0 B5R0.3 C=C(CCl)CCl CS-W011177 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C=C(CO)CO CS-W009247 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 C=CC(O)CO CS-W016675 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 C=C[C@@H](N)CO CS-0089925 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 C=C[C@H](N)CO CS-0088065 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 CC(CBr)CBr CS-0154074 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.3 CC(CCl)CBr CS-0204235 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.3 CC(CN)CO CS-0447291 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.3 CC(CO)CBr CS-0139638 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.3 CC(CO)CO CS-0021060 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.3 CCC(=N)NO CS-D0340 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 CCC(=O)CBr CS-0131119 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.3 CCC(=O)CN CS-W005374 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.3 CCC(=O)CO CS-W005327 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.3 CCC(=O)NC CS-0179730 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 CCC(=O)NN CS-0206618 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.3 CCC(=O)O[K] CS-0019431 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.3 CCC(=O)O[Na] CS-0013802 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 CCC(Br)CC CS-0015742 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.3 CCC(C)C#N CS-0648856 [0,0,0,0,0,0|0,0,2]=2 20 B5R0.3 CCC(C)C#N CS-0649016 [0,0,0,0,0,0|0,0,2]=2 21 B5R0.3 CCC(C)C#N CS-0649019 [0,0,0,0,0,0|0,0,2]=2 22 B5R0.3 CCC(N)C#N CS-0197521 [0,0,0,0,0,0|1,0,2]=3 23 B5R0.3 CCC(N)CC CS-0128806 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.3 CCC(O)CC CS-0128838 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.3 CCC(O)CN CS-0109319 [0,0,0,0,0,0|1,0,0]=1 26 B5R0.3 CCS(=O)CC CS-0199213 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.3 CCS(=O)O[Na] CS-0020098 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.3 CC[C@@H](C)CBr CS-0539690 [0,0,0,0,0,0|1,0,0]=1 29 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,0,0,0,0,0|2,0,0]=2 30 B5R0.3 CC[C@H](C)CO CS-0139702 [0,0,0,0,0,0|1,0,0]=1 31 B5R0.3 CC[C@H](N)CO CS-W013745 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.3 CC[C@H](O)CO CS-0031373 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.3 CNC(=N)NN CS-0371525 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.3 CNC(=O)CBr CS-0023001 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.3 CNC(=O)CCl CS-W007769 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.3 CNC(=O)CI CS-0244983 