0 B5R0.1 C=C(C)CNC CS-0162572 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 C=C(C)CON CS-0158063 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.1 C=CNC(C)=O CS-0167831 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 CC#CC(C)O CS-0264164 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.1 CC(=N)NC#N CS-0966919 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC(=O)\C=N/O CS-W013750 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.1 CC(=O)\C=N\O CS-0047592 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.1 CC(Br)CCBr CS-0186296 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CC(Br)CCO CS-0902584 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CC(C)CCN CS-0214104 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CC(Cl)CCCl CS-0442069 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CC(O)CCN CS-0113030 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 CC(O)CCN CS-0113103 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 CCCC(=O)[O-] CS-0188375 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.1 CCCC(C)N CS-0216448 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CCCS(=O)[O-] CS-0298073 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 CCNC(=N)N CS-0298605 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 CCOC(C)=S CS-0265613 [0,0,0,0,0,0|0,1,0]=1 18 B5R0.1 CCOC(C)Cl CS-0233243 [0,0,0,0,0,0|1,0,1]=2 19 B5R0.1 CCOC(N)=S CS-0265370 [0,0,0,0,0,0|1,1,0]=2 20 B5R0.1 CCSC(=N)N CS-0093925 [0,0,0,0,0,0|2,1,0]=3 21 B5R0.1 CC\N=C(\C)O CS-W011352 [0,0,0,0,0,0|1,0,1]=2 22 B5R0.1 CN(C)CCN CS-0214118 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 CNCC(C)=O CS-0656412 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.1 CNCC(C)C CS-0252120 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.1 CNOC(C)=O CS-0449138 [0,0,0,0,0,0|1,0,0]=1 26 B5R0.1 COCC(C)Br CS-0139276 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 COCC(C)N CS-0148794 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 COCC(N)=O CS-0186655 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.1 CONC(C)=O CS-0235532 [0,0,0,0,0,0|2,0,0]=2 30 B5R0.1 CS(=O)CCN CS-0217217 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.1 CSC=[N+](C)C CS-0460063 [0,0,0,0,0,0|4,0,0]=4 32 B5R0.1 CSCC(C)=O CS-0206376 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.1 C\C=C\C(C)O CS-0187943 [0,0,0,0,0,0|1,0,3]=4 34 B5R0.1 C\C=C\C(N)=O CS-0336304 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.1 NCCC(=O)[O-] CS-0771386 [0,0,0,0,0,0|3,0,0]=3 36 B5R0.1 NNCC(=O)O CS-0697279 [0,0,0,0,0,0|4,0,0]=4 37 B5R0.1 O=C(O)\C=C/Br CS-0696116 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.1 O=C(O)\C=C\Cl CS-0204258 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.1 [Li]OOP(=O)=O CS-0376128 [0,0,0,0,0,0|4,0,0]=4 40 B4R0.1 C=C(Br)CI CS-0249107 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 C=C(Cl)CO CS-0204551 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 C=C(I)CO CS-0523656 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 C=CC(=O)O CS-0167345 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.1 C=CC(=O)[O-] CS-0167349 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.1 CC(=N)NN CS-W005939 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 CC(=O)CN CS-0697654 [1,0,0,0,0,0|1,0,0]=2 47 B4R0.1 CC(=O)O[Cs] CS-0085593 [1,0,0,0,0,0|1,0,0]=2 48 B4R0.1 CC(Br)CN CS-0154044 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 CC(C)CN CS-0214119 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 CC(Cl)CN CS-0668764 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 CC(O)CS CS-0265005 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.1 CCC(=N)N CS-0152666 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 CC[PH](C)=O CS-0637552 [1,0,0,0,0,0|1,0,0]=2 54 B4R0.1 CNC(=N)N CS-0205049 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 COC(C)=N CS-0134497 [1,0,0,0,0,0|1,0,0]=2 56 B4R0.1 CSC(=N)N CS-0179522 [1,0,0,0,0,0|2,1,0]=4 57 B4R0.1 CSC(C)=O CS-0154991 [1,0,0,0,0,0|0,1,0]=2 58 B4R0.1 CS[S+](C)C CS-0622317 [1,0,0,0,0,0|2,1,0]=4 59 B4R0.1 C[C@H](O)CCl CS-0158252 [1,0,0,0,0,0|1,0,2]=4 60 B4R0.1 C\C=C(/C)Br CS-0613808 [1,0,0,0,0,0|1,0,1]=3 61 B4R0.1 C\C=C(\C)Br CS-0444617 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 NC(=O)CS CS-0094728 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.1 NCC(N)=O CS-0685233 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 O=C(O)CO CS-0205290 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 O=C(O)[Ba]O CS-0783548 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.1 