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|2,0,2]=4 3 B5R0.1 CC#CC(C)O CS-0264164 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.1 CC(=O)\C=N/O CS-W013750 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC(=O)\C=N\O CS-0047592 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CC(Br)CCBr CS-0186296 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CC(Br)CCO CS-0902584 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CC(C)CCN CS-0214104 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CC(Cl)CCCl CS-0442069 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CC(O)CCN CS-0113030 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CC(O)CCN CS-0113103 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CC(O)CON CS-0154035 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 CCCC(=O)[O-] CS-0188375 [0,0,0,0,0,0|0,0,1]=1 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|1,0,1]=2 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|2,1,0]=3 18 B5R0.1 CCOC(C)Cl CS-0233243 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 CCOC(N)=S CS-0265370 [0,0,0,0,0,0|2,1,0]=3 20 B5R0.1 CCSC(=N)N CS-0093925 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.1 CC\N=C(\C)O CS-W011352 [0,0,0,0,0,0|2,0,0]=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|3,0,0]=3 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|2,0,0]=2 29 B5R0.1 CONC(C)=O CS-0235532 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.1 CS(=O)CCN CS-0217217 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.1 CSCC(C)=O CS-0206376 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.1 C\C=C\C(C)O CS-0187943 [0,0,0,0,0,0|1,0,3]=4 33 B5R0.1 C\C=C\C(N)=O CS-0336304 [0,0,0,0,0,0|1,0,2]=3 34 B5R0.1 NCCC(=O)[O-] CS-0771386 [0,0,0,0,0,0|1,0,1]=2 35 B5R0.1 NNCC(=O)O CS-0697279 [0,0,0,0,0,0|2,0,0]=2 36 B5R0.1 O=C(O)\C=C/Br CS-0696116 [0,0,0,0,0,0|1,0,2]=3 37 B5R0.1 O=C(O)\C=C\Cl CS-0204258 [0,0,0,0,0,0|1,0,2]=3 38 B4R0.1 C=C(Br)CI CS-0249107 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 C=C(Cl)CO CS-0204551 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 C=C(I)CO CS-0523656 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 C=CC(=O)O CS-0167345 [1,0,0,0,0,0|0,0,2]=3 42 B4R0.1 C=CC(=O)[O-] CS-0167349 [1,0,0,0,0,0|0,0,3]=4 43 B4R0.1 CC(=O)CN CS-0697654 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CC(=O)O[Cs] CS-0085593 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 CC(O)CS CS-0265005 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 CCC(=N)N CS-0152666 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 CC[PH](C)=O CS-0637552 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 CNC(=N)N CS-0205049 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 COC(C)=N CS-0134497 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 CSC(=N)N CS-0179522 [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 CSC(C)=O CS-0154991 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 C[C@H](O)CCl CS-0158252 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 C\C=C(/C)Br CS-0613808 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 C\C=C(\C)Br CS-0444617 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 NC(=O)CS CS-0094728 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 NCC(N)=O CS-0685233 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 O=C(O)CO CS-0205290 [1,0,0,0,0,0|1,0,0]=2 58 B4R0.1 O=C(O)[Ba]O CS-0783548 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 O=C([O-])CO CS-0110893 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.1 O=S(O)CF CS-0779635 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.1 O=S(O)CO CS-0699021 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.2 C(Cl)=CCCl CS-W011274 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.2 C=CCCN CS-0227046 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.2 C=CCNN CS-0038154 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.2 CCCCN CS-0214095 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.2 CCCC[O-] CS-0870886 [1,0,0,0,0,0|0,0,2]=3 67 B4R0.2 CCCON CS-0106185 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.2 CCNCC CS-0621902 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.2 CCNOC CS-0160235 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.2 CCSSC CS-0343199 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.2 CC\C=N\O CS-0239378 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.2 CNCC#N CS-0364804 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 CNCC#N CS-0622296 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 CNCCF CS-0103514 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 CNCCN CS-W003799 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 COCCN CS-0115625 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.2 COCCN CS-0214155 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 CSCCBr CS-0208163 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 CSCCN CS-W016668 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.2 NCCCO CS-0375891 [1,0,0,0,0,0|1,0,1]=3 81 B4R0.2 [Li]OOC=O CS-0376129 [1,0,0,0,0,0|3,0,0]=4 82 B6R0.1 C(C)=CC(=O)CC CS-W013723 [0,1,0,0,0,0|1,0,2]=4 83 B6R0.1 C=CC(O)CCC CS-0188333 [0,1,0,0,0,0|1,0,1]=3 84 B6R0.1 CC(CO)CCCl CS-0858617 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.1 