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.3 CNC(=O)CN CS-0008246 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.3 CNC(=O)CN CS-0130384 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.3 CNC(C)CO CS-0197105 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.3 CN[C@@H](C)CO CS-0139480 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.3 CN[C@@H](C)CO CS-0162089 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.3 CN[C@H](C)CO CS-0162211 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.3 COC(=N)CCl CS-0150960 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.3 COC(=O)CI CS-0235696 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.3 COC(=O)CN CS-W018508 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.3 COC(=O)CO CS-W004068 [0,0,0,0,0,0|3,0,1]=4 47 B5R0.3 COC(=O)NN CS-0015902 [0,0,0,0,0,0|3,0,1]=4 48 B5R0.3 COC(C)C#N CS-0372147 [0,0,0,0,0,0|1,0,2]=3 49 B5R0.3 CON(C)C=O CS-0128675 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.3 CO[C@@H](C)CN CS-W021167 [0,0,0,0,0,0|1,0,0]=1 51 B5R0.3 CO[C@@H](C)CO CS-0096324 [0,0,0,0,0,0|2,0,0]=2 52 B5R0.3 CO[C@H](C)CN CS-0148788 [0,0,0,0,0,0|1,0,0]=1 53 B5R0.3 CO[C@H](C)CN CS-0613352 [0,0,0,0,0,0|1,0,0]=1 54 B5R0.3 CO[C@H](C)CO CS-W011349 [0,0,0,0,0,0|2,0,0]=2 55 B5R0.3 CSC(=N)NN CS-0105940 [0,0,0,0,0,0|3,0,1]=4 56 B5R0.3 CSC(=S)NN CS-0033768 [0,0,0,0,0,0|3,0,1]=4 57 B5R0.3 C[C@@H](CO)CBr CS-0101486 [0,0,0,0,0,0|2,0,0]=2 58 B5R0.3 NC(CO)CO CS-W007357 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.3 NC(CO)CO CS-W011141 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.3 NCC(=O)O[Na] CS-W016662 [0,0,0,0,0,0|3,0,1]=4 61 B5R0.3 NCC(O)CCl CS-W006320 [0,0,0,0,0,0|2,0,0]=2 62 B5R0.3 NCC(O)CN CS-W007600 [0,0,0,0,0,0|2,0,0]=2 63 B5R0.3 NCC(O)CO CS-W002040 [0,0,0,0,0,0|2,0,0]=2 64 B5R0.3 NC[C@@H](F)CO CS-0053486 [0,0,0,0,0,0|2,0,0]=2 65 B5R0.3 NC[C@@H](O)CCl CS-0162224 [0,0,0,0,0,0|2,0,0]=2 66 B5R0.3 NC[C@@H](O)CO CS-W002683 [0,0,0,0,0,0|2,0,0]=2 67 B5R0.3 NC[C@H](F)CO CS-0053431 [0,0,0,0,0,0|2,0,0]=2 68 B5R0.3 NC[C@H](O)CCl CS-W021152 [0,0,0,0,0,0|2,0,0]=2 69 B5R0.3 NNC(=O)CCl CS-0199719 [0,0,0,0,0,0|3,0,1]=4 70 B5R0.3 NNC(=O)CO CS-W006527 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.3 O=C(CBr)CBr CS-W020932 [0,0,0,0,0,0|3,0,1]=4 72 B5R0.3 O=C(CO)CO CS-W019614 [0,0,0,0,0,0|3,0,1]=4 73 B5R0.3 O=CC(O)CO CS-0102543 [0,0,0,0,0,0|3,0,1]=4 74 B5R0.3 OC(CBr)CBr CS-W014808 [0,0,0,0,0,0|3,0,0]=3 75 B5R0.3 OCC(Cl)CO CS-0640889 [0,0,0,0,0,0|3,0,0]=3 76 B5R0.3 OCC(O)CBr CS-W018026 [0,0,0,0,0,0|3,0,0]=3 77 B5R0.3 OCC(O)CO CS-6964 [0,0,0,0,0,0|3,0,0]=3 78 B5R0.3 OCC(O)CS CS-W011288 [0,0,0,0,0,0|3,0,0]=3 79 