0 B6R0.2 CC(=O)NC(C)=O CS-0188389 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(=O)NC(N)=O CS-W013697 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 CC(=O)SC(C)=O CS-0622069 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(=O)[CH-]C(C)=O CS-0871014 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.2 CC(=O)\C=C(\C)N CS-0369638 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.2 CC(Br)CC(C)Br CS-0621868 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(C)=CC(C)O CS-0006593 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.2 CC(C)=C[N+](=O)[O-] CS-0447415 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.2 CC(C)=NN(C)C CS-0205033 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.2 CC(C)CC(=N)N CS-0122240 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.2 CC(C)CC(C)Br CS-0273922 [0,0,0,0,0,0|1,0,1]=2 11 B6R0.2 CC(C)C[C@@H](C)O CS-0273778 [0,0,0,0,0,0|0,0,2]=2 12 B6R0.2 CC(C)NC(C)C CS-0214061 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.2 CC(C)SC(=N)N CS-0651375 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.2 CC(Cl)CC(=O)O CS-0206565 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.2 CC(O)CN(C)C CS-0504044 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.2 CN(C)CC(N)=O CS-0159757 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.2 CN(C)CC(N)=S CS-0356397 [0,0,0,0,0,0|2,1,0]=3 18 B6R0.2 CN(C)NC(N)=O CS-0450115 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.2 C[S+](C)CC(=O)O CS-0204683 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.2 C[S+](C)CC(=O)[O-] CS-0674576 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.2 C\C(Cl)=C\C(=O)O CS-0245046 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.2 NC(=O)CC(N)=S CS-0071222 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.2 NC(=O)C[N+](=O)[O-] CS-0213050 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.2 O=C([O-])CC(=O)[O-] CS-0328770 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.1 C=C(C)CNC CS-0162572 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 C=C(C)CON CS-0158063 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 C=CNC(C)=O CS-0167831 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.1 CC#CC(C)O CS-0264164 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.1 CC(=O)\C=N/O CS-W013750 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CC(=O)\C=N\O CS-0047592 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CC(Br)CC#N CS-0621908 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CC(Br)CCBr CS-0186296 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 CC(Br)CCO CS-0902584 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.1 CC(C)CCN CS-0214104 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.1 CC(Cl)CCCl CS-0442069 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 CC(O)CCN CS-0113030 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.1 CC(O)CCN CS-0113103 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.1 CC(O)CON CS-0154035 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 CCCC(=O)[O-] CS-0188375 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 CCCC(C)N CS-0216448 [1,0,0,0,0,0|1,0,1]=3 41 B5R0.1 CCCS(=O)[O-] CS-0298073 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 CCNC(=N)N CS-0298605 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 CCOC(C)=S CS-0265613 [1,0,0,0,0,0|1,1,0]=3 44 B5R0.1 CCOC(C)Cl CS-0233243 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 CCOC(N)=S CS-0265370 [1,0,0,0,0,0|2,1,0]=4 46 B5R0.1 CCSC(=N)N CS-0093925 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 CC\N=C(\C)O CS-W011352 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.1 CN(C)CCN CS-0214118 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 CNCC(C)=O CS-0656412 [1,0,0,0,0,0|1,0,0]=2 50 B5R0.1 CNCC(C)C CS-0252120 [1,0,0,0,0,0|1,0,0]=2 51 B5R0.1 CNOC(C)=O CS-0449138 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.1 COCC(C)Br CS-0139276 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.1 COCC(C)N CS-0148794 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 COCC(N)=O CS-0186655 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 CONC(C)=O CS-0235532 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 CS(=O)CCN CS-0217217 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 CSC=[N+](C)C CS-0460063 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 CSCC(C)=O CS-0206376 [1,0,0,0,0,0|1,0,0]=2 59 B5R0.1 C\C=C\C(C)O CS-0187943 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 C\C=C\C(N)=O CS-0336304 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.1 NCCC(=O)[O-] CS-0771386 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.1 NNCC(=O)O CS-0697279 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.2 C#CC(O)CC(C)C CS-0225823 [0,1,0,0,0,0|0,0,3]=4 64 B7R0.2 C=CC(=O)OC(C)C CS-0524531 [0,1,0,0,0,0|1,0,1]=3 65 B7R0.2 C=CC(C)CC(=O)O CS-0243291 [0,1,0,0,0,0|1,0,1]=3 66 B7R0.2 CC(=O)CC(C)C#N CS-0241518 [0,1,0,0,0,0|0,0,1]=2 67 B7R0.2 CC(=O)NC(=O)CBr CS-0242454 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.2 CC(=O)NC(=O)CCl CS-0220116 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.2 CC(C)CC(=N)NO CS-0251439 [0,1,0,0,0,0|1,0,1]=3 70 B7R0.2 CC(C)CC(O)CN CS-0262435 [0,1,0,0,0,0|0,0,2]=3 71 B7R0.2 CC(C)CC(O)CN CS-0274062 [0,1,0,0,0,0|0,0,2]=3 72 B7R0.2 CC(C)NC(=O)CN CS-0454851 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.2 CC(CN)CC(=O)O CS-0020588 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.2 CCC(C)CB(O)O CS-0697192 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.2 CCC(C)CC(=N)N CS-0257477 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.2 