O=C([O-])CO CS-0110893 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.1 O=P(=O)OO CS-0653223 [1,0,0,0,0,0|3,0,0]=4 68 B4R0.1 O=P(=O)OO CS-0653231 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.1 O=S(O)CF CS-0779635 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.1 O=S(O)CO CS-0699021 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.1 O=[Si]([CaH])OO CS-0636733 [1,0,0,0,0,0|2,1,0]=4 72 B4R0.2 C(Cl)=CCCl CS-W011274 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.2 C=CCCN CS-0227046 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 CCCCN CS-0214095 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 CCCC[O-] CS-0870886 [1,0,0,0,0,0|1,0,2]=4 76 B4R0.2 CCCON CS-0106185 [1,0,0,0,0,0|3,0,0]=4 77 B4R0.2 CCNCC CS-0621902 [1,0,0,0,0,0|1,0,1]=3 78 B4R0.2 CCNOC CS-0160235 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.2 CCSSC CS-0343199 [1,0,0,0,0,0|1,1,0]=3 80 B4R0.2 CC\C=N\O CS-0239378 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.2 CNCCF CS-0103514 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.2 CNCCN CS-W003799 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.2 COCCN CS-0115625 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.2 COCCN CS-0214155 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.2 CSCCBr CS-0208163 [1,0,0,0,0,0|3,0,0]=4 86 B4R0.2 CSCCN CS-W016668 [1,0,0,0,0,0|3,0,0]=4 87 B4R0.2 [Li]OOC=O CS-0376129 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.1 C(C)=CC(=O)CC CS-W013723 [0,1,0,0,0,0|1,0,1]=3 89 B6R0.1 CCCC(=O)CCl CS-0252325 [0,1,0,0,0,0|1,0,0]=2 90 B6R0.1 CCCC(=O)NO CS-0179704 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.1 CCCC(C)C#N CS-0251151 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.1 CCCC(N)CO CS-0089892 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.1 CCC[C@@H](N)CO CS-0088083 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.1 CCC[C@@H](N)CO CS-1181369 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.1 CCNC(=O)CC CS-0205055 [0,1,0,0,0,0|1,0,0]=2 96 B6R0.1 CCNC(=O)CCl CS-0037573 [0,1,0,0,0,0|1,0,0]=2 97 B6R0.1 CCNC(=O)CI CS-0258404 [0,1,0,0,0,0|1,0,0]=2 98 B6R0.1 CCNC(=O)CN CS-0464992 [0,1,0,0,0,0|1,0,0]=2 99 B6R0.1 CCNC(=O)CO CS-0239967 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.1 CCNC(=S)NN CS-0187585 [0,1,0,0,0,0|2,1,0]=4 101 B6R0.1 CCNC(C)CO CS-0298610 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.1 CCOC(=N)CC CS-0047019 [0,1,0,0,0,0|1,0,0]=2 103 B6R0.1 CCOC(=N)CCl CS-0208478 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.1 CCOC(=O)NO CS-0235105 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.1 CCS(=O)CCCl CS-0697603 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.1 CCSC(=O)CC CS-0313626 [0,1,0,0,0,0|0,1,0]=2 107 B6R0.1 CN(C=O)CCO CS-0315134 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.1 CNC(=O)CCN CS-0665982 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.1 CNC(=O)COC CS-0243458 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.1 CNCC(=O)NC CS-0039124 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.1 CNCC(=O)NC CS-0213249 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.1 COC(=O)\C=C/Br CS-0668651 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.1 COC(=O)\C=C\Br CS-0694059 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.1 CONC(=O)OC CS-0160296 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.1 CSCC(=O)NN CS-0224650 [0,1,0,0,0,0|3,0,0]=4 116 B6R0.1 C\N=C(/O)CCN CS-W007299 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.2 CC(=O)NC(C)=O CS-0188389 [0,1,0,0,0,0|1,0,1]=3 118 B6R0.2 CC(=O)NC(N)=O CS-W013697 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.2 CC(=O)SC(C)=O CS-0622069 [0,1,0,0,0,0|0,1,1]=3 120 B6R0.2 CC(=O)[CH-]C(C)=O CS-0871014 [0,1,0,0,0,0|1,0,1]=3 121 B6R0.2 CC(=O)\C=C(\C)N CS-0369638 [0,1,0,0,0,0|1,0,1]=3 122 B6R0.2 CC(Br)CC(C)Br CS-0621868 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.2 CC(C)=CC(C)O CS-0006593 [0,1,0,0,0,0|2,0,0]=3 124 B6R0.2 CC(C)=NN(C)C CS-0205033 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.2 CC(C)CC(=N)N CS-0122240 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.2 CC(C)CC(C)Br CS-0273922 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.2 CC(C)C[C@@H](C)O CS-0273778 [0,1,0,0,0,0|1,0,2]=4 128 B6R0.2 CC(C)NC(C)C CS-0214061 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.2 CC(C)SC(=N)N CS-0651375 [0,1,0,0,0,0|2,1,0]=4 130 B6R0.2 CC(Cl)CC(=O)O CS-0206565 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.2 CC(O)CN(C)C CS-0504044 