B5R0.3 OCC(S)CS CS-0013059 [0,0,0,0,0,0|3,0,0]=3 80 B5R0.3 OC[C@@H](O)CCl CS-W018500 [0,0,0,0,0,0|3,0,0]=3 81 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [0,0,0,0,0,0|2,0,0]=2 82 B5R0.3 [C@H](O)(CN)CO CS-W017771 [0,0,0,0,0,0|2,0,0]=2 83 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [0,0,0,0,0,0|3,0,0]=3 84 B4R0.1 C#CC(C)N CS-0072301 [1,0,0,0,0,0|0,0,2]=3 85 B4R0.1 C#C[C@H](C)N CS-0147130 [1,0,0,0,0,0|0,0,2]=3 86 B4R0.1 C#C[C@H](C)O CS-0127970 [1,0,0,0,0,0|1,0,2]=4 87 B4R0.1 C=C(C)CN CS-0204398 [1,0,0,0,0,0|0,0,2]=3 88 B4R0.1 C=CC(C)N CS-0173225 [1,0,0,0,0,0|0,0,2]=3 89 B4R0.1 CC(=O)CN CS-W004850 [1,0,0,0,0,0|1,0,1]=3 90 B4R0.1 CC(=O)CO CS-0017823 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.1 CC(=O)NN CS-D1403 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.1 CC(Br)C#N CS-0020094 [1,0,0,0,0,0|1,0,2]=4 93 B4R0.1 CC(Br)CO CS-0061061 [1,0,0,0,0,0|2,0,0]=3 94 B4R0.1 CC(C)=NO CS-W009556 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.1 CC(C)CN CS-0154223 [1,0,0,0,0,0|0,0,0]=1 96 B4R0.1 CC(C)CN CS-0214073 [1,0,0,0,0,0|0,0,0]=1 97 B4R0.1 CC(C)NO CS-W022923 [1,0,0,0,0,0|2,0,0]=3 98 B4R0.1 CC(C)ON CS-W008733 [1,0,0,0,0,0|1,0,0]=2 99 B4R0.1 CC(N)C#N CS-0095478 [1,0,0,0,0,0|1,0,1]=3 100 B4R0.1 CC(N)CCl CS-0161780 [1,0,0,0,0,0|1,0,0]=2 101 B4R0.1 CC(N)CF CS-0107816 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.1 CC(N)CO CS-W018531 [1,0,0,0,0,0|1,0,0]=2 103 B4R0.1 CC(O)CBr CS-0063182 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.1 CC(O)CN CS-W016685 [1,0,0,0,0,0|1,0,0]=2 105 B4R0.1 CC(O)CO CS-0015917 [1,0,0,0,0,0|2,0,0]=3 106 B4R0.1 CCB(O)O CS-W000933 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.1 CCC(=N)N CS-W019290 [1,0,0,0,0,0|1,0,1]=3 108 B4R0.1 CCC(=N)S CS-W016672 [1,0,0,0,0,0|1,0,2]=4 109 B4R0.1 CCC(N)=O CS-W016688 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.1 CC[C@@H](C)N CS-0379054 [1,0,0,0,0,0|0,0,0]=1 111 B4R0.1 CC[C@@H](C)O CS-0128797 [1,0,0,0,0,0|1,0,0]=2 112 B4R0.1 CC[C@H](C)N CS-0084847 [1,0,0,0,0,0|0,0,0]=1 113 B4R0.1 CNC(=N)N CS-W005028 [1,0,0,0,0,0|2,0,1]=4 114 B4R0.1 CNC(C)=O CS-0031873 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.1 CNC(N)=O CS-W016687 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.1 CNN(C)C CS-M2145 [1,0,0,0,0,0|2,0,0]=3 117 B4R0.1 COC(=N)N CS-0114088 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.1 COC(=N)N CS-W017615 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.1 COC(=N)N CS-W019574 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.1 COC(N)=O CS-0017839 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.1 CSC(=N)N CS-0011749 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.1 