CCC(C)NC(N)=O CS-0221509 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.2 CCC(C)NC(N)=S CS-0220060 [0,1,0,0,0,0|2,1,0]=4 78 B7R0.2 CCC(N)CC(=O)O CS-0172209 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.2 CCN(C)CC(C)=O CS-0687773 [0,1,0,0,0,0|1,0,0]=2 80 B7R0.2 CCS(=O)CC(=O)O CS-0237100 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.2 CC[C@@H](N)CC(=O)O CS-0172026 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.2 CC[C@H](N)CC(=O)O CS-0153929 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.2 CC[C@H](N)CC(=O)O CS-0172024 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.2 CN(C)CC(O)CN CS-0216011 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.2 CN(C)C[C@@H](O)CO CS-0504629 [0,1,0,0,0,0|1,0,2]=4 86 B7R0.2 CN(C)C[C@H](O)CO CS-0468289 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.2 CN(C)C\C(N)=N\O CS-0245239 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.2 CNC(=O)CC(=N)N CS-0234548 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.2 CNC(=O)CC(C)=O CS-0214968 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.2 CNC(=O)NC(C)=O CS-0317468 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.2 COC(=O)CC(C)N CS-0147335 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.2 COC(=O)CC(C)O CS-0161084 [0,1,0,0,0,0|1,0,0]=2 93 B7R0.2 COC(=O)CC(N)=S CS-0246007 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.2 COC(=O)CN(C)C CS-0201680 [0,1,0,0,0,0|1,0,0]=2 95 B7R0.2 COC(=O)CN(C)C CS-0361918 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.2 COC(=O)CS(C)=O CS-0231490 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.2 COC(C)CC(=O)O CS-0216817 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.2 CSC(C)CC(=O)O CS-0224328 [0,1,0,0,0,0|1,0,0]=2 99 B7R0.2 C\C(CC(C)C)=N/O CS-0504213 [0,1,0,0,0,0|0,0,1]=2 100 B7R0.2 NCC(N)CC(=O)O CS-0260960 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.2 NCC(O)CC(=O)O CS-0013138 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.2 O=C(O)CC(=O)CCl CS-0360358 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.9 CC(=O)CC(C)(C)N CS-0204783 [0,1,0,0,0,0|0,0,0]=1 104 B7R0.9 CC(=O)N[Si](C)(C)C CS-0187550 [0,1,0,0,0,0|1,1,0]=3 105 B7R0.9 CC(C)(C)CC(N)=O CS-0248453 [0,1,0,0,0,0|1,0,0]=2 106 B7R0.9 CC(C)(C)NC(=N)S CS-W013403 [0,1,0,0,0,0|2,1,0]=4 107 B7R0.9 CC(C)(O)C[N+](=O)[O-] CS-0875022 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.9 CC(C)CC(C)(C)O CS-0454305 [0,1,0,0,0,0|0,0,2]=3 109 B7R0.9 CC(C)C[B-](F)(F)F CS-0871148 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.9 CC(C)C[Si](Cl)(Cl)Cl CS-0199005 [0,1,0,0,0,0|2,1,0]=4 111 B7R0.9 CC(C)NS(=O)(=O)Cl CS-0130367 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.9 CC(C)NS(C)(=O)=O CS-0242244 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.9 CC(O)C[N+](C)(C)C CS-0185841 [0,1,0,0,0,0|1,0,2]=4 114 B7R0.9 CC(O)C[N+](C)(C)C CS-0185866 [0,1,0,0,0,0|1,0,2]=4 115 B7R0.9 C[C@H](N)CC(C)(C)C CS-0961995 [0,1,0,0,0,0|1,0,1]=3 116 B7R0.9 C[Si](C)(C)CC(=O)O CS-W016542 [0,1,0,0,0,0|1,1,0]=3 117 B7R0.9 NC(=O)CC(F)(F)F CS-0452664 [0,1,0,0,0,0|3,0,0]=4 118 B7R0.16 CC(=O)C(=O)N(C)C CS-0714075 [0,1,0,0,0,0|1,0,1]=3 119 B7R0.16 CC(C)C(=O)C(=O)[O-] CS-0205398 [0,1,0,0,0,0|1,0,1]=3 120 B7R0.16 CC(C)C(=O)C(C)Br CS-0450605 [0,1,0,0,0,0|1,0,2]=4 121 B7R0.16 CC(C)C(N)C(C)C CS-0154331 [0,1,0,0,0,0|1,0,1]=3 122 B7R0.16 CC(C)C(N)C(N)=O CS-0312424 [0,1,0,0,0,0|1,0,0]=2 123 B7R0.16 CC(C)C(S)C(=O)O CS-0222512 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.16 CC(C)N(C)C(=N)N CS-0257364 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.16 CC(C)[C@H](N)C(=O)O CS-0201920 [0,1,0,0,0,0|1,0,0]=2 126 B7R0.16 CC(O)C(N)C(=O)O CS-0154977 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.16 CN(C)C(=O)C(=O)O CS-W019571 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0221986 [0,1,0,0,0,0|2,0,0]=3 129 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0201886 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.16 C[C@H](C(N)=O)N(C)C CS-0757954 [0,1,0,0,0,0|2,0,0]=3 131 B7R1.2 CC1=CC(=O)CO1 CS-0092875 [0,0,0,1,0,0|1,0,2]=4 132 B7R1.2 CC1=CC(=O)OC1 CS-0205200 [0,0,0,1,0,0|1,0,2]=4 133 B7R1.2 CC1CC(=O)NN1 CS-0242958 [0,0,0,1,0,0|2,0,0]=3 134 B7R1.2 CC1CCC(=O)N1 CS-0046659 [0,0,0,1,0,0|1,0,0]=2 135 B7R1.2 CC1CCC(C)N1 CS-0451338 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.2 CC1CCC(C)O1 CS-0204690 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.2 CC1CCC(O)C1 CS-0107204 [0,0,0,1,0,0|0,0,2]=3 138 B7R1.2 CC1CNC(=O)N1 CS-0040666 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.2 CC1CNC(=O)O1 CS-0308136 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.2 CC1CNC(=S)N1 CS-0090570 [0,0,0,1,0,0|2,1,0]=4 141 B7R1.2 CC1COS(=O)O1 CS-W013556 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.2 CN1CCC(=O)C1 CS-0043579 [0,0,0,1,0,0|1,0,0]=2 143 B7R1.2 CN1CCC(Br)C1 CS-W005830 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.2 CN1CC[C@@H](N)C1 CS-0210749 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.2 CN1CC[C@H](N)C1 CS-0172434 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.2 C[C@@H]1CCC(=O)O1 CS-0063958 [0,0,0,1,0,0|1,0,0]=2 147 B7R1.2 C[C@H]1CC[C@@H](C)N1 CS-0053458 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.2 NC1CNC(=O)C1 CS-0051034 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.2 N[C@H]1CC[C@@H](N)C1 CS-0187342 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-0020859 [0,0,0,1,0,0|1,0,2]=4 151 B7R1.2 O=C1CC(O)CO1 CS-W013700 [0,0,0,1,0,0|2,0,0]=3 152 B7R1.2 O[C@H]1CC[C@@H](O)C1 CS-0049663 [0,0,0,1,0,0|1,0,2]=4 153 B7R1.16 CC1(C)CC(=O)N1 CS-0046669 [0,0,0,1,0,0|1,0,0]=2 