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.2 CN(C)CC(N)=O CS-0159757 [0,1,0,0,0,0|3,0,0]=4 133 B6R0.2 CN(C)NC(N)=O CS-0450115 [0,1,0,0,0,0|3,0,0]=4 134 B6R0.2 C[S+](C)CC(=O)O CS-0204683 [0,1,0,0,0,0|3,0,0]=4 135 B6R0.2 C[S+](C)CC(=O)[O-] CS-0674576 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.2 C\C(Cl)=C\C(=O)O CS-0245046 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.3 C=C(CO)C(=O)O CS-0234763 [0,1,0,0,0,0|3,0,0]=4 138 B6R0.3 CC(=O)C(C)C#N CS-0171662 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.3 CC(CN)C(=O)O CS-0154043 [0,1,0,0,0,0|3,0,0]=4 140 B6R0.3 CC(CS)C(=O)O CS-0141858 [0,1,0,0,0,0|3,0,0]=4 141 B6R0.3 CCC(C)C(C)Br CS-0242604 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.3 CCC(Cl)C(=O)O CS-0283480 [0,1,0,0,0,0|2,0,0]=3 143 B6R0.3 CCC(N)C(C)C CS-0251418 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.3 CCC(O)C(C)O CS-0243433 [0,1,0,0,0,0|1,0,2]=4 145 B6R0.3 CC[C@@H](C)C(N)=O CS-0604251 [0,1,0,0,0,0|2,0,0]=3 146 B6R0.3 CC[C@@H](Cl)C(=O)O CS-0198794 [0,1,0,0,0,0|2,0,0]=3 147 B6R0.3 CC[C@H](O)C(=O)O CS-1022965 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.3 CC[C@H](S)C(=O)O CS-0442983 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.3 CNC(C)C(=O)O CS-0662516 [0,1,0,0,0,0|3,0,0]=4 150 B6R0.3 CN[C@@H](C)C(N)=O CS-0224966 [0,1,0,0,0,0|3,0,0]=4 151 B6R0.3 CN[C@@H](C)C(N)=O CS-0966766 [0,1,0,0,0,0|3,0,0]=4 152 B6R0.3 CN[C@H](C)C(=O)O CS-0687682 [0,1,0,0,0,0|3,0,0]=4 153 B6R0.3 CN[C@H](C)C(N)=O CS-0225838 [0,1,0,0,0,0|3,0,0]=4 154 B6R0.3 CSC(C)C(=O)O CS-0668009 [0,1,0,0,0,0|3,0,0]=4 155 B6R0.3 C\C=C(/Br)C(=O)O CS-0667066 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.3 C\C=C(/C)C(C)=O CS-0504210 [0,1,0,0,0,0|1,0,1]=3 157 B6R0.3 C\C=C(/O)C(=O)O CS-0514888 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.3 NC(=O)C(Cl)CCl CS-0315076 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.3 NC(=O)[C@@H](N)CO CS-0091329 [0,1,0,0,0,0|3,0,0]=4 160 B6R0.3 NC(CCl)C(=O)O CS-W016172 [0,1,0,0,0,0|3,0,0]=4 161 B6R0.3 N[C@@H](CCl)C(=O)O CS-0133369 [0,1,0,0,0,0|3,0,0]=4 162 B6R0.3 O=C(O)C(=O)CBr CS-0518643 [0,1,0,0,0,0|3,0,0]=4 163 B6R0.3 O=C(O)[C@H](O)CO CS-0179318 [0,1,0,0,0,0|3,0,0]=4 164 B6R0.3 O=C([O-])C(=O)CF CS-0450027 [0,1,0,0,0,0|3,0,0]=4 165 B6R0.4 C=C(C)CNCC CS-0119901 [0,1,0,0,0,0|2,0,0]=3 166 B6R0.4 CC(=O)CCCBr CS-0103669 [0,1,0,0,0,0|1,0,0]=2 167 B6R0.4 CC(=O)CSC#N CS-0239749 [0,1,0,0,0,0|1,1,1]=4 168 B6R0.4 CC(=O)NCC#N CS-0514945 [0,1,0,0,0,0|1,0,1]=3 169 B6R0.4 CC(=O)NCCN CS-W013694 [0,1,0,0,0,0|1,0,0]=2 170 B6R0.4 CC(=O)OCC#N CS-0248523 [0,1,0,0,0,0|0,0,1]=2 171 B6R0.4 CC(=O)SCCN CS-0256575 [0,1,0,0,0,0|0,1,0]=2 172 B6R0.4 CC(=O)SCCN CS-0680538 [0,1,0,0,0,0|0,1,0]=2 173 B6R0.4 CC(C)=CCC#N CS-0665898 [0,1,0,0,0,0|2,0,1]=4 174 B6R0.4 CC(C)CCCI CS-0570782 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.4 CC(C)SCCN CS-0214989 [0,1,0,0,0,0|1,1,1]=4 176 B6R0.4 CC(O)CCCCl CS-0210356 [0,1,0,0,0,0|1,0,2]=4 177 B6R0.4 CCC#CC(C)O CS-W013721 [0,1,0,0,0,0|1,0,2]=4 178 B6R0.4 CCCCC(=O)Br CS-0185634 [0,1,0,0,0,0|2,0,0]=3 179 B6R0.4 CCCCC(C)Br CS-0206476 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.4 CCCCC(C)Cl CS-0102663 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.4 CCCCC(N)=O CS-0206049 [0,1,0,0,0,0|2,0,0]=3 182 B6R0.4 CCCNC(=N)N CS-0230450 [0,1,0,0,0,0|3,0,0]=4 183 B6R0.4 CCCNC(N)=O CS-0207277 [0,1,0,0,0,0|2,0,0]=3 184 B6R0.4 CCCNC(N)=S CS-0128708 [0,1,0,0,0,0|2,1,0]=4 185 B6R0.4 CCNCC(=O)O CS-0250575 [0,1,0,0,0,0|2,0,0]=3 186 B6R0.4 CCNCC(C)O CS-0622152 [0,1,0,0,0,0|1,0,2]=4 187 B6R0.4 CCNC[C@H](C)O CS-0670719 [0,1,0,0,0,0|1,0,2]=4 188 B6R0.4 CCOCC(=N)N CS-0299543 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.4 CCOCC(C)N CS-0688785 [0,1,0,0,0,0|1,0,1]=3 190 B6R0.4 CCONC(C)=O CS-0017501 [0,1,0,0,0,0|0,0,0]=1 191 B6R0.4 CC\C=C\C(C)=O CS-0782888 [0,1,0,0,0,0|1,0,0]=2 192 B6R0.4 CNCCC(C)C CS-W018343 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.4 COCCC(=N)N CS-0046979 [0,1,0,0,0,0|3,0,0]=4 194 B6R0.4 COCCC(=N)N CS-0261114 [0,1,0,0,0,0|3,0,0]=4 195 B6R0.4 COCCC(N)=O CS-0251977 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.4 COCCC(N)=S CS-0355835 [0,1,0,0,0,0|2,1,0]=4 197 B6R0.4 COCCS(=O)O CS-0902763 [0,1,0,0,0,0|3,0,0]=4 198 B6R0.4 CO\N=C\C(=O)O CS-0232698 [0,1,0,0,0,0|3,0,0]=4 199 B6R0.4 CSCCC(=N)N CS-0259328 [0,1,0,0,0,0|3,0,0]=4 200 B6R0.4 CSCCC(C)N CS-0262000 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.4 CSCOC(C)=O CS-0316444 [0,1,0,0,0,0|0,0,0]=1 202 B6R0.4 C\C(O)=N\CCCl CS-W011197 [0,1,0,0,0,0|1,0,1]=3 203 B6R0.4 C\C=N\NC(N)=O CS-0465922 