CSC(=N)N CS-0134406 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.1 CSC(=N)N CS-0199730 [1,0,0,0,0,0|2,0,1]=4 124 B4R0.1 C[C@@H](Cl)CO CS-0186126 [1,0,0,0,0,0|2,0,0]=3 125 B4R0.1 C[C@@H](N)CF CS-0104382 [1,0,0,0,0,0|1,0,0]=2 126 B4R0.1 C[C@@H](N)CN CS-W018220 [1,0,0,0,0,0|1,0,0]=2 127 B4R0.1 C[C@@H](N)CO CS-W011362 [1,0,0,0,0,0|1,0,0]=2 128 B4R0.1 C[C@@H](O)CN CS-W002295 [1,0,0,0,0,0|1,0,0]=2 129 B4R0.1 C[C@@H](O)CO CS-W020032 [1,0,0,0,0,0|2,0,0]=3 130 B4R0.1 C[C@H](N)CF CS-0090252 [1,0,0,0,0,0|1,0,0]=2 131 B4R0.1 C[C@H](N)CO CS-B1303 [1,0,0,0,0,0|1,0,0]=2 132 B4R0.1 C[C@H](O)CN CS-W019029 [1,0,0,0,0,0|1,0,0]=2 133 B4R0.1 C[C@H](O)CO CS-0011520 [1,0,0,0,0,0|2,0,0]=3 134 B4R0.1 N=C(N)CCl CS-W000829 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.1 NC(=O)CBr CS-W007330 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.1 NC(=O)CI CS-0020050 [1,0,0,0,0,0|2,0,1]=4 137 B4R0.1 NC(=O)CO CS-W016686 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.1 NCC(=O)O CS-0158475 [1,0,0,0,0,0|2,0,1]=4 139 B4R0.1 NCC(=O)O CS-0187433 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.1 NCC(=O)O CS-B1641 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.1 NCC(F)F CS-0121259 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.1 NCC(N)=O CS-0149938 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.1 NCC(N)=O CS-W019695 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.1 [C@@H](C)(Cl)CO CS-W016664 [1,0,0,0,0,0|2,0,0]=3 145 B4R0.1 [C@@H](C)(N)CN CS-W008537 [1,0,0,0,0,0|1,0,0]=2 146 B4R0.1 [C@H](C)(O)CCl CS-W005784 [1,0,0,0,0,0|2,0,0]=3 147 B4R0.2 BrCCCI CS-0199040 [1,0,0,0,0,0|2,0,0]=3 148 B4R0.2 C#CCCBr CS-0147245 [1,0,0,0,0,0|1,0,2]=4 149 B4R0.2 C#CCCI CS-0088596 [1,0,0,0,0,0|1,0,2]=4 150 B4R0.2 C#CCCN CS-0059198 [1,0,0,0,0,0|0,0,2]=3 151 B4R0.2 C#CCCO CS-W001947 [1,0,0,0,0,0|1,0,2]=4 152 B4R0.2 C#CCNN CS-0934814 [1,0,0,0,0,0|1,0,2]=4 153 B4R0.2 C#CCON CS-B1211 [1,0,0,0,0,0|1,0,2]=4 154 B4R0.2 C=CCCI CS-0139149 [1,0,0,0,0,0|1,0,2]=4 155 B4R0.2 C=CCCN CS-0028781 [1,0,0,0,0,0|0,0,2]=3 156 B4R0.2 C=CCNN CS-0465740 [1,0,0,0,0,0|1,0,2]=4 157 B4R0.2 C=CCON CS-0010194 [1,0,0,0,0,0|1,0,2]=4 158 B4R0.2 CC#CCN CS-0307944 [1,0,0,0,0,0|0,0,2]=3 159 B4R0.2 CC#CCO CS-B1382 [1,0,0,0,0,0|1,0,2]=4 160 B4R0.2 CCCCN CS-0214149 [1,0,0,0,0,0|0,0,0]=1 161 B4R0.2 CCCNN CS-0152064 [1,0,0,0,0,0|1,0,0]=2 162 B4R0.2 CCNC=O CS-0187584 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.2 CCNCC CS-0160324 [1,0,0,0,0,0|2,0,0]=3 164 B4R0.2 CCOC=N CS-0333913 [1,0,0,0,0,0|1,0,2]=4 165 B4R0.2 CNCC#N CS-W002073 [1,0,0,0,0,0|1,0,2]=4 166 B4R0.2 CNCCBr CS-0042068 [1,0,0,0,0,0|2,0,0]=3 167 B4R0.2 