154 B7R1.16 CC1(C)CC(N)C1 CS-0102276 [0,0,0,1,0,0|1,0,1]=3 155 B7R1.16 O=S1(=O)CC(O)C1 CS-0051343 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.20 CC(=O)CC1CC1 CS-0342620 [0,0,0,1,0,0|0,0,0]=1 157 B7R1.20 CC(C)NC1CC1 CS-0516713 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.20 CC(N)CC1CC1 CS-0567825 [0,0,0,1,0,0|1,0,1]=3 159 B7R1.20 N=C(N)NC1CC1 CS-0261872 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.20 NC(=O)CC1CC1 CS-0055986 [0,0,0,1,0,0|1,0,0]=2 161 B5R0.5 CC(=O)C(N)=O CS-0233017 [0,0,0,0,1,0|2,0,1]=4 162 B5R0.5 CC(=S)N(C)C CS-0187562 [0,0,0,0,1,0|1,1,0]=3 163 B5R0.5 CC(C)C(=N)N CS-0183518 [0,0,0,0,1,0|2,0,0]=3 164 B5R0.5 CC(C)C(=O)[O-] CS-0111016 [0,0,0,0,1,0|1,0,0]=2 165 B5R0.5 CC(Cl)C(=N)N CS-0230973 [0,0,0,0,1,0|3,0,0]=4 166 B5R0.5 CC(N)C(N)=O CS-0036447 [0,0,0,0,1,0|2,0,0]=3 167 B5R0.5 CC(N)[PH](=O)O CS-0877877 [0,0,0,0,1,0|3,0,0]=4 168 B5R0.5 CC(O)C(=O)O CS-0945561 [0,0,0,0,1,0|2,0,0]=3 169 B5R0.5 CN(C)C(=N)N CS-0518371 [0,0,0,0,1,0|3,0,0]=4 170 B5R0.5 CN(C)C(=S)S CS-0454143 [0,0,0,0,1,0|2,1,0]=4 171 B5R0.5 CN(N)C(N)=O CS-0449808 [0,0,0,0,1,0|3,0,0]=4 172 B5R0.5 C[C@@H](O)C(=N)N CS-0215453 [0,0,0,0,1,0|3,0,0]=4 173 B5R0.5 C[C@@H](O)C(=O)[O-] CS-0236856 [0,0,0,0,1,0|2,0,0]=3 174 B5R0.5 C[N+](C)=C(Cl)Cl CS-0314882 [0,0,0,0,1,0|3,0,0]=4 175 B5R0.5 NC(=O)C(Cl)Cl CS-0149993 [0,0,0,0,1,0|3,0,0]=4 176 B5R0.5 O=C(O)C(F)Cl CS-0266361 [0,0,0,0,1,0|3,0,0]=4 177 B7R0.6 C=C(C)COC(C)=O CS-0187450 [0,0,0,0,0,1|0,0,2]=3 178 B7R0.6 CC(=O)CCC(=O)[O-] CS-0187336 [0,0,0,0,0,1|2,0,1]=4 179 B7R0.6 CC(=O)CCC(=O)[O-] CS-0526568 [0,0,0,0,0,1|2,0,1]=4 180 B7R0.6 CC(=O)NCC(N)=O CS-0333417 [0,0,0,0,0,1|2,0,1]=4 181 B7R0.6 CC(=O)NN=C(C)C CS-M2558 [0,0,0,0,0,1|1,0,1]=3 182 B7R0.6 CC(=O)NNC(C)C CS-M2559 [0,0,0,0,0,1|1,0,0]=2 183 B7R0.6 CC(=O)ON=C(C)C CS-0548323 [0,0,0,0,0,1|1,0,1]=3 184 B7R0.6 CC(Br)CCC(C)Br CS-0206851 [0,0,0,0,0,1|2,0,1]=4 185 B7R0.6 CC(C)=NNC(N)=O CS-W011237 [0,0,0,0,0,1|2,0,1]=4 186 B7R0.6 CC(C)C#CC(=O)O CS-0240271 [0,0,0,0,0,1|1,0,1]=3 187 B7R0.6 CC(C)CCC(=N)N CS-0695415 [0,0,0,0,0,1|2,0,0]=3 188 B7R0.6 CC(C)CCC(C)Br CS-0669437 [0,0,0,0,0,1|1,0,1]=3 189 B7R0.6 CC(C)CNC(=N)O CS-W009543 [0,0,0,0,0,1|1,0,1]=3 190 B7R0.6 CC(C)CNC(C)C CS-0246638 [0,0,0,0,0,1|1,0,1]=3 191 B7R0.6 CC(C)NCC(=O)O CS-0246606 [0,0,0,0,0,1|1,0,0]=2 192 B7R0.6 CC(N)CCC(=O)O CS-0262263 [0,0,0,0,0,1|2,0,0]=3 193 B7R0.6 CC(O)CNC(C)C CS-0664874 [0,0,0,0,0,1|0,0,2]=3 194 B7R0.6 CC(O)COC(C)C CS-0504752 [0,0,0,0,0,1|0,0,2]=3 195 B7R0.6 CN(C)CCC(=O)O CS-0098123 [0,0,0,0,0,1|2,0,0]=3 196 B7R0.6 CN(C)CCC(N)=O CS-0231943 [0,0,0,0,0,1|2,0,0]=3 197 B7R0.6 CN(C)CCC(N)=S CS-0247301 [0,0,0,0,0,1|2,1,0]=4 198 B7R0.6 C[C@H](N)CCC(=O)O CS-0526945 [0,0,0,0,0,1|2,0,0]=3 199 B7R0.6 C[S+](C)CCC(=O)[O-] CS-0449826 [0,0,0,0,0,1|2,0,0]=3 200 B4R0.1 CC(=O)CN CS-0697654 [2,0,0,0,0,0|1,0,0]=3 201 B4R0.1 CC(=O)O[Cs] CS-0085593 [2,0,0,0,0,0|2,0,0]=4 202 B4R0.1 CC(Br)CN CS-0154044 [2,0,0,0,0,0|2,0,0]=4 203 B4R0.1 CC(C)CN CS-0214119 [2,0,0,0,0,0|1,0,0]=3 204 B4R0.1 CC(C)NN CS-0580294 [2,0,0,0,0,0|2,0,0]=4 205 B4R0.1 CC(Cl)CN CS-0668764 [2,0,0,0,0,0|2,0,0]=4 206 B4R0.1 CC(O)CS CS-0265005 [2,0,0,0,0,0|1,1,0]=4 207 B4R0.1 CCC(=N)N CS-0152666 [2,0,0,0,0,0|2,0,0]=4 208 B4R0.1 CC[PH](C)=O CS-0637552 [2,0,0,0,0,0|1,0,0]=3 209 B4R0.1 COC(C)=N CS-0134497 [2,0,0,0,0,0|2,0,0]=4 210 B4R0.1 CSC(C)=O CS-0154991 [2,0,0,0,0,0|1,0,0]=3 211 B4R0.1 CS[S+](C)C CS-0622317 [2,0,0,0,0,0|2,0,0]=4 212 B4R0.1 C[C@H](O)CCl CS-0158252 [2,0,0,0,0,0|2,0,0]=4 213 B4R0.1 C\C=C(/C)Br CS-0613808 [2,0,0,0,0,0|1,0,1]=4 214 B4R0.1 C\C=C(\C)Br CS-0444617 [2,0,0,0,0,0|1,0,1]=4 215 B4R0.1 NC(=O)CS CS-0094728 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.1 NCC(N)=O CS-0685233 [2,0,0,0,0,0|2,0,0]=4 217 B4R0.1 O=C(O)CO CS-0205290 [2,0,0,0,0,0|2,0,0]=4 218 B4R0.1 O=C([O-])CO CS-0110893 [2,0,0,0,0,0|2,0,0]=4 219 B4R0.2 C=CCCN CS-0227046 [2,0,0,0,0,0|1,0,1]=4 220 B4R0.2 CCCCN CS-0214095 [2,0,0,0,0,0|1,0,1]=4 221 B4R0.2 CCCC[O-] CS-0870886 [2,0,0,0,0,0|0,0,2]=4 222 B4R0.2 CCCON CS-0106185 [2,0,0,0,0,0|2,0,0]=4 223 B4R0.2 CCNCC CS-0621902 [2,0,0,0,0,0|1,0,1]=4 224 B4R0.2 CCNOC CS-0160235 [2,0,0,0,0,0|2,0,0]=4 225 B4R0.2 CCSSC CS-0343199 [2,0,0,0,0,0|2,0,0]=4 226 B4R0.2 CNCCF CS-0103514 [2,0,0,0,0,0|2,0,0]=4 227 B4R0.2 CNCCN CS-W003799 [2,0,0,0,0,0|2,0,0]=4 228 B4R0.2 COCCN CS-0115625 [2,0,0,0,0,0|2,0,0]=4 229 B4R0.2 COCCN CS-0214155 [2,0,0,0,0,0|2,0,0]=4 230 B4R0.2 CSCCBr CS-0208163 [2,0,0,0,0,0|2,0,0]=4 231 B4R0.2 CSCCN CS-W016668 [2,0,0,0,0,0|2,0,0]=4 232 B6R0.1 C(C)=CC(=O)CC CS-W013723 [1,1,0,0,0,0|0,0,2]=4 233 B6R0.1 CC(CN)CCO CS-0264833 [1,1,0,0,0,0|0,0,2]=4 234 B6R0.1 CC(CO)CCCl CS-0858617 [1,1,0,0,0,0|1,0,1]=4 235 B6R0.1 CCC(C)CC#N CS-0243767 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.1 CCC(C)CCO CS-0204814 [1,1,0,0,0,0|0,0,2]=4 237 B6R0.1 CCC(C)CNC CS-0356555 [1,1,0,0,0,0|1,0,0]=3 238 B6R0.1 CCC(O)COC CS-0199441 [1,1,0,0,0,0|2,0,0]=4 239 B6R0.1 CCCC(=O)CCl CS-0252325 [1,1,0,0,0,0|0,0,0]=2 240 B6R0.1 CCCC(=O)NO CS-0179704 [1,1,0,0,0,0|1,0,0]=3 241 B6R0.1 CCCC(C)C#N CS-0251151 [1,1,0,0,0,0|0,0,2]=4 242 B6R0.1 CCCC(N)CO CS-0089892 [1,1,0,0,0,0|1,0,1]=4 243 B6R0.1 CCC[C@@H](N)CO CS-0088083 [1,1,0,0,0,0|1,0,1]=4 244 B6R0.1 CCC[C@@H](N)CO CS-1181369 [1,1,0,0,0,0|1,0,1]=4 245 B6R0.1 CCNC(=O)CC CS-0205055 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.1 CCNC(=O)CCl CS-0037573 [1,1,0,0,0,0|1,0,0]=3 247 B6R0.1 CCNC(=O)CI CS-0258404 [1,1,0,0,0,0|1,0,0]=3 248 B6R0.1 CCNC(=O)CN CS-0464992 [1,1,0,0,0,0|1,0,0]=3 249 B6R0.1 CCNC(=O)CO CS-0239967 [1,1,0,0,0,0|1,0,0]=3 250 B6R0.1 CCNC(C)CO CS-0298610 [1,1,0,0,0,0|1,0,1]=4 251 B6R0.1 CCOC(=N)CC CS-0047019 [1,1,0,0,0,0|2,0,0]=4 252 B6R0.1 CCOC(=N)CCl CS-0208478 [1,1,0,0,0,0|2,0,0]=4 253 B6R0.1 CCOC(=O)NO CS-0235105 [1,1,0,0,0,0|2,0,0]=4 254 B6R0.1 CCS(=O)CCCl CS-0697603 [1,1,0,0,0,0|2,0,0]=4 255 B6R0.1 CCSC(=O)CC CS-0313626 [1,1,0,0,0,0|1,0,0]=3 256 B6R0.1 CC[C@H](C)CCO CS-0198789 [1,1,0,0,0,0|0,0,2]=4 257 B6R0.1 CN(C=O)CCO CS-0315134 [1,1,0,0,0,0|2,0,0]=4 258 B6R0.1 CNC(=O)CCN CS-0665982 [1,1,0,0,0,0|1,0,0]=3 259 B6R0.1 CNC(=O)COC CS-0243458 [1,1,0,0,0,0|1,0,0]=3 260 B6R0.1 CNC(C)CC#N CS-0258153 [1,1,0,0,0,0|1,0,1]=4 261 B6R0.1 CNC(C)CCO CS-0661493 [1,1,0,0,0,0|0,0,2]=4 262 B6R0.1 CNCC(=O)NC CS-0039124 [1,1,0,0,0,0|1,0,0]=3 263 B6R0.1 CNCC(=O)NC CS-0213249 [1,1,0,0,0,0|1,0,0]=3 264 B6R0.1 CNCC(C)OC CS-0239344 [1,1,0,0,0,0|1,0,0]=3 265 B6R0.1 COC(C)CC#N CS-0223102 [1,1,0,0,0,0|1,0,1]=4 266 B6R0.1 COC(C)CCN CS-0074740 [1,1,0,0,0,0|1,0,1]=4 267 B6R0.1 COCC(C)C#N CS-0139338 [1,1,0,0,0,0|1,0,1]=4 268 B6R0.1 COCC(C)CN CS-1031373 [1,1,0,0,0,0|1,0,0]=3 269 B6R0.1 COCC(C)CO CS-0144671 [1,1,0,0,0,0|1,0,0]=3 270 B6R0.1 COCC(O)CO CS-W011295 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.1 CONC(=O)OC CS-0160296 [1,1,0,0,0,0|2,0,0]=4 272 B6R0.1 CSCC(=O)NN CS-0224650 [1,1,0,0,0,0|2,0,0]=4 273 B6R0.1 CSCC(C)C#N CS-0305011 [1,1,0,0,0,0|1,0,1]=4 274 B6R0.1 C[C@@H](CO)CCN CS-0205665 [1,1,0,0,0,0|1,0,1]=4 275 B6R0.1 C\N=C(/O)CCN CS-W007299 [1,1,0,0,0,0|1,0,1]=4 276 B6R0.3 C=C[C@H](C)[C@@H](C)O CS-0567207 [1,1,0,0,0,0|1,0,1]=4 277 B6R0.3 CC(=O)C(C)C#N CS-0171662 [1,1,0,0,0,0|1,0,1]=4 278 B6R0.3 CC(C)C(N)C#N CS-0273634 [1,1,0,0,0,0|1,0,1]=4 279 B6R0.3 CC(C)C(O)C#N CS-0208256 [1,1,0,0,0,0|1,0,1]=4 280 B6R0.3 CC(C)[C@H](N)CO CS-0333893 [1,1,0,0,0,0|0,0,2]=4 281 B6R0.3 CC(CN)C(=O)O CS-0154043 [1,1,0,0,0,0|2,0,0]=4 282 B6R0.3 CC(CS)C(=O)O CS-0141858 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.3 CCC(C)C(C)Br CS-0242604 [1,1,0,0,0,0|1,0,1]=4 284 B6R0.3 CCC(Cl)C(=O)O CS-0283480 [1,1,0,0,0,0|1,0,0]=3 285 B6R0.3 CCC(N)C(C)C CS-0251418 [1,1,0,0,0,0|0,0,1]=3 286 B6R0.3 CCC(O)C(C)O CS-0243433 [1,1,0,0,0,0|0,0,2]=4 287 B6R0.3 CC[C@@H](C)C(N)=O CS-0604251 [1,1,0,0,0,0|1,0,0]=3 288 B6R0.3 CC[C@@H](Cl)C(=O)O CS-0198794 [1,1,0,0,0,0|1,0,0]=3 289 B6R0.3 CC[C@H](O)C(=O)O CS-1022965 [1,1,0,0,0,0|1,0,0]=3 290 B6R0.3 CC[C@H](S)C(=O)O CS-0442983 [1,1,0,0,0,0|1,0,0]=3 291 B6R0.3 CNC(C)C(=O)O CS-0662516 [1,1,0,0,0,0|2,0,0]=4 292 B6R0.3 CN[C@@H](C)C(N)=O CS-0224966 [1,1,0,0,0,0|2,0,0]=4 293 B6R0.3 CN[C@@H](C)C(N)=O CS-0966766 [1,1,0,0,0,0|2,0,0]=4 294 B6R0.3 CN[C@H](C)C(=O)O CS-0687682 [1,1,0,0,0,0|2,0,0]=4 295 B6R0.3 CN[C@H](C)C(N)=O CS-0225838 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.3 COC(=N)C(C)C CS-0143882 [1,1,0,0,0,0|1,0,1]=4 297 B6R0.3 COC(C)C(C)O CS-0667009 [1,1,0,0,0,0|2,0,0]=4 298 B6R0.3 CSC(C)C(=O)O CS-0668009 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.3 C\C=C(/C)C(C)=O CS-0504210 [1,1,0,0,0,0|0,0,2]=4 300 B6R0.3 NC(=O)C(Cl)CCl CS-0315076 [1,1,0,0,0,0|2,0,0]=4 301 B6R0.3 NC(=O)[C@@H](N)CO CS-0091329 [1,1,0,0,0,0|2,0,0]=4 302 B6R0.3 NC(CCl)C(=O)O CS-W016172 [1,1,0,0,0,0|2,0,0]=4 303 B6R0.3 N[C@@H](CCl)C(=O)O CS-0133369 [1,1,0,0,0,0|2,0,0]=4 304 B6R0.3 O=C(O)[C@H](O)CO CS-0179318 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.4 C=C(C)CNCC CS-0119901 [1,1,0,0,0,0|1,0,0]=3 306 B6R0.4 C=CCCC(C)Br CS-0253431 [1,1,0,0,0,0|1,0,1]=4 307 B6R0.4 C=CCC[C@@H](C)O CS-0179239 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.4 C=CCC[C@H](C)O CS-0246373 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.4 CC(=O)CCCBr CS-0103669 [1,1,0,0,0,0|0,0,0]=2 310 B6R0.4 CC(=O)CSC#N CS-0239749 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.4 CC(=O)NCC#N CS-0514945 [1,1,0,0,0,0|1,0,1]=4 312 B6R0.4 CC(=O)NCCN CS-W013694 [1,1,0,0,0,0|1,0,0]=3 313 B6R0.4 CC(=O)OCC#N CS-0248523 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.4 CC(=O)SCCN CS-0256575 [1,1,0,0,0,0|1,0,0]=3 315 B6R0.4 CC(=O)SCCN CS-0680538 [1,1,0,0,0,0|1,0,0]=3 316 B6R0.4 CC(C)CCCI CS-0570782 [1,1,0,0,0,0|0,0,1]=3 317 B6R0.4 CC(C)CCNN CS-0232527 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.4 CC(C)SCCN CS-0214989 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.4 CC(O)CCCCl CS-0210356 [1,1,0,0,0,0|0,0,2]=4 320 B6R0.4 CCCCC(=O)Br CS-0185634 [1,1,0,0,0,0|1,0,0]=3 321 B6R0.4 CCCCC(C)Br CS-0206476 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.4 CCCCC(C)Cl CS-0102663 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.4 CCCCC(N)=O CS-0206049 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.4 CCCNC(=N)N CS-0230450 [1,1,0,0,0,0|2,0,0]=4 325 B6R0.4 CCCNC(N)=O CS-0207277 [1,1,0,0,0,0|1,0,0]=3 326 B6R0.4 CCCNC(N)=S CS-0128708 [1,1,0,0,0,0|1,1,0]=4 327 B6R0.4 CCNCC(=O)O CS-0250575 [1,1,0,0,0,0|1,0,0]=3 328 B6R0.4 CCNCC(C)O CS-0622152 [1,1,0,0,0,0|0,0,2]=4 329 B6R0.4 CCNC[C@H](C)O CS-0670719 [1,1,0,0,0,0|0,0,2]=4 330 B6R0.4 CCOCC(=N)N CS-0299543 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.4 CCOCC(C)N CS-0688785 [1,1,0,0,0,0|1,0,1]=4 332 B6R0.4 CCONC(C)=O CS-0017501 [1,1,0,0,0,0|1,0,0]=3 333 B6R0.4 CC\C=C\C(C)=O CS-0782888 [1,1,0,0,0,0|0,0,1]=3 334 B6R0.4 CNCCC(C)C CS-W018343 [1,1,0,0,0,0|0,0,1]=3 335 B6R0.4 COCCC(=N)N CS-0046979 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.4 COCCC(=N)N CS-0261114 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.4 COCCC(N)=O CS-0251977 [1,1,0,0,0,0|1,0,0]=3 338 B6R0.4 COCCC(N)=S CS-0355835 [1,1,0,0,0,0|1,1,0]=4 339 B6R0.4 COCCS(=O)O CS-0902763 [1,1,0,0,0,0|2,0,0]=4 340 B6R0.4 CSCCC(=N)N CS-0259328 [1,1,0,0,0,0|2,0,0]=4 341 B6R0.4 CSCCC(C)N CS-0262000 [1,1,0,0,0,0|1,0,1]=4 342 B6R0.4 CSCOC(C)=O CS-0316444 [1,1,0,0,0,0|1,0,0]=3 343 B6R0.4 C\C(O)=N\CCCl CS-W011197 [1,1,0,0,0,0|1,0,1]=4 344 B6R0.4 NC(=O)CCCCl CS-0660671 [1,1,0,0,0,0|1,0,0]=3 345 B6R0.4 NC(=O)CCCO CS-0678691 [1,1,0,0,0,0|1,0,0]=3 346 B6R0.4 NC(=O)OCCO CS-0218046 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.4 NCCCC(=O)O CS-0259736 [1,1,0,0,0,0|1,0,0]=3 348 B6R0.4 NCCNC(N)=O CS-0806746 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.4 NCCOC(N)=O CS-0231941 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.4 O=C(O)CCCI CS-0045052 [1,1,0,0,0,0|1,0,0]=3 351 B6R0.5 CC(C)(Br)CCBr CS-0450077 [1,1,0,0,0,0|1,0,1]=4 352 B6R0.5 CC(C)(C)CCCl CS-0239649 [1,1,0,0,0,0|1,0,1]=4 353 B6R0.5 CC(C)(C)CCI CS-0259210 [1,1,0,0,0,0|1,0,1]=4 354 B6R0.5 CC(C)(C)CNN CS-0244824 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.5 CC(C)(C)CON CS-0308725 [1,1,0,0,0,0|2,0,0]=4 356 B6R0.5 CC(C)(O)CCO CS-W016637 [1,1,0,0,0,0|0,0,2]=4 357 B6R0.5 CC(C)(O)CON CS-0091974 [1,1,0,0,0,0|2,0,0]=4 358 B6R0.5 CCCC(C)(C)N CS-0252557 [1,1,0,0,0,0|0,0,1]=3 359 B6R0.5 CCCS(=O)(=O)F CS-0251198 [1,1,0,0,0,0|2,0,0]=4 360 B6R0.5 CCCS(=O)(=O)O CS-0204485 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.5 CNC[Si](C)(C)C CS-0570797 [1,1,0,0,0,0|1,1,0]=4 362 B6R0.5 COCC(C)(C)N CS-0356311 [1,1,0,0,0,0|1,0,0]=3 363 B6R0.5 COC[Si](C)(C)C CS-0204187 [1,1,0,0,0,0|1,1,0]=4 364 B6R0.7 CC(C)(C)C(=O)O CS-0199222 [0,1,0,0,1,0|1,0,0]=3 365 B6R0.7 CC(C)(F)C(N)=O CS-0525518 [0,1,0,0,1,0|1,0,0]=3 366 B6R0.7 CC(C)(N)C(N)=O CS-0434048 [0,1,0,0,1,0|1,0,0]=3 367 B6R0.7 CC(C)(S)C(=O)O CS-0113145 [0,1,0,0,1,0|1,0,0]=3 368 B6R0.7 CC(C)C(C)(C)N CS-0665276 [0,1,0,0,1,0|1,0,1]=4 369 B6R0.7 CC(C)C(C)(C)O CS-0234265 [0,1,0,0,1,0|0,0,2]=4 370 B6R0.7 CC(C)S(=O)(=O)F CS-0250999 [0,1,0,0,1,0|2,0,0]=4 371 B6R0.7 CC(O)C(C)(C)N CS-0272282 [0,1,0,0,1,0|0,0,2]=4 372 B6R0.7 CC(O)C(C)(C)O CS-0161391 [0,1,0,0,1,0|0,0,2]=4 373 B6R0.7 CS(=O)C(C)(C)C CS-0445959 [0,1,0,0,1,0|1,0,0]=3 374 B8R0.9 CC(C)CNC(=O)CBr CS-0695805 [0,1,0,0,0,1|0,0,0]=2 375 B8R0.9 CC(C)CNC(=O)CCl CS-0116593 [0,1,0,0,0,1|0,0,0]=2 376 B8R0.9 CC(C)CNC(=O)CN CS-0252470 [0,1,0,0,0,1|0,0,0]=2 377 B8R0.9 CC(C)NC[C@@H](O)CO CS-0680205 [0,1,0,0,0,1|0,0,2]=4 378 B8R0.9 CC(C)NC[C@H](O)CO CS-0677844 [0,1,0,0,0,1|0,0,2]=4 379 B8R0.9 CC(C)OC\C(N)=N\O CS-0249129 [0,1,0,0,0,1|1,0,1]=4 380 B8R0.9 CCC(=O)NCC(C)C CS-0152594 [0,1,0,0,0,1|0,0,0]=2 381 B8R0.9 CCC(C)CCC(=O)O CS-0199329 [0,1,0,0,0,1|1,0,0]=3 382 B8R0.9 CCC(C)OCC(=O)O CS-0223500 [0,1,0,0,0,1|1,0,0]=3 383 B8R0.9 CCC(O)CCC(C)C CS-0215618 [0,1,0,0,0,1|0,0,2]=4 384 B8R0.9 CCN(C)CCC(=O)O CS-0217514 [0,1,0,0,0,1|2,0,0]=4 385 B8R0.9 CC\C(C)=C\CC(=O)O CS-W022219 [0,1,0,0,0,1|1,0,1]=4 386 B8R0.9 COC(=O)CCC(F)F CS-0759817 [0,1,0,0,0,1|2,0,0]=4 387 B8R0.9 COC(=O)CCN(C)C CS-0204362 [0,1,0,0,0,1|1,0,0]=3 388 B8R0.9 COC(=O)COC(C)C CS-0239634 [0,1,0,0,0,1|0,0,0]=2 389 B8R0.9 COC(=O)\C=C\C(C)C CS-0113137 [0,1,0,0,0,1|0,0,1]=3 390 B8R0.9 COC(=O)\N=C\N(C)C CS-0665962 [0,1,0,0,0,1|1,0,1]=4 391 B8R0.9 COC(C)COC(C)=O CS-0245967 [0,1,0,0,0,1|0,0,0]=2 392 B8R0.9 C\C(CCC(C)C)=N/O CS-0525071 [0,1,0,0,0,1|0,0,1]=3 393 B8R0.23 CC(=O)C(C)CC(C)C CS-0232005 [0,1,0,0,0,1|0,0,0]=2 394 B8R0.23 CC(=O)CC(=O)C(C)C CS-0455351 [0,1,0,0,0,1|0,0,0]=2 395 B8R0.23 CC(=O)CC(=O)C(F)F CS-0121254 [0,1,0,0,0,1|2,0,0]=4 396 B8R0.23 CC(=O)CN(C)C(C)C CS-0714496 [0,1,0,0,0,1|0,0,0]=2 397 B8R0.23 CC(=O)NC(C)C(C)=O CS-0199981 [0,1,0,0,0,1|1,0,1]=4 398 B8R0.23 CC(=O)OC(C)C(C)=O CS-W013436 [0,1,0,0,0,1|1,0,1]=4 399 B8R0.23 CC(C)C(C)CC(=O)O CS-0217045 [0,1,0,0,0,1|1,0,0]=3 400 B8R0.23 CC(C)CC(F)C(=O)O CS-0698889 [0,1,0,0,0,1|1,0,0]=3 401 B8R0.23 CC(C)CC(N)C(N)=O CS-0091401 [0,1,0,0,0,1|1,0,0]=3 402 B8R0.23 CC(C)CC(O)C(=O)O CS-0135968 [0,1,0,0,0,1|1,0,0]=3 403 B8R0.23 CC(C)CC(O)C(=O)[O-] CS-0570289 [0,1,0,0,0,1|1,0,0]=3 404 B8R0.23 CC(C)C[C@@H](N)C(N)=O CS-0695657 [0,1,0,0,0,1|1,0,0]=3 405 B8R0.23 CC(C)C[C@H](N)C(N)=O CS-0135142 [0,1,0,0,0,1|1,0,0]=3 406 B8R0.23 CC(C)NC(=O)C(=O)O CS-0154192 [0,1,0,0,0,1|1,0,1]=4 407 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0038142 [0,1,0,0,0,1|1,0,0]=3 408 B8R0.23 CC(CC(=O)O)N(C)C CS-0232067 [0,1,0,0,0,1|2,0,0]=4 409 B8R0.23 CN(C)C[C@H](N)C(=O)O CS-0199765 [0,1,0,0,0,1|2,0,0]=4 410 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CS-0158222 [0,1,0,0,0,1|2,0,0]=4 411 B8R0.23 C\C(=C/C(=O)O)C(C)C CS-0235038 [0,1,0,0,0,1|1,0,1]=4 412 B8R0.29 CC(=O)CNS(C)(=O)=O CS-0772432 [0,1,0,0,0,1|2,0,0]=4 413 B8R0.29 CC(=O)CSC(C)(C)C CS-0258461 [0,1,0,0,0,1|0,0,0]=2 414 B8R0.29 CC(=O)NCC(F)(F)F CS-0225876 [0,1,0,0,0,1|2,0,0]=4 415 B8R0.29 CC(=O)OC[Si](C)(C)C CS-0186200 [0,1,0,0,0,1|0,1,0]=3 416 B8R0.29 CC(=O)ONC(C)(C)C CS-0187596 [0,1,0,0,0,1|1,0,0]=3 417 B8R0.29 CC(C)(C)NCC(N)=O CS-0230430 [0,1,0,0,0,1|1,0,0]=3 418 B8R0.29 CC(C)(C)SCC(=O)O CS-0308771 [0,1,0,0,0,1|1,0,0]=3 419 B8R0.29 CC(C)(C)\C=C\C(=O)O CS-0261336 [0,1,0,0,0,1|1,0,1]=4 420 B8R0.29 CC(C)(N)CCC(=O)O CS-0714446 [0,1,0,0,0,1|1,0,0]=3 421 B8R0.29 CC(C)(O)C#CC(=O)O CS-0244851 [0,1,0,0,0,1|1,0,1]=4 422 B8R0.29 CC(C)=CC[Si](C)(C)C CS-0246746 [0,1,0,0,0,1|1,1,0]=4 423 B8R0.29 CC(C)CCC(C)(C)O CS-0274130 [0,1,0,0,0,1|0,0,2]=4 424 B8R0.29 CC(C)CNC(C)(C)C CS-0714185 [0,1,0,0,0,1|1,0,1]=4 425 B8R0.29 CC(C)CNS(C)(=O)=O CS-0171951 [0,1,0,0,0,1|1,0,0]=3 426 B8R0.29 CC(O)COC(C)(C)C CS-0071820 [0,1,0,0,0,1|0,0,2]=4 427 B8R0.2 CC(C)C(N)C(=O)NO CS-1005936 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.2 CCC(C)C(=O)C(=O)[O-] CS-0208673 [0,2,0,0,0,0|1,0,1]=4 429 B8R0.2 CCC(N)C(O)C(C)C CS-0273764 [0,2,0,0,0,0|1,0,1]=4 430 B8R0.2 CCN(C)C(C)C(=O)O CS-0335579 [0,2,0,0,0,0|2,0,0]=4 431 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CS-0011143 [0,2,0,0,0,0|1,0,0]=3 432 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O