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.4 FC(F)=CCCBr CS-0206787 [0,1,0,0,0,0|3,0,0]=4 205 B6R0.4 N#CCNC(N)=O CS-0454053 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.4 N=C(N)NCCO CS-0261897 [0,1,0,0,0,0|3,0,0]=4 207 B6R0.4 N=C(N)SCCO CS-0243233 [0,1,0,0,0,0|2,1,0]=4 208 B6R0.4 NC(=O)CCCCl CS-0660671 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.4 NC(=O)CCCO CS-0678691 [0,1,0,0,0,0|2,0,0]=3 210 B6R0.4 NC(=O)OCCO CS-0218046 [0,1,0,0,0,0|1,0,0]=2 211 B6R0.4 NCCCC(=O)O CS-0259736 [0,1,0,0,0,0|2,0,0]=3 212 B6R0.4 NCCNC(N)=O CS-0806746 [0,1,0,0,0,0|2,0,0]=3 213 B6R0.4 NCCOC(N)=O CS-0231941 [0,1,0,0,0,0|1,0,0]=2 214 B6R0.4 O=C(O)CCCI CS-0045052 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.5 CCCC(C)(C)N CS-0252557 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.5 CCCS(=O)(=O)F CS-0251198 [0,1,0,0,0,0|3,0,0]=4 217 B6R0.5 CCCS(=O)(=O)O CS-0204485 [0,1,0,0,0,0|3,0,0]=4 218 B6R1.2 BrC1=CCCC1 CS-0205606 [0,0,0,1,0,0|2,0,0]=3 219 B6R1.2 CC1=NCCN1 CS-0282476 [0,0,0,1,0,0|2,0,0]=3 220 B6R1.2 CC1=NCCS1 CS-W013704 [0,0,0,1,0,0|1,1,0]=3 221 B6R1.2 CC1CCCN1 CS-0051829 [0,0,0,1,0,0|2,0,1]=4 222 B6R1.2 CC1CCCS1 CS-0207040 [0,0,0,1,0,0|1,1,1]=4 223 B6R1.2 C[S+]1CCCC1 CS-0503729 [0,0,0,1,0,0|3,0,0]=4 224 B6R1.2 ClC1=CCCC1 CS-0204701 [0,0,0,1,0,0|2,0,0]=3 225 B6R1.2 IC1=COCC1 CS-0504678 [0,0,0,1,0,0|3,0,0]=4 226 B6R1.2 N=C1NCCO1 CS-0265648 [0,0,0,1,0,0|2,0,0]=3 227 B6R1.2 N=C1NCCS1 CS-W016484 [0,0,0,1,0,0|2,1,0]=4 228 B6R1.2 NC1=NCCO1 CS-0186913 [0,0,0,1,0,0|2,0,0]=3 229 B6R1.2 O=C1C=CCN1 CS-0135756 [0,0,0,1,0,0|1,0,2]=4 230 B6R1.2 O=C1CCON1 CS-W019350 [0,0,0,1,0,0|2,0,0]=3 231 B6R1.2 O=C1NCCN1 CS-0368270 [0,0,0,1,0,0|2,0,0]=3 232 B6R1.2 OC1=NCNC1 CS-W006727 [0,0,0,1,0,0|2,0,1]=4 233 B6R1.2 OC1CCCO1 CS-0197674 [0,0,0,1,0,0|0,0,2]=3 234 B6R1.2 [C@H]1(C)CCCN1 CS-W005764 [0,0,0,1,0,0|2,0,1]=4 235 B6R1.5 CC1CC(=O)O1 CS-0377913 [0,0,0,1,0,0|0,0,0]=1 236 B6R1.5 O=C1CC(Br)C1 CS-0040508 [0,0,0,1,0,0|2,0,0]=3 237 B6R1.10 O=S1(=O)CCC1 CS-W011293 [0,0,0,1,0,0|3,0,0]=4 238 B6R1.11 C[C@@H](N)C1CC1 CS-0183099 [0,0,0,1,0,0|2,0,1]=4 239 B6R1.11 N=C(N)C1CC1 CS-0036166 [0,0,0,1,0,0|3,0,0]=4 240 B3R0.1 CCNC CS-0433089 [2,0,0,0,0,0|1,0,0]=3 241 B3R0.2 CC(=N)N CS-0214127 [2,0,0,0,0,0|2,0,0]=4 242 B3R0.2 CC(=O)O CS-0452080 [2,0,0,0,0,0|0,0,0]=2 243 B3R0.2 CC(=O)[O-] CS-0514854 [2,0,0,0,0,0|0,0,1]=3 244 B3R0.2 CC(C)C CS-0088231 [2,0,0,0,0,0|1,0,1]=4 245 B3R0.2 CC(C)[O-] CS-0870864 [2,0,0,0,0,0|0,0,2]=4 246 B3R0.2 CN(C)C CS-0852207 [2,0,0,0,0,0|2,0,0]=4 247 B3R0.2 C[PH+](C)C CS-0085100 [2,0,0,0,0,0|2,0,0]=4 248 B3R0.2 C[Zr](C)=O CS-0111413 [2,0,0,0,0,0|1,0,0]=3 249 B3R0.2 O=C(O)O CS-0188062 [2,0,0,0,0,0|1,0,0]=3 250 B5R0.3 C#CC(=O)CC CS-0262502 [1,1,0,0,0,0|0,0,1]=3 251 B5R0.3 CCC(=O)SC CS-0511804 [1,1,0,0,0,0|0,0,0]=2 252 B5R0.3 CCC(C)C#N CS-0648820 [1,1,0,0,0,0|1,0,1]=4 253 B5R0.3 CCC(C)CCl CS-0252571 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.3 CCC(C)CI CS-0152624 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.3 CCC(C)NC CS-0249746 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.3 CCC(C)NN CS-0035425 [1,1,0,0,0,0|1,0,1]=4 257 B5R0.3 CCC(N)CO CS-W013747 [1,1,0,0,0,0|1,0,1]=4 258 B5R0.3 CCC(O)CI CS-0244982 [1,1,0,0,0,0|0,0,2]=4 259 B5R0.3 CCC(O)CO CS-0094102 [1,1,0,0,0,0|0,0,2]=4 260 B5R0.3 CC[C@@H](O)CN CS-0096325 [1,1,0,0,0,0|0,0,2]=4 261 B5R0.3 CC[C@H](C)CBr CS-0821293 [1,1,0,0,0,0|1,0,1]=4 262 B5R0.3 CC[C@H](C)CN CS-0084160 [1,1,0,0,0,0|1,0,1]=4 263 B5R0.3 CC\C(N)=N\O CS-0701769 [1,1,0,0,0,0|1,0,1]=4 264 B5R0.3 CNC(=N)SC CS-0204572 [1,1,0,0,0,0|1,1,0]=4 265 B5R0.3 CNC(=O)CO CS-0205237 [1,1,0,0,0,0|1,0,0]=3 266 B5R0.3 CNC(=O)NN CS-0210256 [1,1,0,0,0,0|2,0,0]=4 267 B5R0.3 CNC(=O)OC CS-0211316 [1,1,0,0,0,0|0,0,0]=2 268 B5R0.3 COC(=S)NN CS-B1194 [1,1,0,0,0,0|1,1,0]=4 269 B5R0.3 COC(C)CN CS-0148787 [1,1,0,0,0,0|1,0,1]=4 270 B5R0.3 NCC(=O)CN CS-0165855 [1,1,0,0,0,0|1,0,0]=3 271 B5R0.3 O=C(CO)CO CS-W021282 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.4 CCC(C)(C)I CS-0238650 [1,1,0,0,0,0|1,0,1]=4 273 B5R0.4 CCS(=O)(=O)F CS-0250998 [1,1,0,0,0,0|2,0,0]=4 274 B5R0.4 CCS(=O)(=O)[O-] CS-0206836 [1,1,0,0,0,0|2,0,0]=4 275 B5R0.4 CCS(=O)([O-])=S CS-0622065 [1,1,0,0,0,0|2,0,0]=4 276 B5R0.4 COP(=O)(Cl)Cl CS-0204775 [1,1,0,0,0,0|2,0,0]=4 277 B5R0.4 CO[Zr](C)(C)C CS-0111418 [1,1,0,0,0,0|2,0,0]=4 278 B5R0.5 CC(=O)C(N)=O CS-0233017 [1,1,0,0,0,0|1,0,1]=4 279 B5R0.5 CC(=S)N(C)C CS-0187562 [1,1,0,0,0,0|1,1,0]=4 280 B5R0.5 CC(C)C(=N)N CS-0183518 [1,1,0,0,0,0|2,0,0]=4 281 B5R0.5 CC(C)C(=O)[O-] CS-0111016 [1,1,0,0,0,0|1,0,0]=3 282 B5R0.5 CC(Cl)C(=N)N CS-0230973 [1,1,0,0,0,0|2,0,0]=4 