CNCCCl CS-W019383 [1,0,0,0,0,0|2,0,0]=3 168 B4R0.2 CNCCO CS-0542090 [1,0,0,0,0,0|2,0,0]=3 169 B4R0.2 CNCCO CS-W008875 [1,0,0,0,0,0|2,0,0]=3 170 B4R0.2 COCC#N CS-0128800 [1,0,0,0,0,0|1,0,2]=4 171 B4R0.2 COCCBr CS-0015336 [1,0,0,0,0,0|2,0,0]=3 172 B4R0.2 COCCI CS-0139205 [1,0,0,0,0,0|2,0,0]=3 173 B4R0.2 COCCO CS-0179325 [1,0,0,0,0,0|2,0,0]=3 174 B4R0.2 COCCO CS-0200432 [1,0,0,0,0,0|2,0,0]=3 175 B4R0.2 CSCCN CS-0063136 [1,0,0,0,0,0|1,0,0]=2 176 B4R0.2 CSCCO CS-0150086 [1,0,0,0,0,0|2,0,0]=3 177 B4R0.2 CSCSC CS-W013673 [1,0,0,0,0,0|3,0,0]=4 178 B4R0.2 ClCCCI CS-W018493 [1,0,0,0,0,0|2,0,0]=3 179 B4R0.2 FCCCI CS-0121313 [1,0,0,0,0,0|2,0,0]=3 180 B4R0.2 ICCCI CS-W012156 [1,0,0,0,0,0|2,0,0]=3 181 B4R0.2 N#CCCI CS-0243866 [1,0,0,0,0,0|1,0,2]=4 182 B4R0.2 N#CCCN CS-D1507 [1,0,0,0,0,0|1,0,1]=3 183 B4R0.2 N#CCCO CS-W001263 [1,0,0,0,0,0|1,0,2]=4 184 B4R0.2 NCCCBr CS-W008585 [1,0,0,0,0,0|1,0,0]=2 185 B4R0.2 NCCCCl CS-0015792 [1,0,0,0,0,0|1,0,0]=2 186 B4R0.2 NCCCN CS-0214047 [1,0,0,0,0,0|1,0,0]=2 187 B4R0.2 NCCCN CS-0214116 [1,0,0,0,0,0|1,0,0]=2 188 B4R0.2 NCCCO CS-W020089 [1,0,0,0,0,0|1,0,0]=2 189 B4R0.2 NCCON CS-M2746 [1,0,0,0,0,0|2,0,0]=3 190 B4R0.2 NOCCO CS-W011361 [1,0,0,0,0,0|2,0,0]=3 191 B4R0.2 OCCCBr CS-W007337 [1,0,0,0,0,0|2,0,0]=3 192 B4R0.2 OCCCF CS-0170820 [1,0,0,0,0,0|2,0,0]=3 193 B4R0.2 OCCCI CS-W015993 [1,0,0,0,0,0|2,0,0]=3 194 B4R0.2 OCCCO CS-W018490 [1,0,0,0,0,0|2,0,0]=3 195 B6R0.1 C#CC(O)CCC CS-W016658 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.1 C=CCC(N)CO CS-0197807 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.1 C=CC[C@@H](N)CO CS-0162183 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.1 CC(CO)CCN CS-0154050 [0,1,0,0,0,0|1,0,0]=2 199 B6R0.1 CC(CO)CCO CS-0517219 [0,1,0,0,0,0|1,0,0]=2 200 B6R0.1 CCC(=O)COC CS-0213932 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.1 CCCC(=O)NN CS-0152447 [0,1,0,0,0,0|2,0,1]=4 202 B6R0.1 CCCC(Cl)CC CS-0102884 [0,1,0,0,0,0|2,0,0]=3 203 B6R0.1 CCCC(N)C#N CS-0255763 [0,1,0,0,0,0|1,0,2]=4 204 B6R0.1 CCCC(O)CO CS-0017222 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,1,0,0,0,0|2,0,0]=3 206 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,1,0,0,0,0|2,0,0]=3 207 B6R0.1 CCNC(=O)CBr CS-0239382 [0,1,0,0,0,0|2,0,1]=4 208 B6R0.1 CCOC(=O)CN CS-W020007 [0,1,0,0,0,0|1,0,1]=3 209 B6R0.1 CCOC(=O)CO CS-W019892 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.1 CCOC(=O)NN CS-W008412 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.1 CCOC(C)CC CS-0196425 [0,1,0,0,0,0|1,0,0]=2 212 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,1,0,0,0,0|2,0,1]=4 213 B6R0.1 CNC(C)COC CS-0301311 [0,1,0,0,0,0|2,0,0]=3 214 B6R0.1 CNCC(O)CO