE-9118406840 [0,0,0,1,0,0|2,0,0]=3 1679 B5R1.2 NC1CNC1 MCULE-3069271350 [0,0,0,1,0,0|2,0,0]=3 1680 B5R1.2 NC1CNC1 MCULE-4785323807 [0,0,0,1,0,0|2,0,0]=3 1681 B5R1.2 NC1COC1 MCULE-3457998413 [0,0,0,1,0,0|2,0,0]=3 1682 B5R1.2 NC1COC1 MCULE-8439862131 [0,0,0,1,0,0|2,0,0]=3 1683 B5R1.2 NC1CSC1 MCULE-8155396913 [0,0,0,1,0,0|2,0,0]=3 1684 B5R1.2 NC1CSC1 MCULE-8463545676 [0,0,0,1,0,0|2,0,0]=3 1685 B5R1.2 NC1CSC1 MCULE-8920812656 [0,0,0,1,0,0|2,0,0]=3 1686 B5R1.2 NN1CCC1 MCULE-8176731673 [0,0,0,1,0,0|3,0,0]=4 1687 B5R1.2 NN1CCC1 MCULE-8382619719 [0,0,0,1,0,0|3,0,0]=4 1688 B5R1.2 O=C1CCC1 MCULE-4870967355 [0,0,0,1,0,0|1,0,2]=4 1689 B5R1.2 O=C1CCO1 MCULE-1277069147 [0,0,0,1,0,0|2,0,1]=4 1690 B5R1.2 O=C1CNC1 MCULE-5171659870 [0,0,0,1,0,0|1,0,2]=4 1691 B5R1.2 O=C1CNC1 MCULE-8293494956 [0,0,0,1,0,0|1,0,2]=4 1692 B5R1.2 O=C1COC1 MCULE-6847248632 [0,0,0,1,0,0|1,0,2]=4 1693 B5R1.2 O=C1CSC1 MCULE-4436071261 [0,0,0,1,0,0|1,0,2]=4 1694 B5R1.2 OC1CCC1 MCULE-2856311430 [0,0,0,1,0,0|1,0,0]=2 1695 B5R1.2 OC1CNC1 MCULE-3596383447 [0,0,0,1,0,0|1,0,0]=2 1696 B5R1.2 OC1CNC1 MCULE-7913518128 [0,0,0,1,0,0|1,0,0]=2 1697 B5R1.2 OC1COC1 MCULE-2630355859 [0,0,0,1,0,0|1,0,0]=2 1698 B5R1.2 OC1CSC1 MCULE-6759275460 [0,0,0,1,0,0|1,0,0]=2 1699 B5R1.2 SC1CCC1 MCULE-1779239394 [0,0,0,1,0,0|1,1,0]=3 1700 B5R1.2 SC1CNC1 MCULE-5823473779 [0,0,0,1,0,0|1,1,0]=3 1701 B5R1.2 SC1CNC1 MCULE-9002536698 [0,0,0,1,0,0|1,1,0]=3 1702 B5R1.2 SC1COC1 MCULE-2175099379 [0,0,0,1,0,0|1,1,0]=3 1703 B5R1.3 BrCC1CC1 MCULE-6057571576 [0,0,0,1,0,0|1,0,0]=2 1704 B5R1.3 BrCC1CO1 MCULE-1054784183 [0,0,0,1,0,0|0,0,0]=1 1705 B5R1.3 C#CC1CC1 MCULE-8413731516 [0,0,0,1,0,0|2,0,1]=4 1706 B5R1.3 C1(CO1)CCl MCULE-2239256431 [0,0,0,1,0,0|0,1,0]=2 1707 B5R1.3 C=CC1CC1 MCULE-4323158851 [0,0,0,1,0,0|2,0,1]=4 1708 B5R1.3 C=CC1CO1 MCULE-1428696186 [0,0,0,1,0,0|1,0,1]=3 1709 B5R1.3 CCC1CO1 MCULE-4316722229 [0,0,0,1,0,0|1,0,0]=2 1710 B5R1.3 CCC1CO1 MCULE-8341828978 [0,0,0,1,0,0|1,0,0]=2 1711 B5R1.3 CC[C@@H]1CO1 MCULE-4349820919 [0,0,0,1,0,0|1,0,0]=2 1712 B5R1.3 CC[C@@H]1CO1 MCULE-5929218989 [0,0,0,1,0,0|1,0,0]=2 1713 B5R1.3 CC[C@H]1CO1 MCULE-3647278168 [0,0,0,1,0,0|1,0,0]=2 1714 B5R1.3 CC[C@H]1CO1 MCULE-4369524443 [0,0,0,1,0,0|1,0,0]=2 1715 B5R1.3 CNC1CC1 MCULE-4055097650 [0,0,0,1,0,0|3,0,0]=4 1716 B5R1.3 CNC1CC1 MCULE-8040280524 [0,0,0,1,0,0|3,0,0]=4 1717 B5R1.3 ClCC1CC1 MCULE-3906493674 [0,0,0,1,0,0|1,1,0]=3 1718 B5R1.3 ClCC1CO1 MCULE-9759519789 [0,0,0,1,0,0|0,1,0]=2 1719 B5R1.3 ClCC1CS1 MCULE-7368175691 [0,0,0,1,0,0|0,2,0]=3 1720 B5R1.3 ClC[C@@H]1CO1 MCULE-8144448889 [0,0,0,1,0,0|0,1,0]=2 1721 B5R1.3 ClC[C@@H]1CO1 MCULE-8710235870 [0,0,0,1,0,0|0,1,0]=2 1722 B5R1.3 ClC[C@H]1CO1 MCULE-2316124162 [0,0,0,1,0,0|0,1,0]=2 1723 B5R1.3 ClC[C@H]1CO1 MCULE-6957304600 [0,0,0,1,0,0|0,1,0]=2 1724 B5R1.3 FCC1CO1 MCULE-6156138745 [0,0,0,1,0,0|0,1,0]=2 1725 B5R1.3 FC[C@@H]1CO1 MCULE-7477932707 [0,0,0,1,0,0|0,1,0]=2 1726 B5R1.3 FNC1CC1 MCULE-4155496114 [0,0,0,1,0,0|2,1,0]=4 1727 B5R1.3 ICC1CC1 MCULE-2390979991 [0,0,0,1,0,0|1,1,0]=3 1728 B5R1.3 ICC1CO1 MCULE-6993621560 [0,0,0,1,0,0|0,1,0]=2 1729 B5R1.3 N#CC1CC1 MCULE-1838359731 [0,0,0,1,0,0|2,0,1]=4 1730 B5R1.3 NCC1CC1 MCULE-5832294538 [0,0,0,1,0,0|2,0,0]=3 1731 B5R1.3 NCC1CC1 MCULE-9914994928 [0,0,0,1,0,0|2,0,0]=3 1732 B5R1.3 NNC1CC1 MCULE-3522729516 [0,0,0,1,0,0|3,0,0]=4 1733 B5R1.3 NNC1CC1 MCULE-7121199703 [0,0,0,1,0,0|3,0,0]=4 1734 B5R1.3 NNC1CC1 MCULE-8598538666 [0,0,0,1,0,0|3,0,0]=4 1735 B5R1.3 NOC1CC1 MCULE-5379816123 [0,0,0,1,0,0|3,0,0]=4 1736 B5R1.3 O=CC1CC1 MCULE-9773190262 [0,0,0,1,0,0|2,0,1]=4 1737 B5R1.3 OCC1CC1 MCULE-4492474357 [0,0,0,1,0,0|2,0,0]=3 1738 B5R1.3 OCC1CO1 MCULE-2158628585 [0,0,0,1,0,0|1,0,0]=2 1739 B5R1.3 OCC1CO1 MCULE-4063620133 [0,0,0,1,0,0|1,0,0]=2 1740 B5R1.3 OC[C@@H]1CO1 MCULE-4213198809 [0,0,0,1,0,0|1,0,0]=2 1741 B5R1.3 OC[C@@H]1CO1 MCULE-6922911793 [0,0,0,1,0,0|1,0,0]=2 1742 B5R1.3 OC[C@H]1CO1 MCULE-2018407404 [0,0,0,1,0,0|1,0,0]=2 1743 B5R1.3 OC[C@H]1CO1 MCULE-9773081927 [0,0,0,1,0,0|1,0,0]=2 1744 B5R1.3 SCC1CC1 MCULE-9557919804 [0,0,0,1,0,0|2,0,0]=3 1745 B5R1.3 [C@@H]1(CO1)C=C MCULE-9776744095 [0,0,0,1,0,0|1,0,1]=3 1746 B5R1.3 [C@H]1(CO1)C=C MCULE-7934901088 [0,0,0,1,0,0|1,0,1]=3 1747 B5R1.4 CC1CC1N MCULE-4472318973 [0,0,0,1,0,0|2,0,0]=3 1748 B5R1.4 CC1CC1N MCULE-8037315228 [0,0,0,1,0,0|2,0,0]=3 1749 B5R1.4 CC1CC1O MCULE-2006758475 [0,0,0,1,0,0|1,0,0]=2 1750 B5R1.4 CC1OC1C MCULE-9780363671 [0,0,0,1,0,0|1,0,0]=2 1751 B5R1.4 C[C@@H]1C[C@@H]1N MCULE-6282896395 [0,0,0,1,0,0|2,0,0]=3 1752 B5R1.4 C[C@@H]1C[C@H]1N MCULE-1526017761 [0,0,0,1,0,0|2,0,0]=3 1753 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7111745511 [0,0,0,1,0,0|2,0,0]=3 1754 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7879046644 [0,0,0,1,0,0|2,0,0]=3 1755 B5R1.4 C[C@@H]1C[C@H]1N MCULE-9805986423 [0,0,0,1,0,0|2,0,0]=3 1756 B5R1.4 C[C@@H]1O[C@@H]1C MCULE-4355544092 [0,0,0,1,0,0|1,0,0]=2 1757 B5R1.4 C[C@@H]1O[C@H]1C MCULE-1930253682 [0,0,0,1,0,0|1,0,0]=2 1758 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9525222696 [0,0,0,1,0,0|2,0,0]=3 1759 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9658987958 [0,0,0,1,0,0|2,0,0]=3 1760 B5R1.4 C[C@H]1C[C@H]1N MCULE-4953477750 [0,0,0,1,0,0|2,0,0]=3 1761 B5R1.4 C[C@H]1C[C@H]1N MCULE-6429810931 [0,0,0,1,0,0|2,0,0]=3 1762 B5R1.4 C[C@H]1O[C@@H]1C MCULE-4354089942 [0,0,0,1,0,0|1,0,0]=2 1763 B5R1.4 C[C@H]1O[C@@H]1C MCULE-7982793342 [0,0,0,1,0,0|1,0,0]=2 1764 B5R1.4 FC1CC1Br MCULE-9881614971 [0,0,0,1,0,0|1,0,0]=2 1765 B5R1.4 NC1CC1F MCULE-8246845073 [0,0,0,1,0,0|1,1,0]=3 1766 B5R1.4 NC1CC1F MCULE-9705431616 [0,0,0,1,0,0|1,1,0]=3 1767 B5R1.4 NC1CC1N MCULE-2596247889 [0,0,0,1,0,0|2,0,0]=3 1768 B5R1.4 NC1CC1N MCULE-7859500244 [0,0,0,1,0,0|2,0,0]=3 1769 B5R1.4 NC1CC1O MCULE-2677451452 [0,0,0,1,0,0|1,0,0]=2 1770 B5R1.4 NC1CC1O MCULE-2909581707 [0,0,0,1,0,0|1,0,0]=2 1771 B5R1.4 NC1C[C@@H]1F MCULE-6104198419 [0,0,0,1,0,0|1,1,0]=3 1772 B5R1.4 NC1C[C@@H]1F MCULE-8327037761 [0,0,0,1,0,0|1,1,0]=3 1773 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1523759808 [0,0,0,1,0,0|1,1,0]=3 1774 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1966857090 [0,0,0,1,0,0|1,1,0]=3 1775 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-3541599795 [0,0,0,1,0,0|1,1,0]=3 1776 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-8279324103 [0,0,0,1,0,0|1,1,0]=3 1777 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [0,0,0,1,0,0|1,0,0]=2 1778 B5R1.4 N[C@@H]1C[C@H]1F MCULE-1379839035 [0,0,0,1,0,0|1,1,0]=3 1779 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7084330140 [0,0,0,1,0,0|1,1,0]=3 1780 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7552076798 [0,0,0,1,0,0|1,1,0]=3 1781 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7897288338 [0,0,0,1,0,0|1,1,0]=3 1782 B5R1.4 N[C@@H]1C[C@H]1N MCULE-3447984641 [0,0,0,1,0,0|2,0,0]=3 1783 B5R1.4 N[C@@H]1C[C@H]1N MCULE-6823903337 [0,0,0,1,0,0|2,0,0]=3 1784 B5R1.4 N[C@@H]1C[C@H]1N MCULE-7464483331 [0,0,0,1,0,0|2,0,0]=3 1785 B5R1.4 N[C@@H]1C[C@H]1N MCULE-8962336863 [0,0,0,1,0,0|2,0,0]=3 1786 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [0,0,0,1,0,0|1,0,0]=2 1787 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [0,0,0,1,0,0|1,0,0]=2 1788 B5R1.4 N[C@H]1C[C@@H]1F MCULE-2098980306 [0,0,0,1,0,0|1,1,0]=3 1789 B5R1.4 N[C@H]1C[C@@H]1F MCULE-4142129455 [0,0,0,1,0,0|1,1,0]=3 1790 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8616633135 [0,0,0,1,0,0|1,1,0]=3 1791 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8788279695 [0,0,0,1,0,0|1,1,0]=3 1792 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3374448650 [0,0,0,1,0,0|2,0,0]=3 1793 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3782038729 [0,0,0,1,0,0|2,0,0]=3 1794 B5R1.4 N[C@H]1C[C@@H]1N MCULE-7583094160 [0,0,0,1,0,0|2,0,0]=3 1795 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [0,0,0,1,0,0|1,0,0]=2 1796 B5R1.4 N[C@H]1C[C@H]1F MCULE-1665232627 [0,0,0,1,0,0|1,1,0]=3 1797 B5R1.4 N[C@H]1C[C@H]1F MCULE-1941678287 [0,0,0,1,0,0|1,1,0]=3 1798 B5R1.4 N[C@H]1C[C@H]1F MCULE-3275343851 [0,0,0,1,0,0|1,1,0]=3 1799 B5R1.4 N[C@H]1C[C@H]1F MCULE-5308534229 [0,0,0,1,0,0|1,1,0]=3 1800 B5R1.4 N[C@H]1C[C@H]1N MCULE-1426528738 [0,0,0,1,0,0|2,0,0]=3 1801 B5R1.4 N[C@H]1C[C@H]1N MCULE-6003446819 [0,0,0,1,0,0|2,0,0]=3 1802 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [0,0,0,1,0,0|1,0,0]=2 1803 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [0,0,0,1,0,0|1,0,0]=2 1804 B5R1.4 [C@@H]1(C[C@H]1N)F MCULE-5118118569 [0,0,0,1,0,0|1,1,0]=3 1805 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-1071128348 [0,0,0,1,0,0|1,1,0]=3 1806 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-8956631145 [0,0,0,1,0,0|1,1,0]=3 1807 B5R1.5 CC1(CC1)Br MCULE-7741990197 [0,0,0,1,0,0|2,0,0]=3 1808 B5R1.5 CC1(CC1)N MCULE-5669720871 [0,0,0,1,0,0|2,0,0]=3 1809 B5R1.5 CC1(CC1)N MCULE-6964629714 [0,0,0,1,0,0|2,0,0]=3 1810 B5R1.5 CC1(CC1)O MCULE-8472680145 [0,0,0,1,0,0|1,0,0]=2 1811 B5R1.5 CC1(CN1)C MCULE-8452595493 [0,0,0,1,0,0|2,0,0]=3 1812 B5R1.5 CC1(CO1)C MCULE-4247049920 [0,0,0,1,0,0|2,0,0]=3 1813 B5R1.5 CC1(CS1)C MCULE-7579931452 [0,0,0,1,0,0|2,0,0]=3 1814 B5R1.5 ClC1(CC1)Cl MCULE-1245940379 [0,0,0,1,0,0|3,0,0]=4 1815 B5R1.5 NC1(CC1)O MCULE-6134507215 [0,0,0,1,0,0|2,0,0]=3 1816 B5R1.5 NC1(CC1)O MCULE-9233065159 [0,0,0,1,0,0|2,0,0]=3 1817 B2R0.1 BrCBr MCULE-5148445055 [2,0,0,0,0,0|1,0,0]=3 1818 B2R0.1 BrCI MCULE-5427209261 [2,0,0,0,0,0|1,0,0]=3 1819 B2R0.1 C#CC MCULE-8346460782 [2,0,0,0,0,0|0,0,2]=4 1820 B2R0.1 C=CBr MCULE-1481946455 [2,0,0,0,0,0|0,0,2]=4 1821 B2R0.1 C=CC MCULE-5223715076 [2,0,0,0,0,0|0,0,2]=4 1822 B2R0.1 C=CO MCULE-8167566239 [2,0,0,0,0,0|0,0,2]=4 1823 B2R0.1 C=NO MCULE-1312312591 [2,0,0,0,0,0|1,0,1]=4 1824 B2R0.1 C=NO MCULE-7599902650 [2,0,0,0,0,0|1,0,1]=4 1825 B2R0.1 CC#N MCULE-8803543318 [2,0,0,0,0,0|1,0,1]=4 1826 B2R0.1 CC=O MCULE-6002254510 [2,0,0,0,0,0|0,0,2]=4 1827 B2R0.1 CC=O MCULE-6800925955 [2,0,0,0,0,0|0,0,2]=4 1828 B2R0.1 CCBr MCULE-9840669634 [2,0,0,0,0,0|0,0,0]=2 1829 B2R0.1 CCC MCULE-7179517367 [2,0,0,0,0,0|0,0,0]=2 1830 B2R0.1 CCCl MCULE-8087909182 [2,0,0,0,0,0|0,1,0]=3 1831 B2R0.1 CCI MCULE-9405436513 [2,0,0,0,0,0|0,1,0]=3 1832 B2R0.1 CCN MCULE-1774065508 [2,0,0,0,0,0|1,0,0]=3 1833 B2R0.1 CCN MCULE-5999638632 [2,0,0,0,0,0|1,0,0]=3 1834 B2R0.1 CCN MCULE-6233823811 [2,0,0,0,0,0|1,0,0]=3 1835 B2R0.1 CCN MCULE-6444557204 [2,0,0,0,0,0|1,0,0]=3 1836 B2R0.1 CCO MCULE-8818474596 [2,0,0,0,0,0|0,0,0]=2 1837 B2R0.1 CCS MCULE-5717309901 [2,0,0,0,0,0|0,1,0]=3 1838 B2R0.1 CNC MCULE-2809467532 [2,0,0,0,0,0|1,0,0]=3 1839 B2R0.1 CNN MCULE-6163742401 [2,0,0,0,0,0|2,0,0]=4 1840 B2R0.1 CNN MCULE-7217348217 [2,0,0,0,0,0|2,0,0]=4 1841 B2R0.1 CNN MCULE-9086529736 [2,0,0,0,0,0|2,0,0]=4 1842 B2R0.1 CNO MCULE-5310203084 [2,0,0,0,0,0|1,0,0]=3 1843 B2R0.1 CNO MCULE-7072005453 [2,0,0,0,0,0|1,0,0]=3 1844 B2R0.1 COC MCULE-4385003255 [2,0,0,0,0,0|1,0,0]=3 1845 B2R0.1 CON MCULE-1068458971 [2,0,0,0,0,0|2,0,0]=4 1846 B2R0.1 CON MCULE-8687558307 [2,0,0,0,0,0|2,0,0]=4 1847 B2R0.1 CO[NH3+] MCULE-6631452734 [2,0,0,0,0,0|2,0,0]=4 1848 B2R0.1 CO[NH3+] MCULE-9975010969 [2,0,0,0,0,0|2,0,0]=4 1849 B2R0.1 CSC MCULE-4525381422 [2,0,0,0,0,0|1,0,0]=3 1850 B2R0.1 C[Se]C MCULE-5369504805 [2,0,0,0,0,0|1,0,0]=3 1851 B2R0.1 ClCBr MCULE-5030719866 [2,0,0,0,0,0|1,0,0]=3 1852 B2R0.1 ClCCl MCULE-1114735075 [2,0,0,0,0,0|1,1,0]=4 1853 B2R0.1 ClCI MCULE-1762372626 [2,0,0,0,0,0|1,1,0]=4 1854 B2R0.1 FCF MCULE-9775386185 [2,0,0,0,0,0|1,1,0]=4 1855 B2R0.1 FCI MCULE-4283244074 [2,0,0,0,0,0|1,1,0]=4 1856 B2R0.1 ICI MCULE-8023612181 [2,0,0,0,0,0|1,1,0]=4 1857 B2R0.1 N#CBr MCULE-3513077125 [2,0,0,0,0,0|1,0,1]=4 1858 B2R0.1 N#CO MCULE-7459250889 [2,0,0,0,0,0|1,0,1]=4 1859 B2R0.1 NCN MCULE-1911584441 [2,0,0,0,0,0|2,0,0]=4 1860 B2R0.1 NCN MCULE-5032116024 [2,0,0,0,0,0|2,0,0]=4 1861 B2R0.1 O=BO MCULE-1752281859 [2,0,0,0,0,0|2,0,0]=4 1862 B2R0.1 O=CO MCULE-7175589186 [2,0,0,0,0,0|1,0,1]=4 1863 B2R0.1 O=NO MCULE-6927518919 [2,0,0,0,0,0|2,0,0]=4 1864 B2R0.1 O=PO MCULE-5287418544 [2,0,0,0,0,0|2,0,0]=4 1865 B2R0.1 OBO MCULE-8455181481 [2,0,0,0,0,0|2,0,0]=4 1866 B2R0.1 OPO MCULE-1346196691 [2,0,0,0,0,0|2,0,0]=4 1867 B2R0.1 OPO MCULE-5673098193 [2,0,0,0,0,0|2,0,0]=4 1868 B2R0.1 [O-]PO MCULE-2811495269 [2,0,0,0,0,0|2,0,0]=4 1869 B2R0.1 [O-]PO MCULE-6918966731 [2,0,0,0,0,0|2,0,0]=4 1870 B4R0.2 BrC#CCBr MCULE-2798351684 [1,1,0,0,0,0|0,0,2]=4 1871 B4R0.2 BrC=CCBr MCULE-1480697982 [1,1,0,0,0,0|0,0,2]=4 1872 B4R0.2 BrCCCBr MCULE-6500110480 [1,1,0,0,0,0|0,0,0]=2 1873 B4R0.2 BrCCCI MCULE-6470610840 [1,1,0,0,0,0|0,0,0]=2 1874 B4R0.2 BrCOCBr MCULE-2371209322 [1,1,0,0,0,0|1,0,0]=3 1875 B4R0.2 C#CCCBr MCULE-1495603480 [1,1,0,0,0,0|0,0,1]=3 1876 B4R0.2 C#CCCC MCULE-1233806896 [1,1,0,0,0,0|1,0,0]=3 1877 B4R0.2 C#CCCCl MCULE-5602517887 [1,1,0,0,0,0|0,1,1]=4 1878 B4R0.2 C#CCCI MCULE-2832310719 [1,1,0,0,0,0|0,1,1]=4 1879 B4R0.2 C#CCCN MCULE-1223656854 [1,1,0,0,0,0|1,0,1]=4 1880 B4R0.2 C#CCCN MCULE-6408469965 [1,1,0,0,0,0|1,0,1]=4 1881 B4R0.2 C#CCCO MCULE-1797559276 [1,1,0,0,0,0|1,0,0]=3 1882 B4R0.2 C#CCCO MCULE-8743964065 [1,1,0,0,0,0|1,0,0]=3 1883 B4R0.2 C#CCNC MCULE-9758975590 [1,1,0,0,0,0|1,0,1]=4 1884 B4R0.2 C#CCNO MCULE-7210831528 [1,1,0,0,0,0|1,0,1]=4 1885 B4R0.2 C#CCNO MCULE-8082854360 [1,1,0,0,0,0|1,0,1]=4 1886 B4R0.2 C#CCOC MCULE-9172422462 [1,1,0,0,0,0|1,0,1]=4 1887 B4R0.2 C#CCON MCULE-1220634713 [1,1,0,0,0,0|1,0,1]=4 1888 B4R0.2 C#CCON MCULE-5781631200 [1,1,0,0,0,0|1,0,1]=4 1889 B4R0.2 C#CCSC MCULE-6808040899 [1,1,0,0,0,0|1,0,1]=4 1890 B4R0.2 C#COCC MCULE-1522528824 [1,1,0,0,0,0|1,0,1]=4 1891 B4R0.2 C/C=C/CCl MCULE-9977493525 [1,1,0,0,0,0|0,1,1]=4 1892 B4R0.2 C/C=C/CO MCULE-2383161163 [1,1,0,0,0,0|1,0,1]=4 1893 B4R0.2 C/C=C\CO MCULE-5924662327 [1,1,0,0,0,0|1,0,1]=4 1894 B4R0.2 C=C=CCC MCULE-6123315571 [1,1,0,0,0,0|1,0,1]=4 1895 B4R0.2 C=C=CCO MCULE-5424851896 [1,1,0,0,0,0|1,0,1]=4 1896 B4R0.2 C=CCCBr MCULE-2890129103 [1,1,0,0,0,0|0,0,1]=3 1897 B4R0.2 C=CCCC MCULE-8386546337 [1,1,0,0,0,0|1,0,0]=3 1898 B4R0.2 C=CCCCl MCULE-5903789900 [1,1,0,0,0,0|0,1,1]=4 1899 B4R0.2 C=CCCI MCULE-1055671394 [1,1,0,0,0,0|0,1,1]=4 1900 B4R0.2 C=CCCN MCULE-2471716627 [1,1,0,0,0,0|1,0,1]=4 1901 B4R0.2 C=CCCN MCULE-2881108697 [1,1,0,0,0,0|1,0,1]=4 1902 B4R0.2 C=CCCO MCULE-4582400839 [1,1,0,0,0,0|1,0,0]=3 1903 B4R0.2 C=CCNC MCULE-3335720336 [1,1,0,0,0,0|1,0,1]=4 1904 B4R0.2 C=CCOC MCULE-3321225771 [1,1,0,0,0,0|1,0,1]=4 1905 B4R0.2 C=CCON MCULE-2094787759 [1,1,0,0,0,0|1,0,1]=4 1906 B4R0.2 C=CCON MCULE-6222602533 [1,1,0,0,0,0|1,0,1]=4 1907 B4R0.2 C=CCSC MCULE-4452023915 [1,1,0,0,0,0|1,0,1]=4 1908 B4R0.2 C=COCC MCULE-2569047033 [1,1,0,0,0,0|1,0,1]=4 1909 B4R0.2 C=CSCC MCULE-8927374165 [1,1,0,0,0,0|1,0,1]=4 1910 B4R0.2 CC#CCBr MCULE-3596191560 [1,1,0,0,0,0|0,0,1]=3 1911 B4R0.2 CC#CCC MCULE-8848779220 [1,1,0,0,0,0|1,0,1]=4 1912 B4R0.2 CC#CCI MCULE-3596701582 [1,1,0,0,0,0|0,1,1]=4 1913 B4R0.2 CC#CCN MCULE-7027146471 [1,1,0,0,0,0|1,0,1]=4 1914 B4R0.2 CC#CCN MCULE-9570644542 [1,1,0,0,0,0|1,0,1]=4 1915 B4R0.2 CC#CCO MCULE-5096552076 [1,1,0,0,0,0|1,0,1]=4 1916 B4R0.2 CC=CCBr MCULE-7855581866 [1,1,0,0,0,0|0,0,1]=3 1917 B4R0.2 CC=CCC MCULE-5931905453 [1,1,0,0,0,0|1,0,1]=4 1918 B4R0.2 CC=CCCl MCULE-3941962217 [1,1,0,0,0,0|0,1,1]=4 1919 B4R0.2 CC=CCO MCULE-7490725844 [1,1,0,0,0,0|1,0,1]=4 1920 B4R0.2 CCC#CI MCULE-6466997582 [1,1,0,0,0,0|0,1,1]=4 1921 B4R0.2 CCC=CBr MCULE-4471551501 [1,1,0,0,0,0|0,0,1]=3 1922 B4R0.2 CCC=NO MCULE-9457280654 [1,1,0,0,0,0|1,0,1]=4 1923 B4R0.2 CCCC#N MCULE-8571076087 [1,1,0,0,0,0|1,0,0]=3 1924 B4R0.2 CCCC=O MCULE-8530391347 [1,1,0,0,0,0|1,0,0]=3 1925 B4R0.2 CCCCBr MCULE-3390217131 [1,1,0,0,0,0|0,0,0]=2 1926 B4R0.2 CCCCC MCULE-4643148765 [1,1,0,0,0,0|1,0,0]=3 1927 B4R0.2 CCCCCl MCULE-5329900290 [1,1,0,0,0,0|0,1,0]=3 1928 B4R0.2 CCCCF MCULE-7225760858 [1,1,0,0,0,0|0,1,0]=3 1929 B4R0.2 CCCCI MCULE-1160974720 [1,1,0,0,0,0|0,1,0]=3 1930 B4R0.2 CCCCN MCULE-1731874934 [1,1,0,0,0,0|1,0,0]=3 1931 B4R0.2 CCCCN MCULE-4233278050 [1,1,0,0,0,0|1,0,0]=3 1932 B4R0.2 CCCCN MCULE-5242069370 [1,1,0,0,0,0|1,0,0]=3 1933 B4R0.2 CCCCN MCULE-7343835253 [1,1,0,0,0,0|1,0,0]=3 1934 B4R0.2 CCCCO MCULE-1571156443 [1,1,0,0,0,0|1,0,0]=3 1935 B4R0.2 CCCCS MCULE-9441213933 [1,1,0,0,0,0|1,0,0]=3 1936 B4R0.2 CCCNC MCULE-2266616259 [1,1,0,0,0,0|1,0,0]=3 1937 B4R0.2 CCCNC MCULE-7722796872 [1,1,0,0,0,0|1,0,0]=3 1938 B4R0.2 CCCNN MCULE-4121438775 [1,1,0,0,0,0|1,0,0]=3 1939 B4R0.2 CCCNN MCULE-5875592228 [1,1,0,0,0,0|1,0,0]=3 1940 B4R0.2 CCCNN MCULE-9585694661 [1,1,0,0,0,0|1,0,0]=3 1941 B4R0.2 CCCOC MCULE-5854067718 [1,1,0,0,0,0|1,0,0]=3 1942 B4R0.2 CCCON MCULE-4800172637 [1,1,0,0,0,0|1,0,0]=3 1943 B4R0.2 CCCON MCULE-7988781002 [1,1,0,0,0,0|1,0,0]=3 1944 B4R0.2 CCCSC MCULE-8387041737 [1,1,0,0,0,0|1,0,0]=3 1945 B4R0.2 CCN=C=O MCULE-6522145601 [1,1,0,0,0,0|1,0,1]=4 1946 B4R0.2 CCN=C=S MCULE-9838756606 [1,1,0,0,0,0|1,0,1]=4 1947 B4R0.2 CCNC=O MCULE-9309926274 [1,1,0,0,0,0|1,0,1]=4 1948 B4R0.2 CCNCC MCULE-3395060353 [1,1,0,0,0,0|1,0,0]=3 1949 B4R0.2 CCNCC MCULE-4374609736 [1,1,0,0,0,0|1,0,0]=3 1950 B4R0.2 CCNCC MCULE-4555901025 [1,1,0,0,0,0|1,0,0]=3 1951 B4R0.2 CCNCC MCULE-6895602113 [1,1,0,0,0,0|1,0,0]=3 1952 B4R0.2 CCNOC MCULE-4797714235 [1,1,0,0,0,0|2,0,0]=4 1953 B4R0.2 CCNOC MCULE-6486167423 [1,1,0,0,0,0|2,0,0]=4 1954 B4R0.2 CCOC=N MCULE-5321655909 [1,1,0,0,0,0|1,0,1]=4 1955 B4R0.2 CCOC=N MCULE-8158357614 [1,1,0,0,0,0|1,0,1]=4 1956 B4R0.2 CCOC=O MCULE-6245072161 [1,1,0,0,0,0|1,0,1]=4 1957 B4R0.2 CCOCBr MCULE-6644755987 [1,1,0,0,0,0|0,0,0]=2 1958 B4R0.2 CCOCC MCULE-5665709021 [1,1,0,0,0,0|1,0,0]=3 1959 B4R0.2 CCOCCl MCULE-5087992840 [1,1,0,0,0,0|0,1,0]=3 1960 B4R0.2 CCONC MCULE-5446312516 [1,1,0,0,0,0|2,0,0]=4 1961 B4R0.2 CCONC MCULE-7976027802 [1,1,0,0,0,0|2,0,0]=4 1962 B4R0.2 CCSC#N MCULE-1270730084 [1,1,0,0,0,0|1,0,1]=4 1963 B4R0.2 CCSCC MCULE-6480710239 [1,1,0,0,0,0|1,0,0]=3 1964 B4R0.2 CCSCCl MCULE-3890542152 [1,1,0,0,0,0|0,1,0]=3 1965 B4R0.2 CCSSC MCULE-9430585714 [1,1,0,0,0,0|2,0,0]=4 1966 B4R0.2 CC[NH2+]CC MCULE-9899430356 [1,1,0,0,0,0|1,0,0]=3 1967 B4R0.2 CNCC#N MCULE-1233170363 [1,1,0,0,0,0|1,0,1]=4 1968 B4R0.2 CNCC#N MCULE-4334159739 [1,1,0,0,0,0|1,0,1]=4 1969 B4R0.2 CNCC#N MCULE-8267124503 [1,1,0,0,0,0|1,0,1]=4 1970 B4R0.2 CNCCBr MCULE-3708780806 [1,1,0,0,0,0|0,0,0]=2 1971 B4R0.2 CNCCBr MCULE-6840755559 [1,1,0,0,0,0|0,0,0]=2 1972 B4R0.2 CNCCCl MCULE-1666345560 [1,1,0,0,0,0|0,1,0]=3 1973 B4R0.2 CNCCCl MCULE-8215813413 [1,1,0,0,0,0|0,1,0]=3 1974 B4R0.2 CNCCF MCULE-3719880423 [1,1,0,0,0,0|0,1,0]=3 1975 B4R0.2 CNCCF MCULE-3751701745 [1,1,0,0,0,0|0,1,0]=3 1976 B4R0.2 CNCCI MCULE-7026781832 [1,1,0,0,0,0|0,1,0]=3 1977 B4R0.2 CNCCI MCULE-8892686580 [1,1,0,0,0,0|0,1,0]=3 1978 B4R0.2 CNCCN MCULE-2881688448 [1,1,0,0,0,0|1,0,0]=3 1979 B4R0.2 CNCCN MCULE-7199403269 [1,1,0,0,0,0|1,0,0]=3 1980 B4R0.2 CNCCO MCULE-7051900771 [1,1,0,0,0,0|1,0,0]=3 1981 B4R0.2 CNCCO MCULE-7934732981 [1,1,0,0,0,0|1,0,0]=3 1982 B4R0.2 CNCCS MCULE-6430516369 [1,1,0,0,0,0|1,0,0]=3 1983 B4R0.2 COCC#N MCULE-9178522865 [1,1,0,0,0,0|1,0,1]=4 1984 B4R0.2 COCC=O MCULE-9427361019 [1,1,0,0,0,0|1,0,1]=4 1985 B4R0.2 COCCBr MCULE-8316331262 [1,1,0,0,0,0|0,0,0]=2 1986 B4R0.2 COCCCl MCULE-8886627413 [1,1,0,0,0,0|0,1,0]=3 1987 B4R0.2 COCCI MCULE-9391124374 [1,1,0,0,0,0|0,1,0]=3 1988 B4R0.2 COCCN MCULE-5051556646 [1,1,0,0,0,0|1,0,0]=3 1989 B4R0.2 COCCN MCULE-7519068386 [1,1,0,0,0,0|1,0,0]=3 1990 B4R0.2 COCCO MCULE-4751927883 [1,1,0,0,0,0|1,0,0]=3 1991 B4R0.2 COCCS MCULE-7803276094 [1,1,0,0,0,0|1,0,0]=3 1992 B4R0.2 COCOC MCULE-8559076702 [1,1,0,0,0,0|2,0,0]=4 1993 B4R0.2 COCON MCULE-6032854331 [1,1,0,0,0,0|2,0,0]=4 1994 B4R0.2 CSCC#N MCULE-3607261611 [1,1,0,0,0,0|1,0,1]=4 1995 B4R0.2 CSCCBr MCULE-1684461541 [1,1,0,0,0,0|0,0,0]=2 1996 B4R0.2 CSCCCl MCULE-8593103756 [1,1,0,0,0,0|0,1,0]=3 1997 B4R0.2 CSCCN MCULE-5168245255 [1,1,0,0,0,0|1,0,0]=3 1998 B4R0.2 CSCCN MCULE-6275285732 [1,1,0,0,0,0|1,0,0]=3 1999 B4R0.2 CSCCO MCULE-9706874325 [1,1,0,0,0,0|1,0,0]=3 2000 B4R0.2 CSCSC MCULE-5603964020 [1,1,0,0,0,0|2,0,0]=4 2001 B4R0.2 ClC/C=C/Br MCULE-1061414929 [1,1,0,0,0,0|0,0,2]=4 