283 B5R0.5 CC(N)C(N)=O CS-0036447 [1,1,0,0,0,0|1,0,0]=3 284 B5R0.5 CC(N)[PH](=O)O CS-0877877 [1,1,0,0,0,0|2,0,0]=4 285 B5R0.5 CC(O)C(=O)O CS-0945561 [1,1,0,0,0,0|1,0,0]=3 286 B5R0.5 CN(N)C(N)=O CS-0449808 [1,1,0,0,0,0|2,0,0]=4 287 B5R0.5 C[C@@H](O)C(=N)N CS-0215453 [1,1,0,0,0,0|2,0,0]=4 288 B5R0.5 C[C@@H](O)C(=O)[O-] CS-0236856 [1,1,0,0,0,0|1,0,0]=3 289 B5R0.5 NC(=O)C(Cl)Cl CS-0149993 [1,1,0,0,0,0|2,0,0]=4 290 B5R0.5 O=C(O)C(F)Cl CS-0266361 [1,1,0,0,0,0|2,0,0]=4 291 B5R0.2 C=CCCCN CS-0072974 [1,1,0,0,0,0|1,0,1]=4 292 B5R0.2 C=CCNC=O CS-0239380 [1,1,0,0,0,0|1,0,1]=4 293 B5R0.2 C=CCNCC CS-0251036 [1,1,0,0,0,0|1,0,1]=4 294 B5R0.2 CC#CCCO CS-0143647 [1,1,0,0,0,0|1,0,1]=4 295 B5R0.2 CCCCCF CS-0716626 [1,1,0,0,0,0|1,0,1]=4 296 B5R0.2 CCCCCN CS-0214092 [1,1,0,0,0,0|1,0,1]=4 297 B5R0.2 CCNNCC CS-0343044 [1,1,0,0,0,0|1,0,1]=4 298 B5R0.2 CCSCCBr CS-0232073 [1,1,0,0,0,0|0,1,1]=4 299 B5R0.2 CC\C=C/CO CS-0074371 [1,1,0,0,0,0|1,0,0]=3 300 B5R0.2 CC\C=C\CBr CS-0296500 [1,1,0,0,0,0|1,0,0]=3 301 B5R0.2 CNCCOC CS-0250483 [1,1,0,0,0,0|2,0,0]=4 302 B5R0.2 CNOCCN CS-W021370 [1,1,0,0,0,0|1,0,0]=3 303 B5R0.2 COCCCI CS-0236599 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.2 COCCCN CS-0162830 [1,1,0,0,0,0|2,0,0]=4 305 B5R0.2 COCCOC CS-0835969 [1,1,0,0,0,0|2,0,0]=4 306 B5R0.2 CSCCCN CS-0204914 [1,1,0,0,0,0|2,0,0]=4 307 B5R0.2 CSCCCN CS-0516616 [1,1,0,0,0,0|2,0,0]=4 308 B5R0.2 ClCCOCCl CS-W013455 [1,1,0,0,0,0|1,0,1]=4 309 B7R0.2 C=CC(=O)OC(C)C CS-0524531 [0,2,0,0,0,0|0,0,1]=3 310 B7R0.2 C=CC(C)CC(=O)O CS-0243291 [0,2,0,0,0,0|2,0,0]=4 311 B7R0.2 CC(=O)CC(C)C#N CS-0241518 [0,2,0,0,0,0|1,0,0]=3 312 B7R0.2 CC(=O)NC(=O)CBr CS-0242454 [0,2,0,0,0,0|1,0,1]=4 313 B7R0.2 CC(=O)NC(=O)CCl CS-0220116 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.2 CC(C)NC(=O)CN CS-0454851 [0,2,0,0,0,0|1,0,0]=3 315 B7R0.2 CC(CN)CC(=O)O CS-0020588 [0,2,0,0,0,0|2,0,0]=4 316 B7R0.2 CCC(C)NC(N)=O CS-0221509 [0,2,0,0,0,0|2,0,0]=4 317 B7R0.2 CCC(N)CC(=O)O CS-0172209 [0,2,0,0,0,0|2,0,0]=4 318 B7R0.2 CCN(C)CC(C)=O CS-0687773 [0,2,0,0,0,0|1,0,0]=3 319 B7R0.2 CCS(=O)CC(=O)O CS-0237100 [0,2,0,0,0,0|1,1,0]=4 320 B7R0.2 CC[C@@H](N)CC(=O)O CS-0172026 [0,2,0,0,0,0|2,0,0]=4 321 B7R0.2 CC[C@H](N)CC(=O)O CS-0153929 [0,2,0,0,0,0|2,0,0]=4 322 B7R0.2 CC[C@H](N)CC(=O)O CS-0172024 [0,2,0,0,0,0|2,0,0]=4 323 B7R0.2 CNC(=O)CC(C)=O CS-0214968 [0,2,0,0,0,0|1,0,1]=4 324 B7R0.2 CNC(=O)NC(C)=O CS-0317468 [0,2,0,0,0,0|1,0,1]=4 325 B7R0.2 COC(=O)CC(C)N CS-0147335 [0,2,0,0,0,0|1,0,0]=3 326 B7R0.2 COC(=O)CC(C)O CS-0161084 [0,2,0,0,0,0|1,0,0]=3 327 B7R0.2 COC(=O)CN(C)C CS-0201680 [0,2,0,0,0,0|2,0,0]=4 328 B7R0.2 COC(=O)CN(C)C CS-0361918 [0,2,0,0,0,0|2,0,0]=4 329 B7R0.2 COC(=O)CS(C)=O CS-0231490 [0,2,0,0,0,0|2,0,0]=4 330 B7R0.2 COC(C)CC(=O)O CS-0216817 [0,2,0,0,0,0|2,0,0]=4 331 B7R0.2 CSC(C)CC(=O)O CS-0224328 [0,2,0,0,0,0|2,0,0]=4 332 B7R0.2 C\C(CC(C)C)=N/O CS-0504213 [0,2,0,0,0,0|1,0,1]=4 333 B7R0.2 NCC(N)CC(=O)O CS-0260960 [0,2,0,0,0,0|2,0,0]=4 334 B7R0.2 NCC(O)CC(=O)O CS-0013138 [0,2,0,0,0,0|2,0,0]=4 335 B7R0.3 C#CCNC(=O)CBr CS-0308724 [0,2,0,0,0,0|1,0,1]=4 336 B7R0.3 C#CCNC(=O)CC CS-0225175 [0,2,0,0,0,0|1,0,1]=4 337 B7R0.3 C#CCNC(=O)CCl CS-0207443 [0,2,0,0,0,0|1,0,1]=4 338 B7R0.3 C#CCNC(=O)OC CS-0262100 [0,2,0,0,0,0|1,0,1]=4 339 B7R0.3 C#CCOC(=O)CC CS-0464619 [0,2,0,0,0,0|0,0,1]=3 340 B7R0.3 C=C(CCl)OCOC CS-0055666 [0,2,0,0,0,0|1,0,0]=3 341 B7R0.3 C=CC(=O)NCCC CS-0167916 [0,2,0,0,0,0|1,0,1]=4 342 B7R0.3 C=CC(=O)NCCCl CS-0231084 [0,2,0,0,0,0|1,0,1]=4 343 B7R0.3 C=CC(=O)NCOC CS-0168572 [0,2,0,0,0,0|1,0,1]=4 344 B7R0.3 C=CC(=O)OCCC CS-0870996 [0,2,0,0,0,0|0,0,1]=3 345 B7R0.3 C=CC(=O)OCCCl CS-W013365 [0,2,0,0,0,0|0,0,1]=3 346 B7R0.3 C=CCCC(=O)CC CS-0253493 [0,2,0,0,0,0|1,0,1]=4 347 B7R0.3 C=CCCC(=O)NC CS-0666768 [0,2,0,0,0,0|1,0,1]=4 348 B7R0.3 C=CCNC(=O)CCl CS-0309272 [0,2,0,0,0,0|1,0,1]=4 349 B7R0.3 C=CCOC(=O)C=C CS-0167369 [0,2,0,0,0,0|0,0,2]=4 350 B7R0.3 CCC(=O)NCCN CS-0697791 [0,2,0,0,0,0|1,0,0]=3 351 B7R0.3 CCC(=O)NCCO CS-0449194 [0,2,0,0,0,0|1,0,0]=3 352 B7R0.3 CCCNC(=O)CBr CS-0240203 [0,2,0,0,0,0|1,0,0]=3 353 B7R0.3 CCCNC(=O)CN CS-0454285 [0,2,0,0,0,0|1,0,0]=3 354 B7R0.3 CCCOC(=O)CN CS-0727430 [0,2,0,0,0,0|0,0,0]=2 355 B7R0.3 CCNCC(=O)OC CS-0342279 [0,2,0,0,0,0|1,0,0]=3 356 B7R0.3 CCOCC(=O)NN CS-0259344 [0,2,0,0,0,0|1,0,0]=3 357 B7R0.3 CCOCC(=O)OC CS-0260436 [0,2,0,0,0,0|0,0,0]=2 358 B7R0.3 CCOCC(O)CN CS-0128931 [0,2,0,0,0,0|0,0,2]=4 359 B7R0.3 CC\C=C\C(=O)OC CS-0161339 [0,2,0,0,0,0|1,0,0]=3 360 B7R0.3 CC\C=C\C(=O)OC CS-0784965 [0,2,0,0,0,0|1,0,0]=3 361 B7R0.3 CNC(=O)CCCCl CS-0249742 [0,2,0,0,0,0|1,0,0]=3 362 B7R0.3 