CS-0198787 [0,2,0,0,0,0|1,0,0]=3 433 B8R0.2 CC[C@H](C)[C@H](N)C(=N)O CS-W017735 [0,2,0,0,0,0|1,0,1]=4 434 B8R0.2 CNC(=O)C(N)C(C)C CS-0273640 [0,2,0,0,0,0|0,0,0]=2 435 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O CS-0719231 [0,2,0,0,0,0|1,0,0]=3 436 B8R0.2 COC(=O)C(=O)C(C)Cl CS-0468695 [0,2,0,0,0,0|1,0,1]=4 437 B8R0.2 COC(=O)C(Br)C(C)Br CS-0234295 [0,2,0,0,0,0|1,0,0]=3 438 B8R0.2 COC(=O)[C@@H](N)C(C)C CS-0093743 [0,2,0,0,0,0|0,0,0]=2 439 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CS-W022797 [0,2,0,0,0,0|1,0,0]=3 440 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O CS-0147190 [0,2,0,0,0,0|1,0,0]=3 441 B8R0.2 CON(C)C(=O)C(C)=O CS-0368169 [0,2,0,0,0,0|1,0,1]=4 442 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O CS-0158283 [0,2,0,0,0,0|1,0,0]=3 443 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O CS-0684874 [0,2,0,0,0,0|1,0,0]=3 444 B8R0.5 C#CC[C@H](N)CC(=O)O CS-0327779 [0,2,0,0,0,0|2,0,0]=4 445 B8R0.5 C=C(C)CC(C)CCC CS-0205091 [0,2,0,0,0,0|1,0,0]=3 446 B8R0.5 C=CC[C@@H](N)CC(=O)O CS-0158035 [0,2,0,0,0,0|2,0,0]=4 447 B8R0.5 CC(C)CC(=O)CC#N CS-0698963 [0,2,0,0,0,0|0,0,0]=2 448 B8R0.5 CC(C)C[C@H](N)CCO CS-0572887 [0,2,0,0,0,0|1,0,1]=4 449 B8R0.5 CC(C)NC(=O)CCCl CS-0246585 [0,2,0,0,0,0|1,0,0]=3 450 B8R0.5 CC(C)NC(=O)CCN CS-0249002 [0,2,0,0,0,0|1,0,0]=3 451 B8R0.5 CC(C)OC(=O)CCBr CS-0749273 [0,2,0,0,0,0|1,0,0]=3 452 B8R0.5 CC(C)OC(=O)CCN CS-0241136 [0,2,0,0,0,0|1,0,0]=3 453 B8R0.5 CCCC(=O)CC(C)=O CS-0258443 [0,2,0,0,0,0|1,0,1]=4 454 B8R0.5 CCCC(=O)CC(C)C CS-0454369 [0,2,0,0,0,0|0,0,0]=2 455 B8R0.5 CCCC(C)CC(=O)O CS-0700565 [0,2,0,0,0,0|1,0,0]=3 456 B8R0.5 CCCN(C)CC(=O)O CS-0258629 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.5 CCOC(=N)CC(C)C CS-0039985 [0,2,0,0,0,0|1,0,0]=3 458 B8R0.5 CCOC(=O)CC(C)N CS-0376333 [0,2,0,0,0,0|1,0,0]=3 459 B8R0.5 CCSC(C)CC(=O)O CS-0161209 [0,2,0,0,0,0|1,0,0]=3 460 B8R0.5 CNCC(=O)NC(C)C CS-0216682 [0,2,0,0,0,0|1,0,0]=3 461 B8R0.5 CNCC(=O)OC(C)C CS-0263335 [0,2,0,0,0,0|1,0,0]=3 462 B8R0.5 COCC(=O)CC(C)=O CS-0208070 [0,2,0,0,0,0|1,0,1]=4 463 B8R0.5 COC[C@H](N)CC(C)C CS-0623230 [0,2,0,0,0,0|1,0,1]=4 464 B8R0.16 C=CC(CC)OC(C)=O CS-0440529 [0,2,0,0,0,0|1,0,1]=4 465 B8R0.16 CC(=O)NC(CO)CO CS-0247899 [0,2,0,0,0,0|1,0,0]=3 466 B8R0.16 CC(=O)OC(CO)CO CS-0450287 [0,2,0,0,0,0|1,0,0]=3 467 B8R0.16 CCN(CC)CC(=O)O CS-0144095 [0,2,0,0,0,0|2,0,0]=4 468 B8R0.16 CCN(CC)CC(C)=O CS-0464136 [0,2,0,0,0,0|1,0,0]=3 469 B8R0.16 CCN(CC)CC(C)C CS-0651487 [0,2,0,0,0,0|2,0,0]=4 470 B8R0.16 CCN(CC)CC(N)=O CS-0671121 [0,2,0,0,0,0|2,0,0]=4 471 B8R0.19 CCC(C)NC(=O)CCl CS-0307562 [0,2,0,0,0,0|1,0,0]=3 472 B8R0.19 CCN(C)CC(=O)NN CS-0358837 [0,2,0,0,0,0|2,0,0]=4 473 B8R0.19 CNC(=O)CC(=O)NC CS-0772436 [0,2,0,0,0,0|1,0,1]=4 474 B8R0.19 COC(=O)CC(O)CCl CS-0440270 [0,2,0,0,0,0|1,0,0]=3 475 B8R0.19 COC(=O)CC(O)CN CS-0813801 [0,2,0,0,0,0|1,0,0]=3 476 B8R0.19 COC(=O)C[C@@H](O)CCl CS-0259583 [0,2,0,0,0,0|1,0,0]=3 477 B8R0.19 COC(=O)\C=C(/C)OC CS-0452646 [0,2,0,0,0,0|0,0,2]=4 478 B8R0.19 O=C(CCl)CC(=O)CCl CS-0757794 [0,2,0,0,0,0|1,0,1]=4 479 B8R0.19 [C@H](O)(CC)CC(=O)OC CS-W013416 [0,2,0,0,0,0|1,0,0]=3 480 B8R0.24 CC(C)(C)CC(=O)NN CS-0257209 [0,2,0,0,0,0|1,0,0]=3 481 B8R0.24 CC(C)(C)CS(=O)O[Na] CS-0646105 [0,2,0,0,0,0|2,0,0]=4 482 B8R0.24 CC(C)(C)NC(=O)CN CS-0246803 [0,2,0,0,0,0|1,0,0]=3 483 B8R0.24 CC(C)(C)NC(=O)CN CS-0970922 [0,2,0,0,0,0|1,0,0]=3 484 B8R0.24 CC(C)(C)NC(=O)CO CS-0232065 [0,2,0,0,0,0|1,0,0]=3 485 B8R0.24 CC(C)(C)OC(=O)CN CS-0129828 [0,2,0,0,0,0|1,0,0]=3 486 B8R0.24 CCC(=O)O[Si](C)(C)C CS-0504305 [0,2,0,0,0,0|1,1,0]=4 487 B8R0.24 CCC(C)CC(C)(C)O CS-0247752 [0,2,0,0,0,0|0,0,2]=4 488 B8R0.24 CCC(C)OS(C)(=O)=O CS-0049315 [0,2,0,0,0,0|2,0,0]=4 489 B8R0.24 CC[C@@H](C)OS(C)(=O)=O CS-0968269 [0,2,0,0,0,0|2,0,0]=4 490 B8R0.24 CNC(C)CS(C)(=O)=O CS-0260441 [0,2,0,0,0,0|1,0,0]=3 491 B8R0.24 COC(=O)CC(C)(C)C CS-0043307 [0,2,0,0,0,0|0,0,0]=2 492 B8R0.24 COC(=O)C[Si](C)(C)C CS-0204722 [0,2,0,0,0,0|0,1,0]=3 493 B8R0.24 COC(=O)N[Si](C)(C)C CS-0464473 [0,2,0,0,0,0|1,1,0]=4 494 B8R0.34 C#CC(C)(C)NC(C)=O CS-0258592 [0,2,0,0,0,0|1,0,0]=3 495 B8R0.34 C#CC(C)(C)NC(N)=O CS-0242745 [0,2,0,0,0,0|2,0,0]=4 496 B8R0.34 C#CC(C)(C)OC(C)=O CS-0142504 [0,2,0,0,0,0|1,0,0]=3 497 B8R0.34 C=CC(C)(C)CC(=O)O CS-0222065 [0,2,0,0,0,0|1,0,0]=3 498 B8R0.34 CC(=O)CC(C)(C)C#N CS-0245070 [0,2,0,0,0,0|0,0,0]=2 499 B8R0.34 CC(=O)NC(C)(C)C#N CS-0242845 [0,2,0,0,0,0|1,0,0]=3 500 B8R0.34 CC(=O)NC(C)(C)CO CS-0247954 [0,2,0,0,0,0|1,0,0]=3 501 B8R0.34 CC(C)(C#N)CC(=O)O CS-0186815 [0,2,0,0,0,0|1,0,0]=3 502 B8R0.34 CC(C)CC(C)(C)C#N CS-0730835 [0,2,0,0,0,0|1,0,1]=4 503 B8R0.34 CC(C)CC(C)(N)C#N CS-0450540 [0,2,0,0,0,0|1,0,1]=4 504 B8R0.34 CC(C)CC(C)(N)CN CS-0261158 [0,2,0,0,0,0|1,0,1]=4 505 B8R0.34 CCC(C)(C)CC(=O)O CS-0489276 [0,2,0,0,0,0|1,0,0]=3 506 B8R0.34 CCC(C)(C)OC(C)=O CS-0235745 [0,2,0,0,0,0|1,0,0]=3 507 B8R0.34 CCC(C)(O)CC(=O)O CS-0205329 [0,2,0,0,0,0|1,0,0]=3 508 B8R0.34 CCC(C)(O)CC(C)C CS-0327379 [0,2,0,0,0,0|0,0,2]=4 509 B8R0.34 CCS(=O)(=O)CC(C)=O CS-0261135 [0,2,0,0,0,0|2,0,0]=4 510 B8R0.34 CN(C)CC(C)(O)CN CS-0223672 [0,2,0,0,0,0|2,0,0]=4 511 B8R0.27 CC(=O)C(C)S(C)(=O)=O CS-0225615 [0,2,0,0,0,0|2,0,0]=4 512 B8R0.27 CC(C)(C)C(N)C(N)=O CS-0272489 [0,2,0,0,0,0|1,0,0]=3 513 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CS-0162061 [0,2,0,0,0,0|1,0,0]=3 514 B8R0.27 CC(C)(C)[C@H](N)C(N)=O CS-0154966 [0,2,0,0,0,0|1,0,0]=3 515 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CS-0471394 [0,2,0,0,0,0|1,0,0]=3 516 B8R0.27 CC(C)[C@H](N)C(C)(C)O CS-0236963 [0,2,0,0,0,0|0,0,2]=4 517 B8R0.33 CC(C)(C)CC(C)(C)N CS-0214117 [0,2,0,0,0,0|1,0,1]=4 518 B8R0.33 CC(C)(O)CC(C)(C)O CS-0204322 [0,2,0,0,0,0|0,0,2]=4 519 B8R0.18 CC(=O)C(C#N)C(C)C CS-0231968 [0,2,0,0,0,0|0,0,0]=2 520 B8R0.18 CC(C)C(CN)C(=O)O CS-0143431 [0,2,0,0,0,0|1,0,0]=3 521 B8R0.18 CC(C)C(CN)N(C)C CS-0215681 [0,2,0,0,0,0|2,0,0]=4 522 B8R0.18 CCC(C(=O)O)C(C)N CS-0758208 [0,2,0,0,0,0|2,0,0]=4 523 B8R0.18 CCC(C(=O)O)N(C)C CS-0231792 [0,2,0,0,0,0|2,0,0]=4 524 B8R0.18 CCC(C(C)=O)C(C)=O CS-0095587 [0,2,0,0,0,0|1,0,1]=4 525 B8R0.18 CN[C@@H](C(=O)O)C(C)C CS-0154340 [0,2,0,0,0,0|1,0,0]=3 526 B8R0.18 CN[C@H](C(=O)O)C(C)C CS-0154347 [0,2,0,0,0,0|1,0,0]=3 527 B8R0.18 COC(C(=O)O)C(C)C CS-0234414 [0,2,0,0,0,0|1,0,0]=3 528 B8R0.37 CC(=O)C(C)(C)C(C)=O CS-0582068 [0,2,0,0,0,0|1,0,1]=4 529 B8R0.37 CC(C)C(C)(O)C(=O)O CS-0119990 [0,2,0,0,0,0|1,0,0]=3 530 B8R0.37 CC(N)C(C)(C)C(=O)O CS-0758046 [0,2,0,0,0,0|2,0,0]=4 531 B6R1.2 BrC1=CCCC1 CS-0205606 [1,0,0,1,0,0|1,0,1]=4 532 B6R1.2 BrC1CCNC1 CS-0256433 [1,0,0,1,0,0|2,0,0]=4 533 B6R1.2 BrC1CCSC1 CS-0242008 [1,0,0,1,0,0|2,0,0]=4 534 B6R1.2 CC1=NCCN1 CS-0282476 [1,0,0,1,0,0|2,0,0]=4 535 B6R1.2 CC1=NCCS1 CS-W013704 [1,0,0,1,0,0|1,1,0]=4 536 B6R1.2 CC1CCCN1 CS-0051829 [1,0,0,1,0,0|1,0,1]=4 537 B6R1.2 CC1CCCS1 CS-0207040 [1,0,0,1,0,0|0,1,1]=4 538 B6R1.2 CC1CNOC1 CS-0745139 [1,0,0,1,0,0|1,0,1]=4 539 B6R1.2 C[S+]1CCCC1 CS-0503729 [1,0,0,1,0,0|1,0,1]=4 540 B6R1.2 ClC1=CCCC1 CS-0204701 [1,0,0,1,0,0|1,0,1]=4 541 B6R1.2 Cl[C@@H]1CCNC1 CS-0445255 [1,0,0,1,0,0|2,0,0]=4 542 B6R1.2 IC1CCNC1 CS-0058319 [1,0,0,1,0,0|2,0,0]=4 543 B6R1.2 IC1ccCC1 CS-0873862 [1,0,0,1,0,0|1,0,1]=4 544 B6R1.2 NC1CCSC1 CS-0184405 [1,0,0,1,0,0|2,0,0]=4 545 B6R1.2 N[C@H]1CCOC1 CS-0053253 [1,0,0,1,0,0|2,0,0]=4 546 B6R1.2 O=C1CCON1 CS-W019350 [1,0,0,1,0,0|2,0,0]=4 547 B6R1.2 O=C1NCCN1 CS-0368270 [1,0,0,1,0,0|2,0,0]=4 548 B6R1.2 [C@H]1(C)CCCN1 CS-W005764 [1,0,0,1,0,0|1,0,1]=4 549 B6R1.2 [C@H]1(N)CCNC1 CS-W017772 [1,0,0,1,0,0|2,0,0]=4 550 B6R1.3 BrCCC1CC1 CS-0053533 [1,0,0,1,0,0|1,0,1]=4 551 B6R1.3 NNCC1CC1 CS-0054606 [1,0,0,1,0,0|2,0,0]=4 552 B6R1.5 CC1CC(=O)O1 CS-0377913 [1,0,0,1,0,0|1,0,0]=3 553 B6R1.5 CN1CC(N)C1 CS-0172433 [1,0,0,1,0,0|2,0,0]=4 554 B6R1.5 O=C1CC(Br)C1 CS-0040508 [1,0,0,1,0,0|1,0,0]=3 555 B6R1.8 CC1CC1CN CS-0248472 [1,0,0,1,0,0|1,0,1]=4 556 B6R1.10 CC1(Cl)CNC1 CS-0478438 [1,0,0,1,0,0|2,0,0]=4 557 B6R1.10 CC1(N)CNC1 CS-0051248 [1,0,0,1,0,0|2,0,0]=4 558 B6R1.10 CC1(O)CNC1 CS-0139518 [1,0,0,1,0,0|2,0,0]=4 559 B6R1.10 CC1(O)CSC1 CS-0051237 [1,0,0,1,0,0|2,0,0]=4 560 B6R1.10 O=S1(=O)CCC1 CS-W011293 [1,0,0,1,0,0|2,0,0]=4 561 B6R1.11 C[C@@H](N)C1CC1 CS-0183099 [1,0,0,1,0,0|1,0,1]=4 562 B6R1.11 N=C(N)C1CC1 CS-0036166 [1,0,0,1,0,0|2,0,0]=4 563 B8R1.3 C=C1CCC(=O)CC1 CS-0465068 [0,0,0,1,0,1|0,0,2]=4 564 B8R1.3 CC1=NNC(=O)CC1 CS-1055591 [0,0,0,1,0,1|1,0,1]=4 565 B8R1.3 CC1C=CC(=O)CC1 CS-0051212 [0,0,0,1,0,1|0,0,1]=3 566 B8R1.3 CC1CCC(N)CC1 CS-0439724 [0,0,0,1,0,1|1,0,1]=4 567 B8R1.3 CC1CNC(=O)CN1 CS-0050431 [0,0,0,1,0,1|1,0,0]=3 568 B8R1.3 CC1CNC(C)CN1 CS-0262864 [0,0,0,1,0,1|1,0,1]=4 569 B8R1.3 CN1CC=C(Br)CC1 CS-0696146 [0,0,0,1,0,1|2,0,0]=4 570 B8R1.3 C[C@@H]1CO[C@H](C)CN1 CS-0245663 [0,0,0,1,0,1|0,0,2]=4 571 B8R1.3 C[C@H]1CC[C@H](C)CC1 CS-0199036 [0,0,0,1,0,1|1,0,1]=4 572 B8R1.3 C[C@H]1CNC(=O)CN1 CS-0053133 [0,0,0,1,0,1|1,0,0]=3 573 B8R1.3 C[C@H]1CN[C@H](C)CO1 CS-0040651 [0,0,0,1,0,1|0,0,2]=4 574 B8R1.3 O=C1CCC(=O)NC1 CS-0009359 [0,0,0,1,0,1|1,0,1]=4 575 B8R1.3 O=C1CCC(Br)CC1 CS-0139183 [0,0,0,1,0,1|1,0,0]=3 576 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [0,0,0,1,0,1|1,0,0]=3 577 B8R1.3 O=C1NCC(O)CN1 CS-0149711 [0,0,0,1,0,1|2,0,0]=4 578 B8R1.3 [C@H]1(N)CCC(O)=NC1 CS-W006881 [0,0,0,1,0,1|1,0,1]=4 579 B8R1.23 CC(C)C1CC(=O)N1 CS-0185257 [0,0,0,1,0,1|0,0,0]=2 580 B8R1.23 CC(C)N1CC(O)C1 CS-0053849 [0,0,0,1,0,1|0,0,2]=4 581 B8R1.23 NC1CC(C(=O)O)C1 CS-0051537 [0,0,0,1,0,1|2,0,0]=4 582 B8R1.23 O=C(O)C1CC(Br)C1 CS-0309921 [0,0,0,1,0,1|2,0,0]=4 583 B8R1.23 O=C(O)C1CC(O)C1 CS-W019144 [0,0,0,1,0,1|2,0,0]=4 584 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 CS-0047788 [0,0,0,1,0,1|2,0,0]=4 585 B8R1.35 CC(C)CNC1CC1 CS-0440038 [0,0,0,1,0,1|1,0,1]=4 586 B8R1.35 CC(C)NCC1CC1 CS-0247678 [0,0,0,1,0,1|1,0,1]=4 587 B8R1.35 CC(O)CNC1CC1 CS-0243796 [0,0,0,1,0,1|0,0,2]=4 588 B8R1.35 NC(=O)NCC1CC1 CS-0248507 [0,0,0,1,0,1|1,0,0]=3 589 B8R1.35 NC(=S)NCC1CC1 CS-0239616 [0,0,0,1,0,1|1,1,0]=4 590 B8R1.35 O=C(O)CNC1CC1 CS-0249120 [0,0,0,1,0,1|1,0,0]=3 591 B8R1.35 O=C(O)\C=C\C1CC1 CS-0062478 [0,0,0,1,0,1|1,0,1]=4 592 B8R1.51 CC1(C)CNC(=O)C1 CS-M3328 [0,0,0,1,0,1|0,0,0]=2 593 B8R1.51 CC1(C)CNC(=O)N1 CS-0496001 [0,0,0,1,0,1|1,0,0]=3 594 B8R1.51 CC1(C)OCC(=O)O1 CS-W011234 [0,0,0,1,0,1|1,0,0]=3 595 B8R1.51 CC1COC(C)(C)O1 CS-0442298 [0,0,0,1,0,1|0,0,2]=4 596 B8R1.77 CC1(C)CC1C(N)=O CS-0144916 [0,0,0,1,0,1|1,0,0]=3 597 B8R1.1 CC1=NOC(CN)C1 CS-0215417 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.1 CC1=NOC(CO)C1 CS-0218036 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.1 CCC1CCC(=O)C1 CS-0206422 [0,1,0,1,0,0|0,0,0]=2 600 B8R1.1 CN1CCC(CN)C1 CS-0053642 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.1 CN1CC[C@@H](CN)C1 CS-0053042 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.1 CN[C@H]1CCN(C)C1 CS-0053256 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.1 CO[C@@H]1CC[C@H](N)C1 CS-0613344 [0,1,0,1,0,0|1,0,1]=4 604 B8R1.1 CO[C@H]1CC[C@@H](N)C1 CS-0887070 [0,1,0,1,0,0|1,0,1]=4 605 B8R1.1 CSC1CCC(N)C1 CS-0264140 [0,1,0,1,0,0|1,0,1]=4 606 B8R1.1 N#CC1CCC(=O)C1 CS-0035459 [0,1,0,1,0,0|0,0,1]=3 607 B8R1.1 NCC1CNC(=O)O1 CS-0050769 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.1 NC[C@@H]1CNC(=O)O1 CS-0053138 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.1 O=C1CC(CBr)CN1 CS-0070174 [0,1,0,1,0,0|1,0,0]=3 610 