2002 B4R0.2 ClCCCBr MCULE-7937580875 [1,1,0,0,0,0|0,0,0]=2 2003 B4R0.2 ClCCCCl MCULE-6693270397 [1,1,0,0,0,0|0,1,0]=3 2004 B4R0.2 ClCCCI MCULE-1521526833 [1,1,0,0,0,0|0,1,0]=3 2005 B4R0.2 ClCSCCl MCULE-5228778525 [1,1,0,0,0,0|1,1,0]=4 2006 B4R0.2 FCCCBr MCULE-5674735753 [1,1,0,0,0,0|0,0,0]=2 2007 B4R0.2 FCCCF MCULE-1803511350 [1,1,0,0,0,0|0,1,0]=3 2008 B4R0.2 FCCCI MCULE-9287814857 [1,1,0,0,0,0|0,1,0]=3 2009 B4R0.2 ICCCI MCULE-9849754168 [1,1,0,0,0,0|0,1,0]=3 2010 B4R0.2 ICOCI MCULE-4901830231 [1,1,0,0,0,0|1,1,0]=4 2011 B4R0.2 N#CCCBr MCULE-1744180602 [1,1,0,0,0,0|0,0,1]=3 2012 B4R0.2 N#CCCCl MCULE-3511379481 [1,1,0,0,0,0|0,1,1]=4 2013 B4R0.2 N#CCCI MCULE-1591942951 [1,1,0,0,0,0|0,1,1]=4 2014 B4R0.2 N#CCCN MCULE-8482296338 [1,1,0,0,0,0|1,0,1]=4 2015 B4R0.2 N#CCCN MCULE-9518086954 [1,1,0,0,0,0|1,0,1]=4 2016 B4R0.2 N#CCCO MCULE-5098987368 [1,1,0,0,0,0|1,0,0]=3 2017 B4R0.2 N#CCCS MCULE-7199964466 [1,1,0,0,0,0|1,0,1]=4 2018 B4R0.2 N#CCNO MCULE-6808474875 [1,1,0,0,0,0|1,0,1]=4 2019 B4R0.2 N#CCON MCULE-1849571406 [1,1,0,0,0,0|1,0,1]=4 2020 B4R0.2 N#CCON MCULE-2156159928 [1,1,0,0,0,0|1,0,1]=4 2021 B4R0.2 N#CSCBr MCULE-8731078262 [1,1,0,0,0,0|1,0,1]=4 2022 B4R0.2 NCCCBr MCULE-5485748003 [1,1,0,0,0,0|0,0,0]=2 2023 B4R0.2 NCCCBr MCULE-7072709972 [1,1,0,0,0,0|0,0,0]=2 2024 B4R0.2 NCCCCl MCULE-1324157004 [1,1,0,0,0,0|0,1,0]=3 2025 B4R0.2 NCCCCl MCULE-3667248190 [1,1,0,0,0,0|0,1,0]=3 2026 B4R0.2 NCCCF MCULE-5215746973 [1,1,0,0,0,0|0,1,0]=3 2027 B4R0.2 NCCCF MCULE-8077133369 [1,1,0,0,0,0|0,1,0]=3 2028 B4R0.2 NCCCI MCULE-3534892097 [1,1,0,0,0,0|0,1,0]=3 2029 B4R0.2 NCCCI MCULE-8010453546 [1,1,0,0,0,0|0,1,0]=3 2030 B4R0.2 NCCCN MCULE-4293255820 [1,1,0,0,0,0|1,0,0]=3 2031 B4R0.2 NCCCN MCULE-5041378433 [1,1,0,0,0,0|1,0,0]=3 2032 B4R0.2 NCCCN MCULE-6944452060 [1,1,0,0,0,0|1,0,0]=3 2033 B4R0.2 NCCCN MCULE-7375662153 [1,1,0,0,0,0|1,0,0]=3 2034 B4R0.2 NCCCN MCULE-8277465929 [1,1,0,0,0,0|1,0,0]=3 2035 B4R0.2 NCCCN MCULE-9929373126 [1,1,0,0,0,0|1,0,0]=3 2036 B4R0.2 NCCCO MCULE-2851278356 [1,1,0,0,0,0|1,0,0]=3 2037 B4R0.2 NCCCO MCULE-9698089092 [1,1,0,0,0,0|1,0,0]=3 2038 B4R0.2 NCCCS MCULE-3994478020 [1,1,0,0,0,0|1,0,0]=3 2039 B4R0.2 NCCCS MCULE-7730973866 [1,1,0,0,0,0|1,0,0]=3 2040 B4R0.2 NCCON MCULE-3613980902 [1,1,0,0,0,0|1,0,0]=3 2041 B4R0.2 NCCON MCULE-7030217952 [1,1,0,0,0,0|1,0,0]=3 2042 B4R0.2 NCCON MCULE-8959912781 [1,1,0,0,0,0|1,0,0]=3 2043 B4R0.2 NNCCF MCULE-2712460031 [1,1,0,0,0,0|1,1,0]=4 2044 B4R0.2 NNCCF MCULE-8505927457 [1,1,0,0,0,0|1,1,0]=4 2045 B4R0.2 NNCCO MCULE-1290652744 [1,1,0,0,0,0|1,0,0]=3 2046 B4R0.2 NOCCBr MCULE-2796346082 [1,1,0,0,0,0|0,0,0]=2 2047 B4R0.2 NOCCBr MCULE-5636354898 [1,1,0,0,0,0|0,0,0]=2 2048 B4R0.2 NOCCCl MCULE-5981688956 [1,1,0,0,0,0|0,1,0]=3 2049 B4R0.2 NOCCF MCULE-1813481600 [1,1,0,0,0,0|0,1,0]=3 2050 B4R0.2 NOCCF MCULE-2993254805 [1,1,0,0,0,0|0,1,0]=3 2051 B4R0.2 NOCCO MCULE-2545004367 [1,1,0,0,0,0|1,0,0]=3 2052 B4R0.2 O=CCCBr MCULE-4107157458 [1,1,0,0,0,0|0,0,1]=3 2053 B4R0.2 O=CCCCl MCULE-5863929313 [1,1,0,0,0,0|0,1,1]=4 2054 B4R0.2 O=CCCI MCULE-9771140462 [1,1,0,0,0,0|0,1,1]=4 2055 B4R0.2 O=CCCO MCULE-1685289763 [1,1,0,0,0,0|1,0,0]=3 2056 B4R0.2 OC=CCCl MCULE-4750991393 [1,1,0,0,0,0|0,1,1]=4 2057 B4R0.2 OCC#CBr MCULE-2495653455 [1,1,0,0,0,0|0,0,1]=3 2058 B4R0.2 OCC#CI MCULE-1101149708 [1,1,0,0,0,0|0,1,1]=4 2059 B4R0.2 OCC=CBr MCULE-4636104289 [1,1,0,0,0,0|0,0,1]=3 2060 B4R0.2 OCC=CCl MCULE-2110127594 [1,1,0,0,0,0|0,1,1]=4 2061 B4R0.2 OCCCBr MCULE-3450011527 [1,1,0,0,0,0|0,0,0]=2 2062 B4R0.2 OCCCCl MCULE-2319230957 [1,1,0,0,0,0|0,1,0]=3 2063 B4R0.2 OCCCF MCULE-2347934403 [1,1,0,0,0,0|0,1,0]=3 2064 B4R0.2 OCCCI MCULE-5200713967 [1,1,0,0,0,0|0,1,0]=3 2065 B4R0.2 OCCCO MCULE-5166824786 [1,1,0,0,0,0|1,0,0]=3 2066 B4R0.2 OCCCS MCULE-7930164048 [1,1,0,0,0,0|1,0,0]=3 2067 B4R0.2 ON=CCCl MCULE-5736695742 [1,1,0,0,0,0|0,1,1]=4 2068 B4R0.2 PCCCP MCULE-6048146071 [1,1,0,0,0,0|1,0,0]=3 2069 B4R0.2 SCCCBr MCULE-4627341228 [1,1,0,0,0,0|0,0,0]=2 2070 B4R0.2 SCCCCl MCULE-6410389127 [1,1,0,0,0,0|0,1,0]=3 2071 B4R0.2 SCCCS MCULE-8220630729 [1,1,0,0,0,0|1,0,0]=3 2072 B4R0.2 [NH2+](CC)CC MCULE-1192179232 [1,1,0,0,0,0|1,0,0]=3 2073 B4R0.2 [NH3+]OCO[NH3+] MCULE-1014646507 [1,1,0,0,0,0|2,0,0]=4 2074 B4R0.2 [NH3+]OCO[NH3+] MCULE-2130820760 [1,1,0,0,0,0|2,0,0]=4 2075 B4R0.3 BrC(Br)(Br)Br MCULE-5598367801 [1,1,0,0,0,0|2,0,0]=4 2076 B4R0.3 C=N(C)(C)Cl MCULE-3152663998 [1,1,0,0,0,0|2,0,0]=4 2077 B4R0.3 CC(C)(Br)Br MCULE-5323692926 [1,1,0,0,0,0|1,0,0]=3 2078 B4R0.3 CC(C)(C)Br MCULE-7499182970 [1,1,0,0,0,0|1,0,0]=3 2079 B4R0.3 CC(C)(C)Cl MCULE-3289240398 [1,1,0,0,0,0|1,0,0]=3 2080 B4R0.3 CC(C)(C)I MCULE-4526513944 [1,1,0,0,0,0|1,0,0]=3 2081 B4R0.3 CC(C)(C)N MCULE-6304532422 [1,1,0,0,0,0|1,0,0]=3 2082 B4R0.3 CC(C)(C)N MCULE-7949511330 [1,1,0,0,0,0|1,0,0]=3 2083 B4R0.3 CC(C)(C)O MCULE-2451492095 [1,1,0,0,0,0|0,0,0]=2 2084 B4R0.3 CC(C)(C)P MCULE-7154081259 [1,1,0,0,0,0|1,0,0]=3 2085 B4R0.3 CC(C)(C)S MCULE-6147507012 [1,1,0,0,0,0|0,1,0]=3 2086 B4R0.3 CC(C)(Cl)Cl MCULE-4748939799 [1,1,0,0,0,0|1,0,0]=3 2087 B4R0.3 CC(C)(F)F MCULE-5872625782 [1,1,0,0,0,0|1,0,0]=3 2088 B4R0.3 CC(Cl)(Cl)Cl MCULE-5353008945 [1,1,0,0,0,0|1,1,0]=4 2089 B4R0.3 CC(F)(F)Cl MCULE-2961717915 [1,1,0,0,0,0|1,1,0]=4 2090 B4R0.3 CN(=O)(C)C MCULE-5376400909 [1,1,0,0,0,0|1,0,1]=4 2091 B4R0.3 CP(=O)(C)C MCULE-2802987054 [1,1,0,0,0,0|1,0,1]=4 2092 B4R0.3 CP(=O)(C)Cl MCULE-7288561548 [1,1,0,0,0,0|1,0,1]=4 2093 B4R0.3 CP(=O)(C)O MCULE-6213882061 [1,1,0,0,0,0|1,0,0]=3 2094 B4R0.3 CP(=O)(O)O MCULE-1998702544 [1,1,0,0,0,0|2,0,0]=4 2095 B4R0.3 CP(=S)(C)Cl MCULE-3277835198 [1,1,0,0,0,0|1,1,0]=4 2096 B4R0.3 CS(=N)(=O)C MCULE-2258256823 [1,1,0,0,0,0|1,0,1]=4 2097 B4R0.3 CS(=N)(=O)C MCULE-9753633994 [1,1,0,0,0,0|1,0,1]=4 2098 B4R0.3 CS(=O)(=O)C MCULE-3320409932 [1,1,0,0,0,0|1,0,1]=4 2099 B4R0.3 CS(=O)(=O)O MCULE-3859614034 [1,1,0,0,0,0|2,0,0]=4 2100 B4R0.3 CS(=O)(=O)O MCULE-6572487779 [1,1,0,0,0,0|2,0,0]=4 2101 B4R0.3 CS(=O)(=O)O MCULE-9395657013 [1,1,0,0,0,0|2,0,0]=4 2102 B4R0.3 CS(C)(Br)Br MCULE-4451528936 [1,1,0,0,0,0|2,0,0]=4 2103 B4R0.3 C[As](=O)(C)O MCULE-8596669108 [1,1,0,0,0,0|1,0,0]=3 2104 B4R0.3 C[As](=O)(O)O MCULE-7801777602 [1,1,0,0,0,0|2,0,0]=4 2105 B4R0.3 C[Ge](C)(C)Br MCULE-5550620894 [1,1,0,0,0,0|1,1,0]=4 2106 B4R0.3 C[Ge](C)(C)C MCULE-3960669880 [1,1,0,0,0,0|1,1,0]=4 2107 B4R0.3 C[Ge](C)(C)Cl MCULE-1572821903 [1,1,0,0,0,0|1,1,0]=4 2108 B4R0.3 C[Ge](C)(Cl)Cl MCULE-9440927104 [1,1,0,0,0,0|1,1,0]=4 2109 B4R0.3 C[N+](C)(C)C MCULE-1342262392 [1,1,0,0,0,0|2,0,0]=4 2110 B4R0.3 C[N+](C)(C)C MCULE-1837366554 [1,1,0,0,0,0|2,0,0]=4 2111 B4R0.3 C[N+](C)(C)C MCULE-3114633078 [1,1,0,0,0,0|2,0,0]=4 2112 B4R0.3 C[N+](C)(C)C MCULE-8602528678 [1,1,0,0,0,0|2,0,0]=4 2113 B4R0.3 C[N+](C)(C)C MCULE-8758631770 [1,1,0,0,0,0|2,0,0]=4 2114 B4R0.3 C[N+](C)(C)C MCULE-9749836604 [1,1,0,0,0,0|2,0,0]=4 2115 B4R0.3 C[N+](C)(C)N MCULE-2241507629 [1,1,0,0,0,0|2,0,0]=4 2116 B4R0.3 C[N+](C)(C)N MCULE-8001746254 [1,1,0,0,0,0|2,0,0]=4 2117 B4R0.3 C[N+](C)(C)[O-] MCULE-7128782190 [1,1,0,0,0,0|1,0,1]=4 2118 B4R0.3 C[P+](C)(C)C MCULE-1640858311 [1,1,0,0,0,0|2,0,0]=4 2119 B4R0.3 C[P+](C)(C)C MCULE-6694954822 [1,1,0,0,0,0|2,0,0]=4 2120 B4R0.3 C[P+](C)(C)C MCULE-9710389170 [1,1,0,0,0,0|2,0,0]=4 2121 B4R0.3 C[S+](=O)(C)C MCULE-2814839338 [1,1,0,0,0,0|1,0,1]=4 2122 B4R0.3 C[S+](=O)(C)C MCULE-6233776311 [1,1,0,0,0,0|1,0,1]=4 2123 B4R0.3 C[S+](=O)(C)C MCULE-8597659521 [1,1,0,0,0,0|1,0,1]=4 2124 B4R0.3 C[S+](=O)(C)C MCULE-8812954810 [1,1,0,0,0,0|1,0,1]=4 2125 B4R0.3 C[Si](C)(C)Br MCULE-4585744872 [1,1,0,0,0,0|1,1,0]=4 2126 B4R0.3 C[Si](C)(C)C MCULE-6525916858 [1,1,0,0,0,0|1,1,0]=4 2127 B4R0.3 C[Si](C)(C)Cl MCULE-6300422765 [1,1,0,0,0,0|1,1,0]=4 2128 B4R0.3 C[Si](C)(C)I MCULE-5974866799 [1,1,0,0,0,0|1,1,0]=4 2129 B4R0.3 C[Si](C)(C)O MCULE-7661125809 [1,1,0,0,0,0|0,1,0]=3 2130 B4R0.3 C[Si](C)(Cl)Cl MCULE-9942976055 [1,1,0,0,0,0|1,1,0]=4 2131 B4R0.3 C[Si](C)(F)F MCULE-8972526873 [1,1,0,0,0,0|1,1,0]=4 2132 B4R0.3 C[Sn](C)(C)C MCULE-1160619415 [1,1,0,0,0,0|2,0,0]=4 2133 B4R0.3 ClC(Cl)(Cl)Br MCULE-5354639523 [1,1,0,0,0,0|2,0,0]=4 2134 B4R0.3 FC(Br)(Br)Br MCULE-2771468625 [1,1,0,0,0,0|2,0,0]=4 2135 B4R0.3 FC(F)(Br)Br MCULE-2087970018 [1,1,0,0,0,0|2,0,0]=4 2136 B4R0.3 FC(F)(Cl)Br MCULE-4290537444 [1,1,0,0,0,0|2,0,0]=4 2137 B6R0.1 C#CC(O)CCC MCULE-6152066005 [0,2,0,0,0,0|1,0,1]=4 2138 B6R0.1 C#CCC(C)CO MCULE-6139260605 [0,2,0,0,0,0|1,0,0]=3 2139 B6R0.1 C#CCC(C)NC MCULE-1501548827 [0,2,0,0,0,0|2,0,0]=4 2140 B6R0.1 C#CCC(C)NC MCULE-4715321546 [0,2,0,0,0,0|2,0,0]=4 2141 B6R0.1 C#CCC(N)CC MCULE-4259544439 [0,2,0,0,0,0|2,0,0]=4 2142 B6R0.1 C#CCC(N)CO MCULE-5669035635 [0,2,0,0,0,0|2,0,0]=4 2143 B6R0.1 C#CCC(O)CC MCULE-8783941008 [0,2,0,0,0,0|1,0,0]=3 2144 B6R0.1 C#CC[C@@H](N)CO MCULE-2638776426 [0,2,0,0,0,0|2,0,0]=4 2145 B6R0.1 C#CC[C@@H](N)CO MCULE-7710952185 [0,2,0,0,0,0|2,0,0]=4 2146 B6R0.1 C#CC[C@H](N)CO MCULE-8069295628 [0,2,0,0,0,0|2,0,0]=4 2147 B6R0.1 C#CC[C@H](N)CO MCULE-9440234580 [0,2,0,0,0,0|2,0,0]=4 2148 B6R0.1 C=C=CC(C)CO MCULE-4111632331 [0,2,0,0,0,0|1,0,1]=4 2149 B6R0.1 C=CC(C)CCC MCULE-2692803387 [0,2,0,0,0,0|2,0,0]=4 2150 B6R0.1 C=CC(C)CCO MCULE-2890369298 [0,2,0,0,0,0|1,0,1]=4 2151 B6R0.1 C=CC(O)CC#N MCULE-2128554895 [0,2,0,0,0,0|1,0,1]=4 2152 B6R0.1 C=CC(O)CCC MCULE-3664453040 [0,2,0,0,0,0|1,0,1]=4 2153 B6R0.1 C=CC(O)CCN MCULE-9346205308 [0,2,0,0,0,0|1,0,1]=4 2154 B6R0.1 C=CCC(C)C=O MCULE-3981206051 [0,2,0,0,0,0|1,0,1]=4 2155 B6R0.1 C=CCC(C)CC MCULE-8680856865 [0,2,0,0,0,0|2,0,0]=4 2156 B6R0.1 C=CCC(C)CO MCULE-9174943108 [0,2,0,0,0,0|1,0,0]=3 2157 B6R0.1 C=CCC(N)CC MCULE-2309097248 [0,2,0,0,0,0|2,0,0]=4 2158 B6R0.1 C=CCC(N)CC MCULE-8356954197 [0,2,0,0,0,0|2,0,0]=4 2159 B6R0.1 C=CCC(N)CO MCULE-3854217705 [0,2,0,0,0,0|2,0,0]=4 2160 B6R0.1 C=CCC(N)CO MCULE-6104194102 [0,2,0,0,0,0|2,0,0]=4 2161 B6R0.1 C=CCC(N)CO MCULE-6473126335 [0,2,0,0,0,0|2,0,0]=4 2162 B6R0.1 C=CCC(N)CO MCULE-8430673873 [0,2,0,0,0,0|2,0,0]=4 2163 B6R0.1 C=CCC(O)C=C MCULE-3803883413 [0,2,0,0,0,0|1,0,1]=4 2164 B6R0.1 C=CCC(O)CC MCULE-1497539816 [0,2,0,0,0,0|1,0,0]=3 2165 B6R0.1 C=CCC(O)CN MCULE-8237489732 [0,2,0,0,0,0|1,0,0]=3 2166 B6R0.1 C=CC[C@@H](N)CO MCULE-1869015815 [0,2,0,0,0,0|2,0,0]=4 2167 B6R0.1 C=CC[C@@H](N)CO MCULE-2792980070 [0,2,0,0,0,0|2,0,0]=4 2168 B6R0.1 C=CC[C@@H](N)CO MCULE-3168704187 [0,2,0,0,0,0|2,0,0]=4 2169 B6R0.1 C=CC[C@@H](N)CO MCULE-4796522209 [0,2,0,0,0,0|2,0,0]=4 2170 B6R0.1 C=CC[C@@H](O)CC MCULE-3259102701 [0,2,0,0,0,0|1,0,0]=3 2171 B6R0.1 C=CC[C@H](C)C=O MCULE-6968117309 [0,2,0,0,0,0|1,0,1]=4 2172 B6R0.1 C=CC[C@H](N)CO MCULE-2427943513 [0,2,0,0,0,0|2,0,0]=4 2173 B6R0.1 C=CC[C@H](N)CO MCULE-4244461120 [0,2,0,0,0,0|2,0,0]=4 2174 B6R0.1 C=CC[C@H](N)CO MCULE-6760610212 [0,2,0,0,0,0|2,0,0]=4 2175 B6R0.1 C=CC[C@H](N)CO MCULE-7914934929 [0,2,0,0,0,0|2,0,0]=4 2176 B6R0.1 C=CC[C@H](O)CC MCULE-6527977219 [0,2,0,0,0,0|1,0,0]=3 2177 B6R0.1 C=C[C@@H](O)CC#N MCULE-7370913372 [0,2,0,0,0,0|1,0,1]=4 2178 B6R0.1 CC#CC(O)CC MCULE-9870271888 [0,2,0,0,0,0|1,0,0]=3 2179 B6R0.1 CC(=CCBr)CBr MCULE-6875050264 [0,2,0,0,0,0|1,0,1]=4 2180 B6R0.1 CC(=CCBr)CCl MCULE-3390489656 [0,2,0,0,0,0|1,0,1]=4 2181 B6R0.1 CC(C#N)CNN MCULE-3638644383 [0,2,0,0,0,0|2,0,0]=4 2182 B6R0.1 CC(CC#N)NN MCULE-3246854071 [0,2,0,0,0,0|2,0,0]=4 2183 B6R0.1 CC(CN)CCN MCULE-2719332037 [0,2,0,0,0,0|2,0,0]=4 2184 B6R0.1 CC(CN)CCN MCULE-4200375624 [0,2,0,0,0,0|2,0,0]=4 2185 B6R0.1 CC(CN)CCO MCULE-5515163518 [0,2,0,0,0,0|1,0,0]=3 2186 B6R0.1 CC(CO)CCN MCULE-9900244005 [0,2,0,0,0,0|1,0,0]=3 2187 B6R0.1 CC(CO)CCO MCULE-5240961149 [0,2,0,0,0,0|1,0,0]=3 2188 B6R0.1 CC(CO)CCO MCULE-8678967805 [0,2,0,0,0,0|1,0,0]=3 2189 B6R0.1 CC=C[C@@H](N)CO MCULE-4690559736 [0,2,0,0,0,0|2,0,0]=4 2190 B6R0.1 CC=C[C@@H](N)CO MCULE-5852475953 [0,2,0,0,0,0|2,0,0]=4 2191 B6R0.1 CC=C[C@H](N)CO MCULE-6168992245 [0,2,0,0,0,0|2,0,0]=4 2192 B6R0.1 CC=C[C@H](N)CO MCULE-6971252398 [0,2,0,0,0,0|2,0,0]=4 2193 B6R0.1 CCC(=CCO)C MCULE-5264054153 [0,2,0,0,0,0|1,0,1]=4 2194 B6R0.1 CCC(Br)COC MCULE-7942540965 [0,2,0,0,0,0|2,0,0]=4 2195 B6R0.1 CCC(C)C=NO MCULE-2829500970 [0,2,0,0,0,0|1,0,0]=3 2196 B6R0.1 CCC(C)CC#N MCULE-8784266918 [0,2,0,0,0,0|2,0,0]=4 2197 B6R0.1 CCC(C)CC=O MCULE-9143756592 [0,2,0,0,0,0|1,0,1]=4 2198 B6R0.1 CCC(C)CCBr MCULE-6033010731 [0,2,0,0,0,0|1,0,0]=3 2199 B6R0.1 CCC(C)CCCl MCULE-2069721626 [0,2,0,0,0,0|1,1,0]=4 2200 B6R0.1 CCC(C)CCN MCULE-4140800594 [0,2,0,0,0,0|2,0,0]=4 2201 B6R0.1 CCC(C)CCN MCULE-5509248218 [0,2,0,0,0,0|2,0,0]=4 2202 B6R0.1 CCC(C)CCO MCULE-6482427735 [0,2,0,0,0,0|1,0,0]=3 2203 B6R0.1 CCC(C)CNC MCULE-1998406301 [0,2,0,0,0,0|2,0,0]=4 2204 B6R0.1 CCC(C)CNC MCULE-5957910094 [0,2,0,0,0,0|2,0,0]=4 2205 B6R0.1 CCC(C)CON MCULE-7033012303 [0,2,0,0,0,0|1,0,0]=3 2206 B6R0.1 CCC(C)N=C=O MCULE-4771945289 [0,2,0,0,0,0|1,0,1]=4 2207 B6R0.1 CCC(C)N=C=S MCULE-7411656228 [0,2,0,0,0,0|1,1,0]=4 2208 B6R0.1 CCC(C)NC=O MCULE-2197007756 [0,2,0,0,0,0|1,0,1]=4 2209 B6R0.1 CCC(C)OC=O MCULE-9361787208 [0,2,0,0,0,0|1,0,0]=3 2210 B6R0.1 CCC(C)SC#N MCULE-5870963705 [0,2,0,0,0,0|1,1,0]=4 2211 B6R0.1 CCC(N)CC#N MCULE-9550652690 [0,2,0,0,0,0|2,0,0]=4 2212 B6R0.1 CCC(N)CCN MCULE-8956610037 [0,2,0,0,0,0|2,0,0]=4 2213 B6R0.1 CCC(N)CCO MCULE-1511155206 [0,2,0,0,0,0|2,0,0]=4 2214 B6R0.1 CCC(N)CCO MCULE-5525302643 [0,2,0,0,0,0|2,0,0]=4 2215 B6R0.1 CCC(N)COC MCULE-2103613859 [0,2,0,0,0,0|2,0,0]=4 2216 B6R0.1 CCC(N)COC MCULE-5835446359 [0,2,0,0,0,0|2,0,0]=4 2217 B6R0.1 CCC(N)CSC MCULE-9145513729 [0,2,0,0,0,0|2,0,0]=4 2218 B6R0.1 CCC(O)CC#N MCULE-2542710031 [0,2,0,0,0,0|1,0,0]=3 2219 B6R0.1 CCC(O)CCN MCULE-5387303971 [0,2,0,0,0,0|1,0,0]=3 2220 B6R0.1 CCC(O)CCO MCULE-5156075792 [0,2,0,0,0,0|1,0,0]=3 2221 B6R0.1 CCC(O)CNC MCULE-2490431367 [0,2,0,0,0,0|1,0,0]=3 2222 B6R0.1 CCC(O)CNN MCULE-1038166714 [0,2,0,0,0,0|1,0,0]=3 2223 B6R0.1 CCC(O)CNN MCULE-6391104058 [0,2,0,0,0,0|1,0,0]=3 2224 B6R0.1 CCC(O)COC MCULE-6751000060 [0,2,0,0,0,0|1,0,0]=3 2225 B6R0.1 CCC(O)CSC MCULE-3582683720 [0,2,0,0,0,0|1,0,0]=3 2226 B6R0.1 CCC(S)CCO MCULE-4193788852 [0,2,0,0,0,0|1,1,0]=4 2227 B6R0.1 CCCC(=NO)C MCULE-6437787263 [0,2,0,0,0,0|1,0,1]=4 2228 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [0,2,0,0,0,0|0,0,2]=4 2229 B6R0.1 CCCC(Br)CC MCULE-9116433502 [0,2,0,0,0,0|2,0,0]=4 2230 B6R0.1 CCCC(C)C#N MCULE-2492294131 [0,2,0,0,0,0|2,0,0]=4 2231 B6R0.1 CCCC(C)C=O MCULE-9756444218 [0,2,0,0,0,0|1,0,1]=4 2232 B6R0.1 CCCC(C)CBr MCULE-3437352091 [0,2,0,0,0,0|1,0,0]=3 2233 B6R0.1 CCCC(C)CC MCULE-7082933967 [0,2,0,0,0,0|2,0,0]=4 2234 B6R0.1 CCCC(C)CCl MCULE-2381010454 [0,2,0,0,0,0|1,1,0]=4 2235 B6R0.1 CCCC(C)CN MCULE-9552289739 [0,2,0,0,0,0|2,0,0]=4 2236 B6R0.1 CCCC(C)CO MCULE-9777250826 [0,2,0,0,0,0|1,0,0]=3 2237 B6R0.1 CCCC(C)NC MCULE-1560121168 [0,2,0,0,0,0|2,0,0]=4 2238 B6R0.1 CCCC(C)NC MCULE-2169396338 [0,2,0,0,0,0|2,0,0]=4 2239 B6R0.1 CCCC(Cl)CC MCULE-1581617529 [0,2,0,0,0,0|2,0,0]=4 2240 B6R0.1 CCCC(Cl)CCl MCULE-9464139069 [0,2,0,0,0,0|1,1,0]=4 2241 B6R0.1 CCCC(N)CC MCULE-5349906741 [0,2,0,0,0,0|2,0,0]=4 2242 B6R0.1 CCCC(N)CC MCULE-7172418373 [0,2,0,0,0,0|2,0,0]=4 2243 B6R0.1 CCCC(N)CN MCULE-8606218569 [0,2,0,0,0,0|2,0,0]=4 2244 B6R0.1 CCCC(N)CO MCULE-3404967504 [0,2,0,0,0,0|2,0,0]=4 2245 B6R0.1 CCCC(N)CO MCULE-3802448518 [0,2,0,0,0,0|2,0,0]=4 2246 B6R0.1 CCCC(N)CO MCULE-4259078445 [0,2,0,0,0,0|2,0,0]=4 2247 B6R0.1 CCCC(N)CO MCULE-6425025734 [0,2,0,0,0,0|2,0,0]=4 2248 B6R0.1 CCCC(O)C#N MCULE-7017059503 [0,2,0,0,0,0|1,0,1]=4 2249 B6R0.1 CCCC(O)CBr MCULE-5186252424 [0,2,0,0,0,0|0,0,0]=2 2250 B6R0.1 CCCC(O)CC MCULE-9504041935 [0,2,0,0,0,0|1,0,0]=3 2251 B6R0.1 CCCC(O)CCl MCULE-4737360217 [0,2,0,0,0,0|0,1,0]=3 2252 B6R0.1 CCCC(O)CN MCULE-9402934997 [0,2,0,0,0,0|1,0,0]=3 2253 B6R0.1 CCCC(O)CO MCULE-5124107719 [0,2,0,0,0,0|1,0,0]=3 2254 B6R0.1 CCCC(S)CC MCULE-1322481338 [0,2,0,0,0,0|1,1,0]=4 2255 B6R0.1 CCC[C@@H](N)CF MCULE-4702552251 [0,2,0,0,0,0|1,1,0]=4 2256 B6R0.1 CCC[C@@H](N)CF MCULE-8118043624 [0,2,0,0,0,0|1,1,0]=4 2257 B6R0.1 CCC[C@@H](N)CO MCULE-3684308356 [0,2,0,0,0,0|2,0,0]=4 2258 B6R0.1 CCC[C@@H](N)CO MCULE-4573401915 [0,2,0,0,0,0|2,0,0]=4 2259 B6R0.1 CCC[C@@H](N)CO MCULE-5502830670 [0,2,0,0,0,0|2,0,0]=4 2260 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [0,2,0,0,0,0|1,0,0]=3 2261 B6R0.1 CCC[C@H](N)CF MCULE-7192744944 [0,2,0,0,0,0|1,1,0]=4 2262 B6R0.1 CCC[C@H](N)CF MCULE-7441387613 [0,2,0,0,0,0|1,1,0]=4 2263 B6R0.1 CCC[C@H](N)CO MCULE-4293730307 [0,2,0,0,0,0|2,0,0]=4 2264 B6R0.1 CCC[C@H](N)CO MCULE-5185063577 [0,2,0,0,0,0|2,0,0]=4 2265 B6R0.1 CCC[C@H](N)CO MCULE-5836622975 [0,2,0,0,0,0|2,0,0]=4 2266 B6R0.1 CCC[C@H](N)CO MCULE-7340014196 [0,2,0,0,0,0|2,0,0]=4 2267 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [0,2,0,0,0,0|1,0,0]=3 2268 B6R0.1 CCN(C)CCO MCULE-5519271145 [0,2,0,0,0,0|2,0,0]=4 2269 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [0,2,0,0,0,0|0,0,2]=4 2270 B6R0.1 CCNC(C)C#N MCULE-2197533334 [0,2,0,0,0,0|2,0,0]=4 2271 B6R0.1 CCNC(C)C#N MCULE-2463800188 [0,2,0,0,0,0|2,0,0]=4 2272 B6R0.1 CCNC(C)CC MCULE-1017617081 [0,2,0,0,0,0|2,0,0]=4 2273 B6R0.1 CCNC(C)CC MCULE-2691229640 [0,2,0,0,0,0|2,0,0]=4 2274 B6R0.1 CCNC(C)CO MCULE-4344397973 [0,2,0,0,0,0|1,0,0]=3 2275 B6R0.1 CCN[C@@H](C)CO MCULE-5648721449 [0,2,0,0,0,0|1,0,0]=3 2276 B6R0.1 CCN[C@H](C)CO MCULE-8047465405 [0,2,0,0,0,0|1,0,0]=3 2277 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [0,2,0,0,0,0|1,0,1]=4 2278 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [0,2,0,0,0,0|1,0,1]=4 2279 B6R0.1 CCOC(=NO)C MCULE-6964305821 [0,2,0,0,0,0|1,0,1]=4 2280 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [0,2,0,0,0,0|0,0,2]=4 2281 B6R0.1 CCOC(C)CC MCULE-5049998907 [0,2,0,0,0,0|1,0,0]=3 2282 B6R0.1 CCOC(C)CN MCULE-2322112215 [0,2,0,0,0,0|1,0,0]=3 2283 B6R0.1 CCOC(C)CN MCULE-7307949125 [0,2,0,0,0,0|1,0,0]=3 2284 B6R0.1 CCOC(C)CO MCULE-1592146913 [0,2,0,0,0,0|1,0,0]=3 2285 B6R0.1 CCOC(Cl)CCl MCULE-2309448343 [0,2,0,0,0,0|1,1,0]=4 2286 B6R0.1 CCSC(C)C#N MCULE-1159924867 [0,2,0,0,0,0|2,0,0]=4 2287 B6R0.1 CC[C@@H](N)CC#N MCULE-3694594576 [0,2,0,0,0,0|2,0,0]=4 2288 B6R0.1 CC[C@@H](N)CC#N MCULE-9083117229 [0,2,0,0,0,0|2,0,0]=4 2289 B6R0.1 CC[C@@H](N)COC MCULE-2231338404 [0,2,0,0,0,0|2,0,0]=4 2290 B6R0.1 CC[C@@H](N)COC MCULE-2931188781 [0,2,0,0,0,0|2,0,0]=4 2291 B6R0.1 CC[C@@H](N)COC MCULE-5773677141 [0,2,0,0,0,0|2,0,0]=4 2292 B6R0.1 CC[C@@H](N)COC MCULE-5939905142 [0,2,0,0,0,0|2,0,0]=4 2293 B6R0.1 CC[C@@H](O)CC#N MCULE-5921416613 [0,2,0,0,0,0|1,0,0]=3 2294 B6R0.1 CC[C@@H](O)CC#N MCULE-8527710778 [0,2,0,0,0,0|1,0,0]=3 2295 B6R0.1 CC[C@H](C)CCO MCULE-1190203828 [0,2,0,0,0,0|1,0,0]=3 2296 B6R0.1 CC[C@H](C)CCO MCULE-8460710173 [0,2,0,0,0,0|1,0,0]=3 2297 B6R0.1 CC[C@H](N)CC#N MCULE-9692545503 [0,2,0,0,0,0|2,0,0]=4 2298 B6R0.1 CC[C@H](N)COC MCULE-1115072226 [0,2,0,0,0,0|2,0,0]=4 2299 B6R0.1 CC[C@H](N)COC MCULE-3917835289 [0,2,0,0,0,0|2,0,0]=4 2300 B6R0.1 CC[C@H](N)COC MCULE-8706423122 [0,2,0,0,0,0|2,0,0]=4 2301 B6R0.1 CC[C@H](N)COC MCULE-9406311547 [0,2,0,0,0,0|2,0,0]=4 2302 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [0,2,0,0,0,0|0,0,2]=4 2303 B6R0.1 CNC(C)CC#N MCULE-3748387165 [0,2,0,0,0,0|2,0,0]=4 2304 B6R0.1 CNC(C)CCO MCULE-4722422254 [0,2,0,0,0,0|2,0,0]=4 2305 B6R0.1 CNC(C)COC MCULE-6864731576 [0,2,0,0,0,0|2,0,0]=4 2306 B6R0.1 CNC(C)COC MCULE-9135013355 [0,2,0,0,0,0|2,0,0]=4 2307 B6R0.1 CNC(C)CSC MCULE-8293407208 [0,2,0,0,0,0|2,0,0]=4 2308 B6R0.1 CNCC(C)C#N MCULE-1673067512 [0,2,0,0,0,0|2,0,0]=4 2309 B6R0.1 CNCC(C)CN MCULE-1889673811 [0,2,0,0,0,0|2,0,0]=4 2310 B6R0.1 CNCC(C)CO MCULE-6329429747 [0,2,0,0,0,0|1,0,0]=3 2311 B6R0.1 CNCC(C)OC MCULE-6977139114 [0,2,0,0,0,0|1,0,0]=3 2312 B6R0.1 CNCC(C)OC MCULE-8216810034 [0,2,0,0,0,0|1,0,0]=3 2313 B6R0.1 CNCC(O)CF MCULE-3368370486 [0,2,0,0,0,0|0,1,0]=3 2314 B6R0.1 CNCC(O)CN MCULE-1077260629 [0,2,0,0,0,0|1,0,0]=3 2315 B6R0.1 CNCC(O)CO MCULE-4566952448 [0,2,0,0,0,0|1,0,0]=3 2316 B6R0.1 CNC[C@H](O)CO MCULE-3410453252 [0,2,0,0,0,0|1,0,0]=3 2317 B6R0.1 COC(=O)CCBr MCULE-3565567444 [0,2,0,0,0,0|0,0,2]=4 2318 B6R0.1 COC(C)CC=O MCULE-7243333697 [0,2,0,0,0,0|1,0,0]=3 2319 B6R0.1 COC(C)CCN