CNC(=O)CCCN CS-0207685 [0,2,0,0,0,0|1,0,0]=3 363 B7R0.3 CNC(=O)OCCO CS-0075093 [0,2,0,0,0,0|0,0,0]=2 364 B7R0.3 CNCCC(=O)NC CS-0217040 [0,2,0,0,0,0|1,0,0]=3 365 B7R0.3 CNCCC(=O)OC CS-0454555 [0,2,0,0,0,0|1,0,0]=3 366 B7R0.3 COC(=N)CCCCl CS-0309147 [0,2,0,0,0,0|2,0,0]=4 367 B7R0.3 COCCC(=O)NN CS-0318297 [0,2,0,0,0,0|2,0,0]=4 368 B7R0.3 COCO[C@H](C)CO CS-0732322 [0,2,0,0,0,0|0,0,2]=4 369 B7R0.3 C\C=C\CC(=O)OC CS-0185645 [0,2,0,0,0,0|1,0,1]=4 370 B7R0.3 N#CCNC(=O)CCl CS-0244588 [0,2,0,0,0,0|1,0,1]=4 371 B7R0.3 N#CCNC(=O)CN CS-0305866 [0,2,0,0,0,0|1,0,1]=4 372 B7R0.3 NNC(=O)CCCO CS-0206368 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.3 O=C(CCl)NCCCl CS-0715480 [0,2,0,0,0,0|1,0,0]=3 374 B7R0.5 C=C(Br)C(=O)OCC CS-0208831 [0,2,0,0,0,0|0,0,1]=3 375 B7R0.5 CC(C)C(=O)NCO CS-0657430 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.5 CC(C)C(=O)OCBr CS-0535236 [0,2,0,0,0,0|1,0,0]=3 377 B7R0.5 CC(C)C(=O)OCI CS-0163615 [0,2,0,0,0,0|1,0,0]=3 378 B7R0.5 CC(CCN)C(=O)O CS-0308023 [0,2,0,0,0,0|2,0,0]=4 379 B7R0.5 CCCC(Br)C(=O)O CS-0622324 [0,2,0,0,0,0|2,0,0]=4 380 B7R0.5 CCCC(O)C(=O)O CS-0062341 [0,2,0,0,0,0|2,0,0]=4 381 B7R0.5 CCCC(O)C(N)=O CS-0524864 [0,2,0,0,0,0|2,0,0]=4 382 B7R0.5 CCC[C@H](N)C(N)=O CS-0120151 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.5 CCNC(=O)C(=O)O CS-0208820 [0,2,0,0,0,0|1,0,1]=4 384 B7R0.5 CCNC(=O)C(C)Br CS-0666950 [0,2,0,0,0,0|1,0,0]=3 385 B7R0.5 CCNC(=O)C(C)N CS-0245127 [0,2,0,0,0,0|1,0,0]=3 386 B7R0.5 CCOC(=O)C(C)I CS-0187740 [0,2,0,0,0,0|0,0,0]=2 387 B7R0.5 CCOC(=O)C(F)I CS-0365100 [0,2,0,0,0,0|0,0,0]=2 388 B7R0.5 CCOC(=O)N(C)C CS-0112757 [0,2,0,0,0,0|0,0,0]=2 389 B7R0.5 CCOC(=O)N(C)N CS-0671499 [0,2,0,0,0,0|0,0,0]=2 390 B7R0.5 CCOC(=O)[C@@H](C)F CS-0523947 [0,2,0,0,0,0|0,0,0]=2 391 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [0,2,0,0,0,0|0,0,0]=2 392 B7R0.5 CCOC(C)C(=O)O CS-0136065 [0,2,0,0,0,0|0,0,1]=3 393 B7R0.5 CCOC(C)C(N)=S CS-0264100 [0,2,0,0,0,0|0,1,1]=4 394 B7R0.5 CCOC(O)C(F)F CS-0179771 [0,2,0,0,0,0|0,0,2]=4 395 B7R0.5 CN(C)C(=O)CCCl CS-0063172 [0,2,0,0,0,0|2,0,0]=4 396 B7R0.5 CN(C)C(=O)CCN CS-0051534 [0,2,0,0,0,0|2,0,0]=4 397 B7R0.5 CN(C)C(=O)CCN CS-0205808 [0,2,0,0,0,0|2,0,0]=4 398 B7R0.5 CN(C)C(=O)CCO CS-0661881 [0,2,0,0,0,0|2,0,0]=4 399 B7R0.5 CNCC(=O)N(C)C CS-0058618 [0,2,0,0,0,0|2,0,0]=4 400 B7R0.5 CNCC(=O)N(C)C CS-0058620 [0,2,0,0,0,0|2,0,0]=4 401 B7R0.5 CNCC(C)C(=O)O CS-0216874 [0,2,0,0,0,0|2,0,0]=4 402 B7R0.5 COCC(C)C(=O)O CS-0737187 [0,2,0,0,0,0|2,0,0]=4 403 B7R0.5 CO\N=C(/C)C(=O)O CS-0698980 [0,2,0,0,0,0|2,0,0]=4 404 B7R0.5 CSCC(C)C(=O)O CS-0259419 [0,2,0,0,0,0|2,0,0]=4 405 B7R0.5 NCCC(N)C(=O)O CS-0521573 [0,2,0,0,0,0|2,0,0]=4 406 B7R0.5 NCC[C@@H](N)C(=O)O CS-W005155 [0,2,0,0,0,0|2,0,0]=4 407 B7R0.5 NCC[C@H](N)C(=O)O CS-0447015 [0,2,0,0,0,0|2,0,0]=4 408 B7R0.5 N[C@@H](CCBr)C(=O)O CS-W010140 [0,2,0,0,0,0|2,0,0]=4 409 B7R0.5 O=C(O)C(Br)CCBr CS-0340260 [0,2,0,0,0,0|2,0,0]=4 410 B7R0.7 C(I)=CC(=O)OCC CS-W006336 [0,2,0,0,0,0|0,0,1]=3 411 B7R0.7 C=COC(=O)\C=C\C CS-0167852 [0,2,0,0,0,0|0,0,2]=4 412 B7R0.7 CCCC(=O)OCCl CS-0199093 [0,2,0,0,0,0|1,0,0]=3 413 B7R0.7 CCOC(=N)CCCl CS-0681393 [0,2,0,0,0,0|1,0,0]=3 414 B7R0.7 CCOC(=O)\C=C/Br CS-0188289 [0,2,0,0,0,0|0,0,1]=3 415 B7R0.7 CCOC(=S)SCC CS-0238225 [0,2,0,0,0,0|0,1,0]=3 416 B7R0.7 CCOS(=O)OCC CS-0204569 [0,2,0,0,0,0|1,0,0]=3 417 B7R0.10 C=C(CCl)C(=O)OC CS-0208489 [0,2,0,0,0,0|2,0,0]=4 418 B7R0.10 CCC(=O)C(=O)OC CS-W013615 [0,2,0,0,0,0|1,0,0]=3 419 B7R0.10 CCC(=O)C(O)CC CS-W011231 [0,2,0,0,0,0|1,0,0]=3 420 B7R0.10 CCC(=O)N(C)CC CS-0535260 [0,2,0,0,0,0|1,0,0]=3 421 B7R0.10 CCC(Cl)C(=O)OC CS-0250039 [0,2,0,0,0,0|1,0,0]=3 422 B7R0.10 CCC(N)C(=O)NC CS-0966086 [0,2,0,0,0,0|1,0,0]=3 423 B7R0.10 CCN(C)C(=O)CBr CS-0308602 [0,2,0,0,0,0|1,0,0]=3 424 B7R0.10 CCN(C)C(=O)CCl CS-0247887 [0,2,0,0,0,0|1,0,0]=3 425 B7R0.10 CC[C@H](N)C(=O)OC CS-W021182 [0,2,0,0,0,0|1,0,0]=3 426 B7R0.10 CNC(=O)C(=O)NC CS-0204601 [0,2,0,0,0,0|2,0,0]=4 427 B7R0.10 CNC(=O)C(=O)OC CS-0667092 [0,2,0,0,0,0|2,0,0]=4 428 B7R0.10 CNC(=O)C(C)CN CS-0727683 [0,2,0,0,0,0|2,0,0]=4 429 B7R0.10 CNC(C)C(=O)OC CS-0433213 [0,2,0,0,0,0|2,0,0]=4 430 B7R0.10 CN[C@H](C)C(=O)OC CS-0212747 [0,2,0,0,0,0|2,0,0]=4 431 B7R0.10 COC(=O)C(C)CBr CS-0565366 [0,2,0,0,0,0|2,0,0]=4 432 B7R0.10 COC(=O)C(C)OC CS-0207198 [0,2,0,0,0,0|2,0,0]=4 433 B7R0.10 COC(=O)C(C)SC CS-0272270 [0,2,0,0,0,0|2,0,0]=4 434 B7R0.10 COC(=O)C(O)CCl CS-0662697 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.10 COC(=O)N(C)CCl CS-0968514 [0,2,0,0,0,0|2,0,0]=4 436 B7R0.10 COC(=O)N(C)OC CS-W001820 [0,2,0,0,0,0|2,0,0]=4 437 B7R0.10 COC(=O)[C@@H](N)CN