CCC(O)COC CS-0199441 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.1 CCCC(=O)CCl CS-0252325 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.1 CCCC(=O)NO CS-0179704 [0,1,0,0,0,0|0,0,0]=1 88 B6R0.1 CCCC(C)C#N CS-0251151 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.1 CCCC(N)CO CS-0089892 [0,1,0,0,0,0|1,0,1]=3 90 B6R0.1 CCCC(O)C#N CS-0230777 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.1 CCC[C@@H](N)CO CS-0088083 [0,1,0,0,0,0|1,0,1]=3 92 B6R0.1 CCC[C@@H](N)CO CS-1181369 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.1 CCNC(=O)CC CS-0205055 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.1 CCNC(=O)CCl CS-0037573 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.1 CCNC(=O)CI CS-0258404 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.1 CCNC(=O)CN CS-0464992 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.1 CCNC(=O)CO CS-0239967 [0,1,0,0,0,0|1,0,0]=2 98 B6R0.1 CCNC(=S)NN CS-0187585 [0,1,0,0,0,0|2,1,0]=4 99 B6R0.1 CCNC(C)CO CS-0298610 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.1 CCOC(=N)CC CS-0047019 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.1 CCOC(=N)CCl CS-0208478 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.1 CCOC(=O)NO CS-0235105 [0,1,0,0,0,0|1,0,0]=2 103 B6R0.1 CCS(=O)CCCl CS-0697603 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.1 CCSC(=O)CC CS-0313626 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.1 CN(C=O)CCO CS-0315134 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.1 CNC(=O)CCN CS-0665982 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.1 CNC(=O)COC CS-0243458 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.1 CNCC(=O)NC CS-0039124 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.1 CNCC(=O)NC CS-0213249 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.1 CNCC(C)OC CS-0239344 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.1 COC(=O)\C=C/Br CS-0668651 [0,1,0,0,0,0|1,0,2]=4 112 B6R0.1 COC(=O)\C=C\Br CS-0694059 [0,1,0,0,0,0|1,0,2]=4 113 B6R0.1 COC(C)CCN CS-0074740 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.1 COCC(C)CO CS-0144671 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.1 COCC(O)CO CS-W011295 [0,1,0,0,0,0|1,0,2]=4 116 B6R0.1 CONC(=O)OC CS-0160296 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.1 CSCC(=N)NO CS-0212758 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.1 CSCC(=O)NN CS-0224650 [0,1,0,0,0,0|2,0,0]=3 119 B6R0.1 C[C@@H](CO)CCN CS-0205665 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.1 C\N=C(/O)CCN CS-W007299 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.1 N#CC\C(N)=N\O CS-0215044 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.1 OC(CCl)CCCl CS-0314175 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.1 OCC[C@@H](O)CO CS-0069613 [0,1,0,0,0,0|1,0,2]=4 124 B6R0.2 CC(=O)NC(C)=O CS-0188389 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.2 CC(=O)NC(N)=O CS-W013697 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.2 CC(=O)SC(C)=O CS-0622069 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.2 CC(=O)[CH-]C(C)=O CS-0871014 [0,1,0,0,0,0|1,0,2]=4 128 B6R0.2 CC(=O)\C=C(\C)N CS-0369638 [0,1,0,0,0,0|1,0,2]=4 129 B6R0.2 CC(Br)CC(C)Br CS-0621868 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.2 CC(C)=CC(C)O CS-0006593 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.2 CC(C)CC(=N)N CS-0122240 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.2 CC(C)CC(C)Br CS-0273922 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.2 CC(C)C[C@@H](C)O CS-0273778 [0,1,0,0,0,0|1,0,1]=3 134 B6R0.2 CC(C)SC(=N)N CS-0651375 [0,1,0,0,0,0|3,0,0]=4 135 B6R0.2 CC(Cl)CC(=O)O CS-0206565 [0,1,0,0,0,0|0,0,0]=1 136 B6R0.2 CC(O)CN(C)C CS-0504044 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.2 CN(C)CC(N)=O CS-0159757 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.2 CN(C)CC(N)=S CS-0356397 [0,1,0,0,0,0|2,1,0]=4 139 B6R0.2 CN(C)NC(N)=O CS-0450115 [0,1,0,0,0,0|3,0,0]=4 140 B6R0.2 C[S+](C)CC(=O)O CS-0204683 [0,1,0,0,0,0|1,0,0]=2 141 B6R0.2 C[S+](C)CC(=O)[O-] CS-0674576 [0,1,0,0,0,0|1,0,1]=3 142 B6R0.2 C\C(Cl)=C\C(=O)O CS-0245046 [0,1,0,0,0,0|0,0,2]=3 143 B6R0.2 NC(=O)CC(N)=S CS-0071222 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.2 NC(=O)C[N+](=O)[O-] CS-0213050 [0,1,0,0,0,0|3,0,0]=4 145 B6R0.2 O=C(O)C=C(Cl)Cl CS-0215142 [0,1,0,0,0,0|1,0,2]=4 146 B6R0.2 O=C(O)[SnH2]C(=O)O CS-0158498 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.2 O=C([O-])CC(=O)[O-] CS-0328770 [0,1,0,0,0,0|1,0,2]=4 148 B6R0.3 C=C(CO)C(=O)O CS-0234763 [0,1,0,0,0,0|1,0,1]=3 149 B6R0.3 CC(=O)C(C)C#N CS-0171662 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.3 CC(CN)C(=O)O CS-0154043 [0,1,0,0,0,0|1,0,0]=2 151 B6R0.3 CC(CO)N(=O)=O CS-0204482 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.3 CC(CS)C(=O)O CS-0141858 [0,1,0,0,0,0|1,0,0]=2 153 B6R0.3 CCC(C)C(C)Br CS-0242604 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.3 CCC(Cl)C(=O)O CS-0283480 [0,1,0,0,0,0|0,0,0]=1 155 B6R0.3 CCC(N)C(C)C CS-0251418 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.3 CCC(O)C(C)O CS-0243433 [0,1,0,0,0,0|1,0,1]=3 157 B6R0.3 CC[C@@H](C)C(N)=O CS-0604251 [0,1,0,0,0,0|1,0,0]=2 158 B6R0.3 CC[C@@H](Cl)C(=O)O CS-0198794 [0,1,0,0,0,0|0,0,0]=1 159 B6R0.3 CC[C@H](O)C(=O)O CS-1022965 [0,1,0,0,0,0|0,0,0]=1 160 