MCULE-8081876282 [0,2,0,0,0,0|1,0,0]=3 2320 B6R0.1 COC(C)CCN MCULE-8892057529 [0,2,0,0,0,0|1,0,0]=3 2321 B6R0.1 COC(C)CCO MCULE-7396381165 [0,2,0,0,0,0|1,0,0]=3 2322 B6R0.1 COCC(C)C#N MCULE-2978497753 [0,2,0,0,0,0|1,0,1]=4 2323 B6R0.1 COCC(C)C=O MCULE-7679332713 [0,2,0,0,0,0|1,0,1]=4 2324 B6R0.1 COCC(C)CN MCULE-3223901774 [0,2,0,0,0,0|1,0,0]=3 2325 B6R0.1 COCC(C)CO MCULE-7663064542 [0,2,0,0,0,0|1,0,0]=3 2326 B6R0.1 COCC(C)OC MCULE-1583498700 [0,2,0,0,0,0|1,0,0]=3 2327 B6R0.1 COCC(F)CN MCULE-2821685967 [0,2,0,0,0,0|2,0,0]=4 2328 B6R0.1 COCC(F)CN MCULE-9691951401 [0,2,0,0,0,0|2,0,0]=4 2329 B6R0.1 COCC(N)CN MCULE-1244199319 [0,2,0,0,0,0|2,0,0]=4 2330 B6R0.1 COCC(N)CO MCULE-2141613120 [0,2,0,0,0,0|2,0,0]=4 2331 B6R0.1 COCC(N)CO MCULE-3194232042 [0,2,0,0,0,0|2,0,0]=4 2332 B6R0.1 COCC(N)CO MCULE-6545937769 [0,2,0,0,0,0|2,0,0]=4 2333 B6R0.1 COCC(N)CO MCULE-7989665777 [0,2,0,0,0,0|2,0,0]=4 2334 B6R0.1 COCC(O)C#N MCULE-2148015888 [0,2,0,0,0,0|1,0,1]=4 2335 B6R0.1 COCC(O)CBr MCULE-6900294714 [0,2,0,0,0,0|0,0,0]=2 2336 B6R0.1 COCC(O)CCl MCULE-9314630227 [0,2,0,0,0,0|0,1,0]=3 2337 B6R0.1 COCC(O)CF MCULE-1938415887 [0,2,0,0,0,0|0,1,0]=3 2338 B6R0.1 COCC(O)CN MCULE-2044547388 [0,2,0,0,0,0|1,0,0]=3 2339 B6R0.1 COCC(O)CN MCULE-2145726384 [0,2,0,0,0,0|1,0,0]=3 2340 B6R0.1 COCC(O)CN MCULE-3637597204 [0,2,0,0,0,0|1,0,0]=3 2341 B6R0.1 COCC(O)CO MCULE-1154104224 [0,2,0,0,0,0|1,0,0]=3 2342 B6R0.1 COC[C@@H](N)CO MCULE-2792470078 [0,2,0,0,0,0|2,0,0]=4 2343 B6R0.1 COC[C@@H](N)CO MCULE-3805343572 [0,2,0,0,0,0|2,0,0]=4 2344 B6R0.1 COC[C@@H](N)CO MCULE-7953239910 [0,2,0,0,0,0|2,0,0]=4 2345 B6R0.1 COC[C@@H](N)CO MCULE-9178553914 [0,2,0,0,0,0|2,0,0]=4 2346 B6R0.1 COC[C@@H](O)CN MCULE-2116679841 [0,2,0,0,0,0|1,0,0]=3 2347 B6R0.1 COC[C@@H](O)CN MCULE-4198842123 [0,2,0,0,0,0|1,0,0]=3 2348 B6R0.1 COC[C@@H](O)CN MCULE-6330998296 [0,2,0,0,0,0|1,0,0]=3 2349 B6R0.1 COC[C@H](C)CO MCULE-3120475252 [0,2,0,0,0,0|1,0,0]=3 2350 B6R0.1 COC[C@H](F)CN MCULE-2663238018 [0,2,0,0,0,0|2,0,0]=4 2351 B6R0.1 COC[C@H](N)CO MCULE-1678153673 [0,2,0,0,0,0|2,0,0]=4 2352 B6R0.1 COC[C@H](N)CO MCULE-2304967280 [0,2,0,0,0,0|2,0,0]=4 2353 B6R0.1 COC[C@H](N)CO MCULE-6509090198 [0,2,0,0,0,0|2,0,0]=4 2354 B6R0.1 COC[C@H](N)CO MCULE-9806530206 [0,2,0,0,0,0|2,0,0]=4 2355 B6R0.1 COC[C@H](O)CN MCULE-1962346446 [0,2,0,0,0,0|1,0,0]=3 2356 B6R0.1 COC[C@H](O)CN MCULE-6290984425 [0,2,0,0,0,0|1,0,0]=3 2357 B6R0.1 CON(C)CCN MCULE-9318319159 [0,2,0,0,0,0|2,0,0]=4 2358 B6R0.1 CSC(C)CC=O MCULE-9433914892 [0,2,0,0,0,0|1,1,0]=4 2359 B6R0.1 CSC(C)CCN MCULE-5474458753 [0,2,0,0,0,0|1,1,0]=4 2360 B6R0.1 CSC(C)CCO MCULE-4317600086 [0,2,0,0,0,0|1,1,0]=4 2361 B6R0.1 CSCC(C)CN MCULE-4493405290 [0,2,0,0,0,0|1,1,0]=4 2362 B6R0.1 CSCC(C)CO MCULE-3842820579 [0,2,0,0,0,0|1,0,0]=3 2363 B6R0.1 CSCC(O)CO MCULE-6573013078 [0,2,0,0,0,0|1,0,0]=3 2364 B6R0.1 C[C@@H](CN)N=[N+]=[N-] MCULE-7824219753 [0,2,0,0,0,0|2,0,0]=4 2365 B6R0.1 C[C@@H](CN)N=[N+]=[N-] MCULE-8820619468 [0,2,0,0,0,0|2,0,0]=4 2366 B6R0.1 C[C@@H](CO)CCN MCULE-4422620011 [0,2,0,0,0,0|1,0,0]=3 2367 B6R0.1 C[C@@H](CO)CCN MCULE-7560169391 [0,2,0,0,0,0|1,0,0]=3 2368 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [0,2,0,0,0,0|1,0,0]=3 2369 B6R0.1 C[C@H](CN)N=[N+]=[N-] MCULE-6367279534 [0,2,0,0,0,0|2,0,0]=4 2370 B6R0.1 C[C@H](CN)N=[N+]=[N-] MCULE-9751083539 [0,2,0,0,0,0|2,0,0]=4 2371 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [0,2,0,0,0,0|1,0,0]=3 2372 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [0,2,0,0,0,0|1,0,0]=3 2373 B6R0.1 ClCC(Cl)CCBr MCULE-2469656567 [0,2,0,0,0,0|1,0,0]=3 2374 B6R0.1 FC(CBr)CCBr MCULE-2311323533 [0,2,0,0,0,0|1,0,0]=3 2375 B6R0.1 N#CCC(O)CCl MCULE-8450875181 [0,2,0,0,0,0|0,1,0]=3 2376 B6R0.1 N#CCC(O)CCl MCULE-8948452380 [0,2,0,0,0,0|0,1,0]=3 2377 B6R0.1 N#CC[C@@H](O)CCl MCULE-6554781206 [0,2,0,0,0,0|0,1,0]=3 2378 B6R0.1 N#CC[C@@H](O)CCl MCULE-7510135915 [0,2,0,0,0,0|0,1,0]=3 2379 B6R0.1 N#CC[C@H](O)CCl MCULE-4155359829 [0,2,0,0,0,0|0,1,0]=3 2380 B6R0.1 N#CC[C@H](O)CCl MCULE-9172368545 [0,2,0,0,0,0|0,1,0]=3 2381 B6R0.1 NC(CO)CCF MCULE-3691993352 [0,2,0,0,0,0|1,1,0]=4 2382 B6R0.1 NC(CO)CCO MCULE-3703088648 [0,2,0,0,0,0|2,0,0]=4 2383 B6R0.1 NC(CO)CCO MCULE-7609576462 [0,2,0,0,0,0|2,0,0]=4 2384 B6R0.1 NCC(N)CCO MCULE-2965554481 [0,2,0,0,0,0|2,0,0]=4 2385 B6R0.1 NCCC(F)CN MCULE-9478589176 [0,2,0,0,0,0|2,0,0]=4 2386 B6R0.1 NCCC(O)CN MCULE-9177974477 [0,2,0,0,0,0|1,0,0]=3 2387 B6R0.1 NCCC(O)CO MCULE-2556586168 [0,2,0,0,0,0|1,0,0]=3 2388 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [0,2,0,0,0,0|2,0,0]=4 2389 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [0,2,0,0,0,0|2,0,0]=4 2390 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [0,2,0,0,0,0|2,0,0]=4 2391 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [0,2,0,0,0,0|2,0,0]=4 2392 B6R0.1 N[C@H](CS)CCS MCULE-5846021725 [0,2,0,0,0,0|2,0,0]=4 2393 B6R0.1 N[C@H](CS)CCS MCULE-6871313350 [0,2,0,0,0,0|2,0,0]=4 2394 B6R0.1 N[C@H](CS)CCS MCULE-8095554848 [0,2,0,0,0,0|2,0,0]=4 2395 B6R0.1 N[C@H](CS)CCS MCULE-8177349504 [0,2,0,0,0,0|2,0,0]=4 2396 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [0,2,0,0,0,0|0,1,0]=3 2397 B6R0.1 OC(CBr)CCBr MCULE-5156583342 [0,2,0,0,0,0|0,0,0]=2 2398 B6R0.1 OC(CCl)CCCl MCULE-5495327725 [0,2,0,0,0,0|0,1,0]=3 2399 B6R0.1 OCCC(O)CCl MCULE-4752952606 [0,2,0,0,0,0|0,1,0]=3 2400 B6R0.1 OCCC(O)CO MCULE-6470178852 [0,2,0,0,0,0|1,0,0]=3 2401 B6R0.1 OCC[C@@H](Br)CO MCULE-4859199629 [0,2,0,0,0,0|2,0,0]=4 2402 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [0,2,0,0,0,0|1,0,0]=3 2403 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [0,2,0,0,0,0|1,0,0]=3 2404 B6R0.1 OCC[C@H](O)CBr MCULE-1990035925 [0,2,0,0,0,0|0,0,0]=2 2405 B6R0.1 OCC[C@H](O)CCl MCULE-4561806159 [0,2,0,0,0,0|0,1,0]=3 2406 B6R0.1 OCC[C@H](O)CCl MCULE-8582759529 [0,2,0,0,0,0|0,1,0]=3 2407 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [0,2,0,0,0,0|1,0,0]=3 2408 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [0,2,0,0,0,0|1,0,0]=3 2409 B6R0.1 O[C@@H](CBr)CCBr MCULE-2137750043 [0,2,0,0,0,0|0,0,0]=2 2410 B6R0.1 O[C@H](CBr)CCBr MCULE-2647046297 [0,2,0,0,0,0|0,0,0]=2 2411 B6R0.1 O[C@H](CBr)CCBr MCULE-5662911918 [0,2,0,0,0,0|0,0,0]=2 2412 B6R0.1 [C@@H](N)(CC)CC#N MCULE-3832898190 [0,2,0,0,0,0|2,0,0]=4 2413 B6R0.1 [C@H](N)(CC)CC#N MCULE-3962570164 [0,2,0,0,0,0|2,0,0]=4 2414 B6R0.1 [NH3+]CCC(F)C[NH3+] MCULE-8320233584 [0,2,0,0,0,0|2,0,0]=4 2415 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [0,2,0,0,0,0|2,0,0]=4 2416 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,2,0,0,0,0|1,0,0]=3 2417 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,2,0,0,0,0|1,0,0]=3 2418 B6R0.2 CC(=CC(C)O)C MCULE-5270694894 [0,2,0,0,0,0|1,0,1]=4 2419 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,2,0,0,0,0|2,0,0]=4 2420 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,2,0,0,0,0|2,0,0]=4 2421 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,2,0,0,0,0|2,0,0]=4 2422 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,2,0,0,0,0|1,0,0]=3 2423 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,2,0,0,0,0|2,0,0]=4 2424 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,2,0,0,0,0|2,0,0]=4 2425 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [0,2,0,0,0,0|0,0,2]=4 2426 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,2,0,0,0,0|1,0,1]=4 2427 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [0,2,0,0,0,0|2,0,0]=4 2428 B6R0.2 CC(Br)CC(C)Br MCULE-1139583334 [0,2,0,0,0,0|1,0,0]=3 2429 B6R0.2 CC(C)CB(O)O MCULE-9748327681 [0,2,0,0,0,0|2,0,0]=4 2430 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [0,2,0,0,0,0|2,0,0]=4 2431 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [0,2,0,0,0,0|2,0,0]=4 2432 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [0,2,0,0,0,0|2,0,0]=4 2433 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,2,0,0,0,0|1,1,0]=4 2434 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,2,0,0,0,0|2,0,0]=4 2435 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,2,0,0,0,0|2,0,0]=4 2436 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [0,2,0,0,0,0|2,0,0]=4 2437 B6R0.2 CC(C)CC(C)Br MCULE-1549882864 [0,2,0,0,0,0|1,0,0]=3 2438 B6R0.2 CC(C)CC(C)C MCULE-1646863110 [0,2,0,0,0,0|2,0,0]=4 2439 B6R0.2 CC(C)CC(C)I MCULE-6965017338 [0,2,0,0,0,0|1,1,0]=4 2440 B6R0.2 CC(C)CC(C)N MCULE-1144229692 [0,2,0,0,0,0|2,0,0]=4 2441 B6R0.2 CC(C)CC(C)N MCULE-5992377656 [0,2,0,0,0,0|2,0,0]=4 2442 B6R0.2 CC(C)CC(C)O MCULE-9223768698 [0,2,0,0,0,0|1,0,0]=3 2443 B6R0.2 CC(C)CN(=O)=O MCULE-1357840093 [0,2,0,0,0,0|2,0,0]=4 2444 B6R0.2 CC(C)CS(=O)[O-] MCULE-3716652382 [0,2,0,0,0,0|2,0,0]=4 2445 B6R0.2 CC(C)CS(=O)[O-] MCULE-7111094918 [0,2,0,0,0,0|2,0,0]=4 2446 B6R0.2 CC(C)C[C@@H](C)N MCULE-5902933285 [0,2,0,0,0,0|2,0,0]=4 2447 B6R0.2 CC(C)C[C@@H](C)N MCULE-7208228535 [0,2,0,0,0,0|2,0,0]=4 2448 B6R0.2 CC(C)C[C@@H](C)O MCULE-3150675602 [0,2,0,0,0,0|1,0,0]=3 2449 B6R0.2 CC(C)C[C@@H](C)O MCULE-4011042896 [0,2,0,0,0,0|1,0,0]=3 2450 B6R0.2 CC(C)NC(C)C MCULE-4201618834 [0,2,0,0,0,0|2,0,0]=4 2451 B6R0.2 CC(C)NC(C)C MCULE-4622359369 [0,2,0,0,0,0|2,0,0]=4 2452 B6R0.2 CC(C)NC(C)C MCULE-6982639198 [0,2,0,0,0,0|2,0,0]=4 2453 B6R0.2 CC(C)NC(C)C MCULE-8645161809 [0,2,0,0,0,0|2,0,0]=4 2454 B6R0.2 CC(C)NC(C)C MCULE-9048109449 [0,2,0,0,0,0|2,0,0]=4 2455 B6R0.2 CC(C)OC(C)C MCULE-2250230766 [0,2,0,0,0,0|2,0,0]=4 2456 B6R0.2 CC(C)PC(C)C MCULE-7216494966 [0,2,0,0,0,0|2,0,0]=4 2457 B6R0.2 CC(C)SC(C)C MCULE-4851334832 [0,2,0,0,0,0|2,0,0]=4 2458 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,2,0,0,0,0|1,1,0]=4 2459 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,2,0,0,0,0|2,0,0]=4 2460 B6R0.2 CC(Cl)CN(C)C MCULE-6738916847 [0,2,0,0,0,0|2,0,0]=4 2461 B6R0.2 CC(Cl)CN(C)C MCULE-7074789151 [0,2,0,0,0,0|2,0,0]=4 2462 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,2,0,0,0,0|2,0,0]=4 2463 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,2,0,0,0,0|2,0,0]=4 2464 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,2,0,0,0,0|2,0,0]=4 2465 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,2,0,0,0,0|2,0,0]=4 2466 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,2,0,0,0,0|2,0,0]=4 2467 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,2,0,0,0,0|2,0,0]=4 2468 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,2,0,0,0,0|2,0,0]=4 2469 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [0,2,0,0,0,0|1,0,0]=3 2470 B6R0.2 CC(N)CC(F)F MCULE-9211292557 [0,2,0,0,0,0|1,1,0]=4 2471 B6R0.2 CC(N)CC(F)F MCULE-9693935594 [0,2,0,0,0,0|1,1,0]=4 2472 B6R0.2 CC(N)CN(C)C MCULE-4834268309 [0,2,0,0,0,0|2,0,0]=4 2473 B6R0.2 CC(N)CN(C)C MCULE-9601630435 [0,2,0,0,0,0|2,0,0]=4 2474 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [0,2,0,0,0,0|2,0,0]=4 2475 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,2,0,0,0,0|1,0,0]=3 2476 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,2,0,0,0,0|1,0,0]=3 2477 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,2,0,0,0,0|1,0,0]=3 2478 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,2,0,0,0,0|1,0,0]=3 2479 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,2,0,0,0,0|1,0,0]=3 2480 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [0,2,0,0,0,0|1,0,0]=3 2481 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [0,2,0,0,0,0|1,0,0]=3 2482 B6R0.2 CC(O)CN(C)C MCULE-6531222530 [0,2,0,0,0,0|1,0,0]=3 2483 B6R0.2 CC(O)CN(C)C MCULE-7127620454 [0,2,0,0,0,0|1,0,0]=3 2484 B6R0.2 CC(O)CN(C)N MCULE-6197492770 [0,2,0,0,0,0|1,0,0]=3 2485 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [0,2,0,0,0,0|1,0,0]=3 2486 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,2,0,0,0,0|2,0,0]=4 2487 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,2,0,0,0,0|2,0,0]=4 2488 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,2,0,0,0,0|2,0,0]=4 2489 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,2,0,0,0,0|2,0,0]=4 2490 B6R0.2 C[C@@H](N)CN(C)C MCULE-2034828409 [0,2,0,0,0,0|2,0,0]=4 2491 B6R0.2 C[C@@H](N)CN(C)C MCULE-2147556460 [0,2,0,0,0,0|2,0,0]=4 2492 B6R0.2 C[C@@H](N)CN(C)C MCULE-6097836560 [0,2,0,0,0,0|2,0,0]=4 2493 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,2,0,0,0,0|1,0,0]=3 2494 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,2,0,0,0,0|1,0,0]=3 2495 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,2,0,0,0,0|1,0,0]=3 2496 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,2,0,0,0,0|1,0,0]=3 2497 B6R0.2 C[C@@H](O)CN(C)C MCULE-3114172439 [0,2,0,0,0,0|1,0,0]=3 2498 B6R0.2 C[C@@H](O)CN(C)C MCULE-9927679143 [0,2,0,0,0,0|1,0,0]=3 2499 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [0,2,0,0,0,0|1,0,0]=3 2500 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [0,2,0,0,0,0|1,0,0]=3 2501 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [0,2,0,0,0,0|1,0,0]=3 2502 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,2,0,0,0,0|1,0,1]=4 2503 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,2,0,0,0,0|1,0,1]=4 2504 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,2,0,0,0,0|2,0,0]=4 2505 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,2,0,0,0,0|2,0,0]=4 2506 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,2,0,0,0,0|2,0,0]=4 2507 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,2,0,0,0,0|2,0,0]=4 2508 B6R0.2 C[C@H](N)CN(C)C MCULE-2526118342 [0,2,0,0,0,0|2,0,0]=4 2509 B6R0.2 C[C@H](N)CN(C)C MCULE-3902055308 [0,2,0,0,0,0|2,0,0]=4 2510 B6R0.2 C[C@H](N)CN(C)C MCULE-4292583182 [0,2,0,0,0,0|2,0,0]=4 2511 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,2,0,0,0,0|1,0,0]=3 2512 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,2,0,0,0,0|1,0,0]=3 2513 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,2,0,0,0,0|1,0,0]=3 2514 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,2,0,0,0,0|1,0,0]=3 2515 B6R0.2 C[C@H](O)CN(C)C MCULE-4542650002 [0,2,0,0,0,0|1,0,0]=3 2516 B6R0.2 C[C@H](O)CN(C)C MCULE-4717676519 [0,2,0,0,0,0|1,0,0]=3 2517 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [0,2,0,0,0,0|1,0,0]=3 2518 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [0,2,0,0,0,0|1,0,0]=3 2519 B6R0.3 C#CC(N)C(C)C MCULE-3430729891 [0,2,0,0,0,0|2,0,0]=4 2520 B6R0.3 C#CC(N)C(C)C MCULE-7604887558 [0,2,0,0,0,0|2,0,0]=4 2521 B6R0.3 C#CC(O)C(C)C MCULE-6729964061 [0,2,0,0,0,0|1,0,1]=4 2522 B6R0.3 C#C[C@@H](O)C(C)C MCULE-2957798079 [0,2,0,0,0,0|1,0,1]=4 2523 B6R0.3 C#C[C@H](O)C(C)C MCULE-7477457472 [0,2,0,0,0,0|1,0,1]=4 2524 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,2,0,0,0,0|1,0,1]=4 2525 B6R0.3 C/C(=N/O)/C(F)F MCULE-3949329349 [0,2,0,0,0,0|0,1,1]=4 2526 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [0,2,0,0,0,0|2,0,0]=4 2527 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,2,0,0,0,0|0,0,2]=4 2528 B6R0.3 C=C(I)C(C)CI MCULE-8558127481 [0,2,0,0,0,0|1,1,0]=4 2529 B6R0.3 C=C(I)[C@H](C)CI MCULE-1089285398 [0,2,0,0,0,0|1,1,0]=4 2530 B6R0.3 C=C(I)[C@H](C)CI MCULE-5444456468 [0,2,0,0,0,0|1,1,0]=4 2531 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,2,0,0,0,0|1,0,1]=4 2532 B6R0.3 C=CC(C)C(C)C MCULE-4461669612 [0,2,0,0,0,0|2,0,0]=4 2533 B6R0.3 C=CC(C)C(C)O MCULE-5639096655 [0,2,0,0,0,0|1,0,0]=3 2534 B6R0.3 C=CC(O)C(C)C MCULE-2504249276 [0,2,0,0,0,0|1,0,1]=4 2535 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,2,0,0,0,0|1,0,1]=4 2536 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-1946110265 [0,2,0,0,0,0|1,0,0]=3 2537 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-2042493608 [0,2,0,0,0,0|1,0,0]=3 2538 B6R0.3 C=C[C@@H](C)[C@H](C)O MCULE-1482556738 [0,2,0,0,0,0|1,0,0]=3 2539 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,2,0,0,0,0|1,0,1]=4 2540 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,2,0,0,0,0|1,0,1]=4 2541 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,2,0,0,0,0|1,0,1]=4 2542 B6R0.3 C=C[C@H](C)[C@@H](C)O MCULE-4591189626 [0,2,0,0,0,0|1,0,0]=3 2543 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2180884086 [0,2,0,0,0,0|1,0,0]=3 2544 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2347920403 [0,2,0,0,0,0|1,0,0]=3 2545 B6R0.3 CC(=C(Br)CBr)C MCULE-2575044530 [0,2,0,0,0,0|1,0,1]=4 2546 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [0,2,0,0,0,0|0,0,2]=4 2547 B6R0.3 CC(=NO)C(F)F MCULE-8246122811 [0,2,0,0,0,0|0,1,1]=4 2548 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [0,2,0,0,0,0|0,0,2]=4 2549 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [0,2,0,0,0,0|0,0,2]=4 2550 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,2,0,0,0,0|1,0,1]=4 2551 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,2,0,0,0,0|2,0,0]=4 2552 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,2,0,0,0,0|2,0,0]=4 2553 B6R0.3 CC(Br)C(O)C#N MCULE-5520123598 [0,2,0,0,0,0|0,0,1]=3 2554 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,2,0,0,0,0|1,0,1]=4 2555 B6R0.3 CC(C)C(=O)CBr MCULE-5913227185 [0,2,0,0,0,0|1,0,0]=3 2556 B6R0.3 CC(C)C(=O)CCl MCULE-4093256141 [0,2,0,0,0,0|1,1,0]=4 2557 B6R0.3 CC(C)C(=O)CN MCULE-6091425997 [0,2,0,0,0,0|2,0,0]=4 2558 B6R0.3 CC(C)C(=O)CN MCULE-7368122425 [0,2,0,0,0,0|2,0,0]=4 2559 B6R0.3 CC(C)C(=O)CO MCULE-8746789873 [0,2,0,0,0,0|2,0,0]=4 2560 B6R0.3 CC(C)C(Br)C#N MCULE-3045325666 [0,2,0,0,0,0|1,0,0]=3 2561 B6R0.3 CC(C)C(Br)C=O MCULE-2054791376 [0,2,0,0,0,0|1,0,0]=3 2562 B6R0.3 CC(C)C(C)CBr MCULE-4323135623 [0,2,0,0,0,0|1,0,0]=3 2563 B6R0.3 CC(C)C(C)CN MCULE-1011041652 [0,2,0,0,0,0|2,0,0]=4 2564 B6R0.3 CC(C)C(C)CN MCULE-5682817467 [0,2,0,0,0,0|2,0,0]=4 2565 B6R0.3 CC(C)C(C)CO MCULE-7008552664 [0,2,0,0,0,0|1,0,0]=3 2566 B6R0.3 CC(C)C(C)NN MCULE-3145633578 [0,2,0,0,0,0|2,0,0]=4 2567 B6R0.3 CC(C)C(C)NN MCULE-5160672778 [0,2,0,0,0,0|2,0,0]=4 2568 B6R0.3 CC(C)C(C)NN MCULE-7702836838 [0,2,0,0,0,0|2,0,0]=4 2569 B6R0.3 CC(C)C(Cl)C#N MCULE-5102063658 [0,2,0,0,0,0|1,1,0]=4 2570 B6R0.3 CC(C)C(N)C#N MCULE-5486541909 [0,2,0,0,0,0|2,0,0]=4 2571 B6R0.3 CC(C)C(N)C#N MCULE-6250354053 [0,2,0,0,0,0|2,0,0]=4 2572 B6R0.3 CC(C)C(N)CF MCULE-4101575579 [0,2,0,0,0,0|1,1,0]=4 2573 B6R0.3 CC(C)C(N)CF MCULE-4888178244 [0,2,0,0,0,0|1,1,0]=4 2574 B6R0.3 CC(C)C(N)CN MCULE-3414430422 [0,2,0,0,0,0|2,0,0]=4 2575 B6R0.3 CC(C)C(N)CN MCULE-5279153780 [0,2,0,0,0,0|2,0,0]=4 2576 B6R0.3 CC(C)C(N)CO MCULE-2361921763 [0,2,0,0,0,0|2,0,0]=4 2577 B6R0.3 CC(C)C(N)CO MCULE-2989454077 [0,2,0,0,0,0|2,0,0]=4 2578 B6R0.3 CC(C)C(N)CO MCULE-9793548365 [0,2,0,0,0,0|2,0,0]=4 2579 B6R0.3 CC(C)C(O)C#N MCULE-1764798154 [0,2,0,0,0,0|1,0,1]=4 2580 B6R0.3 CC(C)C(O)CBr MCULE-1921145212 [0,2,0,0,0,0|0,0,0]=2 2581 B6R0.3 CC(C)C(O)CCl MCULE-7270676495 [0,2,0,0,0,0|0,1,0]=3 2582 B6R0.3 CC(C)C(O)CN MCULE-3560246402 [0,2,0,0,0,0|1,0,0]=3 2583 B6R0.3 CC(C)C(O)CN MCULE-9420842607 [0,2,0,0,0,0|1,0,0]=3 2584 B6R0.3 CC(C)C(O)CO MCULE-6069815474 [0,2,0,0,0,0|1,0,0]=3 2585 B6R0.3 CC(C)C(S)CO MCULE-1903780493 [0,2,0,0,0,0|1,1,0]=4 2586 B6R0.3 CC(C)[C@@H](C)CO MCULE-4943691177 [0,2,0,0,0,0|1,0,0]=3 2587 B6R0.3 CC(C)[C@@H](C)CO MCULE-6583781047 [0,2,0,0,0,0|1,0,0]=3 2588 B6R0.3 CC(C)[C@@H](N)C#N MCULE-3710740145 [0,2,0,0,0,0|2,0,0]=4 2589 B6R0.3 CC(C)[C@@H](N)C#N MCULE-6831295533 [0,2,0,0,0,0|2,0,0]=4 2590 B6R0.3 CC(C)[C@@H](N)CF MCULE-7429178470 [0,2,0,0,0,0|1,1,0]=4 2591 B6R0.3 CC(C)[C@@H](N)CF MCULE-7951488806 [0,2,0,0,0,0|1,1,0]=4 2592 B6R0.3 CC(C)[C@@H](N)CO MCULE-1135743088 [0,2,0,0,0,0|2,0,0]=4 2593 B6R0.3 CC(C)[C@@H](N)CO MCULE-3994511291 [0,2,0,0,0,0|2,0,0]=4 2594 B6R0.3 CC(C)[C@H](C)CO MCULE-9527582465 [0,2,0,0,0,0|1,0,0]=3 2595 B6R0.3 CC(C)[C@H](N)C#N MCULE-6519039369 [0,2,0,0,0,0|2,0,0]=4 2596 B6R0.3 CC(C)[C@H](N)C#N MCULE-8475611484 [0,2,0,0,0,0|2,0,0]=4 2597 B6R0.3 CC(C)[C@H](N)C=O MCULE-6686967175 [0,2,0,0,0,0|2,0,0]=4 2598 B6R0.3 CC(C)[C@H](N)CF MCULE-2978082368 [0,2,0,0,0,0|1,1,0]=4 2599 B6R0.3 CC(C)[C@H](N)CF MCULE-4609473233 [0,2,0,0,0,0|1,1,0]=4 2600 B6R0.3 CC(C)[C@H](N)CN MCULE-2884084983 [0,2,0,0,0,0|2,0,0]=4 2601 B6R0.3 CC(C)[C@H](N)CO MCULE-2625936994 [0,2,0,0,0,0|2,0,0]=4 2602 B6R0.3 CC(C)[C@H](N)CO MCULE-3229973889 [0,2,0,0,0,0|2,0,0]=4 2603 B6R0.3 CC(C)[C@H](N)CO MCULE-6090001117 [0,2,0,0,0,0|2,0,0]=4 2604 B6R0.3 CC(C)[C@H](N)CO