B8R1.1 O=C1CCC(CI)N1 CS-0511747 [0,1,0,1,0,0|1,0,0]=3 611 B8R1.1 O=C1CC[C@H](CO)O1 CS-0046919 [0,1,0,1,0,0|1,0,0]=3 612 B8R1.1 O=C1C[C@@H](CO)CN1 CS-0471469 [0,1,0,1,0,0|1,0,0]=3 613 B8R1.1 O=C1NCC(CO)N1 CS-1009826 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.4 CC1CCCC(=O)C1 CS-W011266 [0,1,0,1,0,0|0,0,0]=2 615 B8R1.4 CC1CCCC(Br)C1 CS-0260886 [0,1,0,1,0,0|1,0,1]=4 616 B8R1.4 CC1CCCC(O)C1 CS-W011243 [0,1,0,1,0,0|0,0,2]=4 617 B8R1.4 CC1CCOC(=O)O1 CS-0062234 [0,1,0,1,0,0|1,0,0]=3 618 B8R1.4 CN1CCC=C(Br)C1 CS-W001547 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.4 CN1CCCC(=O)C1 CS-0664942 [0,1,0,1,0,0|1,0,0]=3 620 B8R1.4 C[C@@H]1CCCC(=O)C1 CS-0217860 [0,1,0,1,0,0|0,0,0]=2 621 B8R1.4 C[C@@H]1CCC[C@H](O)C1 CS-0474738 [0,1,0,1,0,0|0,0,2]=4 622 B8R1.4 C[C@@H]1CN(C)CCN1 CS-0183873 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.4 C[C@@H]1CNC[C@H](C)C1 CS-0260825 [0,1,0,1,0,0|1,0,1]=4 624 B8R1.4 C[C@@H]1C[C@@H](O)CCO1 CS-0858466 [0,1,0,1,0,0|0,0,2]=4 625 B8R1.4 C[C@H]1C[C@@H](O)CCO1 CS-0183100 [0,1,0,1,0,0|0,0,2]=4 626 B8R1.4 NC1CCCC(=O)C1 CS-0055078 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.4 NC1CCCC(=O)C1 CS-0464639 [0,1,0,1,0,0|1,0,0]=3 628 B8R1.4 NC1CCN=C(O)C1 CS-W005407 [0,1,0,1,0,0|1,0,1]=4 629 B8R1.4 O=C1CCCC(O)C1 CS-0051335 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.4 O=C1COCC(=O)C1 CS-W005641 [0,1,0,1,0,0|1,0,1]=4 631 B8R1.18 C=C1CC(C)OC1=O CS-0167387 [0,1,0,1,0,0|1,0,1]=4 632 B8R1.18 CC1=CC(=O)CC1C CS-0186737 [0,1,0,1,0,0|0,0,1]=3 633 B8R1.18 CC1=NN(C)C(=O)C1 CS-W013658 [0,1,0,1,0,0|1,0,1]=4 634 B8R1.18 CC1CC(=O)N(C)N1 CS-0667270 [0,1,0,1,0,0|1,0,0]=3 635 B8R1.31 CC(C)[C@H]1OC[C@H]1N CS-1055944 [0,1,0,1,0,0|1,0,1]=4 636 B8R1.31 CC1CCC1C(=O)O CS-0308594 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O CS-0053427 [0,1,0,1,0,0|1,0,0]=3 638 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O CS-0650067 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O CS-0047827 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.31 O=C(O)C1CCC1F CS-0184829 [0,1,0,1,0,0|2,0,0]=4 641 B8R1.34 CC(=O)OC1CNC1 CS-0163432 [0,1,0,1,0,0|1,0,0]=3 642 B8R1.34 CC(C)CC1CNC1 CS-0623031 [0,1,0,1,0,0|1,0,1]=4 643 B8R1.34 CN(C)C[C@H]1CCN1 CS-0623547 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.34 O=C(O)CC1CNC1 CS-0052252 [0,1,0,1,0,0|1,0,0]=3 645 B8R1.34 O=C(O)CC1CNC1 CS-0099407 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.34 O=C([O-])CC1COC1 CS-0185438 [0,1,0,1,0,0|1,0,0]=3 647 B8R1.40 C=CC(=O)NC1CC1 CS-0223017 [0,1,0,1,0,0|1,0,1]=4 648 B8R1.40 CN(C=O)CC1CC1 CS-0239036 [0,1,0,1,0,0|1,0,0]=3 649 B8R1.40 CNC(=S)NC1CC1 CS-0257654 [0,1,0,1,0,0|1,1,0]=4 650 B8R1.40 N=C(CC1CC1)NO CS-0264660 [0,1,0,1,0,0|1,0,1]=4 651 B8R1.40 NC(CO)CC1CC1 CS-0091357 [0,1,0,1,0,0|1,0,1]=4 652 B8R1.40 NCC(=O)NC1CC1 CS-0110031 [0,1,0,1,0,0|1,0,0]=3 653 B8R1.40 NNC(=O)CC1CC1 CS-0251865 [0,1,0,1,0,0|1,0,0]=3 654 B8R1.40 NNC(=O)NC1CC1 CS-0251692 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.42 CN(C)CC1(N)CC1 CS-0308685 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.43 CCC1CC1C(=O)O CS-0238141 [0,1,0,1,0,0|1,0,0]=3 657 B8R1.43 N#CC1CC1C(=O)O CS-0054093 [0,1,0,1,0,0|1,0,1]=4 658 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O CS-0049742 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.53 CC1(C)CC(CBr)C1 CS-0051713 [0,1,0,1,0,0|1,0,1]=4 660 B8R1.53 CC1(C)CC(CN)C1 CS-0056563 [0,1,0,1,0,0|1,0,1]=4 661 B8R1.53 CC1(C)CC(CO)C1 CS-0071139 [0,1,0,1,0,0|0,0,2]=4 662 B8R1.62 C=C1CC(C)(C#N)C1 CS-0057716 [0,1,0,1,0,0|1,0,1]=4 663 B8R1.62 CC1(C#N)CC(=O)C1 CS-0052447 [0,1,0,1,0,0|0,0,1]=3 664 B8R1.83 CC1CC1C(=O)NN CS-0259005 [0,1,0,1,0,0|1,0,0]=3 665 B8R1.83 COC(=O)C1CC1C CS-0253074 [0,1,0,1,0,0|0,0,0]=2 666 B8R1.56 CS(=O)(=O)NC1CC1 CS-0245812 [0,1,0,1,0,0|2,0,0]=4 667 B8R1.50 CC1=C(Br)C(=O)CC1 CS-0757581 [0,1,0,1,0,0|0,0,2]=4 668 B8R1.50 CC1=C(C)C(=O)CC1 CS-0253128 [0,1,0,1,0,0|0,0,2]=4 669 B8R1.50 CC1=C(O)C(=O)CC1 CS-W013661 [0,1,0,1,0,0|0,0,2]=4 670 B8R1.50 CC1CCC(=O)N1C CS-0747014 [0,1,0,1,0,0|1,0,0]=3 671 B8R1.50 CC1CCC(C)C1C CS-0069690 [0,1,0,1,0,0|1,0,1]=4 672 B8R1.50 CN1C(=O)CCC1O CS-W000536 [0,1,0,1,0,0|2,0,0]=4 673 B8R1.54 NC(=O)C(O)C1CC1 CS-0230479 [0,1,0,1,0,0|1,0,0]=3 674 B8R1.54 NC(C(=O)O)C1CC1 CS-0171561 [0,1,0,1,0,0|1,0,0]=3 675 B8R1.54 NC(C(=O)O)C1CC1 CS-0447581 [0,1,0,1,0,0|1,0,0]=3 676 B8R1.54 O=C([O-])C(=O)C1CC1 CS-0223714 [0,1,0,1,0,0|1,0,1]=4 677 B8R2.18 [C@H]12C[C@@H](O)C[C@H]1C2 CS-0054512 [0,0,0,2,0,0|0,0,2]=4 678 B8R2.34 C1CC2CC1CN2 CS-W016661 [0,0,0,2,0,0|1,0,1]=4 679 B8R2.34 [C@H]12CC[C@H](C1)NC2 CS-0067821 [0,0,0,2,0,0|1,0,1]=4 680 B8R2.38 O=C1CCC2CC12 CS-0144918 [0,0,0,2,0,0|0,0,0]=2 681 B8R2.38 [C@H]12C[C@H]1CCC2=O CS-0055792 [0,0,0,2,0,0|0,0,0]=2 682 B8R0.28 CC(=O)CCCN(C)C CS-0272152 [0,0,0,0,0,2|1,0,0]=3 683 B8R0.28 CC(=O)CCOC(C)=O CS-0155058 [0,0,0,0,0,2|1,0,1]=4 684 B8R0.28 CC(=O)CCOC(C)C CS-0274586 [0,0,0,0,0,2|0,0,0]=2 685 B8R0.28 CC(=O)CSCC(C)C CS-0259166 [0,0,0,0,0,2|0,0,0]=2 686 B8R0.28 CC(=O)OCCN(C)C CS-0205959 [0,0,0,0,0,2|1,0,0]=3 687 B8R0.28 CC(C)=CCC[C@H](C)O CS-0877163 [0,0,0,0,0,2|2,0,0]=4 688 B8R0.28 CC(C)CCCC(=O)O CS-0096310 [0,0,0,0,0,2|1,0,0]=3 689 B8R0.28 CC(C)CCCC(C)O CS-0274181 [0,0,0,0,0,2|0,0,2]=4 690 B8R0.28 CC(C)CCNC(N)=S CS-0765727 [0,0,0,0,0,2|1,1,0]=4 691 B8R0.28 CC(C)COCC(=O)O CS-0183525 [0,0,0,0,0,2|1,0,0]=3 692 B8R0.28 CC(C)CSCC(=O)O CS-0248482 [0,0,0,0,0,2|1,0,0]=3 693 B8R0.28 CC(C)CSCC(C)C CS-0453985 [0,0,0,0,0,2|1,0,1]=4 694 B8R0.28 CC(C)NCCC(=O)O CS-0244271 [0,0,0,0,0,2|1,0,0]=3 695 B8R0.28 CC(C)NCCN(C)C CS-0223393 [0,0,0,0,0,2|2,0,0]=4 696 B8R0.28 CC(C)\C=C\CC(=O)O CS-0154348 [0,0,0,0,0,2|1,0,0]=3