B6R0.3 CC[C@H](S)C(=O)O CS-0442983 [0,1,0,0,0,0|0,0,0]=1 161 B6R0.3 CNC(C)C(=O)O CS-0662516 [0,1,0,0,0,0|1,0,0]=2 162 B6R0.3 CN[C@@H](C)C(N)=O CS-0224966 [0,1,0,0,0,0|2,0,0]=3 163 B6R0.3 CN[C@@H](C)C(N)=O CS-0966766 [0,1,0,0,0,0|2,0,0]=3 164 B6R0.3 CN[C@H](C)C(=O)O CS-0687682 [0,1,0,0,0,0|1,0,0]=2 165 B6R0.3 CN[C@H](C)C(N)=O CS-0225838 [0,1,0,0,0,0|2,0,0]=3 166 B6R0.3 COC(C)C(C)O CS-0667009 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.3 CSC(C)C(=O)O CS-0668009 [0,1,0,0,0,0|1,0,0]=2 168 B6R0.3 C[C@@H](O)[C@@H](N)CO CS-0091338 [0,1,0,0,0,0|2,0,1]=4 169 B6R0.3 C\C=C(/Br)C(=O)O CS-0667066 [0,1,0,0,0,0|0,0,2]=3 170 B6R0.3 C\C=C(/C)C(C)=O CS-0504210 [0,1,0,0,0,0|1,0,2]=4 171 B6R0.3 C\C=C(/O)C(=O)O CS-0514888 [0,1,0,0,0,0|0,0,2]=3 172 B6R0.3 NC(=O)C(Cl)CCl CS-0315076 [0,1,0,0,0,0|2,0,0]=3 173 B6R0.3 NC(=O)[C@@H](N)CO CS-0091329 [0,1,0,0,0,0|2,0,0]=3 174 B6R0.3 NC(CCl)C(=O)O CS-W016172 [0,1,0,0,0,0|1,0,0]=2 175 B6R0.3 N[C@@H](CCl)C(=O)O CS-0133369 [0,1,0,0,0,0|1,0,0]=2 176 B6R0.3 O=C(O)C(=O)CBr CS-0518643 [0,1,0,0,0,0|1,0,1]=3 177 B6R0.3 O=C(O)[C@H](O)CO CS-0179318 [0,1,0,0,0,0|1,0,0]=2 178 B6R0.3 O=C([O-])C(=O)CF CS-0450027 [0,1,0,0,0,0|1,0,2]=4 179 B6R0.3 [Li]OC(=O)C(=O)O CS-0620347 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.4 C=C(C)CNCC CS-0119901 [0,1,0,0,0,0|2,0,0]=3 181 B6R0.4 C=CCCB(O)O CS-0175018 [0,1,0,0,0,0|1,0,2]=4 182 B6R0.4 C=CCC[C@@H](C)O CS-0179239 [0,1,0,0,0,0|1,0,2]=4 183 B6R0.4 C=CCC[C@H](C)O CS-0246373 [0,1,0,0,0,0|1,0,2]=4 184 B6R0.4 C=C\C=C\C(=O)O CS-0199455 [0,1,0,0,0,0|0,0,3]=4 185 B6R0.4 CC(=O)CCCBr CS-0103669 [0,1,0,0,0,0|1,0,0]=2 186 B6R0.4 CC(=O)CSC#N CS-0239749 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.4 CC(=O)NCC#N CS-0514945 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.4 CC(=O)NCCN CS-W013694 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.4 CC(=O)OCC#N CS-0248523 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.4 CC(=O)SCCN CS-0256575 [0,1,0,0,0,0|2,0,0]=3 191 B6R0.4 CC(=O)SCCN CS-0680538 [0,1,0,0,0,0|2,0,0]=3 192 B6R0.4 CC(C)CCCI CS-0570782 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.4 CC(O)CCCCl CS-0210356 [0,1,0,0,0,0|1,0,1]=3 194 B6R0.4 CCC#CC(C)O CS-W013721 [0,1,0,0,0,0|1,0,2]=4 195 B6R0.4 CCCCC(=O)Br CS-0185634 [0,1,0,0,0,0|1,0,0]=2 196 B6R0.4 CCCCC(C)Br CS-0206476 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.4 CCCCC(C)Cl CS-0102663 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.4 CCCCC(N)=O CS-0206049 [0,1,0,0,0,0|1,0,0]=2 199 B6R0.4 CCCNC(=N)N CS-0230450 [0,1,0,0,0,0|2,0,0]=3 200 B6R0.4 CCCNC(N)=O CS-0207277 [0,1,0,0,0,0|1,0,0]=2 201 B6R0.4 CCCNC(N)=S CS-0128708 [0,1,0,0,0,0|1,1,0]=3 202 B6R0.4 CCNCC(=O)O CS-0250575 [0,1,0,0,0,0|0,0,0]=1 203 B6R0.4 CCNCC(C)O CS-0622152 [0,1,0,0,0,0|1,0,1]=3 204 B6R0.4 CCNC[C@H](C)O CS-0670719 [0,1,0,0,0,0|1,0,1]=3 205 B6R0.4 CCOCC(=N)N CS-0299543 [0,1,0,0,0,0|2,0,0]=3 206 B6R0.4 CCOCC(C)N CS-0688785 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.4 CCONC(C)=O CS-0017501 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.4 CC\C=C\B(O)O CS-0179254 [0,1,0,0,0,0|1,0,2]=4 209 B6R0.4 CC\C=C\C(C)=O CS-0782888 [0,1,0,0,0,0|1,0,1]=3 210 B6R0.4 CNCCC(C)C CS-W018343 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.4 COCCC(=N)N CS-0046979 [0,1,0,0,0,0|2,0,0]=3 212 B6R0.4 COCCC(=N)N CS-0261114 [0,1,0,0,0,0|2,0,0]=3 213 B6R0.4 COCCC(N)=O CS-0251977 [0,1,0,0,0,0|1,0,0]=2 214 B6R0.4 COCCC(N)=S CS-0355835 [0,1,0,0,0,0|1,1,0]=3 215 B6R0.4 COCCS(=O)O CS-0902763 [0,1,0,0,0,0|1,0,0]=2 216 B6R0.4 CO\N=C\C(=O)O CS-0232698 [0,1,0,0,0,0|1,0,1]=3 217 B6R0.4 CSCCC(=N)N CS-0259328 [0,1,0,0,0,0|2,0,0]=3 218 B6R0.4 CSCCC(C)N CS-0262000 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.4 CSCOC(C)=O CS-0316444 [0,1,0,0,0,0|2,0,0]=3 220 B6R0.4 C\C(O)=N\CCCl CS-W011197 [0,1,0,0,0,0|2,0,0]=3 221 B6R0.4 C\C=N\NC(N)=O CS-0465922 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.4 FC(F)=CCCBr CS-0206787 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.4 N#CCNC(N)=O CS-0454053 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.4 N=C(N)NCCO CS-0261897 [0,1,0,0,0,0|3,0,0]=4 225 B6R0.4 N=C(N)SCCO CS-0243233 [0,1,0,0,0,0|3,0,0]=4 226 B6R0.4 NC(=O)CCCCl CS-0660671 [0,1,0,0,0,0|1,0,0]=2 227 B6R0.4 NC(=O)CCCO CS-0678691 [0,1,0,0,0,0|1,0,0]=2 228 B6R0.4 NC(=O)OCCO CS-0218046 [0,1,0,0,0,0|2,0,0]=3 229 B6R0.4 NCCCC(=O)O CS-0259736 [0,1,0,0,0,0|0,0,0]=1 230 B6R0.4 NCCNC(N)=O CS-0806746 [0,1,0,0,0,0|2,0,0]=3 231 B6R0.4 NCCOC(N)=O CS-0231941 [0,1,0,0,0,0|2,0,0]=3 232 B6R0.4 O=C(O)CCCI CS-0045052 [0,1,0,0,0,0|0,0,0]=1 233 B6R0.5 CC(C)(O)CCO CS-W016637 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.5 CCCC(C)(C)N CS-0252557 [0,1,0,0,0,0|2,0,1]=4 235 B6R0.5 CCCS(=O)(=O)F CS-0251198 [0,1,0,0,0,0|1,0,1]=3 236 B6R0.5 CCCS(=O)(=O)O CS-0204485 [0,1,0,0,0,0|1,0,0]=2 237 B6R0.5 O=P(O)(O)CCBr CS-W021061 [0,1,0,0,0,0|2,0,0]=3 238 B6R0.5 O=S(=O)(F)CCCl CS-0212429 [0,1,0,0,0,0|2,0,1]=4 239 B6R0.5 O=S(=O)(O)CCBr CS-0130412 [0,1,0,0,0,0|2,0,0]=3 240 B6R1.2 BrC1=CCCC1 CS-0205606 [0,0,0,1,0,0|2,0,0]=3 241 B6R1.2 CC1=NCCN1 CS-0282476 [0,0,0,1,0,0|3,0,0]=4 242 B6R1.2 CC1=NCCS1 CS-W013704 [0,0,0,1,0,0|2,1,0]=4 243 B6R1.2 CC1CCCN1 CS-0051829 [0,0,0,1,0,0|2,0,1]=4 244 B6R1.2 CC1CCCS1 CS-0207040 [0,0,0,1,0,0|1,1,1]=4 245 B6R1.2 C[S+]1CCCC1 CS-0503729 [0,0,0,1,0,0|3,0,0]=4 246 