MCULE-8284816696 [0,2,0,0,0,0|2,0,0]=4 2605 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,2,0,0,0,0|0,0,0]=2 2606 B6R0.3 CC(CCl)N(C)C MCULE-1058476958 [0,2,0,0,0,0|1,1,0]=4 2607 B6R0.3 CC(CCl)N(C)C MCULE-3515287037 [0,2,0,0,0,0|1,1,0]=4 2608 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,2,0,0,0,0|0,1,0]=3 2609 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,2,0,0,0,0|1,0,0]=3 2610 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,2,0,0,0,0|1,0,0]=3 2611 B6R0.3 CC(CN)C(F)F MCULE-3764511329 [0,2,0,0,0,0|1,1,0]=4 2612 B6R0.3 CC(CN)C(F)F MCULE-3885392808 [0,2,0,0,0,0|1,1,0]=4 2613 B6R0.3 CC(CN)N(C)C MCULE-1383449400 [0,2,0,0,0,0|2,0,0]=4 2614 B6R0.3 CC(CN)N(C)C MCULE-9891789912 [0,2,0,0,0,0|2,0,0]=4 2615 B6R0.3 CC(CN)S(=O)C MCULE-9048112625 [0,2,0,0,0,0|1,0,1]=4 2616 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,2,0,0,0,0|1,0,0]=3 2617 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,2,0,0,0,0|1,0,1]=4 2618 B6R0.3 CC(CO)N(=O)=O MCULE-5856696728 [0,2,0,0,0,0|1,0,1]=4 2619 B6R0.3 CC(CO)N(C)C MCULE-7300076854 [0,2,0,0,0,0|2,0,0]=4 2620 B6R0.3 CC(CO)N(C)N MCULE-8306784573 [0,2,0,0,0,0|2,0,0]=4 2621 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,2,0,0,0,0|1,0,0]=3 2622 B6R0.3 CC(Cl)C(O)CCl MCULE-5399761987 [0,2,0,0,0,0|0,1,0]=3 2623 B6R0.3 CC(N)C(C)CO MCULE-8179225289 [0,2,0,0,0,0|1,0,0]=3 2624 B6R0.3 CC(N)C(O)CO MCULE-8191126136 [0,2,0,0,0,0|1,0,0]=3 2625 B6R0.3 CC(O)/C(=N/O)/N MCULE-6135321689 [0,2,0,0,0,0|1,0,1]=4 2626 B6R0.3 CC(O)C(=O)NN MCULE-4510079670 [0,2,0,0,0,0|1,0,1]=4 2627 B6R0.3 CC(O)C(C)C#N MCULE-2580244921 [0,2,0,0,0,0|1,0,0]=3 2628 B6R0.3 CC(O)C(C)CN MCULE-5251700993 [0,2,0,0,0,0|1,0,0]=3 2629 B6R0.3 CC(O)C(C)CO MCULE-4061946423 [0,2,0,0,0,0|1,0,0]=3 2630 B6R0.3 CC(O)C(N)CN MCULE-2787573482 [0,2,0,0,0,0|1,0,0]=3 2631 B6R0.3 CC(O)C(N)CN MCULE-5330950433 [0,2,0,0,0,0|1,0,0]=3 2632 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [0,2,0,0,0,0|1,0,0]=3 2633 B6R0.3 CC(O)C(O)CN MCULE-6591390331 [0,2,0,0,0,0|1,0,0]=3 2634 B6R0.3 CC(O)C(O)CO MCULE-1795053551 [0,2,0,0,0,0|1,0,0]=3 2635 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,2,0,0,0,0|1,0,1]=4 2636 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,2,0,0,0,0|1,0,1]=4 2637 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,2,0,0,0,0|1,0,1]=4 2638 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,2,0,0,0,0|1,0,1]=4 2639 B6R0.3 CC(S)C(C)CO MCULE-5435813701 [0,2,0,0,0,0|1,0,0]=3 2640 B6R0.3 CCC(=O)C(C)Br MCULE-2803556971 [0,2,0,0,0,0|0,0,2]=4 2641 B6R0.3 CCC(=O)C(C)C MCULE-9576230007 [0,2,0,0,0,0|2,0,0]=4 2642 B6R0.3 CCC(=O)C(C)Cl MCULE-8346980404 [0,2,0,0,0,0|2,0,0]=4 2643 B6R0.3 CCC(=O)C(C)N MCULE-5434634349 [0,2,0,0,0,0|2,0,0]=4 2644 B6R0.3 CCC(=O)C(C)N MCULE-8408562669 [0,2,0,0,0,0|2,0,0]=4 2645 B6R0.3 CCC(=O)C(C)O MCULE-4144791660 [0,2,0,0,0,0|1,0,0]=3 2646 B6R0.3 CCC(=O)C(C)S MCULE-3934356624 [0,2,0,0,0,0|1,1,0]=4 2647 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,2,0,0,0,0|1,0,1]=4 2648 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,2,0,0,0,0|0,0,2]=4 2649 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,2,0,0,0,0|1,0,1]=4 2650 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [0,2,0,0,0,0|1,0,0]=3 2651 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [0,2,0,0,0,0|2,0,0]=4 2652 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [0,2,0,0,0,0|2,0,0]=4 2653 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,2,0,0,0,0|1,0,1]=4 2654 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,2,0,0,0,0|1,0,1]=4 2655 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,2,0,0,0,0|1,0,1]=4 2656 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,2,0,0,0,0|1,0,0]=3 2657 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,2,0,0,0,0|1,0,0]=3 2658 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [0,2,0,0,0,0|1,1,0]=4 2659 B6R0.3 CCC(C)C(C)Br MCULE-5368409335 [0,2,0,0,0,0|1,0,0]=3 2660 B6R0.3 CCC(C)C(C)C MCULE-9189749509 [0,2,0,0,0,0|2,0,0]=4 2661 B6R0.3 CCC(C)C(C)Cl MCULE-2663176330 [0,2,0,0,0,0|1,1,0]=4 2662 B6R0.3 CCC(C)C(C)N MCULE-1056466337 [0,2,0,0,0,0|2,0,0]=4 2663 B6R0.3 CCC(C)C(C)N MCULE-1503543126 [0,2,0,0,0,0|2,0,0]=4 2664 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [0,2,0,0,0,0|1,0,0]=3 2665 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,2,0,0,0,0|2,0,0]=4 2666 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,2,0,0,0,0|2,0,0]=4 2667 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,2,0,0,0,0|2,0,0]=4 2668 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,2,0,0,0,0|2,0,0]=4 2669 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,2,0,0,0,0|2,0,0]=4 2670 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,2,0,0,0,0|2,0,0]=4 2671 B6R0.3 CCC(N)C(C)C MCULE-3624338196 [0,2,0,0,0,0|2,0,0]=4 2672 B6R0.3 CCC(N)C(C)C MCULE-4491326477 [0,2,0,0,0,0|2,0,0]=4 2673 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [0,2,0,0,0,0|1,0,0]=3 2674 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [0,2,0,0,0,0|1,0,0]=3 2675 B6R0.3 CCC(N)C(F)F MCULE-3079670807 [0,2,0,0,0,0|1,1,0]=4 2676 B6R0.3 CCC(N)C(F)F MCULE-4157824434 [0,2,0,0,0,0|1,1,0]=4 2677 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,2,0,0,0,0|1,0,1]=4 2678 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,2,0,0,0,0|1,0,1]=4 2679 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,2,0,0,0,0|1,0,1]=4 2680 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,2,0,0,0,0|1,0,1]=4 2681 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,2,0,0,0,0|1,0,1]=4 2682 B6R0.3 CCC(O)C(C)C MCULE-1130775455 [0,2,0,0,0,0|1,0,0]=3 2683 B6R0.3 CCC(O)C(C)N MCULE-4027170059 [0,2,0,0,0,0|1,0,0]=3 2684 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [0,2,0,0,0,0|1,0,0]=3 2685 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,2,0,0,0,0|1,1,0]=4 2686 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,2,0,0,0,0|2,0,0]=4 2687 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,2,0,0,0,0|2,0,0]=4 2688 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,2,0,0,0,0|1,0,1]=4 2689 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,2,0,0,0,0|1,0,1]=4 2690 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,2,0,0,0,0|1,0,1]=4 2691 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,2,0,0,0,0|1,0,1]=4 2692 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,2,0,0,0,0|1,0,0]=3 2693 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,2,0,0,0,0|1,0,0]=3 2694 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,2,0,0,0,0|2,0,0]=4 2695 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,2,0,0,0,0|2,0,0]=4 2696 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,2,0,0,0,0|2,0,0]=4 2697 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,2,0,0,0,0|2,0,0]=4 2698 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,2,0,0,0,0|2,0,0]=4 2699 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,2,0,0,0,0|2,0,0]=4 2700 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [0,2,0,0,0,0|1,0,0]=3 2701 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [0,2,0,0,0,0|1,0,0]=3 2702 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,2,0,0,0,0|1,0,1]=4 2703 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,2,0,0,0,0|1,0,1]=4 2704 B6R0.3 CC[C@@H](O)C(C)C MCULE-3684327261 [0,2,0,0,0,0|1,0,0]=3 2705 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,2,0,0,0,0|1,0,1]=4 2706 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,2,0,0,0,0|1,0,1]=4 2707 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,2,0,0,0,0|1,0,0]=3 2708 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,2,0,0,0,0|1,0,0]=3 2709 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,2,0,0,0,0|2,0,0]=4 2710 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,2,0,0,0,0|2,0,0]=4 2711 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,2,0,0,0,0|2,0,0]=4 2712 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,2,0,0,0,0|2,0,0]=4 2713 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,2,0,0,0,0|2,0,0]=4 2714 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,2,0,0,0,0|2,0,0]=4 2715 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,2,0,0,0,0|2,0,0]=4 2716 B6R0.3 CC[C@H](N)C(C)C MCULE-3200638239 [0,2,0,0,0,0|2,0,0]=4 2717 B6R0.3 CC[C@H](N)C(C)C MCULE-4973720203 [0,2,0,0,0,0|2,0,0]=4 2718 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [0,2,0,0,0,0|1,0,0]=3 2719 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [0,2,0,0,0,0|1,0,0]=3 2720 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [0,2,0,0,0,0|1,0,0]=3 2721 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [0,2,0,0,0,0|1,0,0]=3 2722 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [0,2,0,0,0,0|1,0,0]=3 2723 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [0,2,0,0,0,0|1,0,0]=3 2724 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,2,0,0,0,0|1,0,1]=4 2725 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,2,0,0,0,0|1,0,1]=4 2726 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,2,0,0,0,0|1,0,1]=4 2727 B6R0.3 CC[C@H](O)C(C)C MCULE-9659963395 [0,2,0,0,0,0|1,0,0]=3 2728 B6R0.3 CN(C)C(=O)CBr MCULE-8318415267 [0,2,0,0,0,0|0,0,2]=4 2729 B6R0.3 CN(O)C(=O)CN MCULE-6904940710 [0,2,0,0,0,0|2,0,0]=4 2730 B6R0.3 CN(O)C(=O)CN MCULE-7352809793 [0,2,0,0,0,0|2,0,0]=4 2731 B6R0.3 CNC(=O)C(C)Br MCULE-8111267694 [0,2,0,0,0,0|0,0,2]=4 2732 B6R0.3 CNC(=O)C(C)O MCULE-4714977257 [0,2,0,0,0,0|1,0,1]=4 2733 B6R0.3 CNC(=O)C(F)Br MCULE-5286609999 [0,2,0,0,0,0|0,0,2]=4 2734 B6R0.3 CNC(=O)[C@@H](C)O MCULE-8955033466 [0,2,0,0,0,0|1,0,1]=4 2735 B6R0.3 CNC(=O)[C@H](C)O MCULE-8015727044 [0,2,0,0,0,0|1,0,1]=4 2736 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,2,0,0,0,0|2,0,0]=4 2737 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,2,0,0,0,0|2,0,0]=4 2738 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,2,0,0,0,0|2,0,0]=4 2739 B6R0.3 CNC(C)C(C)C MCULE-3041212030 [0,2,0,0,0,0|2,0,0]=4 2740 B6R0.3 CNC(C)C(C)C MCULE-7052543779 [0,2,0,0,0,0|2,0,0]=4 2741 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,2,0,0,0,0|2,0,0]=4 2742 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,2,0,0,0,0|2,0,0]=4 2743 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,2,0,0,0,0|2,0,0]=4 2744 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,2,0,0,0,0|2,0,0]=4 2745 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,2,0,0,0,0|2,0,0]=4 2746 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,2,0,0,0,0|2,0,0]=4 2747 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,2,0,0,0,0|2,0,0]=4 2748 B6R0.3 COC(=O)C(Br)Br MCULE-7917032365 [0,2,0,0,0,0|0,0,2]=4 2749 B6R0.3 COC(=O)C(C)Br MCULE-8218697195 [0,2,0,0,0,0|0,0,2]=4 2750 B6R0.3 COC(=O)C(C)O MCULE-7040827393 [0,2,0,0,0,0|1,0,1]=4 2751 B6R0.3 COC(=O)C(C)O MCULE-7872489483 [0,2,0,0,0,0|1,0,1]=4 2752 B6R0.3 COC(=O)[C@@H](C)Br MCULE-8118895575 [0,2,0,0,0,0|0,0,2]=4 2753 B6R0.3 COC(=O)[C@@H](C)O MCULE-5441095431 [0,2,0,0,0,0|1,0,1]=4 2754 B6R0.3 COC(=O)[C@@H](C)O MCULE-6924152779 [0,2,0,0,0,0|1,0,1]=4 2755 B6R0.3 COC(=O)[C@H](C)O MCULE-2590929895 [0,2,0,0,0,0|1,0,1]=4 2756 B6R0.3 COC(=O)[C@H](C)O MCULE-3292709954 [0,2,0,0,0,0|1,0,1]=4 2757 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,2,0,0,0,0|0,0,2]=4 2758 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,2,0,0,0,0|1,0,1]=4 2759 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,2,0,0,0,0|1,0,1]=4 2760 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,2,0,0,0,0|1,0,1]=4 2761 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,2,0,0,0,0|1,0,1]=4 2762 B6R0.3 COC(C)C(=S)N MCULE-6827196665 [0,2,0,0,0,0|1,0,1]=4 2763 B6R0.3 COC(C)C(C)O MCULE-9844405908 [0,2,0,0,0,0|1,0,0]=3 2764 B6R0.3 COC(C)[C@@H](C)N MCULE-2029978265 [0,2,0,0,0,0|1,0,0]=3 2765 B6R0.3 COC(C)[C@@H](C)N MCULE-4755003017 [0,2,0,0,0,0|1,0,0]=3 2766 B6R0.3 COC(C)[C@@H](C)N MCULE-9820337483 [0,2,0,0,0,0|1,0,0]=3 2767 B6R0.3 COC(C)[C@@H](C)N MCULE-9820818995 [0,2,0,0,0,0|1,0,0]=3 2768 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,2,0,0,0,0|0,1,1]=4 2769 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,2,0,0,0,0|1,0,1]=4 2770 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,2,0,0,0,0|1,0,1]=4 2771 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,2,0,0,0,0|1,0,1]=4 2772 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,2,0,0,0,0|1,0,1]=4 2773 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,2,0,0,0,0|2,0,0]=4 2774 B6R0.3 CSC(C)C(C)O MCULE-9554880840 [0,2,0,0,0,0|1,0,0]=3 2775 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,2,0,0,0,0|1,0,0]=3 2776 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,2,0,0,0,0|1,0,0]=3 2777 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,2,0,0,0,0|1,0,0]=3 2778 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,2,0,0,0,0|1,0,0]=3 2779 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,2,0,0,0,0|1,0,0]=3 2780 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,2,0,0,0,0|1,0,0]=3 2781 B6R0.3 C[C@@H](CO)N(C)C MCULE-4388248602 [0,2,0,0,0,0|2,0,0]=4 2782 B6R0.3 C[C@@H](CS)N(C)C MCULE-7111398165 [0,2,0,0,0,0|2,0,0]=4 2783 B6R0.3 C[C@@H](F)[C@@H](F)CN MCULE-9285557840 [0,2,0,0,0,0|1,1,0]=4 2784 B6R0.3 C[C@@H](F)[C@H](F)CN MCULE-9353092073 [0,2,0,0,0,0|1,1,0]=4 2785 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [0,2,0,0,0,0|1,0,0]=3 2786 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [0,2,0,0,0,0|1,0,0]=3 2787 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [0,2,0,0,0,0|1,0,0]=3 2788 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [0,2,0,0,0,0|1,0,0]=3 2789 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [0,2,0,0,0,0|1,0,0]=3 2790 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [0,2,0,0,0,0|1,0,0]=3 2791 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,2,0,0,0,0|1,0,1]=4 2792 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,2,0,0,0,0|1,0,1]=4 2793 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,2,0,0,0,0|1,0,0]=3 2794 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,2,0,0,0,0|1,0,0]=3 2795 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,2,0,0,0,0|1,0,0]=3 2796 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,2,0,0,0,0|1,0,0]=3 2797 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,2,0,0,0,0|1,0,0]=3 2798 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,2,0,0,0,0|1,0,0]=3 2799 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,2,0,0,0,0|1,0,1]=4 2800 B6R0.3 C[C@H](N)C(=O)CCl MCULE-1387458909 [0,2,0,0,0,0|1,1,0]=4 2801 B6R0.3 C[C@H](N)C(=O)CCl MCULE-3307546885 [0,2,0,0,0,0|1,1,0]=4 2802 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [0,2,0,0,0,0|1,0,0]=3 2803 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [0,2,0,0,0,0|1,0,0]=3 2804 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [0,2,0,0,0,0|1,0,0]=3 2805 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [0,2,0,0,0,0|1,0,0]=3 2806 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [0,2,0,0,0,0|1,0,0]=3 2807 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,2,0,0,0,0|1,0,1]=4 2808 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,2,0,0,0,0|1,0,1]=4 2809 B6R0.3 ClCC(Cl)C(Cl)Cl MCULE-6272586982 [0,2,0,0,0,0|1,1,0]=4 2810 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [0,2,0,0,0,0|1,0,1]=4 2811 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,2,0,0,0,0|1,1,0]=4 2812 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,2,0,0,0,0|1,1,0]=4 2813 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,2,0,0,0,0|1,1,0]=4 2814 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,2,0,0,0,0|1,1,0]=4 2815 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,2,0,0,0,0|2,0,0]=4 2816 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,2,0,0,0,0|2,0,0]=4 2817 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,2,0,0,0,0|2,0,0]=4 2818 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,2,0,0,0,0|2,0,0]=4 2819 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,2,0,0,0,0|2,0,0]=4 2820 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,2,0,0,0,0|2,0,0]=4 2821 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,2,0,0,0,0|1,0,1]=4 2822 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,2,0,0,0,0|1,0,1]=4 2823 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,2,0,0,0,0|2,0,0]=4 2824 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,2,0,0,0,0|2,0,0]=4 2825 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,2,0,0,0,0|2,0,0]=4 2826 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,2,0,0,0,0|2,0,0]=4 2827 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,2,0,0,0,0|2,0,0]=4 2828 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,2,0,0,0,0|2,0,0]=4 2829 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,2,0,0,0,0|2,0,0]=4 2830 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,2,0,0,0,0|1,0,1]=4 2831 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,2,0,0,0,0|1,0,1]=4 2832 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,2,0,0,0,0|1,0,1]=4 2833 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,2,0,0,0,0|1,0,1]=4 2834 B6R0.3 NCC(O)C(F)F MCULE-3263599594 [0,2,0,0,0,0|0,1,0]=3 2835 B6R0.3 NCC(O)C(F)F MCULE-6925242752 [0,2,0,0,0,0|0,1,0]=3 2836 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,2,0,0,0,0|2,0,0]=4 2837 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,2,0,0,0,0|2,0,0]=4 2838 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,2,0,0,0,0|2,0,0]=4 2839 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,2,0,0,0,0|2,0,0]=4 2840 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,2,0,0,0,0|2,0,0]=4 2841 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,2,0,0,0,0|2,0,0]=4 2842 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,2,0,0,0,0|2,0,0]=4 2843 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,2,0,0,0,0|1,0,1]=4 2844 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,2,0,0,0,0|1,0,1]=4 2845 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,2,0,0,0,0|2,0,0]=4 2846 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,2,0,0,0,0|2,0,0]=4 2847 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,2,0,0,0,0|2,0,0]=4 2848 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,2,0,0,0,0|2,0,0]=4 2849 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,2,0,0,0,0|2,0,0]=4 2850 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,2,0,0,0,0|2,0,0]=4 2851 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,2,0,0,0,0|2,0,0]=4 2852 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,2,0,0,0,0|2,0,0]=4 2853 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,2,0,0,0,0|2,0,0]=4 2854 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,2,0,0,0,0|2,0,0]=4 2855 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,2,0,0,0,0|1,0,1]=4 2856 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,2,0,0,0,0|1,0,1]=4 2857 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,2,0,0,0,0|1,1,0]=4 2858 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,2,0,0,0,0|1,1,0]=4 2859 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,2,0,0,0,0|1,1,0]=4 2860 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,2,0,0,0,0|1,1,0]=4 2861 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,2,0,0,0,0|2,0,0]=4 2862 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,2,0,0,0,0|2,0,0]=4 2863 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,2,0,0,0,0|2,0,0]=4 2864 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,2,0,0,0,0|2,0,0]=4 2865 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,2,0,0,0,0|2,0,0]=4 2866 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,2,0,0,0,0|2,0,0]=4 2867 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,2,0,0,0,0|2,0,0]=4 2868 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,2,0,0,0,0|2,0,0]=4 2869 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,2,0,0,0,0|1,1,0]=4 2870 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,2,0,0,0,0|1,1,0]=4 