CS-0162081 [0,2,0,0,0,0|2,0,0]=4 438 B7R0.10 CON(C)C(=O)CN CS-0292386 [0,2,0,0,0,0|2,0,0]=4 439 B7R0.10 C\C=C(/C)C(=O)OC CS-0257038 [0,2,0,0,0,0|1,0,1]=4 440 B7R0.10 C\C=C(\C)C(=O)OC CS-0207690 [0,2,0,0,0,0|1,0,1]=4 441 B7R0.10 O=C(CO)[C@@H](O)CO CS-0436802 [0,2,0,0,0,0|2,0,0]=4 442 B7R0.11 CCO[Si](C)(C)CCl CS-W014365 [0,2,0,0,0,0|1,1,0]=4 443 B7R0.9 CC(=O)CC(C)(C)N CS-0204783 [0,2,0,0,0,0|1,0,0]=3 444 B7R0.9 CC(=O)N[Si](C)(C)C CS-0187550 [0,2,0,0,0,0|1,1,0]=4 445 B7R0.9 CC(C)(C)CC(N)=O CS-0248453 [0,2,0,0,0,0|2,0,0]=4 446 B7R0.9 CC(C)NS(C)(=O)=O CS-0242244 [0,2,0,0,0,0|2,0,0]=4 447 B7R0.16 CC(=O)C(=O)N(C)C CS-0714075 [0,2,0,0,0,0|2,0,0]=4 448 B7R0.16 CC(C)C(=O)C(=O)[O-] CS-0205398 [0,2,0,0,0,0|2,0,0]=4 449 B7R0.16 CC(C)C(N)C(N)=O CS-0312424 [0,2,0,0,0,0|2,0,0]=4 450 B7R0.16 CC(C)C(S)C(=O)O CS-0222512 [0,2,0,0,0,0|2,0,0]=4 451 B7R0.16 CC(C)[C@H](N)C(=O)O CS-0201920 [0,2,0,0,0,0|2,0,0]=4 452 B7R0.16 CC(O)C(N)C(=O)O CS-0154977 [0,2,0,0,0,0|2,0,0]=4 453 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0201886 [0,2,0,0,0,0|2,0,0]=4 454 B7R0.13 CCC(C)(Br)C(=O)O CS-0257663 [0,2,0,0,0,0|2,0,0]=4 455 B7R0.13 CCC(C)(C)C(N)=O CS-0236614 [0,2,0,0,0,0|2,0,0]=4 456 B7R0.13 CCC(C)(N)C(=O)O CS-0245856 [0,2,0,0,0,0|2,0,0]=4 457 B7R0.13 CCC(C)(N)C(=O)O CS-0311817 [0,2,0,0,0,0|2,0,0]=4 458 B7R0.13 CCC(C)(N)C(N)=O CS-0295504 [0,2,0,0,0,0|2,0,0]=4 459 B7R0.13 CCC(F)(F)C(=O)O CS-0068725 [0,2,0,0,0,0|2,0,0]=4 460 B7R0.13 CC[C@](C)(N)C(=O)O CS-0206584 [0,2,0,0,0,0|2,0,0]=4 461 B7R0.15 CCC(NC)C(=O)O CS-0251353 [0,2,0,0,0,0|2,0,0]=4 462 B7R0.15 CCC(NC)C(N)=O CS-0324764 [0,2,0,0,0,0|2,0,0]=4 463 B7R0.15 CCC(SC)C(=O)O CS-0223304 [0,2,0,0,0,0|2,0,0]=4 464 B7R0.15 CC[C@H](NC)C(N)=O CS-0961781 [0,2,0,0,0,0|2,0,0]=4 465 B7R0.4 C#CCCCC(N)=O CS-0759267 [0,2,0,0,0,0|2,0,0]=4 466 B7R0.4 C#CCCOC(C)=O CS-0242576 [0,2,0,0,0,0|0,0,0]=2 467 B7R0.4 C=CCCOC(C)=O CS-0206024 [0,2,0,0,0,0|0,0,0]=2 468 B7R0.4 CC(=O)CCCC#N CS-0446855 [0,2,0,0,0,0|1,0,0]=3 469 B7R0.4 CC(=O)NCCCCl CS-0223153 [0,2,0,0,0,0|1,0,0]=3 470 B7R0.4 CC(=O)NCCCN CS-0200175 [0,2,0,0,0,0|1,0,0]=3 471 B7R0.4 CC(=O)NCCCN CS-0208169 [0,2,0,0,0,0|1,0,0]=3 472 B7R0.4 CC(=O)NCCCO CS-0037159 [0,2,0,0,0,0|1,0,0]=3 473 B7R0.4 CC(=O)OCCCBr CS-0130245 [0,2,0,0,0,0|0,0,0]=2 474 B7R0.4 CC(=O)SCCCCl CS-0232562 [0,2,0,0,0,0|0,1,0]=3 475 B7R0.4 CC(=O)SCCCO CS-0570855 [0,2,0,0,0,0|0,1,0]=3 476 B7R0.4 CC(C)COCCN CS-0249793 [0,2,0,0,0,0|1,0,1]=4 477 B7R0.4 CC(C)OCCC#N CS-0223307 [0,2,0,0,0,0|1,0,1]=4 478 B7R0.4 CC(C)OCCCCl CS-0258066 [0,2,0,0,0,0|1,0,1]=4 479 B7R0.4 CCCCOC(N)=O CS-0152093 [0,2,0,0,0,0|1,0,0]=3 480 B7R0.4 CCOCCC(=O)O CS-0216898 [0,2,0,0,0,0|1,0,0]=3 481 B7R0.4 CCSCCC(=O)O CS-0249654 [0,2,0,0,0,0|1,1,0]=4 482 B7R0.4 CNCCNC(C)=O CS-0234928 [0,2,0,0,0,0|1,0,0]=3 483 B7R0.4 COCCNC(N)=O CS-0213036 [0,2,0,0,0,0|2,0,0]=4 484 B7R0.4 COC\C=C\C(=O)O CS-0782179 [0,2,0,0,0,0|2,0,0]=4 485 B7R0.4 CS(=O)CCCC#N CS-0240265 [0,2,0,0,0,0|2,0,0]=4 486 B7R0.4 CSCCCC(=O)O CS-0261815 [0,2,0,0,0,0|2,0,0]=4 487 B7R0.4 CSCCCC(C)=O CS-0459306 [0,2,0,0,0,0|1,0,0]=3 488 B7R0.4 CSCCNC(N)=O CS-0244833 [0,2,0,0,0,0|2,0,0]=4 489 B7R0.4 NC(=O)CCCCO CS-0236568 [0,2,0,0,0,0|2,0,0]=4 490 B7R0.4 NC(=O)CSCCO CS-0328374 [0,2,0,0,0,0|1,1,0]=4 491 B7R0.4 NC(=O)NCCCO CS-0261419 [0,2,0,0,0,0|2,0,0]=4 492 B7R0.4 NCCCCC(=O)O CS-0214159 [0,2,0,0,0,0|2,0,0]=4 493 B7R0.4 NCCCCC(N)=O CS-0112084 [0,2,0,0,0,0|2,0,0]=4 494 B7R0.4 NCCOCC(=O)O CS-0162340 [0,2,0,0,0,0|1,0,0]=3 495 B7R0.6 C=C(C)COC(C)=O CS-0187450 [0,2,0,0,0,0|0,0,0]=2 496 B7R0.6 CC(=O)CCC(=O)[O-] CS-0187336 [0,2,0,0,0,0|1,0,1]=4 497 B7R0.6 CC(=O)CCC(=O)[O-] CS-0526568 [0,2,0,0,0,0|1,0,1]=4 498 B7R0.6 CC(=O)NCC(N)=O CS-0333417 [0,2,0,0,0,0|1,0,1]=4 499 B7R0.6 CC(=O)NN=C(C)C CS-M2558 [0,2,0,0,0,0|1,0,1]=4 500 B7R0.6 CC(=O)NNC(C)C CS-M2559 [0,2,0,0,0,0|1,0,0]=3 501 B7R0.6 CC(=O)ON=C(C)C CS-0548323 [0,2,0,0,0,0|0,0,1]=3 502 B7R0.6 CC(C)C#CC(=O)O CS-0240271 [0,2,0,0,0,0|2,0,0]=4 503 B7R0.6 CC(C)NCC(=O)O CS-0246606 [0,2,0,0,0,0|2,0,0]=4 504 B7R0.6 CC(N)CCC(=O)O CS-0262263 [0,2,0,0,0,0|2,0,0]=4 505 B7R0.6 CC(O)COC(C)C CS-0504752 [0,2,0,0,0,0|0,0,2]=4 506 B7R0.6 CN(C)CCC(=O)O CS-0098123 [0,2,0,0,0,0|2,0,0]=4 507 B7R0.6 CN(C)CCC(N)=O CS-0231943 [0,2,0,0,0,0|2,0,0]=4 508 B7R0.6 C[C@H](N)CCC(=O)O CS-0526945 [0,2,0,0,0,0|2,0,0]=4 509 B7R0.6 C[S+](C)CCC(=O)[O-] CS-0449826 [0,2,0,0,0,0|2,0,0]=4 510 B7R0.8 CC(C)(C)OCCN CS-0210614 [0,2,0,0,0,0|1,0,1]=4 511 B7R0.8 CCCOS(=O)(=O)[O-] CS-0683180 [0,2,0,0,0,0|2,0,0]=4 512 B7R0.8 CNCCS(C)(=O)=O CS-0199514 [0,2,0,0,0,0|2,0,0]=4 513 B7R0.8 CS(=O)(=O)CCCCl CS-0217132 [0,2,0,0,0,0|2,0,0]=4 514 B7R0.8 