B6R1.2 ClC1=CCCC1 CS-0204701 [0,0,0,1,0,0|2,0,0]=3 247 B6R1.2 IC1=COCC1 CS-0504678 [0,0,0,1,0,0|3,0,0]=4 248 B6R1.2 N=C1NCCO1 CS-0265648 [0,0,0,1,0,0|2,0,0]=3 249 B6R1.2 N=C1NCCS1 CS-W016484 [0,0,0,1,0,0|2,1,0]=4 250 B6R1.2 NC1=NCCO1 CS-0186913 [0,0,0,1,0,0|2,0,0]=3 251 B6R1.2 O=C1C=CCN1 CS-0135756 [0,0,0,1,0,0|1,0,2]=4 252 B6R1.2 O=C1CCON1 CS-W019350 [0,0,0,1,0,0|2,0,0]=3 253 B6R1.2 O=C1NCCN1 CS-0368270 [0,0,0,1,0,0|2,0,0]=3 254 B6R1.2 OC1=NCNC1 CS-W006727 [0,0,0,1,0,0|2,0,0]=3 255 B6R1.2 OC1CCCO1 CS-0197674 [0,0,0,1,0,0|0,0,2]=3 256 B6R1.2 [C@H]1(C)CCCN1 CS-W005764 [0,0,0,1,0,0|2,0,1]=4 257 B6R1.3 BrCC[C@H]1CO1 CS-0158425 [0,0,0,1,0,0|2,0,1]=4 258 B6R1.3 OCCC1CO1 CS-0057153 [0,0,0,1,0,0|2,0,1]=4 259 B6R1.5 CC1CC(=O)O1 CS-0377913 [0,0,0,1,0,0|0,0,0]=1 260 B6R1.5 N[C@H]1C[C@H](O)C1 CS-0047791 [0,0,0,1,0,0|2,0,1]=4 261 B6R1.5 O=C1CC(Br)C1 CS-0040508 [0,0,0,1,0,0|2,0,0]=3 262 B6R1.5 OC1CC(O)C1 CS-0049637 [0,0,0,1,0,0|2,0,1]=4 263 B6R1.10 CC1(O)CNC1 CS-0139518 [0,0,0,1,0,0|2,0,1]=4 264 B6R1.10 CC1(O)CSC1 CS-0051237 [0,0,0,1,0,0|2,0,1]=4 265 B6R1.10 O=S1(=O)CCC1 CS-W011293 [0,0,0,1,0,0|1,0,1]=3 266 B6R1.11 C[C@@H](N)C1CC1 CS-0183099 [0,0,0,1,0,0|2,0,1]=4 267 B6R1.11 N=C(N)C1CC1 CS-0036166 [0,0,0,1,0,0|2,0,0]=3 268 B3R0.1 BrCCI CS-0210895 [2,0,0,0,0,0|2,0,0]=4 269 B3R0.1 CCNC CS-0433089 [2,0,0,0,0,0|1,0,1]=4 270 B3R0.1 NCCN CS-W012035 [2,0,0,0,0,0|2,0,0]=4 271 B3R0.2 CC(=N)N CS-0214127 [2,0,0,0,0,0|2,0,0]=4 272 B3R0.2 CC(=O)O CS-0452080 [2,0,0,0,0,0|0,0,0]=2 273 B3R0.2 CC(=O)[O-] CS-0514854 [2,0,0,0,0,0|0,0,1]=3 274 B3R0.2 C[Zr](C)=O CS-0111413 [2,0,0,0,0,0|2,0,0]=4 275 B3R0.2 O=C(O)O CS-0188062 [2,0,0,0,0,0|1,0,0]=3 276 B5R0.3 C#CC(=O)CC CS-0262502 [1,1,0,0,0,0|1,0,0]=3 277 B5R0.3 C=CC(O)CC CS-0187602 [1,1,0,0,0,0|1,0,1]=4 278 B5R0.3 CCC(=O)SC CS-0511804 [1,1,0,0,0,0|0,1,0]=3 279 B5R0.3 CCC(N)CO CS-W013747 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.3 CCC(O)C#N CS-0217991 [1,1,0,0,0,0|1,0,1]=4 281 B5R0.3 CCC(O)CI CS-0244982 [1,1,0,0,0,0|1,0,1]=4 282 B5R0.3 CCC(O)CO CS-0094102 [1,1,0,0,0,0|0,0,2]=4 283 B5R0.3 CC[C@@H](O)CN CS-0096325 [1,1,0,0,0,0|1,0,1]=4 284 B5R0.3 CC\C(N)=N\O CS-0701769 [1,1,0,0,0,0|1,0,0]=3 285 B5R0.3 CNC(=O)CO CS-0205237 [1,1,0,0,0,0|1,0,0]=3 286 B5R0.3 CNC(=O)NN CS-0210256 [1,1,0,0,0,0|2,0,0]=4 287 B5R0.3 CNC(=O)OC CS-0211316 [1,1,0,0,0,0|1,0,0]=3 288 B5R0.3 N=C(CCl)NO CS-0368582 [1,1,0,0,0,0|2,0,0]=4 289 B5R0.3 NCC(=O)CN CS-0165855 [1,1,0,0,0,0|2,0,0]=4 290 B5R0.3 N\C(CCl)=N/O CS-0074761 [1,1,0,0,0,0|2,0,0]=4 291 B5R0.3 O=C(CO)CO CS-W021282 [1,1,0,0,0,0|1,0,0]=3 292 B5R0.4 CCS(=O)(=O)F CS-0250998 [1,1,0,0,0,0|1,0,1]=4 293 B5R0.4 CCS(=O)(=O)[O-] CS-0206836 [1,1,0,0,0,0|1,0,1]=4 294 B5R0.4 CCS(=O)([O-])=S CS-0622065 [1,1,0,0,0,0|1,0,1]=4 295 B5R0.4 CNS(=O)(=O)O CS-0622168 [1,1,0,0,0,0|2,0,0]=4 296 B5R0.4 O=P(O)(O)CCl CS-0328214 [1,1,0,0,0,0|2,0,0]=4 297 B5R0.4 O=P(O)(O)CO CS-0757558 [1,1,0,0,0,0|2,0,0]=4 298 B5R0.4 O=S(=O)(O)CI CS-0939889 [1,1,0,0,0,0|2,0,0]=4 299 B5R0.5 C=C(Br)C(=O)O CS-0376420 [1,1,0,0,0,0|0,0,2]=4 300 B5R0.5 CC(=O)C(N)=O CS-0233017 [1,1,0,0,0,0|1,0,1]=4 301 B5R0.5 CC(C)C(=N)N CS-0183518 [1,1,0,0,0,0|2,0,0]=4 302 B5R0.5 CC(C)C(=O)[O-] CS-0111016 [1,1,0,0,0,0|0,0,1]=3 303 B5R0.5 CC(Cl)C(=N)N CS-0230973 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.5 CC(N)C(N)=O CS-0036447 [1,1,0,0,0,0|1,0,0]=3 305 B5R0.5 CC(N)[PH](=O)O CS-0877877 [1,1,0,0,0,0|1,0,0]=3 306 B5R0.5 CC(O)C(=O)O CS-0945561 [1,1,0,0,0,0|0,0,0]=2 307 B5R0.5 CN(N)C(N)=O CS-0449808 [1,1,0,0,0,0|2,0,0]=4 308 B5R0.5 C[C@@H](O)C(=N)N CS-0215453 [1,1,0,0,0,0|2,0,0]=4 309 B5R0.5 C[C@@H](O)C(=O)[O-] CS-0236856 [1,1,0,0,0,0|0,0,1]=3 310 B5R0.5 NC(=O)C(Cl)Cl CS-0149993 [1,1,0,0,0,0|2,0,0]=4 311 B5R0.5 O=C(O)C(F)Cl CS-0266361 [1,1,0,0,0,0|1,0,0]=3 312 B5R0.2 C=C=CCCO CS-0246741 [1,1,0,0,0,0|2,0,0]=4 313 B5R0.2 C=CCCCN CS-0072974 [1,1,0,0,0,0|1,0,0]=3 314 B5R0.2 C=CCCON CS-0215003 [1,1,0,0,0,0|2,0,0]=4 315 B5R0.2 C=CCNC=O CS-0239380 [1,1,0,0,0,0|0,0,2]=4 316 B5R0.2 C=CCNCC CS-0251036 [1,1,0,0,0,0|1,0,0]=3 317 B5R0.2 C=CCSSC CS-0204953 [1,1,0,0,0,0|2,0,0]=4 318 B5R0.2 CC#CCCO CS-0143647 [1,1,0,0,0,0|0,0,2]=4 319 B5R0.2 CCCC#CI CS-0334046 [1,1,0,0,0,0|1,0,1]=4 320 B5R0.2 CCCCCF CS-0716626 [1,1,0,0,0,0|1,0,1]=4 321 B5R0.2 CCCCCN CS-0214092 [1,1,0,0,0,0|1,0,1]=4 322 B5R0.2 CCCCNN CS-0667621 [1,1,0,0,0,0|1,0,1]=4 323 B5R0.2 CCCCO[Ti] CS-0111516 [1,1,0,0,0,0|0,0,1]=3 324 B5R0.2 CCNCC#N CS-0250639 [1,1,0,0,0,0|1,0,1]=4 325 B5R0.2 CCSCC#N CS-0261238 [1,1,0,0,0,0|1,0,1]=4 326 B5R0.2 CCSCCBr CS-0232073 [1,1,0,0,0,0|1,0,1]=4 327 B5R0.2 CC\C=C/CO CS-0074371 [1,1,0,0,0,0|0,0,1]=3 328 B5R0.2 CC\C=C\CBr CS-0296500 [1,1,0,0,0,0|1,0,1]=4 329 B5R0.2 CNCCOC CS-0250483 [1,1,0,0,0,0|1,0,1]=4 330 B5R0.2 COCCCI CS-0236599 [1,1,0,0,0,0|1,0,1]=4 331 B5R0.2 COCCCN CS-0162830 [1,1,0,0,0,0|1,0,1]=4 332 B5R0.2 COCCNN CS-0035845 [1,1,0,0,0,0|2,0,0]=4 333 B5R0.2 COCCOC CS-0835969 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.2 CSCCC#N CS-0205364 [1,1,0,0,0,0|1,0,1]=4 335 B5R0.2 CSCCCN CS-0204914 [1,1,0,0,0,0|1,0,1]=4 336 B5R0.2 CSCCCN CS-0516616 [1,1,0,0,0,0|1,0,1]=4 337 B5R0.2 N#CCCCI CS-0239629 [1,1,0,0,0,0|1,0,1]=4 338 B5R0.2 N#CCCCN CS-0034835 [1,1,0,0,0,0|1,0,1]=4 339 B5R0.2 NCCCCN CS-0214045 [1,1,0,0,0,0|1,0,1]=4 340 B5R0.2 NCCCCN CS-0468676 [1,1,0,0,0,0|1,0,1]=4 341 B5R0.2 NNCCCO CS-0047562 [1,1,0,0,0,0|1,0,1]=4 342 B5R0.2 OCCCCI CS-0130048 [1,1,0,0,0,0|0,0,1]=3 343 B5R0.2 OCCCCO CS-0637550 [1,1,0,0,0,0|0,0,1]=3 344 B7R0.2 C#CC(O)CC(C)C CS-0225823 [0,2,0,0,0,0|1,0,1]=4 345 B7R0.2 C=CC(=O)OC(C)C CS-0524531 [0,2,0,0,0,0|2,0,0]=4 346 B7R0.2 C=CC(C)CC(=O)O CS-0243291 [0,2,0,0,0,0|0,0,0]=2 347 B7R0.2 CC(=O)CC(C)C#N CS-0241518 [0,2,0,0,0,0|1,0,0]=3 348 B7R0.2 CC(C)CC(=N)NO CS-0251439 [0,2,0,0,0,0|1,0,0]=3 349 B7R0.2 CC(C)CC(O)CN CS-0262435 [0,2,0,0,0,0|1,0,1]=4 350 B7R0.2 CC(C)CC(O)CN CS-0274062 [0,2,0,0,0,0|1,0,1]=4 351 B7R0.2 CC(C)NC(=O)CN CS-0454851 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.2 CC(CN)CC(=O)O CS-0020588 [0,2,0,0,0,0|0,0,0]=2 353 B7R0.2 CCC(C)CB(O)O CS-0697192 [0,2,0,0,0,0|1,0,1]=4 354 B7R0.2 CCC(C)CC(=N)N CS-0257477 [0,2,0,0,0,0|2,0,0]=4 355 B7R0.2 CCC(C)NC(N)=O CS-0221509 [0,2,0,0,0,0|1,0,0]=3 356 B7R0.2 CCC(C)NC(N)=S CS-0220060 [0,2,0,0,0,0|1,1,0]=4 357 B7R0.2 CCC(N)CC(=O)O CS-0172209 [0,2,0,0,0,0|0,0,0]=2 358 B7R0.2 CCN(C)CC(C)=O CS-0687773 [0,2,0,0,0,0|1,0,0]=3 359 B7R0.2 CCS(=O)CC(=O)O CS-0237100 [0,2,0,0,0,0|0,0,0]=2 360 B7R0.2 CC[C@@H](N)CC(=O)O CS-0172026 [0,2,0,0,0,0|0,0,0]=2 361 B7R0.2 CC[C@H](N)CC(=O)O CS-0153929 [0,2,0,0,0,0|0,0,0]=2 362 B7R0.2 CC[C@H](N)CC(=O)O CS-0172024 [0,2,0,0,0,0|0,0,0]=2 363 B7R0.2 CN(C)C\C(N)=N\O CS-0245239 [0,2,0,0,0,0|2,0,0]=4 364 B7R0.2 CNC(=O)CC(C)=O CS-0214968 [0,2,0,0,0,0|1,0,1]=4 365 B7R0.2 COC(=O)CC(C)N CS-0147335 [0,2,0,0,0,0|0,0,0]=2 366 B7R0.2 COC(=O)CC(C)O CS-0161084 [0,2,0,0,0,0|0,0,0]=2 367 B7R0.2 COC(=O)CC(N)=S CS-0246007 [0,2,0,0,0,0|1,0,1]=4 368 B7R0.2 COC(=O)CN(C)C CS-0201680 [0,2,0,0,0,0|1,0,0]=3 369 B7R0.2 COC(=O)CN(C)C CS-0361918 [0,2,0,0,0,0|1,0,0]=3 370 B7R0.2 COC(=O)CS(C)=O CS-0231490 [0,2,0,0,0,0|1,0,0]=3 371 B7R0.2 COC(C)CC(=O)O CS-0216817 [0,2,0,0,0,0|0,0,0]=2 372 B7R0.2 CSC(C)CC(=O)O CS-0224328 [0,2,0,0,0,0|0,0,0]=2 373 B7R0.2 C\C(CC(C)C)=N/O CS-0504213 [0,2,0,0,0,0|1,0,0]=3 374 B7R0.2 NCC(N)CC(=O)O CS-0260960 [0,2,0,0,0,0|0,0,0]=2 375 B7R0.2 NCC(O)CC(=O)O CS-0013138 [0,2,0,0,0,0|0,0,0]=2 376 B7R0.2 O=C(O)CC(=O)CCl CS-0360358 [0,2,0,0,0,0|0,0,1]=3 377 B7R0.3 C#CCNC(=O)OC CS-0262100 [0,2,0,0,0,0|0,0,2]=4 378 B7R0.3 C=CC(=O)NCCC CS-0167916 [0,2,0,0,0,0|1,0,0]=3 379 B7R0.3 C=CC(=O)NCCCl CS-0231084 [0,2,0,0,0,0|2,0,0]=4 380 B7R0.3 C=CC(=O)NCOC CS-0168572 [0,2,0,0,0,0|2,0,0]=4 381 B7R0.3 C=CC(=O)OCCC CS-0870996 [0,2,0,0,0,0|1,0,0]=3 382 B7R0.3 C=CC(=O)OCCCl CS-W013365 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.3 C=CCCC(=O)CC CS-0253493 [0,2,0,0,0,0|1,0,1]=4 384 B7R0.3 C=CCCC(=O)NC CS-0666768 [0,2,0,0,0,0|1,0,1]=4 385 B7R0.3 CCC(=O)NCCN CS-0697791 [0,2,0,0,0,0|2,0,0]=4 386 B7R0.3 CCC(=O)NCCO CS-0449194 [0,2,0,0,0,0|2,0,0]=4 387 B7R0.3 CCCCC(C)CO CS-0297350 [0,2,0,0,0,0|1,0,1]=4 388 B7R0.3 CCCCC(O)CC CS-0137777 [0,2,0,0,0,0|1,0,1]=4 389 B7R0.3 CCCC[C@H](N)CO CS-0089877 [0,2,0,0,0,0|1,0,1]=4 390 B7R0.3 CCCNC(=O)CBr CS-0240203 [0,2,0,0,0,0|1,0,0]=3 391 B7R0.3 CCCNC(=O)CN CS-0454285 [0,2,0,0,0,0|1,0,0]=3 392 B7R0.3 CCCNC(=S)NN CS-0221666 [0,2,0,0,0,0|1,1,0]=4 393 B7R0.3 CCCOC(=O)CN CS-0727430 [0,2,0,0,0,0|1,0,0]=3 394 B7R0.3 CCNCC(=O)OC CS-0342279 [0,2,0,0,0,0|0,0,0]=2 395 B7R0.3 CCOCC(=O)NN CS-0259344 [0,2,0,0,0,0|1,0,0]=3 396 B7R0.3 CCOCC(=O)OC CS-0260436 [0,2,0,0,0,0|0,0,0]=2 397 B7R0.3 CCOCC(O)CN CS-0128931 [0,2,0,0,0,0|1,0,1]=4 398 B7R0.3 CC\C=C\C(=O)OC CS-0161339 [0,2,0,0,0,0|0,0,1]=3 399 B7R0.3 CC\C=C\C(=O)OC CS-0784965 [0,2,0,0,0,0|0,0,1]=3 400 B7R0.3 CNC(=O)CCCCl CS-0249742 [0,2,0,0,0,0|1,0,0]=3 401 B7R0.3 CNC(=O)CCCN CS-0207685 [0,2,0,0,0,0|1,0,0]=3 402 B7R0.3 CNC(=O)OCCO CS-0075093 [0,2,0,0,0,0|2,0,0]=4 403 B7R0.3 CNCCC(=O)NC CS-0217040 [0,2,0,0,0,0|1,0,0]=3 404 B7R0.3 CNCCC(=O)OC CS-0454555 [0,2,0,0,0,0|0,0,0]=2 405 B7R0.3 COC(=N)CCCCl CS-0309147 [0,2,0,0,0,0|1,0,0]=3 406 B7R0.3 COCCC(=O)NN CS-0318297 [0,2,0,0,0,0|1,0,0]=3 407 B7R0.3 CSCC[C@@H](N)CO CS-0088128 [0,2,0,0,0,0|1,0,1]=4 408 B7R0.3 C\C=C\CC(=O)OC CS-0185645 [0,2,0,0,0,0|0,0,1]=3 409 B7R0.3 NNC(=O)CCCO CS-0206368 [0,2,0,0,0,0|1,0,0]=3 410 B7R0.3 O=C(CCl)NCCCl CS-0715480 [0,2,0,0,0,0|2,0,0]=4 411 B7R0.3 OCCCC(O)CO CS-0207492 [0,2,0,0,0,0|0,0,2]=4 412 B7R0.5 C#CCC(N)C(=O)O CS-0043990 [0,2,0,0,0,0|0,0,1]=3 413 B7R0.5 C=C(Br)C(=O)OCC CS-0208831 [0,2,0,0,0,0|2,0,0]=4 414 B7R0.5 C=CC[C@@H](N)C(=O)O CS-0020004 [0,2,0,0,0,0|0,0,1]=3 415 B7R0.5 CC(CCN)C(=O)O CS-0308023 [0,2,0,0,0,0|0,0,0]=2 416 B7R0.5 CC(NC=O)C(=O)O CS-0201634 [0,2,0,0,0,0|1,0,1]=4 417 B7R0.5 CCCC(Br)C(=O)O CS-0622324 [0,2,0,0,0,0|0,0,0]=2 418 B7R0.5 CCCC(O)C(=O)O CS-0062341 [0,2,0,0,0,0|0,0,0]=2 419 B7R0.5 CCCC(O)C(C)C CS-0331622 [0,2,0,0,0,0|1,0,1]=4 420 B7R0.5 CCCC(O)C(N)=O CS-0524864 [0,2,0,0,0,0|0,0,1]=3 421 B7R0.5 CCC[C@H](N)C(N)=O CS-0120151 [0,2,0,0,0,0|1,0,0]=3 422 B7R0.5 CCNC(=O)C(=O)O CS-0208820 [0,2,0,0,0,0|0,0,1]=3 423 B7R0.5 CCNC(=O)C(C)Br CS-0666950 [0,2,0,0,0,0|2,0,0]=4 424 B7R0.5 CCNC(=O)C(C)N CS-0245127 [0,2,0,0,0,0|2,0,0]=4 425 B7R0.5 CCOC(=O)C(C)I CS-0187740 [0,2,0,0,0,0|2,0,0]=4 426 B7R0.5 CCOC(=O)C(F)I CS-0365100 [0,2,0,0,0,0|2,0,0]=4 427 B7R0.5 CCOC(=O)N(C)C CS-0112757 [0,2,0,0,0,0|2,0,0]=4 428 B7R0.5 CCOC(=O)N(C)N CS-0671499 [0,2,0,0,0,0|2,0,0]=4 429 B7R0.5 CCOC(=O)[C@@H](C)F CS-0523947 [0,2,0,0,0,0|2,0,0]=4 430 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [0,2,0,0,0,0|2,0,0]=4 431 B7R0.5 CCOC(C)C(=O)O CS-0136065 [0,2,0,0,0,0|0,0,0]=2 432 B7R0.5 CCOC(C)C(N)=S CS-0264100 [0,2,0,0,0,0|1,1,0]=4 433 B7R0.5 CN(C)C(=O)CCCl CS-0063172 [0,2,0,0,0,0|2,0,0]=4 434 B7R0.5 CN(C)C(=O)CCN CS-0051534 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.5 CN(C)C(=O)CCN CS-0205808 [0,2,0,0,0,0|2,0,0]=4 436 B7R0.5 CN(C)C(=O)CCO CS-0661881 [0,2,0,0,0,0|2,0,0]=4 437 B7R0.5 CNCC(=O)N(C)C CS-0058618 [0,2,0,0,0,0|2,0,0]=4 438 B7R0.5 CNCC(=O)N(C)C CS-0058620 [0,2,0,0,0,0|2,0,0]=4 439 B7R0.5 CNCC(C)C(=O)O CS-0216874 [0,2,0,0,0,0|0,0,0]=2 440 B7R0.5 COCC(C)C(=O)O CS-0737187 [0,2,0,0,0,0|0,0,0]=2 441 B7R0.5 CO\N=C(/C)C(=O)O CS-0698980 [0,2,0,0,0,0|1,0,1]=4 442 B7R0.5 CSCC(C)C(=O)O CS-0259419 [0,2,0,0,0,0|0,0,0]=2 443 B7R0.5 C[C@H](NC=O)C(=O)O CS-0201635 [0,2,0,0,0,0|1,0,1]=4 444 B7R0.5 NCCC(N)C(=O)O CS-0521573 [0,2,0,0,0,0|0,0,0]=2 445 B7R0.5 NCC[C@@H](N)C(=O)O CS-W005155 [0,2,0,0,0,0|0,0,0]=2 446 B7R0.5 NCC[C@H](N)C(=O)O CS-0447015 [0,2,0,0,0,0|0,0,0]=2 447 B7R0.5 N[C@@H](CCBr)C(=O)O CS-W010140 [0,2,0,0,0,0|0,0,0]=2 448 B7R0.5 O=C(O)C(Br)CCBr CS-0340260 [0,2,0,0,0,0|0,0,0]=2 449 B7R0.7 C(I)=CC(=O)OCC CS-W006336 [0,2,0,0,0,0|2,0,0]=4 450 B7R0.7 C=CCC(O)CCC CS-0236276 [0,2,0,0,0,0|1,0,1]=4 451 B7R0.7 C=COC(=O)\C=C\C CS-0167852 [0,2,0,0,0,0|0,0,2]=4 452 B7R0.7 CCCC(=O)OCCl CS-0199093 [0,2,0,0,0,0|0,0,0]=2 453 B7R0.7 CCOC(=N)CCCl CS-0681393 [0,2,0,0,0,0|2,0,0]=4 454 B7R0.7 CCOC(=O)\C=C/Br CS-0188289 [0,2,0,0,0,0|2,0,0]=4 455 B7R0.7 CCOC(=S)SCC CS-0238225 [0,2,0,0,0,0|1,1,0]=4 456 B7R0.7 CCOS(=O)OCC CS-0204569 [0,2,0,0,0,0|2,0,0]=4 457 B7R0.7 O=S(CCO)CCO CS-0256472 [0,2,0,0,0,0|2,0,0]=4 458 B7R0.10 C=C(CCl)C(=O)OC CS-0208489 [0,2,0,0,0,0|1,0,1]=4 459 B7R0.10 CCC(=O)C(=O)OC CS-W013615 [0,2,0,0,0,0|0,0,1]=3 460 B7R0.10 CCC(=O)C(O)CC CS-W011231 [0,2,0,0,0,0|1,0,0]=3 461 B7R0.10 CCC(=O)N(C)CC CS-0535260 [0,2,0,0,0,0|2,0,0]=4 462 B7R0.10 CCC(C)C(N)CO CS-0262886 [0,2,0,0,0,0|1,0,1]=4 463 B7R0.10 CCC(C)C(O)CC CS-0240206 [0,2,0,0,0,0|1,0,1]=4 464 B7R0.10 CCC(Cl)C(=O)OC CS-0250039 [0,2,0,0,0,0|0,0,0]=2 465 B7R0.10 CCC(N)C(=O)NC CS-0966086 [0,2,0,0,0,0|1,0,0]=3 466 B7R0.10 CCN(C)C(=O)CBr CS-0308602 [0,2,0,0,0,0|2,0,0]=4 467 B7R0.10 CCN(C)C(=O)CCl CS-0247887 [0,2,0,0,0,0|2,0,0]=4 468 B7R0.10 CC[C@@H](C)[C@@H](N)CO CS-0552434 [0,2,0,0,0,0|1,0,1]=4 469 B7R0.10 CC[C@H](C)[C@H](N)CO CS-0120436 [0,2,0,0,0,0|1,0,1]=4 470 B7R0.10 CC[C@H](N)C(=O)OC CS-W021182 [0,2,0,0,0,0|0,0,0]=2 471 B7R0.10 CNC(=O)C(=O)OC CS-0667092 [0,2,0,0,0,0|1,0,1]=4 472 B7R0.10 CNC(=O)C(C)CN CS-0727683 [0,2,0,0,0,0|2,0,0]=4 473 B7R0.10 CNC(C)C(=O)OC CS-0433213 [0,2,0,0,0,0|1,0,0]=3 474 B7R0.10 CN[C@H](C)C(=O)OC CS-0212747 [0,2,0,0,0,0|1,0,0]=3 475 B7R0.10 COC(=O)C(C)C#N CS-0232751 [0,2,0,0,0,0|1,0,1]=4 476 B7R0.10 COC(=O)C(C)CBr CS-0565366 [0,2,0,0,0,0|1,0,0]=3 477 B7R0.10 COC(=O)C(C)OC CS-0207198 [0,2,0,0,0,0|1,0,0]=3 478 B7R0.10 COC(=O)C(C)SC CS-0272270 [0,2,0,0,0,0|1,0,0]=3 479 B7R0.10 COC(=O)C(O)CCl CS-0662697 [0,2,0,0,0,0|1,0,0]=3 480 B7R0.10 COC(=O)N(C)CCl CS-0968514 [0,2,0,0,0,0|2,0,0]=4 481 B7R0.10 COC(=O)N(C)OC CS-W001820 [0,2,0,0,0,0|2,0,0]=4 482 B7R0.10 COC(=O)[C@@H](N)CN CS-0162081 [0,2,0,0,0,0|1,0,0]=3 483 B7R0.10 C\C=C(/C)C(=O)OC CS-0257038 [0,2,0,0,0,0|0,0,2]=4 484 B7R0.10 C\C=C(\C)C(=O)OC CS-0207690 [0,2,0,0,0,0|0,0,2]=4 485 B7R0.10 O=C(CO)[C@@H](O)CO CS-0436802 [0,2,0,0,0,0|1,0,0]=3 486 B7R0.11 CCCC(C)(C)CO CS-0308552 [0,2,0,0,0,0|1,0,1]=4 487 B7R0.11 CCCC(C)(O)CN CS-0260560 [0,2,0,0,0,0|1,0,1]=4 488 B7R0.9 CC(=O)CC(C)(C)N CS-0204783 [0,2,0,0,0,0|1,0,0]=3 489 B7R0.9 CC(C)(C)CC(N)=O CS-0248453 [0,2,0,0,0,0|1,0,0]=3 490 B7R0.9 CC(C)(O)C[N+](=O)[O-] CS-0875022 [0,2,0,0,0,0|1,0,1]=4 491 B7R0.9 CC(C)CC(C)(C)O CS-0454305 [0,2,0,0,0,0|1,0,1]=4 492 B7R0.9 C[Si](C)(C)CC(=O)O CS-W016542 [0,2,0,0,0,0|0,1,0]=3 493 B7R0.9 NC(=O)CC(F)(F)F CS-0452664 [0,2,0,0,0,0|2,0,0]=4 494 B7R0.16 CC(C)C(=O)C(=O)[O-] CS-0205398 [0,2,0,0,0,0|0,0,2]=4 495 B7R0.16 CC(C)C(N)C(N)=O CS-0312424 [0,2,0,0,0,0|1,0,0]=3 496 B7R0.16 CC(C)C(S)C(=O)O CS-0222512 [0,2,0,0,0,0|0,0,0]=2 497 B7R0.16 CC(C)[C@H](N)C(=O)O CS-0201920 [0,2,0,0,0,0|0,0,0]=2 498 B7R0.16 CC(O)C(N)C(=O)O CS-0154977 [0,2,0,0,0,0|0,0,0]=2 499 B7R0.16 CN(C)C(=O)C(=O)O CS-W019571 [0,2,0,0,0,0|1,0,1]=4 500 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0221986 [0,2,0,0,0,0|1,0,0]=3 501 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0201886 [0,2,0,0,0,0|0,0,0]=2 502 B7R0.16 C[C@H](C(N)=O)N(C)C CS-0757954 [0,2,0,0,0,0|2,0,0]=4 503 B7R0.16 O=C(O)C(=O)C(Br)Br CS-0186733 [0,2,0,0,0,0|1,0,1]=4 504 B7R0.16 O=C(O)C(F)C(=O)O CS-0469892 [0,2,0,0,0,0|1,0,1]=4 505 B7R0.13 CC(Br)(CBr)C(=O)O CS-0215037 [0,2,0,0,0,0|1,0,0]=3 506 B7R0.13 CC(C)(CN)C(=O)O CS-0342863 [0,2,0,0,0,0|1,0,0]=3 507 B7R0.13 CC(N)(CO)C(=O)O CS-W013589 [0,2,0,0,0,0|1,0,0]=3 508 B7R0.13 CCC(C)(Br)C(=O)O CS-0257663 [0,2,0,0,0,0|0,0,0]=2 509 B7R0.13 CCC(C)(C)C(N)=O CS-0236614 [0,2,0,0,0,0|1,0,0]=3 510 B7R0.13 CCC(C)(C)[S@@](N)=O CS-0459213 [0,2,0,0,0,0|2,0,0]=4 511 B7R0.13 CCC(C)(N)C(=O)O CS-0245856 [0,2,0,0,0,0|0,0,0]=2 512 B7R0.13 CCC(C)(N)C(=O)O CS-0311817 [0,2,0,0,0,0|0,0,0]=2 513 B7R0.13 CCC(C)(N)C(N)=O CS-0295504 [0,2,0,0,0,0|1,0,0]=3 514 B7R0.13 CCC(F)(F)C(=O)O CS-0068725 [0,2,0,0,0,0|0,0,0]=2 515 B7R0.13 CC[C@](C)(N)C(=O)O CS-0206584 [0,2,0,0,0,0|0,0,0]=2 516 B7R0.13 COC(C)(C)C(N)=O CS-0523551 [0,2,0,0,0,0|2,0,0]=4 517 B7R0.13 CSC(C)(C)C(=O)O CS-0245211 [0,2,0,0,0,0|1,0,0]=3 518 B7R0.15 CCC(CC)C(N)=S CS-0246208 [0,2,0,0,0,0|1,1,0]=4 519 B7R0.15 CCC(NC)C(=O)O CS-0251353 [0,2,0,0,0,0|0,0,0]=2 520 B7R0.15 CCC(NC)C(N)=O CS-0324764 [0,2,0,0,0,0|1,0,0]=3 521 B7R0.15 CCC(SC)C(=O)O CS-0223304 [0,2,0,0,0,0|0,0,0]=2 522 B7R0.15 CC[C@H](NC)C(N)=O CS-0961781 [0,2,0,0,0,0|1,0,0]=3 523 B7R0.15 CN[C@@H](CO)C(=O)O CS-0187590 [0,2,0,0,0,0|1,0,0]=3 524 B7R0.15 CN[C@H](CO)C(=O)O CS-0151242 [0,2,0,0,0,0|1,0,0]=3 525 B7R0.15 COC(OC)C(=O)O CS-0524002 [0,2,0,0,0,0|1,0,0]=3 526 B7R0.4 C#CCCCC(N)=O CS-0759267 [0,2,0,0,0,0|1,0,0]=3 527 B7R0.4 C#CCCOC(C)=O CS-0242576 [0,2,0,0,0,0|1,0,1]=4 528 B7R0.4 C#CCNCC(=O)O CS-0343178 [0,2,0,0,0,0|0,0,1]=3 529 B7R0.4 C=CCCOC(C)=O CS-0206024 [0,2,0,0,0,0|1,0,1]=4 530 B7R0.4 C=CCNCC(=O)O CS-0170873 [0,2,0,0,0,0|0,0,1]=3 531 B7R0.4 C=CCSCC(=O)O CS-0216467 [0,2,0,0,0,0|0,0,1]=3 532 B7R0.4 CC(=O)CCCC#N CS-0446855 [0,2,0,0,0,0|1,0,0]=3 533 B7R0.4 CC(=O)NCCCCl CS-0223153 [0,2,0,0,0,0|1,0,0]=3 534 B7R0.4 CC(=O)NCCCN CS-0200175 [0,2,0,0,0,0|1,0,0]=3 535 B7R0.4 CC(=O)NCCCN CS-0208169 [0,2,0,0,0,0|1,0,0]=3 536 B7R0.4 CC(=O)NCCCO CS-0037159 [0,2,0,0,0,0|1,0,0]=3 537 B7R0.4 CC(=O)OCCCBr CS-0130245 [0,2,0,0,0,0|1,0,0]=3 538 B7R0.4 CC(=O)SCCCCl CS-0232562 [0,2,0,0,0,0|1,0,0]=3 539 B7R0.4 CC(=O)SCCCO CS-0570855 [0,2,0,0,0,0|1,0,0]=3 540 B7R0.4 CC(O)CNCCN CS-0456827 [0,2,0,0,0,0|1,0,1]=4 541 B7R0.4 CC(O)CNCCO CS-M0804 [0,2,0,0,0,0|1,0,1]=4 542 B7R0.4 CCC#CCC(C)O CS-0324057 [0,2,0,0,0,0|1,0,1]=4 543 B7R0.4 CCCCCC(=N)N CS-0239620 [0,2,0,0,0,0|2,0,0]=4 544 B7R0.4 CCCCC[N+](=O)[O-] CS-0222574 [0,2,0,0,0,0|1,0,1]=4 545 B7R0.4 CCCCOC(N)=O CS-0152093 [0,2,0,0,0,0|1,0,0]=3 546 B7R0.4 CCCNCC(C)O CS-0465479 [0,2,0,0,0,0|1,0,1]=4 547 B7R0.4 CCOCCC(=O)O CS-0216898 [0,2,0,0,0,0|0,0,0]=2 548 B7R0.4 CCSCCC(=O)O CS-0249654 [0,2,0,0,0,0|0,0,0]=2 549 B7R0.4 CNCCNC(C)=O CS-0234928 [0,2,0,0,0,0|1,0,0]=3 550 B7R0.4 COCCNC(=N)N CS-0303586 [0,2,0,0,0,0|2,0,0]=4 551 B7R0.4 COCCNC(N)=O CS-0213036 [0,2,0,0,0,0|1,0,0]=3 552 B7R0.4 COC\C=C\C(=O)O CS-0782179 [0,2,0,0,0,0|0,0,1]=3 553 B7R0.4 CS(=O)CCCC#N CS-0240265 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.4 CSCCCC(=O)O CS-0261815 [0,2,0,0,0,0|0,0,0]=2 555 B7R0.4 CSCCCC(C)=O CS-0459306 [0,2,0,0,0,0|1,0,0]=3 556 B7R0.4 CSCCNC(N)=O CS-0244833 [0,2,0,0,0,0|1,0,0]=3 557 B7R0.4 C\C=C/C=C/C(=O)O CS-0747017 [0,2,0,0,0,0|0,0,2]=4 558 B7R0.4 N#CCCCB(O)O CS-0771412 [0,2,0,0,0,0|1,0,1]=4 559 B7R0.4 NC(=O)CCCCO CS-0236568 [0,2,0,0,0,0|1,0,0]=3 560 B7R0.4 NC(=O)CSCCO CS-0328374 [0,2,0,0,0,0|1,0,0]=3 561 B7R0.4 NC(=O)NCCCO CS-0261419 [0,2,0,0,0,0|1,0,0]=3 562 B7R0.4 NCCCCC(=O)O CS-0214159 [0,2,0,0,0,0|0,0,0]=2 563 B7R0.4 NCCCCC(N)=O CS-0112084 [0,2,0,0,0,0|1,0,0]=3 564 B7R0.4 NCCOCC(=O)O CS-0162340 [0,2,0,0,0,0|0,0,0]=2 565 B7R0.4 O=CNCCC(=O)O CS-0512115 [0,2,0,0,0,0|0,0,1]=3 566 B7R0.4 OB(O)CCCCBr CS-0357249 [0,2,0,0,0,0|1,0,1]=4 567 B7R0.6 C=C(C)COC(C)=O CS-0187450 [0,2,0,0,0,0|1,0,1]=4 568 B7R0.6 CC(=O)CCC(=O)[O-] CS-0187336 [0,2,0,0,0,0|0,0,1]=3 569 B7R0.6 CC(=O)CCC(=O)[O-] CS-0526568 [0,2,0,0,0,0|0,0,1]=3 570 B7R0.6 CC(=O)NCC(N)=O CS-0333417 [0,2,0,0,0,0|1,0,1]=4 571 B7R0.6 CC(=O)NNC(C)C CS-M2559 [0,2,0,0,0,0|2,0,0]=4 572 B7R0.6 CC(C)C#CC(=O)O CS-0240271 [0,2,0,0,0,0|0,0,1]=3 573 B7R0.6 CC(C)CCC(=N)N CS-0695415 [0,2,0,0,0,0|2,0,0]=4 574 B7R0.6 CC(C)CNC(=N)O CS-W009543 [0,2,0,0,0,0|1,0,0]=3 575 B7R0.6 CC(C)NCC(=O)O CS-0246606 [0,2,0,0,0,0|0,0,0]=2 576 B7R0.6 CC(N)CCC(=O)O CS-0262263 [0,2,0,0,0,0|0,0,0]=2 577 B7R0.6 CC(O)CNC(C)C CS-0664874 [0,2,0,0,0,0|1,0,1]=4 578 B7R0.6 CC(O)COC(C)C CS-0504752 [0,2,0,0,0,0|1,0,1]=4 579 B7R0.6 CN(C)CCC(=O)O CS-0098123 [0,2,0,0,0,0|0,0,0]=2 580 B7R0.6 CN(C)CCC(N)=O CS-0231943 [0,2,0,0,0,0|1,0,0]=3 581 B7R0.6 CN(C)CCC(N)=S CS-0247301 [0,2,0,0,0,0|1,1,0]=4 582 B7R0.6 C[C@H](N)CCC(=O)O CS-0526945 [0,2,0,0,0,0|0,0,0]=2 583 B7R0.6 C[S+](C)CCC(=O)[O-] CS-0449826 [0,2,0,0,0,0|0,0,1]=3 584 B7R0.6 N=C(N)SCC(=O)O CS-0327029 [0,2,0,0,0,0|1,0,1]=4 585 B7R0.6 NC(=O)CCC(=O)O CS-0094544 [0,2,0,0,0,0|0,0,1]=3 586 B7R0.6 O=C(O)CCC(=O)O CS-0504137 [0,2,0,0,0,0|0,0,1]=3 587 B7R0.6 O=C(O)\C=C\C(F)F CS-0564458 [0,2,0,0,0,0|0,0,2]=4 588 B7R0.6 O=C([O-])CCC(=O)[O-] CS-0160311 [0,2,0,0,0,0|0,0,2]=4 589 B7R0.8 CC(C)(O)CCCBr CS-0121094 [0,2,0,0,0,0|1,0,1]=4 590 B7R0.8 CC(C)(O)CCCN CS-0154609 [0,2,0,0,0,0|1,0,1]=4 591 B7R0.8 CC(C)(O)CCCO CS-0308278 [0,2,0,0,0,0|1,0,1]=4 592 B7R0.8 CCCCP(=O)(O)O CS-0451169 [0,2,0,0,0,0|1,0,0]=3 593 B7R0.8 CCCCS(=O)(=O)F CS-0541350 [0,2,0,0,0,0|1,0,1]=4 594 B7R0.8 CCCCS(N)(=O)=O CS-0450901 [0,2,0,0,0,0|1,0,1]=4 595 B7R0.8 CCCOS(=O)(=O)[O-] CS-0683180 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.8 CCNCC(C)(C)O CS-0342879 [0,2,0,0,0,0|1,0,1]=4 597 B7R0.8 CNCCS(C)(=O)=O CS-0199514 [0,2,0,0,0,0|1,0,1]=4 598 B7R0.8 CNCCS(N)(=O)=O CS-0216223 [0,2,0,0,0,0|1,0,1]=4 599 B7R0.8 CS(=O)(=O)CCCCl CS-0217132 [0,2,0,0,0,0|1,0,1]=4 600 B7R0.8 NCCCS(=O)(=O)[O-] CS-W020927 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.8 NCCC[Si](O)(O)O CS-0258525 [0,2,0,0,0,0|0,1,1]=4 602 B7R0.8 NCCSS(=O)(=O)O CS-0234456 [0,2,0,0,0,0|2,0,0]=4 603 B7R0.8 O=S(=O)(F)CCCCl CS-0253656 [0,2,0,0,0,0|1,0,1]=4 604 B5R1.1 C1CCCC1 CS-0069724 [1,0,0,1,0,0|1,0,1]=4 605 B5R1.1 C1CCNC1 CS-0468677 [1,0,0,1,0,0|1,0,1]=4 606 B5R1.1 C1CCOC1 CS-0085484 [1,0,0,1,0,0|0,0,1]=3 607 B5R1.1 C1COCN1 CS-0214988 [1,0,0,1,0,0|1,0,1]=4 608 B7R1.1 BrCC1CCCO1 CS-0052243 [0,1,0,1,0,0|1,0,1]=4 609 B7R1.1 C#C[C@@H]1CCCO1 CS-0777989 [0,1,0,1,0,0|1,0,1]=4 610 B7R1.1 CCC1=NCCO1 CS-W009554 [0,1,0,1,0,0|2,0,0]=4 611 B7R1.1 ICC1CCCO1 CS-0225833 [0,1,0,1,0,0|1,0,1]=4 612 B7R1.1 N#CC1=CCCC1 CS-0089734 [0,1,0,1,0,0|2,0,0]=4 613 B7R1.1 NC[C@H]1CCCO1 CS-0469844 [0,1,0,1,0,0|1,0,1]=4 614 B7R1.1 O=CC1=CCSC1 CS-0224038 [0,1,0,1,0,0|2,0,0]=4 615 B7R1.1 OC[C@@H]1CCCN1 CS-0199747 [0,1,0,1,0,0|1,0,1]=4 616 B7R1.2 CC1=CC(=O)CO1 CS-0092875 [0,1,0,1,0,0|0,0,2]=4 617 B7R1.2 CC1=CC(=O)OC1 CS-0205200 [0,1,0,1,0,0|0,0,2]=4 618 B7R1.2 CC1=NC(=O)ON1 CS-0453264 [0,1,0,1,0,0|1,0,1]=4 619 B7R1.2 CC1CC(=O)NN1 CS-0242958 [0,1,0,1,0,0|1,0,0]=3 620 B7R1.2 CC1CCC(=O)N1 CS-0046659 [0,1,0,1,0,0|1,0,0]=3 621 B7R1.2 CC1CCC(C)O1 CS-0204690 [0,1,0,1,0,0|1,0,1]=4 622 B7R1.2 CC1CCC(O)C1 CS-0107204 [0,1,0,1,0,0|1,0,1]=4 623 B7R1.2 CC1CNC(=O)N1 CS-0040666 [0,1,0,1,0,0|1,0,0]=3 624 B7R1.2 CC1CNC(=O)O1 CS-0308136 [0,1,0,1,0,0|0,0,0]=2 625 B7R1.2 CC1CNC(=S)N1 CS-0090570 [0,1,0,1,0,0|1,1,0]=4 626 B7R1.2 CC1COS(=O)O1 CS-W013556 [0,1,0,1,0,0|1,0,0]=3 627 B7R1.2 CN1CCC(=O)C1 CS-0043579 [0,1,0,1,0,0|1,0,0]=3 628 B7R1.2 C[C@@H]1CCC(=O)O1 CS-0063958 [0,1,0,1,0,0|0,0,0]=2 629 B7R1.2 NC1CNC(=O)C1 CS-0051034 [0,1,0,1,0,0|1,0,0]=3 630 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-0020859 [0,1,0,1,0,0|1,0,1]=4 631 B7R1.2 O=C1C=C(Br)CO1 CS-0037435 [0,1,0,1,0,0|0,0,2]=4 632 B7R1.2 O=C1CC(O)=CO1 CS-0875094 [0,1,0,1,0,0|0,0,2]=4 633 B7R1.2 O=C1CC(O)CO1 CS-W013700 [0,1,0,1,0,0|0,0,0]=2 634 B7R1.2 O[C@H]1CC[C@@H](O)C1 CS-0049663 [0,1,0,1,0,0|1,0,1]=4 635 B7R1.3 BrC1=CCSCC1 CS-0693505 [0,1,0,1,0,0|2,0,0]=4 636 B7R1.3 C=C1CCOCC1 CS-W004277 [0,1,0,1,0,0|2,0,0]=4 637 B7R1.3 CB1OCCCO1 CS-0698995 [0,1,0,1,0,0|2,0,0]=4 638 B7R1.3 N=C1NCCCS1 CS-0072965 [0,1,0,1,0,0|1,1,0]=4 639 B7R1.3 NC1=NCCCC1 CS-0021164 [0,1,0,1,0,0|2,0,0]=4 640 B7R1.3 NC1=NCCCN1 CS-0072997 [0,1,0,1,0,0|2,0,0]=4 641 B7R1.3 O=C1C=CCOC1 CS-0051593 [0,1,0,1,0,0|0,0,2]=4 642 B7R1.3 O=C1CNCCN1 CS-0183828 [0,1,0,1,0,0|1,0,0]=3 643 B7R1.3 O=S1CCOCC1 CS-0686002 [0,1,0,1,0,0|2,0,0]=4 644 B7R1.3 OC1CCCSC1 CS-0256670 [0,1,0,1,0,0|0,1,1]=4 645 B7R1.3 O[C@@H]1CCCOC1 CS-0053086 [0,1,0,1,0,0|0,0,2]=4 646 B7R1.3 S=C1CCCCN1 CS-0265032 [0,1,0,1,0,0|1,1,0]=4 647 B7R1.3 S=C1NCCCS1 CS-0231397 [0,1,0,1,0,0|0,2,0]=4 648 B7R1.4 CC1=CCOC1=O CS-0204540 [0,1,0,1,0,0|0,0,2]=4 649 B7R1.4 CC1CCCC1O CS-0464755 [0,1,0,1,0,0|1,0,1]=4 650 B7R1.4 C[C@H]1CCC[C@@H]1O CS-0036071 [0,1,0,1,0,0|1,0,1]=4 651 B7R1.4 NC1CCCC1O CS-W005452 [0,1,0,1,0,0|1,0,1]=4 652 B7R1.4 NC1CCNC1=O CS-0067776 [0,1,0,1,0,0|1,0,0]=3 653 B7R1.4 N[C@@H]1CCNC1=O CS-0109572 [0,1,0,1,0,0|1,0,0]=3 654 B7R1.4 N[C@H]1CCNC1=O CS-0054164 [0,1,0,1,0,0|1,0,0]=3 655 B7R1.4 O=C1CCC=C1Br CS-0030114 [0,1,0,1,0,0|1,0,1]=4 656 B7R1.4 O=C1CCC=C1I CS-0208620 [0,1,0,1,0,0|1,0,1]=4 657 B7R1.4 O=C1CCCC1=O CS-0072875 [0,1,0,1,0,0|0,0,1]=3 658 B7R1.4 OC1CCCC1Br CS-0527053 [0,1,0,1,0,0|1,0,1]=4 659 B7R1.4 O[C@@H]1CCC[C@H]1F CS-0101190 [0,1,0,1,0,0|1,0,1]=4 660 B7R1.4 O[C@H]1CCC[C@H]1Cl CS-0518472 [0,1,0,1,0,0|1,0,1]=4 661 B7R1.8 O=C1CCC1CO CS-0045469 [0,1,0,1,0,0|2,0,0]=4 662 B7R1.10 CCN1CC(O)C1 CS-0052566 [0,1,0,1,0,0|1,0,1]=4 663 B7R1.10 CCN1CC(O)C1 CS-0053848 [0,1,0,1,0,0|1,0,1]=4 664 B7R1.10 CNC1CC(O)C1 CS-0185360 [0,1,0,1,0,0|1,0,1]=4 665 B7R1.10 CN[C@H]1C[C@@H](O)C1 CS-0183682 [0,1,0,1,0,0|1,0,1]=4 666 B7R1.10 CN[C@H]1C[C@H](O)C1 CS-0047809 [0,1,0,1,0,0|1,0,1]=4 667 B7R1.10 NCC1CC(O)C1 CS-0051730 [0,1,0,1,0,0|1,0,1]=4 668 B7R1.10 NC[C@H]1C[C@@H](O)C1 CS-0021312 [0,1,0,1,0,0|1,0,1]=4 669 B7R1.10 NC[C@H]1C[C@@H](O)C1 CS-0053932 [0,1,0,1,0,0|1,0,1]=4 670 B7R1.10 NC[C@H]1C[C@H](O)C1 CS-0047821 [0,1,0,1,0,0|1,0,1]=4 671 B7R1.10 OC[C@H]1C[C@H](O)C1 CS-0492107 [0,1,0,1,0,0|1,0,1]=4 672 B7R1.22 CCC(=O)C1CC1 CS-0052572 [0,1,0,1,0,0|1,0,0]=3 673 B7R1.22 CNC(=O)C1CC1 CS-0106601 [0,1,0,1,0,0|1,0,0]=3 674 B7R1.22 COC(=O)C1CN1 CS-W016648 [0,1,0,1,0,0|1,0,0]=3 675 B7R1.22 N=C(NN)C1CC1 CS-0252264 [0,1,0,1,0,0|2,0,0]=4 676 B7R1.22 NCC(O)C1CC1 CS-0128613 [0,1,0,1,0,0|1,0,1]=4 677 B7R1.22 N\C(=N/O)C1CC1 CS-0356401 [0,1,0,1,0,0|1,0,0]=3 678 B7R1.22 O=C(O[K])C1CO1 CS-0199501 [0,1,0,1,0,0|1,0,0]=3 679 B7R1.25 OCC1(F)CCC1 CS-0183328 [0,1,0,1,0,0|1,0,1]=4 680 B7R1.16 CC1(C)CC(=O)N1 CS-0046669 [0,1,0,1,0,0|1,0,0]=3 681 B7R1.16 O=S1(=O)CC(O)C1 CS-0051343 [0,1,0,1,0,0|1,0,1]=4 682 B7R1.20 CC(=O)CC1CC1 CS-0342620 [0,1,0,1,0,0|1,0,0]=3 683 B7R1.20 N=C(N)NC1CC1 CS-0261872 [0,1,0,1,0,0|2,0,0]=4 684 B7R1.20 NC(=O)CC1CC1 CS-0055986 [0,1,0,1,0,0|1,0,0]=3 685 B7R1.18 CC(=O)C1COC1 CS-0056978 [0,1,0,1,0,0|1,0,0]=3 686 B7R1.18 CC(O)C1CNC1 CS-0052852 [0,1,0,1,0,0|1,0,1]=4 687 B7R1.18 C[C@H](O)C1CCC1 CS-0144927 [0,1,0,1,0,0|1,0,1]=4 688 B7R1.18 N=C(N)C1CCC1 CS-0049636 [0,1,0,1,0,0|2,0,0]=4 689 B7R1.18 NC(=O)C1CNC1 CS-0053755 [0,1,0,1,0,0|1,0,0]=3 690 B7R1.18 NC(=O)C1CNC1 CS-0247363 [0,1,0,1,0,0|1,0,0]=3 691 B7R1.18 NC(=O)C1CNC1 CS-W000790 [0,1,0,1,0,0|1,0,0]=3 692 B7R1.18 [C@H]1(C(=O)O)CCN1 CS-0044037 [0,1,0,1,0,0|0,0,0]=2 693 B7R1.19 CC1(C(N)=O)CC1 CS-W021360 [0,1,0,1,0,0|1,0,0]=3 694 B7R1.19 NC(=O)C1(F)CC1 CS-0610597 [0,1,0,1,0,0|1,0,0]=3 695 B7R1.19 NC(=O)C1(N)CC1 CS-0052639 [0,1,0,1,0,0|1,0,0]=3 696 B7R1.7 BrCCCC1CO1 CS-0959492 [0,1,0,1,0,0|1,0,1]=4 697 B7R1.14 N=S1(=O)CCCC1 CS-0047312 [0,1,0,1,0,0|2,0,0]=4