2871 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,2,0,0,0,0|1,1,0]=4 2872 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,2,0,0,0,0|1,1,0]=4 2873 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,2,0,0,0,0|1,1,0]=4 2874 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,2,0,0,0,0|1,1,0]=4 2875 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,2,0,0,0,0|2,0,0]=4 2876 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,2,0,0,0,0|2,0,0]=4 2877 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,2,0,0,0,0|2,0,0]=4 2878 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,2,0,0,0,0|2,0,0]=4 2879 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,2,0,0,0,0|2,0,0]=4 2880 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,2,0,0,0,0|2,0,0]=4 2881 B6R0.3 O=C(CBr)C(Br)Br MCULE-6224408372 [0,2,0,0,0,0|0,0,2]=4 2882 B6R0.3 O=C(CBr)C(F)F MCULE-3084968547 [0,2,0,0,0,0|0,0,2]=4 2883 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [0,2,0,0,0,0|1,0,1]=4 2884 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,2,0,0,0,0|1,0,1]=4 2885 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,2,0,0,0,0|1,0,0]=3 2886 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,2,0,0,0,0|1,0,1]=4 2887 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,2,0,0,0,0|1,0,1]=4 2888 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,2,0,0,0,0|1,1,0]=4 2889 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,2,0,0,0,0|2,0,0]=4 2890 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,2,0,0,0,0|1,1,0]=4 2891 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,2,0,0,0,0|0,0,1]=3 2892 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,2,0,0,0,0|0,1,1]=4 2893 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,2,0,0,0,0|1,0,1]=4 2894 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,2,0,0,0,0|1,0,1]=4 2895 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,2,0,0,0,0|1,0,1]=4 2896 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,2,0,0,0,0|0,1,1]=4 2897 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,2,0,0,0,0|1,0,1]=4 2898 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,2,0,0,0,0|1,0,1]=4 2899 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,2,0,0,0,0|1,0,1]=4 2900 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,2,0,0,0,0|1,0,1]=4 2901 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,2,0,0,0,0|0,1,1]=4 2902 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,2,0,0,0,0|1,0,1]=4 2903 B6R0.3 OC(CBr)C(F)F MCULE-2512834773 [0,2,0,0,0,0|0,0,0]=2 2904 B6R0.3 OC[C@@H](O)C(F)F MCULE-5042610356 [0,2,0,0,0,0|0,1,0]=3 2905 B6R0.3 OC[C@@H](O)C(F)F MCULE-8643910063 [0,2,0,0,0,0|0,1,0]=3 2906 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,2,0,0,0,0|2,0,0]=4 2907 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,2,0,0,0,0|2,0,0]=4 2908 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,2,0,0,0,0|2,0,0]=4 2909 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,2,0,0,0,0|2,0,0]=4 2910 B6R0.4 C#CCCC(C)C MCULE-9613694830 [0,2,0,0,0,0|2,0,0]=4 2911 B6R0.4 C#CCCC(C)O MCULE-1476308263 [0,2,0,0,0,0|1,0,0]=3 2912 B6R0.4 C#CCNC(C)C MCULE-6517958599 [0,2,0,0,0,0|2,0,0]=4 2913 B6R0.4 C#CCNC(C)C MCULE-7459223609 [0,2,0,0,0,0|2,0,0]=4 2914 B6R0.4 C#CCOC(C)C MCULE-3111253071 [0,2,0,0,0,0|2,0,0]=4 2915 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [0,2,0,0,0,0|1,0,1]=4 2916 B6R0.4 C=CCCC(C)Br MCULE-5841356762 [0,2,0,0,0,0|2,0,0]=4 2917 B6R0.4 C=CCCC(C)C MCULE-7128249655 [0,2,0,0,0,0|2,0,0]=4 2918 B6R0.4 C=CCCC(C)O MCULE-3388106789 [0,2,0,0,0,0|1,0,0]=3 2919 B6R0.4 C=CCC[C@@H](C)O MCULE-1272820385 [0,2,0,0,0,0|1,0,0]=3 2920 B6R0.4 C=CCC[C@@H](C)O MCULE-8509867177 [0,2,0,0,0,0|1,0,0]=3 2921 B6R0.4 C=CCC[C@H](C)O MCULE-4371391667 [0,2,0,0,0,0|1,0,0]=3 2922 B6R0.4 C=CCNC(C)C MCULE-1450045891 [0,2,0,0,0,0|2,0,0]=4 2923 B6R0.4 C=CCNC(C)C MCULE-3261189096 [0,2,0,0,0,0|2,0,0]=4 2924 B6R0.4 C=CCNC(C)C MCULE-4894255968 [0,2,0,0,0,0|2,0,0]=4 2925 B6R0.4 C=COCC(C)C MCULE-7268141053 [0,2,0,0,0,0|2,0,0]=4 2926 B6R0.4 CC(=CCCBr)C MCULE-9403575147 [0,2,0,0,0,0|1,0,1]=4 2927 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [0,2,0,0,0,0|0,0,2]=4 2928 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [0,2,0,0,0,0|0,0,2]=4 2929 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [0,2,0,0,0,0|0,0,2]=4 2930 B6R0.4 CC(Br)CCC#N MCULE-7424967519 [0,2,0,0,0,0|2,0,0]=4 2931 B6R0.4 CC(Br)CCCBr MCULE-8808667049 [0,2,0,0,0,0|1,0,0]=3 2932 B6R0.4 CC(C)C=CCBr MCULE-9812152361 [0,2,0,0,0,0|1,0,0]=3 2933 B6R0.4 CC(C)CCC#N MCULE-5503038837 [0,2,0,0,0,0|2,0,0]=4 2934 B6R0.4 CC(C)CCC=O MCULE-9664145623 [0,2,0,0,0,0|2,0,0]=4 2935 B6R0.4 CC(C)CCCBr MCULE-2045625937 [0,2,0,0,0,0|1,0,0]=3 2936 B6R0.4 CC(C)CCCCl MCULE-4841628592 [0,2,0,0,0,0|1,1,0]=4 2937 B6R0.4 CC(C)CCCI MCULE-4035616717 [0,2,0,0,0,0|1,1,0]=4 2938 B6R0.4 CC(C)CCCN MCULE-2232715676 [0,2,0,0,0,0|2,0,0]=4 2939 B6R0.4 CC(C)CCCN MCULE-7121372197 [0,2,0,0,0,0|2,0,0]=4 2940 B6R0.4 CC(C)CCCO MCULE-5797993948 [0,2,0,0,0,0|2,0,0]=4 2941 B6R0.4 CC(C)CCCS MCULE-8417191578 [0,2,0,0,0,0|2,0,0]=4 2942 B6R0.4 CC(C)CCNN MCULE-1163630283 [0,2,0,0,0,0|2,0,0]=4 2943 B6R0.4 CC(C)CCNN MCULE-2023326468 [0,2,0,0,0,0|2,0,0]=4 2944 B6R0.4 CC(C)CCNN MCULE-4572239737 [0,2,0,0,0,0|2,0,0]=4 2945 B6R0.4 CC(C)CCON MCULE-2653553816 [0,2,0,0,0,0|2,0,0]=4 2946 B6R0.4 CC(C)CCON MCULE-6468395078 [0,2,0,0,0,0|2,0,0]=4 2947 B6R0.4 CC(C)CN=C=O MCULE-3174970377 [0,2,0,0,0,0|2,0,0]=4 2948 B6R0.4 CC(C)CN=C=S MCULE-8043723276 [0,2,0,0,0,0|2,0,0]=4 2949 B6R0.4 CC(C)CN=N#N MCULE-3597135332 [0,2,0,0,0,0|2,0,0]=4 2950 B6R0.4 CC(C)CNC=O MCULE-2156996206 [0,2,0,0,0,0|2,0,0]=4 2951 B6R0.4 CC(C)COC=O MCULE-8234906771 [0,2,0,0,0,0|2,0,0]=4 2952 B6R0.4 CC(C)COCCl MCULE-2194640169 [0,2,0,0,0,0|1,1,0]=4 2953 B6R0.4 CC(C)CON=O MCULE-8394966903 [0,2,0,0,0,0|2,0,0]=4 2954 B6R0.4 CC(C)CSCCl MCULE-5218455619 [0,2,0,0,0,0|1,1,0]=4 2955 B6R0.4 CC(C)NCC#N MCULE-1545752174 [0,2,0,0,0,0|2,0,0]=4 2956 B6R0.4 CC(C)NCC#N MCULE-4381172074 [0,2,0,0,0,0|2,0,0]=4 2957 B6R0.4 CC(C)NCCCl MCULE-1521398137 [0,2,0,0,0,0|1,1,0]=4 2958 B6R0.4 CC(C)NCCCl MCULE-2586914937 [0,2,0,0,0,0|1,1,0]=4 2959 B6R0.4 CC(C)NCCN MCULE-1003086359 [0,2,0,0,0,0|2,0,0]=4 2960 B6R0.4 CC(C)NCCN MCULE-5066931507 [0,2,0,0,0,0|2,0,0]=4 2961 B6R0.4 CC(C)NCCO MCULE-1749029105 [0,2,0,0,0,0|2,0,0]=4 2962 B6R0.4 CC(C)OCC#N MCULE-4594795380 [0,2,0,0,0,0|2,0,0]=4 2963 B6R0.4 CC(C)OCC=O MCULE-5974054323 [0,2,0,0,0,0|2,0,0]=4 2964 B6R0.4 CC(C)OCCBr MCULE-8869065375 [0,2,0,0,0,0|1,0,0]=3 2965 B6R0.4 CC(C)OCCCl MCULE-3848763715 [0,2,0,0,0,0|1,1,0]=4 2966 B6R0.4 CC(C)OCCI MCULE-8259612531 [0,2,0,0,0,0|1,1,0]=4 2967 B6R0.4 CC(C)OCCN MCULE-6140628944 [0,2,0,0,0,0|2,0,0]=4 2968 B6R0.4 CC(C)OCCN MCULE-7438591135 [0,2,0,0,0,0|2,0,0]=4 2969 B6R0.4 CC(C)OCCN MCULE-7614115649 [0,2,0,0,0,0|2,0,0]=4 2970 B6R0.4 CC(C)OCCO MCULE-8766149613 [0,2,0,0,0,0|2,0,0]=4 2971 B6R0.4 CC(C)SCC#N MCULE-2685282403 [0,2,0,0,0,0|2,0,0]=4 2972 B6R0.4 CC(C)SCC=O MCULE-3174965592 [0,2,0,0,0,0|2,0,0]=4 2973 B6R0.4 CC(C)SCCCl MCULE-4991548042 [0,2,0,0,0,0|1,1,0]=4 2974 B6R0.4 CC(C)SCCN MCULE-2838203545 [0,2,0,0,0,0|2,0,0]=4 2975 B6R0.4 CC(C)SCCN MCULE-6551225219 [0,2,0,0,0,0|2,0,0]=4 2976 B6R0.4 CC(C)SCCO MCULE-1467015400 [0,2,0,0,0,0|2,0,0]=4 2977 B6R0.4 CC(Cl)CCC#N MCULE-2064174419 [0,2,0,0,0,0|2,0,0]=4 2978 B6R0.4 CC(Cl)CCCCl MCULE-9382073752 [0,2,0,0,0,0|1,1,0]=4 2979 B6R0.4 CC(Cl)CCCO MCULE-2554250532 [0,2,0,0,0,0|2,0,0]=4 2980 B6R0.4 CC(N)CCCN MCULE-4857113826 [0,2,0,0,0,0|2,0,0]=4 2981 B6R0.4 CC(N)CCCN MCULE-4899798325 [0,2,0,0,0,0|2,0,0]=4 2982 B6R0.4 CC(N)CCCO MCULE-6629535696 [0,2,0,0,0,0|2,0,0]=4 2983 B6R0.4 CC(O)CCC#N MCULE-6350143710 [0,2,0,0,0,0|1,0,0]=3 2984 B6R0.4 CC(O)CCCBr MCULE-5477662754 [0,2,0,0,0,0|0,0,0]=2 2985 B6R0.4 CC(O)CCCCl MCULE-6993728810 [0,2,0,0,0,0|0,1,0]=3 2986 B6R0.4 CC(O)CCCN MCULE-3754805134 [0,2,0,0,0,0|1,0,0]=3 2987 B6R0.4 CC(O)CCCO MCULE-6580326052 [0,2,0,0,0,0|1,0,0]=3 2988 B6R0.4 CC(O)CN=N#N MCULE-3020215858 [0,2,0,0,0,0|1,0,0]=3 2989 B6R0.4 CC=CCC(C)C MCULE-7145682250 [0,2,0,0,0,0|2,0,0]=4 2990 B6R0.4 CCC#CC(C)O MCULE-6395334377 [0,2,0,0,0,0|1,0,0]=3 2991 B6R0.4 CCCCC(C)Br MCULE-3252474574 [0,2,0,0,0,0|2,0,0]=4 2992 B6R0.4 CCCCC(C)C MCULE-7568461039 [0,2,0,0,0,0|2,0,0]=4 2993 B6R0.4 CCCCC(C)Cl MCULE-4825682003 [0,2,0,0,0,0|2,0,0]=4 2994 B6R0.4 CCCCC(C)N MCULE-5349371506 [0,2,0,0,0,0|2,0,0]=4 2995 B6R0.4 CCCCC(C)N MCULE-6696490028 [0,2,0,0,0,0|2,0,0]=4 2996 B6R0.4 CCCCC(C)O MCULE-6558228722 [0,2,0,0,0,0|1,0,0]=3 2997 B6R0.4 CCCCC(C)S MCULE-4791681848 [0,2,0,0,0,0|1,1,0]=4 2998 B6R0.4 CCCC[C@@H](C)N MCULE-2673058676 [0,2,0,0,0,0|2,0,0]=4 2999 B6R0.4 CCCC[C@@H](C)N MCULE-7666196055 [0,2,0,0,0,0|2,0,0]=4 3000 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [0,2,0,0,0,0|1,0,0]=3 3001 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [0,2,0,0,0,0|1,0,0]=3 3002 B6R0.4 CCCC[C@H](C)N MCULE-6212068145 [0,2,0,0,0,0|2,0,0]=4 3003 B6R0.4 CCCC[C@H](C)N MCULE-7818513999 [0,2,0,0,0,0|2,0,0]=4 3004 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [0,2,0,0,0,0|1,0,0]=3 3005 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [0,2,0,0,0,0|1,0,0]=3 3006 B6R0.4 CCCNC(C)C MCULE-7475023734 [0,2,0,0,0,0|2,0,0]=4 3007 B6R0.4 CCCSC(C)C MCULE-2233656285 [0,2,0,0,0,0|2,0,0]=4 3008 B6R0.4 CCN=CC(C)C MCULE-7306741362 [0,2,0,0,0,0|2,0,0]=4 3009 B6R0.4 CCNCC(C)C MCULE-1625905125 [0,2,0,0,0,0|2,0,0]=4 3010 B6R0.4 CCNCC(C)C MCULE-3527739859 [0,2,0,0,0,0|2,0,0]=4 3011 B6R0.4 CCNCC(C)O MCULE-5078068369 [0,2,0,0,0,0|1,0,0]=3 3012 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [0,2,0,0,0,0|1,0,0]=3 3013 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [0,2,0,0,0,0|1,0,0]=3 3014 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [0,2,0,0,0,0|1,0,0]=3 3015 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [0,2,0,0,0,0|1,0,0]=3 3016 B6R0.4 CCOCC(C)C MCULE-7986128672 [0,2,0,0,0,0|2,0,0]=4 3017 B6R0.4 CCOCC(C)N MCULE-8540668261 [0,2,0,0,0,0|2,0,0]=4 3018 B6R0.4 CCOCC(C)N MCULE-8720228996 [0,2,0,0,0,0|2,0,0]=4 3019 B6R0.4 CCOCC(C)O MCULE-6224339526 [0,2,0,0,0,0|1,0,0]=3 3020 B6R0.4 CCOC[C@@H](C)N MCULE-7053460047 [0,2,0,0,0,0|2,0,0]=4 3021 B6R0.4 CCOC[C@@H](C)N MCULE-9865800502 [0,2,0,0,0,0|2,0,0]=4 3022 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [0,2,0,0,0,0|1,0,0]=3 3023 B6R0.4 CCOC[C@H](C)N MCULE-2897416804 [0,2,0,0,0,0|2,0,0]=4 3024 B6R0.4 CCOC[C@H](C)N MCULE-6799267946 [0,2,0,0,0,0|2,0,0]=4 3025 B6R0.4 CCONC(C)C MCULE-2412572743 [0,2,0,0,0,0|2,0,0]=4 3026 B6R0.4 CCONC(C)C MCULE-9246196365 [0,2,0,0,0,0|2,0,0]=4 3027 B6R0.4 CCSCC(C)N MCULE-3399255190 [0,2,0,0,0,0|2,0,0]=4 3028 B6R0.4 CN(C)CCCBr MCULE-2862944726 [0,2,0,0,0,0|2,0,0]=4 3029 B6R0.4 CN(C)CCCBr MCULE-4596026048 [0,2,0,0,0,0|2,0,0]=4 3030 B6R0.4 CN(C)CCCBr MCULE-7515880350 [0,2,0,0,0,0|2,0,0]=4 3031 B6R0.4 CNCCC(C)C MCULE-3679914556 [0,2,0,0,0,0|2,0,0]=4 3032 B6R0.4 CNCCC(C)C MCULE-9679972004 [0,2,0,0,0,0|2,0,0]=4 3033 B6R0.4 CNCCC(C)N MCULE-5955505029 [0,2,0,0,0,0|2,0,0]=4 3034 B6R0.4 CNCCC(C)N MCULE-8933967952 [0,2,0,0,0,0|2,0,0]=4 3035 B6R0.4 CNCCC(C)O MCULE-1615526002 [0,2,0,0,0,0|1,0,0]=3 3036 B6R0.4 CNCC[C@@H](C)N MCULE-6024494304 [0,2,0,0,0,0|2,0,0]=4 3037 B6R0.4 CNCC[C@H](C)N MCULE-5449372796 [0,2,0,0,0,0|2,0,0]=4 3038 B6R0.4 CNCC[C@H](C)N MCULE-8157402351 [0,2,0,0,0,0|2,0,0]=4 3039 B6R0.4 CNOCC(C)C MCULE-4779196887 [0,2,0,0,0,0|2,0,0]=4 3040 B6R0.4 CNOCC(C)C MCULE-7320343096 [0,2,0,0,0,0|2,0,0]=4 3041 B6R0.4 COCCC(C)Br MCULE-6529807745 [0,2,0,0,0,0|2,0,0]=4 3042 B6R0.4 COCCC(C)C MCULE-8727768886 [0,2,0,0,0,0|2,0,0]=4 3043 B6R0.4 COCCC(C)N MCULE-6183216923 [0,2,0,0,0,0|2,0,0]=4 3044 B6R0.4 COCCC(C)O MCULE-6536001437 [0,2,0,0,0,0|1,0,0]=3 3045 B6R0.4 COCC[C@H](C)N MCULE-6163336851 [0,2,0,0,0,0|2,0,0]=4 3046 B6R0.4 COCC[C@H](C)N MCULE-6363449253 [0,2,0,0,0,0|2,0,0]=4 3047 B6R0.4 CSCCC(C)N MCULE-3925048385 [0,2,0,0,0,0|2,0,0]=4 3048 B6R0.4 CSCCC(C)O MCULE-5934844952 [0,2,0,0,0,0|1,0,0]=3 3049 B6R0.4 C[C@@H](N)CCCO MCULE-8313291415 [0,2,0,0,0,0|2,0,0]=4 3050 B6R0.4 C[C@@H](N)CN=[N+]=[N-] MCULE-5271102998 [0,2,0,0,0,0|2,0,0]=4 3051 B6R0.4 C[C@@H](N)CN=[N+]=[N-] MCULE-8032411746 [0,2,0,0,0,0|2,0,0]=4 3052 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [0,2,0,0,0,0|1,0,0]=3 3053 B6R0.4 C[C@H](N)CN=[N+]=[N-] MCULE-1080559666 [0,2,0,0,0,0|2,0,0]=4 3054 B6R0.4 C[C@H](N)CN=[N+]=[N-] MCULE-7386732924 [0,2,0,0,0,0|2,0,0]=4 3055 B6R0.4 FC(F)CCCBr MCULE-1364730558 [0,2,0,0,0,0|2,0,0]=4 3056 B6R0.4 FC(F)OCCBr MCULE-8028905013 [0,2,0,0,0,0|2,0,0]=4 3057 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [0,2,0,0,0,0|1,0,1]=4 3058 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [0,2,0,0,0,0|1,0,1]=4 3059 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [0,2,0,0,0,0|1,0,1]=4 3060 B6R0.5 C#CCC(C)(C)C MCULE-5205001750 [0,2,0,0,0,0|2,0,0]=4 3061 B6R0.5 C#CCC(C)(C)O MCULE-6680730908 [0,2,0,0,0,0|1,0,0]=3 3062 B6R0.5 C=CCC(C)(C)C MCULE-1992751113 [0,2,0,0,0,0|2,0,0]=4 3063 B6R0.5 C=CCC(C)(C)N MCULE-5186161263 [0,2,0,0,0,0|2,0,0]=4 3064 B6R0.5 C=CCC(C)(C)N MCULE-6288336754 [0,2,0,0,0,0|2,0,0]=4 3065 B6R0.5 C=CCC(C)(C)O MCULE-3560651758 [0,2,0,0,0,0|1,0,0]=3 3066 B6R0.5 CC#CC(C)(C)O MCULE-8572511684 [0,2,0,0,0,0|1,0,1]=4 3067 B6R0.5 CC(C)(Br)CCBr MCULE-9461856185 [0,2,0,0,0,0|1,0,0]=3 3068 B6R0.5 CC(C)(C)CC#N MCULE-6975965361 [0,2,0,0,0,0|2,0,0]=4 3069 B6R0.5 CC(C)(C)CC=O MCULE-6726853595 [0,2,0,0,0,0|2,0,0]=4 3070 B6R0.5 CC(C)(C)CCBr MCULE-6591692767 [0,2,0,0,0,0|1,0,0]=3 3071 B6R0.5 CC(C)(C)CCCl MCULE-6806888253 [0,2,0,0,0,0|1,1,0]=4 3072 B6R0.5 CC(C)(C)CCI MCULE-5455265220 [0,2,0,0,0,0|1,1,0]=4 3073 B6R0.5 CC(C)(C)CCN MCULE-6905943138 [0,2,0,0,0,0|2,0,0]=4 3074 B6R0.5 CC(C)(C)CCN MCULE-9954564734 [0,2,0,0,0,0|2,0,0]=4 3075 B6R0.5 CC(C)(C)CCO MCULE-3121776589 [0,2,0,0,0,0|2,0,0]=4 3076 B6R0.5 CC(C)(C)CNN MCULE-3729898632 [0,2,0,0,0,0|2,0,0]=4 3077 B6R0.5 CC(C)(C)CNN MCULE-7338301070 [0,2,0,0,0,0|2,0,0]=4 3078 B6R0.5 CC(C)(C)CNN MCULE-8350150213 [0,2,0,0,0,0|2,0,0]=4 3079 B6R0.5 CC(C)(C)CON MCULE-2962518041 [0,2,0,0,0,0|2,0,0]=4 3080 B6R0.5 CC(C)(C)CON MCULE-7840185186 [0,2,0,0,0,0|2,0,0]=4 3081 B6R0.5 CC(C)(Cl)CCCl MCULE-1702128758 [0,2,0,0,0,0|1,1,0]=4 3082 B6R0.5 CC(C)(F)CCN MCULE-8439738647 [0,2,0,0,0,0|2,0,0]=4 3083 B6R0.5 CC(C)(F)CCN MCULE-9182730805 [0,2,0,0,0,0|2,0,0]=4 3084 B6R0.5 CC(C)(F)CCO MCULE-7157649991 [0,2,0,0,0,0|2,0,0]=4 3085 B6R0.5 CC(C)(I)CCO MCULE-2114317591 [0,2,0,0,0,0|2,0,0]=4 3086 B6R0.5 CC(C)(N)CCN MCULE-3524950958 [0,2,0,0,0,0|2,0,0]=4 3087 B6R0.5 CC(C)(N)CCN MCULE-9689616736 [0,2,0,0,0,0|2,0,0]=4 3088 B6R0.5 CC(C)(N)CCO MCULE-2300724181 [0,2,0,0,0,0|2,0,0]=4 3089 B6R0.5 CC(C)(N)CCO MCULE-7470688556 [0,2,0,0,0,0|2,0,0]=4 3090 B6R0.5 CC(C)(N)CON MCULE-2272035336 [0,2,0,0,0,0|2,0,0]=4 3091 B6R0.5 CC(C)(O)C#CBr MCULE-9251959237 [0,2,0,0,0,0|0,0,1]=3 3092 B6R0.5 CC(C)(O)CC#N MCULE-9592545749 [0,2,0,0,0,0|1,0,0]=3 3093 B6R0.5 CC(C)(O)CCBr MCULE-5311251278 [0,2,0,0,0,0|0,0,0]=2 3094 B6R0.5 CC(C)(O)CCCl MCULE-2803507835 [0,2,0,0,0,0|0,1,0]=3 3095 B6R0.5 CC(C)(O)CCI MCULE-1822716730 [0,2,0,0,0,0|0,1,0]=3 3096 B6R0.5 CC(C)(O)CCN MCULE-1233177150 [0,2,0,0,0,0|1,0,0]=3 3097 B6R0.5 CC(C)(O)CCO MCULE-4723950851 [0,2,0,0,0,0|1,0,0]=3 3098 B6R0.5 CC(C)(O)CCS MCULE-5161173776 [0,2,0,0,0,0|1,0,0]=3 3099 B6R0.5 CC(C)(O)CNN MCULE-7127432403 [0,2,0,0,0,0|1,0,0]=3 3100 B6R0.5 CC(C)(O)CNN MCULE-8281516711 [0,2,0,0,0,0|1,0,0]=3 3101 B6R0.5 CC(C)(O)CON MCULE-1954965804 [0,2,0,0,0,0|1,0,0]=3 3102 B6R0.5 CC(C)(O)CON MCULE-9916686271 [0,2,0,0,0,0|1,0,0]=3 3103 B6R0.5 CC(C)(S)CCO MCULE-6218278668 [0,2,0,0,0,0|1,1,0]=4 3104 B6R0.5 CC(F)(F)CCBr MCULE-1559219051 [0,2,0,0,0,0|1,0,0]=3 3105 B6R0.5 CC(F)(F)CCN MCULE-2380721562 [0,2,0,0,0,0|2,0,0]=4 3106 B6R0.5 CC(F)(F)CCN MCULE-9299707465 [0,2,0,0,0,0|2,0,0]=4 3107 B6R0.5 CC(F)(F)CCO MCULE-6983720400 [0,2,0,0,0,0|2,0,0]=4 3108 B6R0.5 CC(F)(F)CNN MCULE-5004586108 [0,2,0,0,0,0|2,0,0]=4 3109 B6R0.5 CC(F)(F)CNN MCULE-9293337716 [0,2,0,0,0,0|2,0,0]=4 3110 B6R0.5 CC(F)(F)CON MCULE-6276721857 [0,2,0,0,0,0|2,0,0]=4 3111 B6R0.5 CC(F)(F)CON MCULE-9505701731 [0,2,0,0,0,0|2,0,0]=4 3112 B6R0.5 CCCC(C)(C)C MCULE-2309229328 [0,2,0,0,0,0|2,0,0]=4 3113 B6R0.5 CCCC(C)(C)Cl MCULE-1426018824 [0,2,0,0,0,0|2,0,0]=4 3114 B6R0.5 CCCC(C)(C)N MCULE-2670535144 [0,2,0,0,0,0|2,0,0]=4 3115 B6R0.5 CCCC(C)(C)N MCULE-4533125677 [0,2,0,0,0,0|2,0,0]=4 3116 B6R0.5 CCCC(C)(C)O MCULE-2647276101 [0,2,0,0,0,0|1,0,0]=3 3117 B6R0.5 CCNC(C)(C)C MCULE-3524637265 [0,2,0,0,0,0|2,0,0]=4 3118 B6R0.5 CCOC(C)(C)C MCULE-7572618089 [0,2,0,0,0,0|2,0,0]=4 3119 B6R0.5 CNCC(C)(C)C MCULE-5731586976 [0,2,0,0,0,0|2,0,0]=4 3120 B6R0.5 CNCC(C)(C)C MCULE-8355958420 [0,2,0,0,0,0|2,0,0]=4 3121 B6R0.5 CNCC(C)(C)F MCULE-3351208185 [0,2,0,0,0,0|2,0,0]=4 3122 B6R0.5 CNCC(C)(C)F MCULE-9594646068 [0,2,0,0,0,0|2,0,0]=4 3123 B6R0.5 CNCC(C)(C)O MCULE-8014545354 [0,2,0,0,0,0|1,0,0]=3 3124 B6R0.5 CNCC(C)(C)O MCULE-8693265107 [0,2,0,0,0,0|1,0,0]=3 3125 B6R0.5 COCC(C)(C)N MCULE-1332913947 [0,2,0,0,0,0|2,0,0]=4 3126 B6R0.5 COCC(C)(C)N MCULE-9588666609 [0,2,0,0,0,0|2,0,0]=4 3127 B6R0.5 COCC(C)(C)O MCULE-2480013758 [0,2,0,0,0,0|1,0,0]=3 3128 B6R0.5 CS(=O)(=O)CCBr MCULE-8646670232 [0,2,0,0,0,0|1,0,1]=4 3129 B6R0.5 CS(=O)(=S)OCBr MCULE-7749578002 [0,2,0,0,0,0|1,0,1]=4 3130 B6R0.5 CSCC(C)(C)N MCULE-9697189381 [0,2,0,0,0,0|2,0,0]=4 3131 B6R0.5 C[N+](C)(C)CCBr MCULE-2368072196 [0,2,0,0,0,0|2,0,0]=4 3132 B6R0.5 C[N+](C)(C)CCBr MCULE-5324488073 [0,2,0,0,0,0|2,0,0]=4 3133 B6R0.5 C[Si](C)(C)CCBr MCULE-6991513303 [0,2,0,0,0,0|1,1,0]=4 3134 B6R0.5 ClC(Cl)(Cl)CCBr MCULE-6620917618 [0,2,0,0,0,0|2,0,0]=4 3135 B6R0.5 FC(F)(F)CCBr MCULE-3423890525 [0,2,0,0,0,0|2,0,0]=4 3136 B6R0.5 O=P(O)(O)CCBr MCULE-3355549967 [0,2,0,0,0,0|2,0,0]=4 3137 B6R0.5 O=S(=O)(O)CCBr MCULE-3291252302 [0,2,0,0,0,0|2,0,0]=4 3138 B6R0.8 C#CC(C)(C)CBr MCULE-7064498873 [0,2,0,0,0,0|1,0,0]=3 3139 B6R0.8 C#CC(C)(C)CC MCULE-7048640910 [0,2,0,0,0,0|2,0,0]=4 3140 B6R0.8 C#CC(C)(C)CO MCULE-2912434983 [0,2,0,0,0,0|1,0,1]=4 3141 B6R0.8 C#CC(C)(C)OC MCULE-7238312592 [0,2,0,0,0,0|1,0,1]=4 3142 B6R0.8 C#CC(C)(N)CC MCULE-1327940404 [0,2,0,0,0,0|2,0,0]=4 3143 B6R0.8 C#CC(C)(N)CC MCULE-2834355427 [0,2,0,0,0,0|2,0,0]=4 3144 B6R0.8 C#CC(C)(N)CC MCULE-4013726030 [0,2,0,0,0,0|2,0,0]=4 3145 B6R0.8 C#CC(C)(N)CC MCULE-4630359970 [0,2,0,0,0,0|2,0,0]=4 3146 B6R0.8 C#CC(C)(O)C=C MCULE-9590615335 [0,2,0,0,0,0|1,0,1]=4 3147 B6R0.8 C#CC(C)(O)CC MCULE-6936841705 [0,2,0,0,0,0|1,0,0]=3 3148 B6R0.8 C=CC(C)(C)CN MCULE-8097307618 [0,2,0,0,0,0|2,0,0]=4 3149 B6R0.8 C=CC(C)(C)CO MCULE-8447675743 [0,2,0,0,0,0|1,0,1]=4 3150 B6R0.8 C=CC(C)(O)CBr MCULE-8151064620 [0,2,0,0,0,0|0,0,0]=2 3151 B6R0.8 C=CC(C)(O)CC MCULE-7004958709 [0,2,0,0,0,0|1,0,0]=3 3152 B6R0.8 C=CC(C)(O)CN MCULE-2921164232 [0,2,0,0,0,0|1,0,0]=3 3153 B6R0.8 CC(C)(C#N)CBr MCULE-3783365669 [0,2,0,0,0,0|1,0,0]=3 3154 B6R0.8 CC(C)(C#N)CCl MCULE-4466597930 [0,2,0,0,0,0|1,1,0]=4 3155 B6R0.8 CC(C)(C#N)CN MCULE-5152233975 [0,2,0,0,0,0|2,0,0]=4 3156 B6R0.8 CC(C)(C#N)CO MCULE-3713618417 [0,2,0,0,0,0|1,0,1]=4 3157 B6R0.8 CC(C)(C=O)CCl MCULE-4459822361 [0,2,0,0,0,0|0,1,1]=4 3158 B6R0.8 CC(C)(C=O)CF MCULE-7136604991 [0,2,0,0,0,0|0,1,1]=4 3159 B6R0.8 CC(C)(C=O)CI MCULE-4319040609 [0,2,0,0,0,0|0,1,1]=4 3160 B6R0.8 CC(C)(C=O)CO MCULE-9744921245 [0,2,0,0,0,0|1,0,1]=4 3161 B6R0.8 CC(C)(CBr)CBr MCULE-3867295521 [0,2,0,0,0,0|1,0,0]=3 3162 B6R0.8 CC(C)(CCl)CCl MCULE-4414378658 [0,2,0,0,0,0|1,1,0]=4 3163 B6R0.8 CC(C)(CN)CF MCULE-4530368386 [0,2,0,0,0,0|1,1,0]=4 3164 B6R0.8 CC(C)(CN)CF MCULE-7783060235 [0,2,0,0,0,0|1,1,0]=4 3165 B6R0.8 CC(C)(CN)CN MCULE-6969888863 [0,2,0,0,0,0|2,0,0]=4 3166 B6R0.8 CC(C)(CN)CO MCULE-5342400231 [0,2,0,0,0,0|1,0,0]=3 3167 B6R0.8 CC(C)(CO)CBr MCULE-5392401561 [0,2,0,0,0,0|0,0,0]=2 3168 B6R0.8 CC(C)(CO)CCl MCULE-4674403441 [0,2,0,0,0,0|0,1,0]=3 3169 B6R0.8 CC(C)(CO)CF MCULE-4462488929 [0,2,0,0,0,0|0,1,0]=3 3170 B6R0.8 CC(C)(CO)CO MCULE-3663555151 [0,2,0,0,0,0|1,0,0]=3 3171 B6R0.8 CC(C)(CO)CS MCULE-2478254611 [0,2,0,0,0,0|1,0,0]=3 3172 B6R0.8 CC(C)(CO)ON MCULE-7229580612 [0,2,0,0,0,0|1,0,0]=3 3173 B6R0.8 CC(C)(CO)ON MCULE-9993526575 [0,2,0,0,0,0|1,0,0]=3 3174 B6R0.8 CC(F)(CO)CO MCULE-6086305692 [0,2,0,0,0,0|1,0,0]=3 3175 B6R0.8 CC(N)(C#N)CO MCULE-2492555292 [0,2,0,0,0,0|1,0,1]=4 3176 B6R0.8 CC(N)(CO)CO MCULE-6546409175 [0,2,0,0,0,0|1,0,0]=3 3177 B6R0.8 CC(O)(CN)CO MCULE-2184919268 [0,2,0,0,0,0|1,0,0]=3 3178 B6R0.8 CC(O)(CO)CO MCULE-5281000424 [0,2,0,0,0,0|1,0,0]=3 3179 B6R0.8 CCC(C)(Br)CC MCULE-6306783726 [0,2,0,0,0,0|2,0,0]=4 3180 B6R0.8 CCC(C)(C)C#N MCULE-9978530963 [0,2,0,0,0,0|2,0,0]=4 3181 B6R0.8 CCC(C)(C)C=O MCULE-4902007320 [0,2,0,0,0,0|1,0,1]=4 3182 B6R0.8 CCC(C)(C)CC MCULE-7259470376 [0,2,0,0,0,0|2,0,0]=4 3183 B6R0.8 CCC(C)(C)CN MCULE-2321746087 [0,2,0,0,0,0|2,0,0]=4 3184 B6R0.8 CCC(C)(C)CN MCULE-9058132626 [0,2,0,0,0,0|2,0,0]=4 3185 B6R0.8 CCC(C)(C)CO MCULE-9731698451 [0,2,0,0,0,0|1,0,0]=3 3186 B6R0.8 CCC(C)(C)NC MCULE-2427210996 [0,2,0,0,0,0|2,0,0]=4 3187 B6R0.8 CCC(C)(C)NC MCULE-6316686584 [0,2,0,0,0,0|2,0,0]=4 3188 B6R0.8 CCC(C)(C)NN MCULE-5144292111 [0,2,0,0,0,0|2,0,0]=4 3189 B6R0.8 CCC(C)(C)NN MCULE-6427430833 [0,2,0,0,0,0|2,0,0]=4 3190 B6R0.8 CCC(C)(C)OC MCULE-3328037871 [0,2,0,0,0,0|1,0,0]=3 3191 B6R0.8 CCC(C)(Cl)CC MCULE-2958469449 [0,2,0,0,0,0|2,0,0]=4 3192 B6R0.8 CCC(C)(N)C#N MCULE-3668256074 [0,2,0,0,0,0|2,0,0]=4 3193 B6R0.8 CCC(C)(N)C#N MCULE-8050998496 [0,2,0,0,0,0|2,0,0]=4 3194 B6R0.8 CCC(C)(N)CC MCULE-6775882748 [0,2,0,0,0,0|2,0,0]=4 3195 B6R0.8 CCC(C)(N)CC MCULE-8120212652 [0,2,0,0,0,0|2,0,0]=4 3196 B6R0.8 CCC(C)(N)CN MCULE-3477587448 [0,2,0,0,0,0|2,0,0]=4 3197 B6R0.8 CCC(C)(N)CO MCULE-3364837123 [0,2,0,0,0,0|1,0,0]=3 3198 B6R0.8 CCC(C)(N)CO MCULE-6671299764 [0,2,0,0,0,0|1,0,0]=3 3199 B6R0.8 CCC(C)(O)C#N MCULE-9698927439 [0,2,0,0,0,0|1,0,0]=3 3200 B6R0.8 CCC(C)(O)CC MCULE-2300322554 [0,2,0,0,0,0|1,0,0]=3 3201 B6R0.8 CCC(C)(O)CN MCULE-2912898926 [0,2,0,0,0,0|1,0,0]=3 3202 B6R0.8 CCC(C)(O)CO MCULE-7272709587 [0,2,0,0,0,0|1,0,0]=3 3203 B6R0.8 CCC(F)(F)CN MCULE-5083755501 [0,2,0,0,0,0|2,0,0]=4 3204 B6R0.8 CCC(F)(F)CO MCULE-9442155245 [0,2,0,0,0,0|2,0,0]=4 3205 B6R0.8 CCP(=O)(O)CC MCULE-3198153356 [0,2,0,0,0,0|2,0,0]=4 3206 B6R0.8 CCS(=O)(=O)CBr MCULE-9846834894 [0,2,0,0,0,0|1,0,1]=4 3207 B6R0.8 CNC(C)(C)CBr MCULE-6159004014 [0,2,0,0,0,0|1,0,0]=3 3208 B6R0.8 CNC(C)(C)CBr MCULE-8678001868 [0,2,0,0,0,0|1,0,0]=3 3209 B6R0.8 CNC(C)(C)CN MCULE-8166828160 [0,2,0,0,0,0|2,0,0]=4 3210 B6R0.8 CNC(C)(C)CO MCULE-6733742999 [0,2,0,0,0,0|2,0,0]=4 3211 B6R0.8 CNC(C)(C)CO MCULE-8497514322 [0,2,0,0,0,0|2,0,0]=4 3212 B6R0.8 CNS(=O)(=O)CBr MCULE-1758584775 [0,2,0,0,0,0|1,0,1]=4 3213 B6R0.8 COC(C)(C)C#N MCULE-8347600095 [0,2,0,0,0,0|1,0,1]=4 3214 B6R0.8 COC(C)(C)CBr MCULE-2140114530 [0,2,0,0,0,0|0,0,0]=2 3215 B6R0.8 COC(C)(C)CN MCULE-3456895046 [0,2,0,0,0,0|1,0,0]=3 3216 B6R0.8 COC(C)(C)CN MCULE-4113959368 [0,2,0,0,0,0|1,0,0]=3 3217 B6R0.8 COC(C)(C)CN MCULE-7074369009 [0,2,0,0,0,0|1,0,0]=3 3218 B6R0.8 COC(C)(C)CO MCULE-2208581417 [0,2,0,0,0,0|1,0,0]=3 3219 B6R0.8 COC(C)(C)OC MCULE-2997403120 [0,2,0,0,0,0|2,0,0]=4 3220 B6R0.8 COC(C)(C)ON MCULE-9489606516 [0,2,0,0,0,0|2,0,0]=4 3221 B6R0.8 CO[Si](C)(C)CCl MCULE-8537087752 [0,2,0,0,0,0|0,2,0]=4 3222 B6R0.8 CSC(C)(C)CN MCULE-2872927545 [0,2,0,0,0,0|1,1,0]=4 3223 B6R0.8 CSC(C)(C)CO MCULE-7955741611 [0,2,0,0,0,0|1,1,0]=4 3224 B6R0.8 C[C@](O)(CO)CBr MCULE-3211170790 [0,2,0,0,0,0|0,0,0]=2 3225 B6R0.8 ClCC(Cl)(Br)CBr MCULE-1627044256 [0,2,0,0,0,0|1,0,0]=3 3226 B6R0.8 ClCC(Cl)(Cl)CCl MCULE-3157740012 [0,2,0,0,0,0|1,1,0]=4 3227 B6R0.8 NCC(F)(F)CN MCULE-2462642769 [0,2,0,0,0,0|2,0,0]=4 3228 B6R0.8 NCC(F)(F)CN MCULE-3947197028 [0,2,0,0,0,0|2,0,0]=4 3229 B6R0.8 NCC(F)(F)CO MCULE-1734067533 [0,2,0,0,0,0|2,0,0]=4 3230 B6R0.8 NCC(F)(F)CO MCULE-6456961834 [0,2,0,0,0,0|2,0,0]=4 3231 B6R0.8 O=CC(Br)(Br)CBr MCULE-3050482544 [0,2,0,0,0,0|1,0,1]=4 3232 B6R0.8 O=P(O)(CBr)CBr MCULE-3993361339 [0,2,0,0,0,0|1,0,0]=3 3233 B6R0.8 O=P(O)(CCl)CCl MCULE-6792915019 [0,2,0,0,0,0|1,1,0]=4 3234 B6R0.8 O=P(O)(CI)CI MCULE-1563566081 [0,2,0,0,0,0|1,1,0]=4 3235 B6R0.8 OCC(F)(F)CO MCULE-8504062479 [0,2,0,0,0,0|2,0,0]=4 3236 B6R0.8 [NH3+]C(C)(C#C)CC MCULE-7386979197 [0,2,0,0,0,0|2,0,0]=4 3237 B6R0.9 C#CC(CC)CC MCULE-6184220024 [0,2,0,0,0,0|2,0,0]=4 3238 B6R0.9 C=CC(CCl)OC MCULE-7435605398 [0,2,0,0,0,0|0,1,1]=4 3239 B6R0.9 C=CC(OC)OC MCULE-7212819947 [0,2,0,0,0,0|1,0,1]=4 3240 B6R0.9 CCB(CC)OC MCULE-5839415433 [0,2,0,0,0,0|2,0,0]=4 3241 B6R0.9 CCC(=CO)CC MCULE-4973169590 [0,2,0,0,0,0|1,0,1]=4 3242 B6R0.9 CCC(=CO)CC MCULE-8459100577 [0,2,0,0,0,0|1,0,1]=4 3243 B6R0.9 CCC(C#N)CC MCULE-1817171032 [0,2,0,0,0,0|2,0,0]=4 3244 B6R0.9 CCC(C#N)NC MCULE-2518843235 [0,2,0,0,0,0|2,0,0]=4 3245 B6R0.9 CCC(C#N)NC MCULE-9562458353 [0,2,0,0,0,0|2,0,0]=4 3246 B6R0.9 CCC(C=O)CC MCULE-3529464122 [0,2,0,0,0,0|1,0,1]=4 3247 B6R0.9 CCC(CBr)CBr MCULE-6164388407 [0,2,0,0,0,0|1,0,0]=3 3248 B6R0.9 CCC(CBr)OC MCULE-1656817461 [0,2,0,0,0,0|0,0,0]=2 3249 B6R0.9 CCC(CC)CBr MCULE-7035205946 [0,2,0,0,0,0|1,0,0]=3 3250 B6R0.9 CCC(CC)CC MCULE-4259310191 [0,2,0,0,0,0|2,0,0]=4 3251 B6R0.9 CCC(CC)CI MCULE-7444274747 [0,2,0,0,0,0|1,1,0]=4 3252 B6R0.9 CCC(CC)CN MCULE-2344837203 [0,2,0,0,0,0|2,0,0]=4 3253 B6R0.9 CCC(CC)CN MCULE-5753995416 [0,2,0,0,0,0|2,0,0]=4 3254 B6R0.9 CCC(CC)CO MCULE-8799293985 [0,2,0,0,0,0|1,0,0]=3 3255 B6R0.9 CCC(CC)NC MCULE-5581389070 [0,2,0,0,0,0|2,0,0]=4 3256 B6R0.9 CCC(CC)NC MCULE-9713693117 [0,2,0,0,0,0|2,0,0]=4 3257 B6R0.9 CCC(CC)NN MCULE-2238567966 [0,2,0,0,0,0|2,0,0]=4 3258 B6R0.9 CCC(CC)NN MCULE-6799511276 [0,2,0,0,0,0|2,0,0]=4 3259 B6R0.9 CCC(CC)NN MCULE-7243313185 [0,2,0,0,0,0|2,0,0]=4 3260 B6R0.9 CCC(CN)CN MCULE-8523664234 [0,2,0,0,0,0|2,0,0]=4 3261 B6R0.9 CCC(CN)CO MCULE-5933181303 [0,2,0,0,0,0|1,0,0]=3 3262 B6R0.9 CCC(CN)OC MCULE-2981477258 [0,2,0,0,0,0|1,0,0]=3 3263 B6R0.9 CCC(CN)OC MCULE-5102774189 [0,2,0,0,0,0|1,0,0]=3 3264 B6R0.9 CCC(CO)CO MCULE-5204077076 [0,2,0,0,0,0|1,0,0]=3 3265 B6R0.9 CCC(CO)NC MCULE-4151180539 [0,2,0,0,0,0|1,0,0]=3 3266 B6R0.9 CCC(CO)OC MCULE-3822452142 [0,2,0,0,0,0|1,0,0]=3 3267 B6R0.9 CCC(OC)OC MCULE-8987892974 [0,2,0,0,0,0|1,0,0]=3 3268 B6R0.9 CCN(CC)CO MCULE-9782453115 [0,2,0,0,0,0|2,0,0]=4 3269 B6R0.9 CC[C@@H](CO)NC MCULE-6281808613 [0,2,0,0,0,0|1,0,0]=3 3270 B6R0.9 CNC(CN)CO MCULE-7006149115 [0,2,0,0,0,0|1,0,0]=3 3271 B6R0.9 CNC(CO)CO MCULE-9323859576 [0,2,0,0,0,0|1,0,0]=3 3272 B6R0.9 COC(C#N)CBr MCULE-7382241537 [0,2,0,0,0,0|0,0,1]=3 3273 B6R0.9 COC(C=O)OC MCULE-7354932286 [0,2,0,0,0,0|1,0,1]=4 3274 B6R0.9 COC(CBr)OC MCULE-2277122528 [0,2,0,0,0,0|0,0,0]=2 3275 B6R0.9 COC(CCl)OC MCULE-2320305704 [0,2,0,0,0,0|0,1,0]=3 3276 B6R0.9 COC(CN)CN MCULE-3870266689 [0,2,0,0,0,0|1,0,0]=3 3277 B6R0.9 COC(CN)CO MCULE-2486586573 [0,2,0,0,0,0|1,0,0]=3 3278 B6R0.9 COC(CN)CO MCULE-3908535917 [0,2,0,0,0,0|1,0,0]=3 3279 B6R0.9 COC(CN)OC MCULE-1003844122 [0,2,0,0,0,0|1,0,0]=3 3280 B6R0.9 COC(CO)CBr MCULE-4957036064 [0,2,0,0,0,0|0,0,0]=2 3281 B6R0.9 COC(CO)CO MCULE-4778743592 [0,2,0,0,0,0|1,0,0]=3 3282 B6R0.9 COC(CO)OC MCULE-1980066235 [0,2,0,0,0,0|1,0,0]=3 3283 B6R0.9 COC(CS)OC MCULE-2408457054 [0,2,0,0,0,0|1,0,0]=3 3284 B6R0.9 COC(OC)OC MCULE-3414819011 [0,2,0,0,0,0|2,0,0]=4 3285 B6R0.9 CO[C@H](CN)CO MCULE-6065862053 [0,2,0,0,0,0|1,0,0]=3 3286 B6R0.9 OCC(=NO)CO MCULE-1131100831 [0,2,0,0,0,0|1,0,1]=4 3287 B6R0.9 OCC(CBr)CBr MCULE-4153091765 [0,2,0,0,0,0|0,0,0]=2 3288 B6R0.9 OCC(CO)CO MCULE-7640074192 [0,2,0,0,0,0|1,0,0]=3 3289 B6R0.9 OCP(CO)CO MCULE-9792692156 [0,2,0,0,0,0|2,0,0]=4 3290 B6R0.7 BrC(Br)C(Br)(Br)Br MCULE-3423312244 [0,2,0,0,0,0|2,0,0]=4 3291 B6R0.7 C=C(Br)C(C)(C)C MCULE-2463544596 [0,2,0,0,0,0|1,0,1]=4 3292 B6R0.7 CC(=O)C(C)(C)Br MCULE-2211649171 [0,2,0,0,0,0|0,0,2]=4 3293 B6R0.7 CC(=O)C(C)(C)O MCULE-1535627387 [0,2,0,0,0,0|1,0,1]=4 3294 B6R0.7 CC(Br)(Br)C(=O)O MCULE-1654765678 [0,2,0,0,0,0|1,0,1]=4 3295 B6R0.7 CC(Br)C(C)(Br)Br MCULE-8291248982 [0,2,0,0,0,0|1,0,0]=3 3296 B6R0.7 CC(Br)C(C)(C)O MCULE-8852960455 [0,2,0,0,0,0|0,0,0]=2 3297 B6R0.7 CC(Br)C(F)(F)F MCULE-2513242011 [0,2,0,0,0,0|1,1,0]=4 3298 B6R0.7 CC(C)(Br)C(=O)Br MCULE-3927664220 [0,2,0,0,0,0|1,0,1]=4 3299 B6R0.7 CC(C)(Br)C(=O)O MCULE-9443967216 [0,2,0,0,0,0|1,0,1]=4 3300 B6R0.7 CC(C)(N)C(F)F MCULE-3533657881 [0,2,0,0,0,0|1,1,0]=4 3301 B6R0.7 CC(C)(N)C(F)F MCULE-6482627990 [0,2,0,0,0,0|1,1,0]=4 3302 B6R0.7 CC(C)(O)C(=N)N MCULE-4499579707 [0,2,0,0,0,0|1,0,1]=4 3303 B6R0.7 CC(C)(O)C(=N)N MCULE-5382519131 [0,2,0,0,0,0|1,0,1]=4 3304 B6R0.7 CC(C)(O)C(=O)N MCULE-9151369011 [0,2,0,0,0,0|1,0,1]=4 3305 B6R0.7 CC(C)(O)C(=O)O MCULE-4093617756 [0,2,0,0,0,0|1,0,1]=4 3306 B6R0.7 CC(C)(O)C(F)F MCULE-8985905844 [0,2,0,0,0,0|0,1,0]=3 3307 B6R0.7 CC(C)C(C)(C)C MCULE-1812497972 [0,2,0,0,0,0|2,0,0]=4 3308 B6R0.7 CC(C)C(C)(C)Cl MCULE-8433683576 [0,2,0,0,0,0|1,1,0]=4 3309 B6R0.7 CC(C)C(C)(C)N MCULE-1087702564 [0,2,0,0,0,0|2,0,0]=4 3310 B6R0.7 CC(C)C(C)(C)N MCULE-7970243446 [0,2,0,0,0,0|2,0,0]=4 3311 B6R0.7 CC(C)C(C)(C)N MCULE-9070308251 [0,2,0,0,0,0|2,0,0]=4 3312 B6R0.7 CC(C)C(C)(C)N MCULE-9504763687 [0,2,0,0,0,0|2,0,0]=4 3313 B6R0.7 CC(C)C(C)(C)O MCULE-9552110431 [0,2,0,0,0,0|1,0,0]=3 3314 B6R0.7 CC(C)C(C)(C)S MCULE-2543562742 [0,2,0,0,0,0|1,1,0]=4 3315 B6R0.7 CC(F)(Br)C(=O)O MCULE-5584369540 [0,2,0,0,0,0|1,0,1]=4 3316 B6R0.7 CC(F)(F)C(F)F MCULE-7024439355 [0,2,0,0,0,0|1,1,0]=4 3317 B6R0.7 CC(I)C(C)(C)O MCULE-2789802208 [0,2,0,0,0,0|0,1,0]=3 3318 B6R0.7 CC(I)C(F)(F)F MCULE-6487463885 [0,2,0,0,0,0|1,1,0]=4 3319 B6R0.7 CC(N)C(C)(C)C MCULE-1560445367 [0,2,0,0,0,0|2,0,0]=4 3320 B6R0.7 CC(N)C(C)(C)C MCULE-2502277340 [0,2,0,0,0,0|2,0,0]=4 3321 B6R0.7 CC(N)C(C)(C)C MCULE-2961240055 [0,2,0,0,0,0|2,0,0]=4 3322 B6R0.7 CC(N)C(C)(C)C MCULE-6247289312 [0,2,0,0,0,0|2,0,0]=4 3323 B6R0.7 CC(N)C(C)(C)O MCULE-4039964918 [0,2,0,0,0,0|1,0,0]=3 3324 B6R0.7 CC(N)C(C)(F)F MCULE-4707783981 [0,2,0,0,0,0|1,1,0]=4 3325 B6R0.7 CC(N)C(C)(F)F MCULE-4940930603 [0,2,0,0,0,0|1,1,0]=4 3326 B6R0.7 CC(N)C(F)(F)F MCULE-3262630519 [0,2,0,0,0,0|1,1,0]=4 3327 B6R0.7 CC(N)C(F)(F)F MCULE-5807700972 [0,2,0,0,0,0|1,1,0]=4 3328 B6R0.7 CC(N)C(F)(F)F MCULE-9059703170 [0,2,0,0,0,0|1,1,0]=4 3329 B6R0.7 CC(N)C(F)(F)F MCULE-9338683660 [0,2,0,0,0,0|1,1,0]=4 3330 B6R0.7 CC(O)C(C)(C)C MCULE-7642386536 [0,2,0,0,0,0|1,0,0]=3 3331 B6R0.7 CC(O)C(C)(C)N MCULE-3194936121 [0,2,0,0,0,0|1,0,0]=3 3332 B6R0.7 CC(O)C(C)(C)N MCULE-6694352146 [0,2,0,0,0,0|1,0,0]=3 3333 B6R0.7 CC(O)C(C)(C)O MCULE-6808101269 [0,2,0,0,0,0|1,0,0]=3 3334 B6R0.7 CC(O)C(Cl)(Cl)Cl MCULE-5935806357 [0,2,0,0,0,0|0,1,0]=3 3335 B6R0.7 CC(O)C(F)(F)F MCULE-7932621726 [0,2,0,0,0,0|0,1,0]=3 3336 B6R0.7 CC(O)C(F)(F)F MCULE-9204617232 [0,2,0,0,0,0|0,1,0]=3 3337 B6R0.7 C[C@@H](N)C(C)(C)C MCULE-4605264480 [0,2,0,0,0,0|2,0,0]=4 3338 B6R0.7 C[C@@H](N)C(C)(C)C MCULE-4749686394 [0,2,0,0,0,0|2,0,0]=4 3339 B6R0.7 C[C@@H](N)C(C)(C)C MCULE-6899493984 [0,2,0,0,0,0|2,0,0]=4 3340 B6R0.7 C[C@@H](N)C(C)(C)C MCULE-8453431428 [0,2,0,0,0,0|2,0,0]=4 3341 B6R0.7 C[C@@H](N)C(C)(C)O MCULE-3417639330 [0,2,0,0,0,0|1,0,0]=3 3342 B6R0.7 C[C@@H](N)C(C)(C)O MCULE-4565477059 [0,2,0,0,0,0|1,0,0]=3 3343 B6R0.7 C[C@@H](N)C(C)(C)O MCULE-6545041854 [0,2,0,0,0,0|1,0,0]=3 3344 B6R0.7 C[C@@H](N)C(C)(C)O MCULE-7923052614 [0,2,0,0,0,0|1,0,0]=3 3345 B6R0.7 C[C@@H](N)C(C)(F)F MCULE-2091512809 [0,2,0,0,0,0|1,1,0]=4 3346 B6R0.7 C[C@@H](N)C(C)(F)F MCULE-8739903384 [0,2,0,0,0,0|1,1,0]=4 3347 B6R0.7 C[C@@H](N)C(F)(F)F MCULE-4764078144 [0,2,0,0,0,0|1,1,0]=4 3348 B6R0.7 C[C@@H](N)C(F)(F)F MCULE-5519320185 [0,2,0,0,0,0|1,1,0]=4 3349 B6R0.7 C[C@@H](N)C(F)(F)F MCULE-6357974683 [0,2,0,0,0,0|1,1,0]=4 3350 B6R0.7 C[C@@H](N)C(F)(F)F MCULE-8361949262 [0,2,0,0,0,0|1,1,0]=4 3351 B6R0.7 C[C@@H](O)C(C)(C)C MCULE-7929838583 [0,2,0,0,0,0|1,0,0]=3 3352 B6R0.7 C[C@@H](O)C(F)(F)F MCULE-2563742748 [0,2,0,0,0,0|0,1,0]=3 3353 B6R0.7 C[C@H](N)C(C)(C)C MCULE-4139932684 [0,2,0,0,0,0|2,0,0]=4 3354 B6R0.7 C[C@H](N)C(C)(C)C MCULE-4860282434 [0,2,0,0,0,0|2,0,0]=4 3355 B6R0.7 C[C@H](N)C(C)(C)C MCULE-6310262013 [0,2,0,0,0,0|2,0,0]=4 3356 B6R0.7 C[C@H](N)C(C)(C)C MCULE-6777039869 [0,2,0,0,0,0|2,0,0]=4 3357 B6R0.7 C[C@H](N)C(C)(C)O MCULE-2544089301 [0,2,0,0,0,0|1,0,0]=3 3358 B6R0.7 C[C@H](N)C(C)(C)O MCULE-3586309450 [0,2,0,0,0,0|1,0,0]=3 3359 B6R0.7 C[C@H](N)C(C)(C)O MCULE-3878079754 [0,2,0,0,0,0|1,0,0]=3 3360 B6R0.7 C[C@H](N)C(C)(C)O MCULE-6958997632 [0,2,0,0,0,0|1,0,0]=3 3361 B6R0.7 C[C@H](N)C(C)(F)F MCULE-1126441542 [0,2,0,0,0,0|1,1,0]=4 3362 B6R0.7 C[C@H](N)C(C)(F)F MCULE-5528735738 [0,2,0,0,0,0|1,1,0]=4 3363 B6R0.7 C[C@H](N)C(C)(F)F MCULE-8435527625 [0,2,0,0,0,0|1,1,0]=4 3364 B6R0.7 C[C@H](N)C(C)(F)F MCULE-9214849722 [0,2,0,0,0,0|1,1,0]=4 3365 B6R0.7 C[C@H](N)C(F)(F)F MCULE-3362038134 [0,2,0,0,0,0|1,1,0]=4 3366 B6R0.7 C[C@H](N)C(F)(F)F MCULE-4246179222 [0,2,0,0,0,0|1,1,0]=4 3367 B6R0.7 C[C@H](N)C(F)(F)F MCULE-5429343374 [0,2,0,0,0,0|1,1,0]=4 3368 B6R0.7 C[C@H](N)C(F)(F)F MCULE-8647501380 [0,2,0,0,0,0|1,1,0]=4 3369 B6R0.7 C[C@H](O)C(C)(C)C MCULE-8207064949 [0,2,0,0,0,0|1,0,0]=3 3370 B6R0.7 C[C@H](O)C(C)(C)O MCULE-5048641902 [0,2,0,0,0,0|1,0,0]=3 3371 B6R0.7 C[C@H](O)C(F)(F)F MCULE-2310271940 [0,2,0,0,0,0|0,1,0]=3 3372 B6R0.7 C[C@H](O)C(F)(F)F MCULE-8236579487 [0,2,0,0,0,0|0,1,0]=3 3373 B6R0.7 FC(Br)C(F)(F)F MCULE-6102339926 [0,2,0,0,0,0|2,0,0]=4 3374 B6R0.7 FC(Cl)C(F)(F)Br MCULE-3694311679 [0,2,0,0,0,0|2,0,0]=4 3375 B6R0.7 FC(F)(Br)C(Cl)Br MCULE-2897213920 [0,2,0,0,0,0|2,0,0]=4 3376 B6R0.7 FC(F)(F)C(Br)Br MCULE-7286756535 [0,2,0,0,0,0|2,0,0]=4 3377 B6R0.7 FC(F)(F)C(Cl)Br MCULE-4156938423 [0,2,0,0,0,0|2,0,0]=4 3378 B6R0.7 O=C(O)C(Br)(Br)Br MCULE-4004191582 [0,2,0,0,0,0|1,0,1]=4 3379 B6R0.7 O=C(O)C(Cl)(Br)Br MCULE-9131760998 [0,2,0,0,0,0|1,0,1]=4 3380 B6R0.7 O=C(O)C(F)(Br)Br MCULE-7267386731 [0,2,0,0,0,0|1,0,1]=4 3381 B6R0.7 O=C(O)C(F)(F)Br MCULE-2634780711 [0,2,0,0,0,0|1,0,1]=4 3382 B6R0.7 OC(O)C(Br)(Br)Br MCULE-7879525554 [0,2,0,0,0,0|1,0,0]=3 3383 B6R0.7 OC(O)C(Cl)(Cl)Cl MCULE-8278658791 [0,2,0,0,0,0|1,1,0]=4 3384 B6R0.7 OC(O)C(F)(F)Cl MCULE-1866902958 [0,2,0,0,0,0|1,1,0]=4 3385 B6R0.7 OC(O)C(F)(F)F MCULE-4829227385 [0,2,0,0,0,0|1,1,0]=4 3386 B6R0.7 [C@H](C)(O)C(F)(F)F MCULE-3479344719 [0,2,0,0,0,0|0,1,0]=3 3387 B4R1.1 C1CNC1 MCULE-2817120281 [1,0,0,1,0,0|1,0,0]=3 3388 B4R1.1 C1CNC1 MCULE-5348168818 [1,0,0,1,0,0|1,0,0]=3 3389 B4R1.1 C1COC1 MCULE-4105779148 [1,0,0,1,0,0|1,0,0]=3 3390 B4R1.1 C1CSC1 MCULE-2361125802 [1,0,0,1,0,0|1,0,0]=3 3391 B4R1.2 BrC1CC1 MCULE-3656295609 [1,0,0,1,0,0|0,0,0]=2 3392 B4R1.2 CC1CC1 MCULE-5909419916 [1,0,0,1,0,0|1,0,0]=3 3393 B4R1.2 CC1CN1 MCULE-2953452695 [1,0,0,1,0,0|1,0,0]=3 3394 B4R1.2 CC1CO1 MCULE-4799904973 [1,0,0,1,0,0|1,0,0]=3 3395 B4R1.2 CC1CO1 MCULE-9508255430 [1,0,0,1,0,0|1,0,0]=3 3396 B4R1.2 CC1CS1 MCULE-2534699321 [1,0,0,1,0,0|1,0,0]=3 3397 B4R1.2 C[C@@H]1CO1 MCULE-5437340901 [1,0,0,1,0,0|1,0,0]=3 3398 B4R1.2 C[C@@H]1CO1 MCULE-6874302400 [1,0,0,1,0,0|1,0,0]=3 3399 B4R1.2 C[C@H]1CO1 MCULE-4667457959 [1,0,0,1,0,0|1,0,0]=3 3400 B4R1.2 IC1CC1 MCULE-6043109265 [1,0,0,1,0,0|0,1,0]=3 3401 B4R1.2 NC1CC1 MCULE-1933360330 [1,0,0,1,0,0|1,0,0]=3 3402 B4R1.2 NC1CC1 MCULE-6187070220 [1,0,0,1,0,0|1,0,0]=3 3403 B4R1.2 OC1CC1 MCULE-8237846154 [1,0,0,1,0,0|1,0,0]=3 3404 B4R1.2 SC1CC1 MCULE-1371610395 [1,0,0,1,0,0|1,0,0]=3 3405 B4R1.2 [C@@H]1(CN1)C MCULE-4079798985 [1,0,0,1,0,0|1,0,0]=3 3406 B6R1.2 BrC1CC=CC1 MCULE-8834603275 [0,1,0,1,0,0|2,0,0]=4 3407 B6R1.2 BrC1CCCC1 MCULE-9383923023 [0,1,0,1,0,0|2,0,0]=4 3408 B6R1.2 BrC1CCNC1 MCULE-4841543716 [0,1,0,1,0,0|2,0,0]=4 3409 B6R1.2 BrC1CCNC1 MCULE-4954951045 [0,1,0,1,0,0|2,0,0]=4 3410 B6R1.2 BrC1CCNC1 MCULE-7176123276 [0,1,0,1,0,0|2,0,0]=4 3411 B6R1.2 BrC1CCOC1 MCULE-7037144528 [0,1,0,1,0,0|2,0,0]=4 3412 B6R1.2 BrC1CCSC1 MCULE-6663716947 [0,1,0,1,0,0|2,0,0]=4 3413 B6R1.2 Br[C@@H]1CCNC1 MCULE-1681494552 [0,1,0,1,0,0|2,0,0]=4 3414 B6R1.2 Br[C@@H]1CCNC1 MCULE-1764777534 [0,1,0,1,0,0|2,0,0]=4 3415 B6R1.2 Br[C@@H]1CCNC1 MCULE-2455801012 [0,1,0,1,0,0|2,0,0]=4 3416 B6R1.2 Br[C@@H]1CCNC1 MCULE-8945784733 [0,1,0,1,0,0|2,0,0]=4 3417 B6R1.2 Br[C@H]1CCNC1 MCULE-5014033994 [0,1,0,1,0,0|2,0,0]=4 3418 B6R1.2 Br[C@H]1CCNC1 MCULE-5217617272 [0,1,0,1,0,0|2,0,0]=4 3419 B6R1.2 Br[C@H]1CCNC1 MCULE-8899453530 [0,1,0,1,0,0|2,0,0]=4 3420 B6R1.2 Br[C@H]1CCNC1 MCULE-9461718131 [0,1,0,1,0,0|2,0,0]=4 3421 B6R1.2 Br[C@H]1CCOC1 MCULE-7554969036 [0,1,0,1,0,0|2,0,0]=4 3422 B6R1.2 C1(CCNC1)C MCULE-2542646403 [0,1,0,1,0,0|2,0,0]=4 3423 B6R1.2 C1(CCNC1)C MCULE-4538835016 [0,1,0,1,0,0|2,0,0]=4 3424 B6R1.2 C1(CCNC1)F MCULE-2259566125 [0,1,0,1,0,0|2,0,0]=4 3425 B6R1.2 C1(CCNC1)F MCULE-3325393466 [0,1,0,1,0,0|2,0,0]=4 3426 B6R1.2 C1(CCNC1)O MCULE-2676539647 [0,1,0,1,0,0|1,0,0]=3 3427 B6R1.2 C1(CCNC1)O MCULE-4228466615 [0,1,0,1,0,0|1,0,0]=3 3428 B6R1.2 C1(CCOC1)I MCULE-4877322062 [0,1,0,1,0,0|2,0,0]=4 3429 B6R1.2 C1(CCOC1)N MCULE-2221007915 [0,1,0,1,0,0|2,0,0]=4 3430 B6R1.2 C1(CCOC1)N MCULE-3972931474 [0,1,0,1,0,0|2,0,0]=4 3431 B6R1.2 C1(CCOC1)O MCULE-3631749536 [0,1,0,1,0,0|1,0,0]=3 3432 B6R1.2 CC1=CCCO1 MCULE-7276659214 [0,1,0,1,0,0|1,0,1]=4 3433 B6R1.2 CC1=NCCO1 MCULE-8564633040 [0,1,0,1,0,0|1,0,1]=4 3434 B6R1.2 CC1C=CCC1 MCULE-1638534048 [0,1,0,1,0,0|2,0,0]=4 3435 B6R1.2 CC1CCCC1 MCULE-4702116068 [0,1,0,1,0,0|2,0,0]=4 3436 B6R1.2 CC1CCCN1 MCULE-4853624560 [0,1,0,1,0,0|2,0,0]=4 3437 B6R1.2 CC1CCCN1 MCULE-5939948024 [0,1,0,1,0,0|2,0,0]=4 3438 B6R1.2 CC1CCCN1 MCULE-6020011445 [0,1,0,1,0,0|2,0,0]=4 3439 B6R1.2 CC1CCCN1 MCULE-7855346849 [0,1,0,1,0,0|2,0,0]=4 3440 B6R1.2 CC1CCCO1 MCULE-2526138687 [0,1,0,1,0,0|1,0,0]=3 3441 B6R1.2 CC1CCCS1 MCULE-8372499972 [0,1,0,1,0,0|1,1,0]=4 3442 B6R1.2 CC1CCNC1 MCULE-6494098173 [0,1,0,1,0,0|2,0,0]=4 3443 B6R1.2 CC1CCNC1 MCULE-8260364514 [0,1,0,1,0,0|2,0,0]=4 3444 B6R1.2 CC1CCOC1 MCULE-6424683416 [0,1,0,1,0,0|1,0,0]=3 3445 B6R1.2 CC1CCSC1 MCULE-7445511318 [0,1,0,1,0,0|1,1,0]=4 3446 B6R1.2 CC1CNOC1 MCULE-1071803164 [0,1,0,1,0,0|1,0,0]=3 3447 B6R1.2 CC1CNOC1 MCULE-9455391174 [0,1,0,1,0,0|1,0,0]=3 3448 B6R1.2 CC1COCO1 MCULE-9332316279 [0,1,0,1,0,0|1,0,0]=3 3449 B6R1.2 CC1NCCS1 MCULE-8457840375 [0,1,0,1,0,0|1,1,0]=4 3450 B6R1.2 CC1OCCO1 MCULE-2943809591 [0,1,0,1,0,0|1,0,0]=3 3451 B6R1.2 CC1SCCS1 MCULE-5011453273 [0,1,0,1,0,0|1,1,0]=4 3452 B6R1.2 CN1CCOC1 MCULE-5504672404 [0,1,0,1,0,0|2,0,0]=4 3453 B6R1.2 C[C@@H]1CCCN1 MCULE-1038329474 [0,1,0,1,0,0|2,0,0]=4 3454 B6R1.2 C[C@@H]1CCCN1 MCULE-1829999308 [0,1,0,1,0,0|2,0,0]=4 3455 B6R1.2 C[C@@H]1CCCN1 MCULE-8644278041 [0,1,0,1,0,0|2,0,0]=4 3456 B6R1.2 C[C@@H]1CCCN1 MCULE-9243990647 [0,1,0,1,0,0|2,0,0]=4 3457 B6R1.2 C[C@@H]1CCNC1 MCULE-5345577321 [0,1,0,1,0,0|2,0,0]=4 3458 B6R1.2 C[C@@H]1CCNC1 MCULE-5749945455 [0,1,0,1,0,0|2,0,0]=4 3459 B6R1.2 C[C@@H]1CCNC1 MCULE-8967606188 [0,1,0,1,0,0|2,0,0]=4 3460 B6R1.2 C[C@@H]1CCNC1 MCULE-8996756392 [0,1,0,1,0,0|2,0,0]=4 3461 B6R1.2 C[C@H]1CCCN1 MCULE-2078024663 [0,1,0,1,0,0|2,0,0]=4 3462 B6R1.2 C[C@H]1CCCN1 MCULE-3113877345 [0,1,0,1,0,0|2,0,0]=4 3463 B6R1.2 C[C@H]1CCCN1 MCULE-3426869473 [0,1,0,1,0,0|2,0,0]=4 3464 B6R1.2 C[C@H]1CCCN1 MCULE-5093266679 [0,1,0,1,0,0|2,0,0]=4 3465 B6R1.2 C[C@H]1CCNC1 MCULE-1866792897 [0,1,0,1,0,0|2,0,0]=4 3466 B6R1.2 C[C@H]1CCNC1 MCULE-3817248567 [0,1,0,1,0,0|2,0,0]=4 3467 B6R1.2 C[C@H]1CCNC1 MCULE-7938243226 [0,1,0,1,0,0|2,0,0]=4 3468 B6R1.2 C[C@H]1CCNC1 MCULE-8895875203 [0,1,0,1,0,0|2,0,0]=4 3469 B6R1.2 ClC1CCCC1 MCULE-3285928655 [0,1,0,1,0,0|2,0,0]=4 3470 B6R1.2 ClC1CCNC1 MCULE-5659561118 [0,1,0,1,0,0|2,0,0]=4 3471 B6R1.2 ClC1CCNC1 MCULE-6180477494 [0,1,0,1,0,0|2,0,0]=4 3472 B6R1.2 ClC1CCNC1 MCULE-6964859207 [0,1,0,1,0,0|2,0,0]=4 3473 B6R1.2 ClC1CCNC1 MCULE-8389509440 [0,1,0,1,0,0|2,0,0]=4 3474 B6R1.2 ClC1CCOC1 MCULE-6903762147 [0,1,0,1,0,0|2,0,0]=4 3475 B6R1.2 Cl[C@@H]1CCNC1 MCULE-3218152098 [0,1,0,1,0,0|2,0,0]=4 3476 B6R1.2 Cl[C@@H]1CCNC1 MCULE-6728755007 [0,1,0,1,0,0|2,0,0]=4 3477 B6R1.2 Cl[C@@H]1CCNC1 MCULE-7223308304 [0,1,0,1,0,0|2,0,0]=4 3478 B6R1.2 Cl[C@@H]1CCNC1 MCULE-9699335522 [0,1,0,1,0,0|2,0,0]=4 3479 B6R1.2 Cl[C@H]1CCNC1 MCULE-1696981588 [0,1,0,1,0,0|2,0,0]=4 3480 B6R1.2 Cl[C@H]1CCNC1 MCULE-4535592624 [0,1,0,1,0,0|2,0,0]=4 