CS(=O)(=O)NCCO CS-0256790 [0,2,0,0,0,0|2,0,0]=4 515 B7R0.8 CS(=O)(=O)OCCCl CS-W013279 [0,2,0,0,0,0|1,0,0]=3 516 B7R0.8 O=P(Cl)(Cl)OCCCl CS-0334060 [0,2,0,0,0,0|2,0,0]=4 517 B5R1.2 IC1CCC1 CS-0131037 [1,0,0,1,0,0|1,0,1]=4 518 B5R1.1 C1CCCC1 CS-0069724 [1,0,0,1,0,0|1,0,1]=4 519 B5R1.1 C1CCNC1 CS-0468677 [1,0,0,1,0,0|1,0,1]=4 520 B5R1.1 C1CCOC1 CS-0085484 [1,0,0,1,0,0|0,0,1]=3 521 B5R1.1 C1COCN1 CS-0214988 [1,0,0,1,0,0|1,0,1]=4 522 B7R1.1 BrCC1CCCO1 CS-0052243 [0,1,0,1,0,0|1,0,1]=4 523 B7R1.1 C#C[C@@H]1CCCO1 CS-0777989 [0,1,0,1,0,0|1,0,1]=4 524 B7R1.1 CCC1=NCCN1 CS-0206605 [0,1,0,1,0,0|2,0,0]=4 525 B7R1.1 CCC1=NCCO1 CS-W009554 [0,1,0,1,0,0|1,0,0]=3 526 B7R1.1 CNC1=NCCS1 CS-0250614 [0,1,0,1,0,0|1,1,0]=4 527 B7R1.1 CSC1=NCCN1 CS-0150090 [0,1,0,1,0,0|2,0,0]=4 528 B7R1.1 CSC1=NCCS1 CS-W013388 [0,1,0,1,0,0|1,1,0]=4 529 B7R1.1 ICC1CCCO1 CS-0225833 [0,1,0,1,0,0|1,0,1]=4 530 B7R1.1 N#CC1=CCCC1 CS-0089734 [0,1,0,1,0,0|2,0,0]=4 531 B7R1.1 NCC1OCCO1 CS-D0489 [0,1,0,1,0,0|0,0,2]=4 532 B7R1.1 NC[C@H]1CCCO1 CS-0469844 [0,1,0,1,0,0|1,0,1]=4 533 B7R1.1 O=CC1=CCSC1 CS-0224038 [0,1,0,1,0,0|2,0,0]=4 534 B7R1.2 CC1=CC(=O)CO1 CS-0092875 [0,1,0,1,0,0|0,0,2]=4 535 B7R1.2 CC1=CC(=O)OC1 CS-0205200 [0,1,0,1,0,0|0,0,1]=3 536 B7R1.2 CC1=NC(=O)ON1 CS-0453264 [0,1,0,1,0,0|1,0,1]=4 537 B7R1.2 CC1=NN=C(C)O1 CS-W006707 [0,1,0,1,0,0|1,0,1]=4 538 B7R1.2 CC1CC(=O)NN1 CS-0242958 [0,1,0,1,0,0|1,0,0]=3 539 B7R1.2 CC1CCC(=O)N1 CS-0046659 [0,1,0,1,0,0|1,0,0]=3 540 B7R1.2 CC1CCC(C)O1 CS-0204690 [0,1,0,1,0,0|1,0,1]=4 541 B7R1.2 CC1CNC(=O)N1 CS-0040666 [0,1,0,1,0,0|1,0,0]=3 542 B7R1.2 CC1CNC(=O)O1 CS-0308136 [0,1,0,1,0,0|0,0,0]=2 543 B7R1.2 CC1CNC(=S)N1 CS-0090570 [0,1,0,1,0,0|1,1,0]=4 544 B7R1.2 CC1COS(=O)O1 CS-W013556 [0,1,0,1,0,0|1,0,0]=3 545 B7R1.2 CN1CCC(=O)C1 CS-0043579 [0,1,0,1,0,0|1,0,0]=3 546 B7R1.2 C[C@@H]1CCC(=O)O1 CS-0063958 [0,1,0,1,0,0|0,0,0]=2 547 B7R1.2 NC1CNC(=O)C1 CS-0051034 [0,1,0,1,0,0|1,0,0]=3 548 B7R1.2 O=C1C=C(Br)CO1 CS-0037435 [0,1,0,1,0,0|0,0,2]=4 549 B7R1.2 O=C1CC(O)=CO1 CS-0875094 [0,1,0,1,0,0|0,0,2]=4 550 B7R1.2 O=C1CC(O)CO1 CS-W013700 [0,1,0,1,0,0|0,0,0]=2 551 B7R1.3 BrC1=CCSCC1 CS-0693505 [0,1,0,1,0,0|2,0,0]=4 552 B7R1.3 C=C1CCOCC1 CS-W004277 [0,1,0,1,0,0|2,0,0]=4 553 B7R1.3 CB1OCCCO1 CS-0698995 [0,1,0,1,0,0|1,0,1]=4 554 B7R1.3 N=C1NCCCS1 CS-0072965 [0,1,0,1,0,0|1,1,0]=4 555 B7R1.3 NC1=NCCCC1 CS-0021164 [0,1,0,1,0,0|2,0,0]=4 556 B7R1.3 NC1=NCCCN1 CS-0072997 [0,1,0,1,0,0|2,0,0]=4 557 B7R1.3 O=C1C=CCOC1 CS-0051593 [0,1,0,1,0,0|0,0,2]=4 558 B7R1.3 O=C1CNCCN1 CS-0183828 [0,1,0,1,0,0|1,0,0]=3 559 B7R1.3 O=S1CCOCC1 CS-0686002 [0,1,0,1,0,0|2,0,0]=4 560 B7R1.3 O[C@@H]1CCCOC1 CS-0053086 [0,1,0,1,0,0|0,0,2]=4 561 B7R1.3 S=C1CCCCN1 CS-0265032 [0,1,0,1,0,0|1,1,0]=4 562 B7R1.3 S=C1NCCCS1 CS-0231397 [0,1,0,1,0,0|0,2,0]=4 563 B7R1.4 CC1=CCOC1=O CS-0204540 [0,1,0,1,0,0|0,0,1]=3 564 B7R1.4 CN1CCSC1=N CS-0239611 [0,1,0,1,0,0|1,1,0]=4 565 B7R1.4 CN1CCSC1=S CS-0449032 [0,1,0,1,0,0|0,2,0]=4 566 B7R1.4 NC1CCNC1=O CS-0067776 [0,1,0,1,0,0|1,0,0]=3 567 B7R1.4 N[C@@H]1CCNC1=O CS-0109572 [0,1,0,1,0,0|1,0,0]=3 568 B7R1.4 N[C@H]1CCNC1=O CS-0054164 [0,1,0,1,0,0|1,0,0]=3 569 B7R1.4 O=C1CCC=C1Br CS-0030114 [0,1,0,1,0,0|1,0,1]=4 570 B7R1.4 O=C1CCC=C1I CS-0208620 [0,1,0,1,0,0|1,0,1]=4 571 B7R1.4 O=C1CCCC1=O CS-0072875 [0,1,0,1,0,0|1,0,0]=3 572 B7R1.6 CCOC1CNC1 CS-0005432 [0,1,0,1,0,0|1,0,1]=4 573 B7R1.6 CCOC1CNC1 CS-0341275 [0,1,0,1,0,0|1,0,1]=4 574 B7R1.8 O=C1CCC1CO CS-0045469 [0,1,0,1,0,0|2,0,0]=4 575 B7R1.22 CCC(=O)C1CC1 CS-0052572 [0,1,0,1,0,0|1,0,0]=3 576 B7R1.22 CNC(=O)C1CC1 CS-0106601 [0,1,0,1,0,0|1,0,0]=3 577 B7R1.22 COC(=O)C1CN1 CS-W016648 [0,1,0,1,0,0|2,0,0]=4 578 B7R1.27 CC1OC1(C)C#N CS-0233643 [0,1,0,1,0,0|1,0,1]=4 579 B7R1.16 CC1(C)CC(=O)N1 CS-0046669 [0,1,0,1,0,0|1,0,0]=3 580 B7R1.20 CC(=O)CC1CC1 CS-0342620 [0,1,0,1,0,0|1,0,0]=3 581 B7R1.20 NC(=O)CC1CC1 CS-0055986 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.18 CC(=O)C1COC1 CS-0056978 [0,1,0,1,0,0|1,0,0]=3 583 B7R1.18 NC(=O)C1CNC1 CS-0053755 [0,1,0,1,0,0|2,0,0]=4 584 B7R1.18 NC(=O)C1CNC1 CS-0247363 [0,1,0,1,0,0|2,0,0]=4 585 B7R1.18 NC(=O)C1CNC1 CS-W000790 [0,1,0,1,0,0|2,0,0]=4 586 B7R1.18 [C@H]1(C(=O)O)CCN1 CS-0044037 [0,1,0,1,0,0|2,0,0]=4 587 B7R1.19 CC1(C(N)=O)CC1 CS-W021360 [0,1,0,1,0,0|2,0,0]=4 588 B7R1.19 NC(=O)C1(F)CC1 CS-0610597 [0,1,0,1,0,0|2,0,0]=4 589 B7R1.19 NC(=O)C1(N)CC1 CS-0052639 [0,1,0,1,0,0|2,0,0]=4 590 B7R1.23 CC1(C)OC1CO CS-0784298 [0,1,0,1,0,0|1,0,1]=4 591 B7R1.7 NCCOC1CC1 CS-0656225 [0,1,0,1,0,0|1,0,1]=4 592 B7R1.14 CC1(N)CCOC1 CS-0051244 [0,1,0,1,0,0|1,0,1]=4 593 B7R1.14 N=S1(=O)CCCC1 CS-0047312 [0,1,0,1,0,0|2,0,0]=4