3481 B6R1.2 Cl[C@H]1CCNC1 MCULE-4850151938 [0,1,0,1,0,0|2,0,0]=4 3482 B6R1.2 Cl[C@H]1CCNC1 MCULE-8947782807 [0,1,0,1,0,0|2,0,0]=4 3483 B6R1.2 FC1CCCC1 MCULE-1416016970 [0,1,0,1,0,0|2,0,0]=4 3484 B6R1.2 FC1CCNC1 MCULE-3601135445 [0,1,0,1,0,0|2,0,0]=4 3485 B6R1.2 FC1CCNC1 MCULE-8578750940 [0,1,0,1,0,0|2,0,0]=4 3486 B6R1.2 FC1CNOC1 MCULE-4837734523 [0,1,0,1,0,0|2,0,0]=4 3487 B6R1.2 FC1CNOC1 MCULE-6176254900 [0,1,0,1,0,0|2,0,0]=4 3488 B6R1.2 F[C@@H]1CCNC1 MCULE-4408739710 [0,1,0,1,0,0|2,0,0]=4 3489 B6R1.2 F[C@@H]1CCNC1 MCULE-5678498844 [0,1,0,1,0,0|2,0,0]=4 3490 B6R1.2 F[C@@H]1CCNC1 MCULE-5679054116 [0,1,0,1,0,0|2,0,0]=4 3491 B6R1.2 F[C@@H]1CCNC1 MCULE-7029204180 [0,1,0,1,0,0|2,0,0]=4 3492 B6R1.2 F[C@H]1CCCN1 MCULE-8612757365 [0,1,0,1,0,0|2,0,0]=4 3493 B6R1.2 F[C@H]1CCNC1 MCULE-2854402872 [0,1,0,1,0,0|2,0,0]=4 3494 B6R1.2 F[C@H]1CCNC1 MCULE-4493640982 [0,1,0,1,0,0|2,0,0]=4 3495 B6R1.2 F[C@H]1CCNC1 MCULE-7441383471 [0,1,0,1,0,0|2,0,0]=4 3496 B6R1.2 F[C@H]1CCNC1 MCULE-7946601643 [0,1,0,1,0,0|2,0,0]=4 3497 B6R1.2 IC1CCCC1 MCULE-2705379744 [0,1,0,1,0,0|2,0,0]=4 3498 B6R1.2 IC1CCNC1 MCULE-3058541551 [0,1,0,1,0,0|2,0,0]=4 3499 B6R1.2 IC1CCNC1 MCULE-5326267139 [0,1,0,1,0,0|2,0,0]=4 3500 B6R1.2 IC1CCOC1 MCULE-1379775972 [0,1,0,1,0,0|2,0,0]=4 3501 B6R1.2 I[C@@H]1CCNC1 MCULE-3800433724 [0,1,0,1,0,0|2,0,0]=4 3502 B6R1.2 I[C@@H]1CCNC1 MCULE-3857825133 [0,1,0,1,0,0|2,0,0]=4 3503 B6R1.2 I[C@@H]1CCNC1 MCULE-7781267462 [0,1,0,1,0,0|2,0,0]=4 3504 B6R1.2 I[C@@H]1CCNC1 MCULE-7979843810 [0,1,0,1,0,0|2,0,0]=4 3505 B6R1.2 I[C@@H]1CCOC1 MCULE-2036157502 [0,1,0,1,0,0|2,0,0]=4 3506 B6R1.2 I[C@@H]1CCOC1 MCULE-4800752659 [0,1,0,1,0,0|2,0,0]=4 3507 B6R1.2 I[C@H]1CCNC1 MCULE-1218289403 [0,1,0,1,0,0|2,0,0]=4 3508 B6R1.2 I[C@H]1CCNC1 MCULE-7469922084 [0,1,0,1,0,0|2,0,0]=4 3509 B6R1.2 I[C@H]1CCOC1 MCULE-4242860607 [0,1,0,1,0,0|2,0,0]=4 3510 B6R1.2 I[C@H]1CCOC1 MCULE-7095404975 [0,1,0,1,0,0|2,0,0]=4 3511 B6R1.2 NC1CC=CC1 MCULE-3815719332 [0,1,0,1,0,0|2,0,0]=4 3512 B6R1.2 NC1CC=CC1 MCULE-9984030144 [0,1,0,1,0,0|2,0,0]=4 3513 B6R1.2 NC1CCCC1 MCULE-2292038009 [0,1,0,1,0,0|2,0,0]=4 3514 B6R1.2 NC1CCNC1 MCULE-2237528072 [0,1,0,1,0,0|2,0,0]=4 3515 B6R1.2 NC1CCNC1 MCULE-5167920547 [0,1,0,1,0,0|2,0,0]=4 3516 B6R1.2 NC1CCNC1 MCULE-5837785719 [0,1,0,1,0,0|2,0,0]=4 3517 B6R1.2 NC1CCOC1 MCULE-1276945018 [0,1,0,1,0,0|2,0,0]=4 3518 B6R1.2 NC1CCOC1 MCULE-8146259495 [0,1,0,1,0,0|2,0,0]=4 3519 B6R1.2 NC1CCSC1 MCULE-8972229387 [0,1,0,1,0,0|2,0,0]=4 3520 B6R1.2 NC1CCSC1 MCULE-9186640582 [0,1,0,1,0,0|2,0,0]=4 3521 B6R1.2 NC1CSSC1 MCULE-4887591316 [0,1,0,1,0,0|2,0,0]=4 3522 B6R1.2 NC1CSSC1 MCULE-5524609325 [0,1,0,1,0,0|2,0,0]=4 3523 B6R1.2 NC1CSSC1 MCULE-9014844047 [0,1,0,1,0,0|2,0,0]=4 3524 B6R1.2 N[C@@H]1CCNC1 MCULE-6043697974 [0,1,0,1,0,0|2,0,0]=4 3525 B6R1.2 N[C@@H]1CCNC1 MCULE-8912264932 [0,1,0,1,0,0|2,0,0]=4 3526 B6R1.2 N[C@@H]1CCNC1 MCULE-9183647019 [0,1,0,1,0,0|2,0,0]=4 3527 B6R1.2 N[C@@H]1CCNC1 MCULE-9608760183 [0,1,0,1,0,0|2,0,0]=4 3528 B6R1.2 N[C@@H]1CCOC1 MCULE-1100136080 [0,1,0,1,0,0|2,0,0]=4 3529 B6R1.2 N[C@@H]1CCOC1 MCULE-4493278911 [0,1,0,1,0,0|2,0,0]=4 3530 B6R1.2 N[C@@H]1CCOC1 MCULE-5574536510 [0,1,0,1,0,0|2,0,0]=4 3531 B6R1.2 N[C@@H]1CCOC1 MCULE-7204677203 [0,1,0,1,0,0|2,0,0]=4 3532 B6R1.2 N[C@H]1CCNC1 MCULE-3573455998 [0,1,0,1,0,0|2,0,0]=4 3533 B6R1.2 N[C@H]1CCNC1 MCULE-3988158945 [0,1,0,1,0,0|2,0,0]=4 3534 B6R1.2 N[C@H]1CCNC1 MCULE-4526890579 [0,1,0,1,0,0|2,0,0]=4 3535 B6R1.2 N[C@H]1CCNC1 MCULE-8548728927 [0,1,0,1,0,0|2,0,0]=4 3536 B6R1.2 N[C@H]1CCOC1 MCULE-2273771439 [0,1,0,1,0,0|2,0,0]=4 3537 B6R1.2 N[C@H]1CCOC1 MCULE-3567904137 [0,1,0,1,0,0|2,0,0]=4 3538 B6R1.2 N[C@H]1CCOC1 MCULE-5268616156 [0,1,0,1,0,0|2,0,0]=4 3539 B6R1.2 N[C@H]1CCOC1 MCULE-7351975857 [0,1,0,1,0,0|2,0,0]=4 3540 B6R1.2 OC1C=CCC1 MCULE-3857764876 [0,1,0,1,0,0|1,0,1]=4 3541 B6R1.2 OC1C=CCO1 MCULE-4636930669 [0,1,0,1,0,0|1,0,1]=4 3542 B6R1.2 OC1CC=CC1 MCULE-6176562196 [0,1,0,1,0,0|1,0,0]=3 3543 B6R1.2 OC1CCCC1 MCULE-1758440264 [0,1,0,1,0,0|1,0,0]=3 3544 B6R1.2 OC1CCCN1 MCULE-4787168972 [0,1,0,1,0,0|1,0,0]=3 3545 B6R1.2 OC1CCCO1 MCULE-9632627344 [0,1,0,1,0,0|1,0,0]=3 3546 B6R1.2 OC1CCNC1 MCULE-4307402606 [0,1,0,1,0,0|1,0,0]=3 3547 B6R1.2 OC1CCNC1 MCULE-6745480350 [0,1,0,1,0,0|1,0,0]=3 3548 B6R1.2 OC1CCOC1 MCULE-4469581028 [0,1,0,1,0,0|1,0,0]=3 3549 B6R1.2 OC1CCSC1 MCULE-9796808599 [0,1,0,1,0,0|1,0,0]=3 3550 B6R1.2 OC1CNOC1 MCULE-3414700581 [0,1,0,1,0,0|1,0,0]=3 3551 B6R1.2 OC1CNOC1 MCULE-8163403090 [0,1,0,1,0,0|1,0,0]=3 3552 B6R1.2 OC1CNOC1 MCULE-8644852072 [0,1,0,1,0,0|1,0,0]=3 3553 B6R1.2 OC1C[NH2+]OC1 MCULE-7865131527 [0,1,0,1,0,0|1,0,0]=3 3554 B6R1.2 O[C@@H]1CCNC1 MCULE-8116497337 [0,1,0,1,0,0|1,0,0]=3 3555 B6R1.2 O[C@@H]1CCNC1 MCULE-8578068948 [0,1,0,1,0,0|1,0,0]=3 3556 B6R1.2 O[C@@H]1CCNC1 MCULE-9094582248 [0,1,0,1,0,0|1,0,0]=3 3557 B6R1.2 O[C@@H]1CCNC1 MCULE-9933593352 [0,1,0,1,0,0|1,0,0]=3 3558 B6R1.2 O[C@@H]1CCOC1 MCULE-7739141732 [0,1,0,1,0,0|1,0,0]=3 3559 B6R1.2 O[C@@H]1CCOC1 MCULE-8344812226 [0,1,0,1,0,0|1,0,0]=3 3560 B6R1.2 O[C@@H]1CCOC1 MCULE-9098074990 [0,1,0,1,0,0|1,0,0]=3 3561 B6R1.2 O[C@@H]1CCSC1 MCULE-3532754705 [0,1,0,1,0,0|1,0,0]=3 3562 B6R1.2 O[C@@H]1CCSC1 MCULE-5800407146 [0,1,0,1,0,0|1,0,0]=3 3563 B6R1.2 O[C@@H]1CNOC1 MCULE-1481945185 [0,1,0,1,0,0|1,0,0]=3 3564 B6R1.2 O[C@@H]1CNOC1 MCULE-4156521353 [0,1,0,1,0,0|1,0,0]=3 3565 B6R1.2 O[C@@H]1CNOC1 MCULE-5692816168 [0,1,0,1,0,0|1,0,0]=3 3566 B6R1.2 O[C@@H]1CNOC1 MCULE-6838604903 [0,1,0,1,0,0|1,0,0]=3 3567 B6R1.2 O[C@H]1CCNC1 MCULE-1100098088 [0,1,0,1,0,0|1,0,0]=3 3568 B6R1.2 O[C@H]1CCNC1 MCULE-3493644065 [0,1,0,1,0,0|1,0,0]=3 3569 B6R1.2 O[C@H]1CCNC1 MCULE-3778918259 [0,1,0,1,0,0|1,0,0]=3 3570 B6R1.2 O[C@H]1CCNC1 MCULE-4680162054 [0,1,0,1,0,0|1,0,0]=3 3571 B6R1.2 O[C@H]1CCOC1 MCULE-8518846297 [0,1,0,1,0,0|1,0,0]=3 3572 B6R1.2 O[C@H]1CCOC1 MCULE-9544747995 [0,1,0,1,0,0|1,0,0]=3 3573 B6R1.2 O[C@H]1CNOC1 MCULE-1746817114 [0,1,0,1,0,0|1,0,0]=3 3574 B6R1.2 O[C@H]1CNOC1 MCULE-4469396812 [0,1,0,1,0,0|1,0,0]=3 3575 B6R1.2 O[C@H]1CNOC1 MCULE-7167785164 [0,1,0,1,0,0|1,0,0]=3 3576 B6R1.2 O[C@H]1CNOC1 MCULE-8409877332 [0,1,0,1,0,0|1,0,0]=3 3577 B6R1.2 SC1CCCC1 MCULE-5932400506 [0,1,0,1,0,0|1,1,0]=4 3578 B6R1.2 SC1CCOC1 MCULE-9247906418 [0,1,0,1,0,0|1,1,0]=4 3579 B6R1.2 SC1CCSC1 MCULE-5955380477 [0,1,0,1,0,0|1,1,0]=4 3580 B6R1.2 [NH3+]C1CC[NH2+]C1 MCULE-3374468196 [0,1,0,1,0,0|2,0,0]=4 3581 B6R1.3 Br/C=C/C1CC1 MCULE-8231904960 [0,1,0,1,0,0|1,0,1]=4 3582 B6R1.3 BrC#CC1CC1 MCULE-3549954244 [0,1,0,1,0,0|1,0,1]=4 3583 B6R1.3 BrC=CC1CC1 MCULE-7061395349 [0,1,0,1,0,0|1,0,1]=4 3584 B6R1.3 BrCCC1CC1 MCULE-3454213225 [0,1,0,1,0,0|1,0,0]=3 3585 B6R1.3 BrCCC1CO1 MCULE-9889314000 [0,1,0,1,0,0|0,0,0]=2 3586 B6R1.3 BrCC[C@@H]1CO1 MCULE-7015242723 [0,1,0,1,0,0|0,0,0]=2 3587 B6R1.3 BrCC[C@H]1CO1 MCULE-3286755305 [0,1,0,1,0,0|0,0,0]=2 3588 B6R1.3 BrCC[C@H]1CO1 MCULE-3512143037 [0,1,0,1,0,0|0,0,0]=2 3589 B6R1.3 C#CCC1CC1 MCULE-4980990503 [0,1,0,1,0,0|2,0,0]=4 3590 B6R1.3 CCCC1CO1 MCULE-5080039224 [0,1,0,1,0,0|1,0,0]=3 3591 B6R1.3 CCC[C@@H]1CO1 MCULE-1815222100 [0,1,0,1,0,0|1,0,0]=3 3592 B6R1.3 CCC[C@H]1CO1 MCULE-9952368131 [0,1,0,1,0,0|1,0,0]=3 3593 B6R1.3 CCNC1CC1 MCULE-6542327880 [0,1,0,1,0,0|2,0,0]=4 3594 B6R1.3 CCNC1CC1 MCULE-6804557809 [0,1,0,1,0,0|2,0,0]=4 3595 B6R1.3 CCNC1CC1 MCULE-7846800898 [0,1,0,1,0,0|2,0,0]=4 3596 B6R1.3 CNCC1CC1 MCULE-4410938050 [0,1,0,1,0,0|2,0,0]=4 3597 B6R1.3 CNCC1CC1 MCULE-6365201280 [0,1,0,1,0,0|2,0,0]=4 3598 B6R1.3 COCC1CO1 MCULE-3193889854 [0,1,0,1,0,0|1,0,0]=3 3599 B6R1.3 COC[C@@H]1CO1 MCULE-8086795507 [0,1,0,1,0,0|1,0,0]=3 3600 B6R1.3 COC[C@@H]1CO1 MCULE-8921875584 [0,1,0,1,0,0|1,0,0]=3 3601 B6R1.3 COC[C@H]1CO1 MCULE-7210190703 [0,1,0,1,0,0|1,0,0]=3 3602 B6R1.3 COC[C@H]1CO1 MCULE-8979404390 [0,1,0,1,0,0|1,0,0]=3 3603 B6R1.3 CSCC1CO1 MCULE-9014850650 [0,1,0,1,0,0|1,0,0]=3 3604 B6R1.3 ClCCC1CC1 MCULE-5665496795 [0,1,0,1,0,0|1,1,0]=4 3605 B6R1.3 ClCCC1CO1 MCULE-2772510260 [0,1,0,1,0,0|0,1,0]=3 3606 B6R1.3 ICCC1CC1 MCULE-5518738700 [0,1,0,1,0,0|1,1,0]=4 3607 B6R1.3 N#CCC1CC1 MCULE-4951047709 [0,1,0,1,0,0|2,0,0]=4 3608 B6R1.3 NCCC1CC1 MCULE-8459735325 [0,1,0,1,0,0|2,0,0]=4 3609 B6R1.3 NCCC1CC1 MCULE-9646218986 [0,1,0,1,0,0|2,0,0]=4 3610 B6R1.3 NNCC1CC1 MCULE-4020404918 [0,1,0,1,0,0|2,0,0]=4 3611 B6R1.3 NNCC1CC1 MCULE-7742306770 [0,1,0,1,0,0|2,0,0]=4 3612 B6R1.3 NNCC1CC1 MCULE-8978618772 [0,1,0,1,0,0|2,0,0]=4 3613 B6R1.3 NOCC1CC1 MCULE-3594146552 [0,1,0,1,0,0|2,0,0]=4 3614 B6R1.3 NOCC1CC1 MCULE-7376211865 [0,1,0,1,0,0|2,0,0]=4 3615 B6R1.3 O=CCC1CC1 MCULE-3319649937 [0,1,0,1,0,0|2,0,0]=4 3616 B6R1.3 OCCC1CC1 MCULE-1360348684 [0,1,0,1,0,0|2,0,0]=4 3617 B6R1.3 OCCC1CO1 MCULE-6523000607 [0,1,0,1,0,0|1,0,0]=3 3618 B6R1.3 OCC[C@@H]1CO1 MCULE-4797533590 [0,1,0,1,0,0|1,0,0]=3 3619 B6R1.3 OCC[C@@H]1CO1 MCULE-6833850805 [0,1,0,1,0,0|1,0,0]=3 3620 B6R1.3 OCC[C@H]1CO1 MCULE-3560802495 [0,1,0,1,0,0|1,0,0]=3 3621 B6R1.3 OCC[C@H]1CO1 MCULE-8738926598 [0,1,0,1,0,0|1,0,0]=3 3622 B6R1.5 C=C1CC(C1)N MCULE-4635717695 [0,1,0,1,0,0|2,0,0]=4 3623 B6R1.5 C=C1CC(C1)N MCULE-6992894696 [0,1,0,1,0,0|2,0,0]=4 3624 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [0,1,0,1,0,0|2,0,0]=4 3625 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [0,1,0,1,0,0|2,0,0]=4 3626 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,1,0,1,0,0|1,0,0]=3 3627 B6R1.5 CC1CC(C1)N MCULE-5323299846 [0,1,0,1,0,0|2,0,0]=4 3628 B6R1.5 CC1CC(C1)N MCULE-9940885824 [0,1,0,1,0,0|2,0,0]=4 3629 B6R1.5 CC1CC(C1)O MCULE-8612661286 [0,1,0,1,0,0|1,0,0]=3 3630 B6R1.5 CC1CC(N1)C MCULE-2112479012 [0,1,0,1,0,0|2,0,0]=4 3631 B6R1.5 CC1CC(N1)C MCULE-4224653730 [0,1,0,1,0,0|2,0,0]=4 3632 B6R1.5 CN1CC(C1)Cl MCULE-8475620447 [0,1,0,1,0,0|2,0,0]=4 3633 B6R1.5 CN1CC(C1)Cl MCULE-8543507391 [0,1,0,1,0,0|2,0,0]=4 3634 B6R1.5 CN1CC(C1)N MCULE-2180239206 [0,1,0,1,0,0|2,0,0]=4 3635 B6R1.5 CN1CC(C1)N MCULE-4181047352 [0,1,0,1,0,0|2,0,0]=4 3636 B6R1.5 CN1CC(C1)O MCULE-2897194266 [0,1,0,1,0,0|1,0,0]=3 3637 B6R1.5 CN1CC(C1)O MCULE-3717153558 [0,1,0,1,0,0|1,0,0]=3 3638 B6R1.5 CN1CC(C1)O MCULE-7229396078 [0,1,0,1,0,0|1,0,0]=3 3639 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,1,0,1,0,0|1,0,0]=3 3640 B6R1.5 C[C@@H]1C[C@H](N1)C MCULE-1994890312 [0,1,0,1,0,0|2,0,0]=4 3641 B6R1.5 C[C@@H]1C[C@H](N1)C MCULE-7235151096 [0,1,0,1,0,0|2,0,0]=4 3642 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-1535311916 [0,1,0,1,0,0|2,0,0]=4 3643 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-2831484375 [0,1,0,1,0,0|2,0,0]=4 3644 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-4062075526 [0,1,0,1,0,0|2,0,0]=4 3645 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-8779826872 [0,1,0,1,0,0|2,0,0]=4 3646 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-9842353775 [0,1,0,1,0,0|2,0,0]=4 3647 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-9945333960 [0,1,0,1,0,0|2,0,0]=4 3648 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-7323273959 [0,1,0,1,0,0|2,0,0]=4 3649 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-9517005721 [0,1,0,1,0,0|2,0,0]=4 3650 B6R1.5 C[C@H]1C[C@H](C1)O MCULE-9757332081 [0,1,0,1,0,0|1,0,0]=3 3651 B6R1.5 C[C@H]1C[C@H](N1)C MCULE-1014047015 [0,1,0,1,0,0|2,0,0]=4 3652 B6R1.5 C[C@H]1C[C@H](N1)C MCULE-9280852387 [0,1,0,1,0,0|2,0,0]=4 3653 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [0,1,0,1,0,0|2,0,0]=4 3654 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [0,1,0,1,0,0|2,0,0]=4 3655 B6R1.5 NC1CC(C1)Br MCULE-1024702653 [0,1,0,1,0,0|1,0,0]=3 3656 B6R1.5 NC1CC(C1)Br MCULE-6956910745 [0,1,0,1,0,0|1,0,0]=3 3657 B6R1.5 NC1CC(C1)Cl MCULE-2079032271 [0,1,0,1,0,0|1,1,0]=4 3658 B6R1.5 NC1CC(C1)Cl MCULE-9907911910 [0,1,0,1,0,0|1,1,0]=4 3659 B6R1.5 NC1CC(C1)F MCULE-8668562856 [0,1,0,1,0,0|1,1,0]=4 3660 B6R1.5 NC1CC(C1)F MCULE-9413732351 [0,1,0,1,0,0|1,1,0]=4 3661 B6R1.5 NC1CC(C1)N MCULE-2499828215 [0,1,0,1,0,0|2,0,0]=4 3662 B6R1.5 NC1CC(C1)N MCULE-9585725038 [0,1,0,1,0,0|2,0,0]=4 3663 B6R1.5 NC1CC(C1)O MCULE-3800806511 [0,1,0,1,0,0|1,0,0]=3 3664 B6R1.5 NC1CC(C1)O MCULE-4101412744 [0,1,0,1,0,0|1,0,0]=3 3665 B6R1.5 NN1CC(C1)O MCULE-1883589988 [0,1,0,1,0,0|1,0,0]=3 3666 B6R1.5 NN1CC(C1)O MCULE-4736517920 [0,1,0,1,0,0|1,0,0]=3 3667 B6R1.5 N[C@H]1C[C@@H](C1)Br MCULE-2563959776 [0,1,0,1,0,0|1,0,0]=3 3668 B6R1.5 N[C@H]1C[C@@H](C1)Br MCULE-4159438704 [0,1,0,1,0,0|1,0,0]=3 3669 B6R1.5 N[C@H]1C[C@@H](C1)F MCULE-1693657713 [0,1,0,1,0,0|1,1,0]=4 3670 B6R1.5 N[C@H]1C[C@@H](C1)F MCULE-2842964955 [0,1,0,1,0,0|1,1,0]=4 3671 B6R1.5 N[C@H]1C[C@@H](C1)N MCULE-7371432215 [0,1,0,1,0,0|2,0,0]=4 3672 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-3690359453 [0,1,0,1,0,0|1,0,0]=3 3673 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-6031478808 [0,1,0,1,0,0|1,0,0]=3 3674 B6R1.5 N[C@H]1C[C@H](C1)F MCULE-7248556800 [0,1,0,1,0,0|1,1,0]=4 3675 B6R1.5 N[C@H]1C[C@H](C1)F MCULE-8169894230 [0,1,0,1,0,0|1,1,0]=4 3676 B6R1.5 N[C@H]1C[C@H](C1)N MCULE-2358029728 [0,1,0,1,0,0|2,0,0]=4 3677 B6R1.5 N[C@H]1C[C@H](C1)N MCULE-8703864989 [0,1,0,1,0,0|2,0,0]=4 3678 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2367486822 [0,1,0,1,0,0|1,0,0]=3 3679 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2477923057 [0,1,0,1,0,0|1,0,0]=3 3680 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [0,1,0,1,0,0|0,0,2]=4 3681 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [0,1,0,1,0,0|2,0,0]=4 3682 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [0,1,0,1,0,0|1,0,0]=3 3683 B6R1.5 OC1CC(C1)Br MCULE-8550195809 [0,1,0,1,0,0|0,0,0]=2 3684 B6R1.5 OC1CC(C1)F MCULE-7130501241 [0,1,0,1,0,0|0,1,0]=3 3685 B6R1.5 OC1CC(C1)O MCULE-4391504671 [0,1,0,1,0,0|1,0,0]=3 3686 B6R1.5 O[C@H]1C[C@@H](C1)F MCULE-8960643165 [0,1,0,1,0,0|0,1,0]=3 3687 B6R1.5 O[C@H]1C[C@@H](C1)O MCULE-5524471729 [0,1,0,1,0,0|1,0,0]=3 3688 B6R1.5 O[C@H]1C[C@H](C1)O MCULE-7725166436 [0,1,0,1,0,0|1,0,0]=3 3689 B6R1.5 [C@@H]1(C[C@@H](C1)N)N MCULE-6268630823 [0,1,0,1,0,0|2,0,0]=4 3690 B6R1.5 [C@@H]1(C[C@H](C1)F)O MCULE-5214761916 [0,1,0,1,0,0|0,1,0]=3 3691 B6R1.8 C=C1CC1CO MCULE-4338601055 [0,1,0,1,0,0|1,0,1]=4 3692 B6R1.8 CC1CC1C#N MCULE-4373618430 [0,1,0,1,0,0|2,0,0]=4 3693 B6R1.8 CC1CC1C=O MCULE-2600627355 [0,1,0,1,0,0|1,0,1]=4 3694 B6R1.8 CC1CC1CN MCULE-2810102174 [0,1,0,1,0,0|2,0,0]=4 3695 B6R1.8 CC1CC1CN MCULE-7518062300 [0,1,0,1,0,0|2,0,0]=4 3696 B6R1.8 CC1CC1CO MCULE-5196594569 [0,1,0,1,0,0|1,0,0]=3 3697 B6R1.8 CC1OC1CBr MCULE-3133107383 [0,1,0,1,0,0|0,0,0]=2 3698 B6R1.8 CC1OC1CO MCULE-1680425960 [0,1,0,1,0,0|1,0,0]=3 3699 B6R1.8 CCC1CC1N MCULE-6304873051 [0,1,0,1,0,0|2,0,0]=4 3700 B6R1.8 CC[C@@H]1C[C@@H]1N MCULE-9218626187 [0,1,0,1,0,0|2,0,0]=4 3701 B6R1.8 CC[C@@H]1C[C@H]1N MCULE-5365117215 [0,1,0,1,0,0|2,0,0]=4 3702 B6R1.8 CC[C@@H]1C[C@H]1N MCULE-9993971387 [0,1,0,1,0,0|2,0,0]=4 3703 B6R1.8 CC[C@H]1C[C@@H]1N MCULE-5971477946 [0,1,0,1,0,0|2,0,0]=4 3704 B6R1.8 CC[C@H]1C[C@H]1N MCULE-4387456908 [0,1,0,1,0,0|2,0,0]=4 3705 B6R1.8 COC1CC1N MCULE-6836691149 [0,1,0,1,0,0|1,0,0]=3 3706 B6R1.8 COC1CC1N MCULE-9062056960 [0,1,0,1,0,0|1,0,0]=3 3707 B6R1.8 CO[C@@H]1C[C@@H]1N MCULE-6456572695 [0,1,0,1,0,0|1,0,0]=3 3708 B6R1.8 CO[C@@H]1C[C@@H]1N MCULE-9755300484 [0,1,0,1,0,0|1,0,0]=3 3709 B6R1.8 CO[C@@H]1C[C@H]1N MCULE-3862342520 [0,1,0,1,0,0|1,0,0]=3 3710 B6R1.8 CO[C@@H]1C[C@H]1N MCULE-4120361377 [0,1,0,1,0,0|1,0,0]=3 3711 B6R1.8 CO[C@H]1C[C@@H]1N MCULE-6295001950 [0,1,0,1,0,0|1,0,0]=3 3712 B6R1.8 CO[C@H]1C[C@@H]1N MCULE-7524472312 [0,1,0,1,0,0|1,0,0]=3 3713 B6R1.8 CO[C@H]1C[C@H]1N MCULE-3000810470 [0,1,0,1,0,0|1,0,0]=3 3714 B6R1.8 CO[C@H]1C[C@H]1N MCULE-6255571706 [0,1,0,1,0,0|1,0,0]=3 3715 B6R1.8 C[C@@H]1C[C@@H]1CN MCULE-5971817939 [0,1,0,1,0,0|2,0,0]=4 3716 B6R1.8 C[C@@H]1C[C@@H]1CO MCULE-7143685612 [0,1,0,1,0,0|1,0,0]=3 3717 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3418148363 [0,1,0,1,0,0|2,0,0]=4 3718 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3519756910 [0,1,0,1,0,0|2,0,0]=4 3719 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3649923384 [0,1,0,1,0,0|2,0,0]=4 3720 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-8330237030 [0,1,0,1,0,0|2,0,0]=4 3721 B6R1.8 C[C@@H]1C[C@H]1CO MCULE-3741611930 [0,1,0,1,0,0|1,0,0]=3 3722 B6R1.8 C[C@H]1C[C@@H]1CN MCULE-9856477951 [0,1,0,1,0,0|2,0,0]=4 3723 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-2846304871 [0,1,0,1,0,0|1,0,0]=3 3724 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-9275931471 [0,1,0,1,0,0|1,0,0]=3 3725 B6R1.8 C[C@H]1C[C@H]1CN MCULE-4949172422 [0,1,0,1,0,0|2,0,0]=4 3726 B6R1.8 C[C@H]1C[C@H]1CO MCULE-3828120088 [0,1,0,1,0,0|1,0,0]=3 3727 B6R1.8 C[C@H]1C[C@H]1CO MCULE-8442952820 [0,1,0,1,0,0|1,0,0]=3 3728 B6R1.8 N#CC1CC1N MCULE-2917743786 [0,1,0,1,0,0|2,0,0]=4 3729 B6R1.8 N#CC1CC1N MCULE-6566554188 [0,1,0,1,0,0|2,0,0]=4 3730 B6R1.8 N#C[C@@H]1C[C@@H]1F MCULE-1410853829 [0,1,0,1,0,0|1,1,0]=4 3731 B6R1.8 N#C[C@H]1C[C@@H]1F MCULE-4546872877 [0,1,0,1,0,0|1,1,0]=4 3732 B6R1.8 N#C[C@H]1C[C@@H]1F MCULE-5765890863 [0,1,0,1,0,0|1,1,0]=4 3733 B6R1.8 N#C[C@H]1C[C@H]1F MCULE-4724318472 [0,1,0,1,0,0|1,1,0]=4 3734 B6R1.8 NC1CC1CO MCULE-7666097515 [0,1,0,1,0,0|1,0,0]=3 3735 B6R1.8 NCC1CC1N MCULE-4864283129 [0,1,0,1,0,0|2,0,0]=4 3736 B6R1.8 NCC1CC1N MCULE-7029010792 [0,1,0,1,0,0|2,0,0]=4 3737 B6R1.8 O=CC1CC1Cl MCULE-5539872961 [0,1,0,1,0,0|0,1,1]=4 3738 B6R1.8 OCC1CC1Cl MCULE-1321755136 [0,1,0,1,0,0|0,1,0]=3 3739 B6R1.8 OCC1C[C@@H]1F MCULE-2637570432 [0,1,0,1,0,0|0,1,0]=3 3740 B6R1.8 OC[C@@H]1C[C@@H]1F MCULE-9090620006 [0,1,0,1,0,0|0,1,0]=3 3741 B6R1.8 OC[C@@H]1C[C@H]1Br MCULE-8344332753 [0,1,0,1,0,0|0,0,0]=2 3742 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-6282037947 [0,1,0,1,0,0|0,1,0]=3 3743 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-8944803823 [0,1,0,1,0,0|0,1,0]=3 3744 B6R1.8 OC[C@H]1C[C@@H]1F MCULE-3157094299 [0,1,0,1,0,0|0,1,0]=3 3745 B6R1.9 CC1(CC1Br)C MCULE-4060390279 [0,1,0,1,0,0|1,0,0]=3 3746 B6R1.9 CC1(CC1Br)N MCULE-2545863228 [0,1,0,1,0,0|1,0,0]=3 3747 B6R1.9 CC1(CC1Br)N MCULE-6976008667 [0,1,0,1,0,0|1,0,0]=3 3748 B6R1.9 CC1(CC1N)C MCULE-3767513819 [0,1,0,1,0,0|2,0,0]=4 3749 B6R1.9 CC1(CC1N)C MCULE-9259559793 [0,1,0,1,0,0|2,0,0]=4 3750 B6R1.9 CC1(CC1O)C MCULE-2207251369 [0,1,0,1,0,0|1,0,0]=3 3751 B6R1.9 CC1(C[C@@H]1N)C MCULE-8232974349 [0,1,0,1,0,0|2,0,0]=4 3752 B6R1.9 CC1(C[C@@H]1N)C MCULE-9299327749 [0,1,0,1,0,0|2,0,0]=4 3753 B6R1.9 CC1(C[C@H]1N)C MCULE-2015844172 [0,1,0,1,0,0|2,0,0]=4 3754 B6R1.9 CC1(C[C@H]1N)C MCULE-8301129744 [0,1,0,1,0,0|2,0,0]=4 3755 B6R1.9 CC1CC1(C)N MCULE-2748884505 [0,1,0,1,0,0|2,0,0]=4 3756 B6R1.9 CC1CC1(C)N MCULE-6309103404 [0,1,0,1,0,0|2,0,0]=4 3757 B6R1.9 CC1OC1(C)C MCULE-6556425885 [0,1,0,1,0,0|1,0,0]=3 3758 B6R1.9 FC1(CC1Br)F MCULE-5007635902 [0,1,0,1,0,0|1,0,0]=3 3759 B6R1.9 NC1CC1(F)F MCULE-2003011750 [0,1,0,1,0,0|1,1,0]=4 3760 B6R1.9 NC1CC1(F)F MCULE-7089924421 [0,1,0,1,0,0|1,1,0]=4 3761 B6R1.9 NC1CC1(F)F MCULE-7356261907 [0,1,0,1,0,0|1,1,0]=4 3762 B6R1.9 NC1CC1(F)F MCULE-9011855744 [0,1,0,1,0,0|1,1,0]=4 3763 B6R1.9 N[C@@H]1CC1(F)F MCULE-1053742798 [0,1,0,1,0,0|1,1,0]=4 3764 B6R1.9 N[C@@H]1CC1(F)F MCULE-9077998884 [0,1,0,1,0,0|1,1,0]=4 3765 B6R1.9 N[C@H]1CC1(F)F MCULE-5518291494 [0,1,0,1,0,0|1,1,0]=4 3766 B6R1.9 N[C@H]1CC1(F)F MCULE-8293867852 [0,1,0,1,0,0|1,1,0]=4 3767 B6R1.9 OC1CC1(F)F MCULE-7582982777 [0,1,0,1,0,0|0,1,0]=3 3768 B6R1.10 CC1(CCC1)N MCULE-1932351179 [0,1,0,1,0,0|2,0,0]=4 3769 B6R1.10 CC1(CCC1)N MCULE-9177696302 [0,1,0,1,0,0|2,0,0]=4 3770 B6R1.10 CC1(CCC1)O MCULE-4021675717 [0,1,0,1,0,0|1,0,0]=3 3771 B6R1.10 CC1(CCN1)C MCULE-2285435720 [0,1,0,1,0,0|2,0,0]=4 3772 B6R1.10 CC1(CCN1)C MCULE-3069932253 [0,1,0,1,0,0|2,0,0]=4 3773 B6R1.10 CC1(CNC1)C MCULE-3517219548 [0,1,0,1,0,0|2,0,0]=4 3774 B6R1.10 CC1(CNC1)C MCULE-5061041754 [0,1,0,1,0,0|2,0,0]=4 3775 B6R1.10 CC1(CNC1)C MCULE-5492476724 [0,1,0,1,0,0|2,0,0]=4 3776 B6R1.10 CC1(CNC1)Cl MCULE-3595140428 [0,1,0,1,0,0|2,0,0]=4 3777 B6R1.10 CC1(CNC1)Cl MCULE-8438469477 [0,1,0,1,0,0|2,0,0]=4 3778 B6R1.10 CC1(CNC1)F MCULE-7000543505 [0,1,0,1,0,0|2,0,0]=4 3779 B6R1.10 CC1(CNC1)F MCULE-7759338569 [0,1,0,1,0,0|2,0,0]=4 3780 B6R1.10 CC1(CNC1)F MCULE-9304965411 [0,1,0,1,0,0|2,0,0]=4 3781 B6R1.10 CC1(CNC1)N MCULE-1173151740 [0,1,0,1,0,0|2,0,0]=4 3782 B6R1.10 CC1(CNC1)N MCULE-6392665768 [0,1,0,1,0,0|2,0,0]=4 3783 B6R1.10 CC1(CNC1)O MCULE-3071077269 [0,1,0,1,0,0|1,0,0]=3 3784 B6R1.10 CC1(CNC1)O MCULE-9470244891 [0,1,0,1,0,0|1,0,0]=3 3785 B6R1.10 CC1(COC1)C MCULE-9708520911 [0,1,0,1,0,0|2,0,0]=4 3786 B6R1.10 CC1(COC1)N MCULE-4010481806 [0,1,0,1,0,0|2,0,0]=4 3787 B6R1.10 CC1(COC1)N MCULE-5777029344 [0,1,0,1,0,0|2,0,0]=4 3788 B6R1.10 CC1(COC1)N MCULE-6613141585 [0,1,0,1,0,0|2,0,0]=4 3789 B6R1.10 CC1(COC1)O MCULE-9813168910 [0,1,0,1,0,0|1,0,0]=3 3790 B6R1.10 CC1(CSC1)N MCULE-7421240458 [0,1,0,1,0,0|2,0,0]=4 3791 B6R1.10 CC1(CSC1)N MCULE-9910201476 [0,1,0,1,0,0|2,0,0]=4 3792 B6R1.10 CC1(CSC1)O MCULE-9703448589 [0,1,0,1,0,0|1,0,0]=3 3793 B6R1.10 FC1(CNC1)F MCULE-2222992288 [0,1,0,1,0,0|2,0,0]=4 3794 B6R1.10 FC1(CNC1)F MCULE-3193422535 [0,1,0,1,0,0|2,0,0]=4 3795 B6R1.10 FC1(COC1)F MCULE-3409014198 [0,1,0,1,0,0|2,0,0]=4 3796 B6R1.11 C=C(C)C1CO1 MCULE-3656533343 [0,1,0,1,0,0|1,0,1]=4 3797 B6R1.11 C=C(Cl)C1CO1 MCULE-5190310903 [0,1,0,1,0,0|0,1,1]=4 3798 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [0,1,0,1,0,0|1,0,1]=4 3799 B6R1.11 CC(C)C1CO1 MCULE-6294069717 [0,1,0,1,0,0|1,0,0]=3 3800 B6R1.11 CC(C)[C@@H]1CO1 MCULE-9181831987 [0,1,0,1,0,0|1,0,0]=3 3801 B6R1.11 CC(C)[C@H]1CO1 MCULE-1978831452 [0,1,0,1,0,0|1,0,0]=3 3802 B6R1.11 CC(Cl)C1CC1 MCULE-7361335709 [0,1,0,1,0,0|1,1,0]=4 3803 B6R1.11 CC(N)C1CC1 MCULE-2052303800 [0,1,0,1,0,0|2,0,0]=4 3804 B6R1.11 CC(N)C1CC1 MCULE-3007763115 [0,1,0,1,0,0|2,0,0]=4 3805 B6R1.11 CC(N)C1CC1 MCULE-3459276996 [0,1,0,1,0,0|2,0,0]=4 3806 B6R1.11 CC(N)C1CC1 MCULE-6761961556 [0,1,0,1,0,0|2,0,0]=4 3807 B6R1.11 CC(O)C1CC1 MCULE-8628810684 [0,1,0,1,0,0|1,0,0]=3 3808 B6R1.11 CC(O)C1CO1 MCULE-2044990126 [0,1,0,1,0,0|1,0,0]=3 3809 B6R1.11 C[C@@H](N)C1CC1 MCULE-2097889079 [0,1,0,1,0,0|2,0,0]=4 3810 B6R1.11 C[C@@H](N)C1CC1 MCULE-3667125695 [0,1,0,1,0,0|2,0,0]=4 3811 B6R1.11 C[C@@H](N)C1CC1 MCULE-4529741221 [0,1,0,1,0,0|2,0,0]=4 3812 B6R1.11 C[C@@H](N)C1CC1 MCULE-4996656085 [0,1,0,1,0,0|2,0,0]=4 3813 B6R1.11 C[C@@H](O)C1CC1 MCULE-8359847821 [0,1,0,1,0,0|1,0,0]=3 3814 B6R1.11 C[C@H](N)C1CC1 MCULE-5080052640 [0,1,0,1,0,0|2,0,0]=4 3815 B6R1.11 C[C@H](N)C1CC1 MCULE-8331040870 [0,1,0,1,0,0|2,0,0]=4 3816 B6R1.11 C[C@H](N)C1CC1 MCULE-8367240790 [0,1,0,1,0,0|2,0,0]=4 3817 B6R1.11 C[C@H](N)C1CC1 MCULE-8726268701 [0,1,0,1,0,0|2,0,0]=4 3818 B6R1.11 C[C@H](O)C1CC1 MCULE-2458075152 [0,1,0,1,0,0|1,0,0]=3 3819 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,1,0,1,0,0|1,0,1]=4 3820 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [0,1,0,1,0,0|1,0,1]=4 3821 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [0,1,0,1,0,0|1,0,1]=4 3822 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [0,1,0,1,0,0|1,0,1]=4 3823 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [0,1,0,1,0,0|1,0,1]=4 3824 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [0,1,0,1,0,0|1,0,1]=4 3825 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [0,1,0,1,0,0|1,0,1]=4 3826 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [0,1,0,1,0,0|1,0,1]=4 3827 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [0,1,0,1,0,0|1,0,1]=4 3828 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [0,1,0,1,0,0|1,0,1]=4 3829 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [0,1,0,1,0,0|1,0,1]=4 3830 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,1,0,1,0,0|1,0,1]=4 3831 B6R1.4 CC1CCC1N MCULE-9634057678 [0,1,0,1,0,0|2,0,0]=4 3832 B6R1.4 CC1CCC1N MCULE-9849489304 [0,1,0,1,0,0|2,0,0]=4 3833 B6R1.4 CC1CCC1O MCULE-3852133104 [0,1,0,1,0,0|1,0,0]=3 3834 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,1,0,1,0,0|1,0,1]=4 3835 B6R1.4 CC1CNC1C MCULE-6217110869 [0,1,0,1,0,0|2,0,0]=4 3836 B6R1.4 CC1CNC1C MCULE-8966220604 [0,1,0,1,0,0|2,0,0]=4 3837 B6R1.4 CC1COC1=O MCULE-9711165188 [0,1,0,1,0,0|1,0,1]=4 3838 B6R1.4 CC1NCC1F MCULE-2205876595 [0,1,0,1,0,0|1,1,0]=4 3839 B6R1.4 CC1NCC1F MCULE-3575637458 [0,1,0,1,0,0|1,1,0]=4 3840 B6R1.4 CC1NCC1O MCULE-6512695808 [0,1,0,1,0,0|1,0,0]=3 3841 B6R1.4 CC1NCC1O MCULE-8357296054 [0,1,0,1,0,0|1,0,0]=3 3842 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,1,0,1,0,0|1,0,1]=4 3843 B6R1.4 CC1OCC1O MCULE-1893283492 [0,1,0,1,0,0|1,0,0]=3 3844 B6R1.4 C[C@@H]1CC[C@@H]1N MCULE-9803413081 [0,1,0,1,0,0|2,0,0]=4 3845 B6R1.4 C[C@@H]1CC[C@H]1N MCULE-3888655890 [0,1,0,1,0,0|2,0,0]=4 3846 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-5099590573 [0,1,0,1,0,0|2,0,0]=4 3847 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-6754257002 [0,1,0,1,0,0|2,0,0]=4 3848 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-7084262632 [0,1,0,1,0,0|2,0,0]=4 3849 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-9147724667 [0,1,0,1,0,0|2,0,0]=4 3850 B6R1.4 C[C@@H]1NC[C@@H]1F MCULE-2104999017 [0,1,0,1,0,0|1,1,0]=4 3851 B6R1.4 C[C@@H]1NC[C@@H]1F MCULE-9859591204 [0,1,0,1,0,0|1,1,0]=4 3852 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-1528414534 [0,1,0,1,0,0|1,0,0]=3 3853 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-2910306067 [0,1,0,1,0,0|1,0,0]=3 3854 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3197698089 [0,1,0,1,0,0|1,0,0]=3 3855 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3295326997 [0,1,0,1,0,0|1,0,0]=3 3856 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-5640695802 [0,1,0,1,0,0|1,0,0]=3 3857 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-7598216076 [0,1,0,1,0,0|1,0,0]=3 3858 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-2384338566 [0,1,0,1,0,0|1,1,0]=4 3859 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-3761027062 [0,1,0,1,0,0|1,1,0]=4 3860 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-7625337051 [0,1,0,1,0,0|1,1,0]=4 3861 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-8482078532 [0,1,0,1,0,0|1,1,0]=4 3862 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3152396704 [0,1,0,1,0,0|1,0,0]=3 3863 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3248209918 [0,1,0,1,0,0|1,0,0]=3 3864 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3575939824 [0,1,0,1,0,0|1,0,0]=3 3865 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-4120662394 [0,1,0,1,0,0|1,0,0]=3 3866 B6R1.4 C[C@H]1CC[C@@H]1N MCULE-1445146965 [0,1,0,1,0,0|2,0,0]=4 3867 B6R1.4 C[C@H]1CC[C@H]1N MCULE-3329522369 [0,1,0,1,0,0|2,0,0]=4 3868 B6R1.4 C[C@H]1NC[C@@H]1F MCULE-6266484815 [0,1,0,1,0,0|1,1,0]=4 3869 B6R1.4 C[C@H]1NC[C@@H]1F MCULE-9525975864 [0,1,0,1,0,0|1,1,0]=4 3870 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-3510002118 [0,1,0,1,0,0|1,0,0]=3 3871 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-6901722671 [0,1,0,1,0,0|1,0,0]=3 3872 B6R1.4 C[C@H]1NC[C@H]1F MCULE-6303998999 [0,1,0,1,0,0|1,1,0]=4 3873 B6R1.4 C[C@H]1NC[C@H]1F MCULE-8897044344 [0,1,0,1,0,0|1,1,0]=4 3874 B6R1.4 C[C@H]1NC[C@H]1O MCULE-1733557375 [0,1,0,1,0,0|1,0,0]=3 3875 B6R1.4 C[C@H]1NC[C@H]1O MCULE-3026150373 [0,1,0,1,0,0|1,0,0]=3 3876 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7386387747 [0,1,0,1,0,0|1,0,0]=3 3877 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7405032693 [0,1,0,1,0,0|1,0,0]=3 3878 B6R1.4 NC1CCC1F MCULE-1403984623 [0,1,0,1,0,0|1,1,0]=4 3879 B6R1.4 NC1CCC1F MCULE-8216841286 [0,1,0,1,0,0|1,1,0]=4 3880 B6R1.4 NC1CCC1N MCULE-6052332328 [0,1,0,1,0,0|2,0,0]=4 3881 B6R1.4 NC1CCC1O MCULE-4636397534 [0,1,0,1,0,0|1,0,0]=3 3882 B6R1.4 NC1CCC1O MCULE-7148132261 [0,1,0,1,0,0|1,0,0]=3 3883 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-1054283097 [0,1,0,1,0,0|1,0,0]=3 3884 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-3905992171 [0,1,0,1,0,0|1,0,0]=3 3885 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-6111990015 [0,1,0,1,0,0|1,0,0]=3 3886 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-9101755956 [0,1,0,1,0,0|1,0,0]=3 3887 B6R1.4 N[C@@H]1CC[C@H]1N MCULE-6204977772 [0,1,0,1,0,0|2,0,0]=4 3888 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-1883601377 [0,1,0,1,0,0|1,0,0]=3 3889 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-6045787726 [0,1,0,1,0,0|1,0,0]=3 3890 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-7120290402 [0,1,0,1,0,0|1,0,0]=3 3891 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-8603369729 [0,1,0,1,0,0|1,0,0]=3 3892 B6R1.4 N[C@H]1CC[C@@H]1N MCULE-3551063683 [0,1,0,1,0,0|2,0,0]=4 3893 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-1761694918 [0,1,0,1,0,0|1,0,0]=3 3894 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-2828590958 [0,1,0,1,0,0|1,0,0]=3 3895 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-3261752057 [0,1,0,1,0,0|1,0,0]=3 3896 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-7711512049 [0,1,0,1,0,0|1,0,0]=3 3897 B6R1.4 N[C@H]1CC[C@H]1N MCULE-2823061893 [0,1,0,1,0,0|2,0,0]=4 3898 B6R1.4 N[C@H]1CC[C@H]1N MCULE-6752412872 [0,1,0,1,0,0|2,0,0]=4 3899 B6R1.4 N[C@H]1CC[C@H]1O MCULE-3204268809 [0,1,0,1,0,0|1,0,0]=3 3900 B6R1.4 N[C@H]1CC[C@H]1O MCULE-4184135738 [0,1,0,1,0,0|1,0,0]=3 3901 B6R1.4 O=C1CCC1Br MCULE-1088592133 [0,1,0,1,0,0|0,0,2]=4 3902 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,1,0,1,0,0|1,0,1]=4 3903 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [0,1,0,1,0,0|0,0,2]=4 3904 B6R1.4 OC1CCC1O MCULE-3286787157 [0,1,0,1,0,0|1,0,0]=3 3905 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-5060593050 [0,1,0,1,0,0|1,0,0]=3 3906 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-6357622033 [0,1,0,1,0,0|1,0,0]=3 3907 B6R1.4 O[C@H]1CC[C@H]1O MCULE-7964152901 [0,1,0,1,0,0|1,0,0]=3 3908 B6R1.6 BrCC1CCC1 MCULE-6307620219 [0,1,0,1,0,0|1,0,0]=3 3909 B6R1.6 BrCC1CCO1 MCULE-8997197221 [0,1,0,1,0,0|0,0,0]=2 3910 B6R1.6 BrCC1CNC1 MCULE-5889797727 [0,1,0,1,0,0|1,0,0]=3 3911 B6R1.6 BrCC1CNC1 MCULE-7668948015 [0,1,0,1,0,0|1,0,0]=3 3912 B6R1.6 BrCC1COC1 MCULE-3267235863 [0,1,0,1,0,0|0,0,0]=2 3913 B6R1.6 BrC[C@@H]1CCO1 MCULE-5332541596 [0,1,0,1,0,0|0,0,0]=2 3914 B6R1.6 BrC[C@H]1CCO1 MCULE-4327725094 [0,1,0,1,0,0|0,0,0]=2 3915 B6R1.6 BrC[C@H]1CCO1 MCULE-5319595119 [0,1,0,1,0,0|0,0,0]=2 3916 B6R1.6 C#CC1CCC1 MCULE-3076610847 [0,1,0,1,0,0|2,0,0]=4 3917 B6R1.6 C#CC1CCO1 MCULE-6571223458 [0,1,0,1,0,0|1,0,1]=4 3918 B6R1.6 C#CC1CNC1 MCULE-4651971465 [0,1,0,1,0,0|2,0,0]=4 3919 B6R1.6 C#CC1CNC1 MCULE-9377887865 [0,1,0,1,0,0|2,0,0]=4 3920 B6R1.6 C#CC1COC1 MCULE-8724712442 [0,1,0,1,0,0|1,0,1]=4 3921 B6R1.6 C1(CCN1)CO MCULE-6309114010 [0,1,0,1,0,0|2,0,0]=4 3922 B6R1.6 C=CC1CNC1 MCULE-9929515921 [0,1,0,1,0,0|2,0,0]=4 3923 B6R1.6 CCC1CCN1 MCULE-2791335818 [0,1,0,1,0,0|2,0,0]=4 3924 B6R1.6 CCC1CCN1 MCULE-3929810240 [0,1,0,1,0,0|2,0,0]=4 3925 B6R1.6 CCC1CNC1 MCULE-5314495230 [0,1,0,1,0,0|2,0,0]=4 3926 B6R1.6 CCC1CNC1 MCULE-6675770601 [0,1,0,1,0,0|2,0,0]=4 3927 B6R1.6 CNC1CCC1 MCULE-1364608179 [0,1,0,1,0,0|2,0,0]=4 3928 B6R1.6 CNC1CCC1 MCULE-2951993315 [0,1,0,1,0,0|2,0,0]=4 3929 B6R1.6 CNC1CCN1 MCULE-7769870554 [0,1,0,1,0,0|2,0,0]=4 3930 B6R1.6 CNC1CCN1 MCULE-9764026934 [0,1,0,1,0,0|2,0,0]=4 3931 B6R1.6 CNC1CNC1 MCULE-1099597328 [0,1,0,1,0,0|2,0,0]=4 3932 B6R1.6 CNC1CNC1 MCULE-1308867000 [0,1,0,1,0,0|2,0,0]=4 3933 B6R1.6 CNC1COC1 MCULE-2040978636 [0,1,0,1,0,0|2,0,0]=4 3934 B6R1.6 CNC1COC1 MCULE-3130259264 [0,1,0,1,0,0|2,0,0]=4 3935 B6R1.6 CNC1COC1 MCULE-4618612030 [0,1,0,1,0,0|2,0,0]=4 3936 B6R1.6 CNC1CSC1 MCULE-6729829548 [0,1,0,1,0,0|2,0,0]=4 3937 B6R1.6 CNC1CSC1 MCULE-7173779891 [0,1,0,1,0,0|2,0,0]=4 3938 B6R1.6 COC1CNC1 MCULE-1522685592 [0,1,0,1,0,0|1,0,0]=3 3939 B6R1.6 COC1CNC1 MCULE-4835486151 [0,1,0,1,0,0|1,0,0]=3 3940 B6R1.6 CSC1CNC1 MCULE-2006549414 [0,1,0,1,0,0|1,1,0]=4 3941 B6R1.6 CSC1CNC1 MCULE-6024405532 [0,1,0,1,0,0|1,1,0]=4 3942 B6R1.6 ClCC1CCC1 MCULE-2464596839 [0,1,0,1,0,0|1,1,0]=4 3943 B6R1.6 ClCC1CCO1 MCULE-3809712491 [0,1,0,1,0,0|0,1,0]=3 3944 B6R1.6 ClCC1CNC1 MCULE-2451543932 [0,1,0,1,0,0|1,1,0]=4 3945 B6R1.6 ClCC1CNC1 MCULE-9626195989 [0,1,0,1,0,0|1,1,0]=4 3946 B6R1.6 ClCC1COC1 MCULE-1144637548 [0,1,0,1,0,0|0,1,0]=3 3947 B6R1.6 FCC1CCN1 MCULE-1368993155 [0,1,0,1,0,0|1,1,0]=4 3948 B6R1.6 FCC1CCN1 MCULE-8515014805 [0,1,0,1,0,0|1,1,0]=4 3949 B6R1.6 FCC1CCN1 MCULE-9723993015 [0,1,0,1,0,0|1,1,0]=4 3950 B6R1.6 FCC1CNC1 MCULE-4813599184 [0,1,0,1,0,0|1,1,0]=4 3951 B6R1.6 FCC1CNC1 MCULE-5694626686 [0,1,0,1,0,0|1,1,0]=4 3952 B6R1.6 FC[C@@H]1CCN1 MCULE-3863169127 [0,1,0,1,0,0|1,1,0]=4 3953 B6R1.6 FC[C@@H]1CCN1 MCULE-6069828502 [0,1,0,1,0,0|1,1,0]=4 3954 B6R1.6 FC[C@@H]1CCN1 MCULE-7267455157 [0,1,0,1,0,0|1,1,0]=4 3955 B6R1.6 FC[C@@H]1CCN1 MCULE-8157561423 [0,1,0,1,0,0|1,1,0]=4 3956 B6R1.6 FC[C@H]1CCN1 MCULE-3092369600 [0,1,0,1,0,0|1,1,0]=4 3957 B6R1.6 FC[C@H]1CCN1 MCULE-6708783004 [0,1,0,1,0,0|1,1,0]=4 3958 B6R1.6 ICC1CCC1 MCULE-7767711699 [0,1,0,1,0,0|1,1,0]=4 3959 B6R1.6 ICC1CCO1 MCULE-4132798336 [0,1,0,1,0,0|0,1,0]=3 3960 B6R1.6 ICC1COC1 MCULE-6325029437 [0,1,0,1,0,0|0,1,0]=3 3961 B6R1.6 N#CC1CCC1 MCULE-3335810526 [0,1,0,1,0,0|2,0,0]=4 3962 B6R1.6 N#CC1CNC1 MCULE-2385981463 [0,1,0,1,0,0|2,0,0]=4 3963 B6R1.6 N#CC1CNC1 MCULE-6516721657 [0,1,0,1,0,0|2,0,0]=4 3964 B6R1.6 N#CC1COC1 MCULE-8173442458 [0,1,0,1,0,0|1,0,1]=4 3965 B6R1.6 N#CC1CSC1 MCULE-8903032109 [0,1,0,1,0,0|2,0,0]=4 3966 B6R1.6 NCC1CCC1 MCULE-4977602211 [0,1,0,1,0,0|2,0,0]=4 3967 B6R1.6 NCC1CCC1 MCULE-8434128112 [0,1,0,1,0,0|2,0,0]=4 3968 B6R1.6 NCC1CCN1 MCULE-4988917629 [0,1,0,1,0,0|2,0,0]=4 3969 B6R1.6 NCC1CCN1 MCULE-5495577627 [0,1,0,1,0,0|2,0,0]=4 3970 B6R1.6 NCC1CCN1 MCULE-7749596260 [0,1,0,1,0,0|2,0,0]=4 3971 B6R1.6 NCC1CCO1 MCULE-4478591600 [0,1,0,1,0,0|1,0,0]=3 3972 B6R1.6 NCC1CCS1 MCULE-4026106833 [0,1,0,1,0,0|1,1,0]=4 3973 B6R1.6 NCC1CCS1 MCULE-5342015412 [0,1,0,1,0,0|1,1,0]=4 3974 B6R1.6 NCC1CNC1 MCULE-7601725567 [0,1,0,1,0,0|2,0,0]=4 3975 B6R1.6 NCC1CNC1 MCULE-7948891652 [0,1,0,1,0,0|2,0,0]=4 3976 B6R1.6 NCC1COC1 MCULE-4685637013 [0,1,0,1,0,0|1,0,0]=3 3977 B6R1.6 NCC1COC1 MCULE-6896653344 [0,1,0,1,0,0|1,0,0]=3 3978 B6R1.6 NCC1CSC1 MCULE-2317140221 [0,1,0,1,0,0|1,1,0]=4 3979 B6R1.6 NCC1CSC1 MCULE-2885312159 [0,1,0,1,0,0|1,1,0]=4 3980 B6R1.6 NC[C@@H]1CCO1 MCULE-2375359339 [0,1,0,1,0,0|1,0,0]=3 3981 B6R1.6 NC[C@@H]1CCO1 MCULE-4004256578 [0,1,0,1,0,0|1,0,0]=3 3982 B6R1.6 NC[C@H]1CCN1 MCULE-2270552795 [0,1,0,1,0,0|2,0,0]=4 3983 B6R1.6 NC[C@H]1CCN1 MCULE-2882990554 [0,1,0,1,0,0|2,0,0]=4 3984 B6R1.6 NC[C@H]1CCO1 MCULE-2811111103 [0,1,0,1,0,0|1,0,0]=3 3985 B6R1.6 NC[C@H]1CCO1 MCULE-4329808216 [0,1,0,1,0,0|1,0,0]=3 3986 B6R1.6 NC[C@H]1CCO1 MCULE-9974781002 [0,1,0,1,0,0|1,0,0]=3 3987 B6R1.6 NNC1CCC1 MCULE-2058855063 [0,1,0,1,0,0|2,0,0]=4 3988 B6R1.6 NNC1CCC1 MCULE-2355527907 [0,1,0,1,0,0|2,0,0]=4 3989 B6R1.6 NNC1CCC1 MCULE-7674249555 [0,1,0,1,0,0|2,0,0]=4 3990 B6R1.6 NNC1CNC1 MCULE-1383746939 [0,1,0,1,0,0|2,0,0]=4 3991 B6R1.6 NNC1CNC1 MCULE-8167393861 [0,1,0,1,0,0|2,0,0]=4 3992 B6R1.6 NNC1COC1 MCULE-2986078946 [0,1,0,1,0,0|2,0,0]=4 3993 B6R1.6 NNC1COC1 MCULE-4662390820 [0,1,0,1,0,0|2,0,0]=4 3994 B6R1.6 NNC1COC1 MCULE-7804737341 [0,1,0,1,0,0|2,0,0]=4 3995 B6R1.6 NNC1CSC1 MCULE-2341298971 [0,1,0,1,0,0|2,0,0]=4 3996 B6R1.6 NNC1CSC1 MCULE-6513117263 [0,1,0,1,0,0|2,0,0]=4 3997 B6R1.6 NNC1CSC1 MCULE-9957779440 [0,1,0,1,0,0|2,0,0]=4 3998 B6R1.6 NOC1CCC1 MCULE-2140396646 [0,1,0,1,0,0|1,0,0]=3 3999 B6R1.6 NOC1CCC1 MCULE-9347173321 [0,1,0,1,0,0|1,0,0]=3 4000 B6R1.6 NOC1COC1 MCULE-1949996102 [0,1,0,1,0,0|1,0,0]=3 4001 B6R1.6 O=CC1CCC1 MCULE-8678026416 [0,1,0,1,0,0|1,0,1]=4 4002 B6R1.6 O=CC1COC1 MCULE-3773699476 [0,1,0,1,0,0|1,0,1]=4 4003 B6R1.6 O=CC1CSC1 MCULE-2648443908 [0,1,0,1,0,0|1,0,1]=4 4004 B6R1.6 OCC1CCC1 MCULE-3046613150 [0,1,0,1,0,0|1,0,0]=3 4005 B6R1.6 OCC1CCN1 MCULE-1812443062 [0,1,0,1,0,0|2,0,0]=4 4006 B6R1.6 OCC1CCN1 MCULE-8390631765 [0,1,0,1,0,0|2,0,0]=4 4007 B6R1.6 OCC1CCO1 MCULE-7120761203 [0,1,0,1,0,0|1,0,0]=3 4008 B6R1.6 OCC1CCO1 MCULE-7517577386 [0,1,0,1,0,0|1,0,0]=3 4009 B6R1.6 OCC1CNC1 MCULE-1537874886 [0,1,0,1,0,0|1,0,0]=3 4010 B6R1.6 OCC1CNC1 MCULE-8316085177 [0,1,0,1,0,0|1,0,0]=3 4011 B6R1.6 OCC1COC1 MCULE-5031415478 [0,1,0,1,0,0|1,0,0]=3 4012 B6R1.6 OCC1CSC1 MCULE-9388221183 [0,1,0,1,0,0|1,0,0]=3 4013 B6R1.6 OC[C@@H]1CCN1 MCULE-5565957906 [0,1,0,1,0,0|2,0,0]=4 4014 B6R1.6 OC[C@@H]1CCN1 MCULE-7064010066 [0,1,0,1,0,0|2,0,0]=4 4015 B6R1.6 OC[C@@H]1CCN1 MCULE-7539121327 [0,1,0,1,0,0|2,0,0]=4 4016 B6R1.6 OC[C@@H]1CCN1 MCULE-9740096939 [0,1,0,1,0,0|2,0,0]=4 4017 B6R1.6 OC[C@@H]1CCO1 MCULE-7613449097 [0,1,0,1,0,0|1,0,0]=3 4018 B6R1.6 OC[C@@H]1CCO1 MCULE-9444003682 [0,1,0,1,0,0|1,0,0]=3 4019 B6R1.6 OC[C@H]1CCN1 MCULE-5733363493 [0,1,0,1,0,0|2,0,0]=4 4020 B6R1.6 OC[C@H]1CCN1 MCULE-8466413816 [0,1,0,1,0,0|2,0,0]=4 4021 B6R1.6 OC[C@H]1CCO1 MCULE-1446169257 [0,1,0,1,0,0|1,0,0]=3 4022 B6R1.6 OC[C@H]1CCO1 MCULE-2929052431 [0,1,0,1,0,0|1,0,0]=3 4023 B6R1.6 ON=C1CCC1 MCULE-4777625640 [0,1,0,1,0,0|1,0,1]=4 4024 B6R1.6 SCC1CCC1 MCULE-4083757063 [0,1,0,1,0,0|1,1,0]=4 4025 B6R1.6 SCC1COC1 MCULE-7193197469 [0,1,0,1,0,0|1,0,0]=3 4026 B6R1.7 BrCC1(CC1)Br MCULE-3664717874 [0,1,0,1,0,0|1,0,0]=3 4027 B6R1.7 C#CC1(CC1)C MCULE-7036163809 [0,1,0,1,0,0|2,0,0]=4 4028 B6R1.7 C#CC1(CC1)O MCULE-2391074408 [0,1,0,1,0,0|1,0,1]=4 4029 B6R1.7 C=CC1(CC1)O MCULE-4527683750 [0,1,0,1,0,0|1,0,1]=4 4030 B6R1.7 C=CC1(CO1)C MCULE-2507036726 [0,1,0,1,0,0|1,0,1]=4 4031 B6R1.7 CC1(CC1)C#N MCULE-1818955537 [0,1,0,1,0,0|2,0,0]=4 4032 B6R1.7 CC1(CC1)C=O MCULE-3651219428 [0,1,0,1,0,0|1,0,1]=4 4033 B6R1.7 CC1(CC1)CBr MCULE-7638105894 [0,1,0,1,0,0|1,0,0]=3 4034 B6R1.7 CC1(CC1)CCl MCULE-5653369516 [0,1,0,1,0,0|1,1,0]=4 4035 B6R1.7 CC1(CC1)CN MCULE-2933267296 [0,1,0,1,0,0|2,0,0]=4 4036 B6R1.7 CC1(CC1)CN MCULE-6561269012 [0,1,0,1,0,0|2,0,0]=4 4037 B6R1.7 CC1(CC1)CO MCULE-9292264802 [0,1,0,1,0,0|1,0,0]=3 4038 B6R1.7 CC1(CO1)CBr MCULE-5372688659 [0,1,0,1,0,0|0,0,0]=2 4039 B6R1.7 CC1(CO1)CCl MCULE-8847094307 [0,1,0,1,0,0|0,1,0]=3 4040 B6R1.7 CC1(CO1)CO MCULE-1000912721 [0,1,0,1,0,0|1,0,0]=3 4041 B6R1.7 CC1(N=N1)CN MCULE-9632613863 [0,1,0,1,0,0|2,0,0]=4 4042 B6R1.7 CC1(N=N1)CN MCULE-9741209062 [0,1,0,1,0,0|2,0,0]=4 4043 B6R1.7 CC1(N=N1)CO MCULE-3111044066 [0,1,0,1,0,0|2,0,0]=4 4044 B6R1.7 CCC1(CC1)N MCULE-3440893089 [0,1,0,1,0,0|2,0,0]=4 4045 B6R1.7 CCC1(CC1)N MCULE-8936334501 [0,1,0,1,0,0|2,0,0]=4 4046 B6R1.7 CCC1(CC1)O MCULE-7491011687 [0,1,0,1,0,0|1,0,0]=3 4047 B6R1.7 CCC1(CO1)C MCULE-5308881519 [0,1,0,1,0,0|1,0,0]=3 4048 B6R1.7 CNC1(CC1)C MCULE-5271625822 [0,1,0,1,0,0|2,0,0]=4 4049 B6R1.7 CNC1(CC1)C MCULE-9473196269 [0,1,0,1,0,0|2,0,0]=4 4050 B6R1.7 C[C@@]1(CO1)CO MCULE-2087028484 [0,1,0,1,0,0|1,0,0]=3 4051 B6R1.7 C[C@@]1(CO1)CO MCULE-6244999634 [0,1,0,1,0,0|1,0,0]=3 4052 B6R1.7 C[C@]1(CO1)CO MCULE-1098652766 [0,1,0,1,0,0|1,0,0]=3 4053 B6R1.7 C[C@]1(CO1)CO MCULE-9811443530 [0,1,0,1,0,0|1,0,0]=3 4054 B6R1.7 ClC1(CC1)CBr MCULE-5738182750 [0,1,0,1,0,0|1,0,0]=3 4055 B6R1.7 ClCC1(CC1)Br MCULE-5375999277 [0,1,0,1,0,0|1,1,0]=4 4056 B6R1.7 FC1(CC1)CBr MCULE-9308548759 [0,1,0,1,0,0|1,0,0]=3 4057 B6R1.7 N#CC1(CC1)O MCULE-1394111227 [0,1,0,1,0,0|1,0,1]=4 4058 B6R1.7 NC1(CC1)CF MCULE-3560419554 [0,1,0,1,0,0|1,1,0]=4 4059 B6R1.7 NC1(CC1)CF MCULE-5037711402 [0,1,0,1,0,0|1,1,0]=4 4060 B6R1.7 NC1(CC1)CO MCULE-5890036745 [0,1,0,1,0,0|2,0,0]=4 4061 B6R1.7 NC1(CC1)CO MCULE-6476116416 [0,1,0,1,0,0|2,0,0]=4 4062 B6R1.7 NCC1(CC1)Br MCULE-7318489845 [0,1,0,1,0,0|2,0,0]=4 4063 B6R1.7 NCC1(CC1)F MCULE-6736176817 [0,1,0,1,0,0|2,0,0]=4 4064 B6R1.7 NCC1(CC1)F MCULE-7735967320 [0,1,0,1,0,0|2,0,0]=4 4065 B6R1.7 NCC1(CC1)N MCULE-4980820376 [0,1,0,1,0,0|2,0,0]=4 4066 B6R1.7 NCC1(CC1)N MCULE-7033999881 [0,1,0,1,0,0|2,0,0]=4 4067 B6R1.7 NCC1(CC1)O MCULE-7633241990 [0,1,0,1,0,0|1,0,0]=3 4068 B6R1.7 NCC1(CC1)O MCULE-8264909288 [0,1,0,1,0,0|1,0,0]=3 4069 B6R1.7 OCC1(CC1)Br MCULE-2797548638 [0,1,0,1,0,0|2,0,0]=4 4070 B6R1.7 OCC1(CC1)Cl MCULE-4350532922 [0,1,0,1,0,0|2,0,0]=4 4071 B6R1.7 OCC1(CC1)F MCULE-9539268105 [0,1,0,1,0,0|2,0,0]=4 4072 B6R1.7 OCC1(CC1)O MCULE-7768871656 [0,1,0,1,0,0|1,0,0]=3 4073 B6R2.4 C1CC2C1O2 MCULE-9211083149 [0,0,0,2,0,0|1,0,0]=3 4074 B6R2.1 C1CC12CC2 MCULE-7180602672 [0,0,0,2,0,0|2,0,0]=4