CS-0151017 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.1 COC(=O)CCN CS-W007648 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.1 COC(C)CCO CS-W013686 [0,1,0,0,0,0|2,0,0]=3 217 B6R0.1 COCC(=O)NN CS-W005634 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.1 COCC(N)CO CS-0106469 [0,1,0,0,0,0|2,0,0]=3 219 B6R0.1 COCC(O)CN CS-0106474 [0,1,0,0,0,0|1,0,0]=2 220 B6R0.1 N#CC[C@H](O)CCl CS-0096879 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.1 NNC(=O)CCS CS-0513962 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.1 OCCC(O)CO CS-0008443 [0,1,0,0,0,0|2,0,0]=3 223 B6R0.1 OCC[C@H](O)CO CS-0000034 [0,1,0,0,0,0|2,0,0]=3 224 B6R0.1 [C@H](O)(CCl)CC#N CS-W016583 [0,1,0,0,0,0|2,0,1]=4 225 B6R0.3 C#CC(O)C(C)C CS-0207469 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.3 C=C(I)[C@H](C)CI CS-M3569 [0,1,0,0,0,0|1,0,2]=4 227 B6R0.3 C=C[C@@H](C)[C@@H](C)O CS-0368397 [0,1,0,0,0,0|1,0,1]=3 228 B6R0.3 C=C[C@H](C)[C@H](C)O CS-0368404 [0,1,0,0,0,0|1,0,1]=3 229 B6R0.3 CC(C)C(=O)CBr CS-0020096 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.3 CC(C)C(=O)NN CS-0053723 [0,1,0,0,0,0|2,0,1]=4 231 B6R0.3 CC(C)C(N)C#N CS-0255764 [0,1,0,0,0,0|1,0,2]=4 232 B6R0.3 CC(C)C(N)CO CS-W004906 [0,1,0,0,0,0|2,0,0]=3 233 B6R0.3 CC(C)C(O)CN CS-0129685 [0,1,0,0,0,0|1,0,0]=2 234 B6R0.3 CC(C)[C@@H](N)CO CS-D0610 [0,1,0,0,0,0|2,0,0]=3 235 B6R0.3 CC(C)[C@H](N)CO CS-W020370 [0,1,0,0,0,0|2,0,0]=3 236 B6R0.3 CC(CBr)C(=O)O CS-W016048 [0,1,0,0,0,0|2,0,1]=4 237 B6R0.3 CC(CN)C(=O)O CS-W013690 [0,1,0,0,0,0|1,0,1]=3 238 B6R0.3 CCC(Br)C(N)=O CS-0152635 [0,1,0,0,0,0|1,0,1]=3 239 B6R0.3 CCC(C)B(O)O CS-W011315 [0,1,0,0,0,0|2,0,0]=3 240 B6R0.3 CCC(N)C(=O)O CS-W011306 [0,1,0,0,0,0|2,0,1]=4 241 B6R0.3 CCC(N)C(N)=O CS-0197483 [0,1,0,0,0,0|1,0,1]=3 242 B6R0.3 CCC(O)C(N)=O CS-0232591 [0,1,0,0,0,0|1,0,1]=3 243 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [0,1,0,0,0,0|1,0,1]=3 245 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [0,1,0,0,0,0|2,0,1]=4 246 B6R0.3 CC[C@@H](N)C(N)=O CS-0011806 [0,1,0,0,0,0|1,0,1]=3 247 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [0,1,0,0,0,0|2,0,1]=4 248 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [0,1,0,0,0,0|2,0,1]=4 249 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [0,1,0,0,0,0|1,0,1]=3 250 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [0,1,0,0,0,0|2,0,1]=4 251 B6R0.3 CC[C@H](N)C(N)=O CS-0011803 [0,1,0,0,0,0|1,0,1]=3 252 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [0,1,0,0,0,0|1,0,1]=3 253 B6R0.3 CC[C@H](N)[C@@H](C)O CS-0183871 [0,1,0,0,0,0|2,0,0]=3 254 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [0,1,0,0,0,0|2,0,1]=4 255 B6R0.3 CN(C)C(=O)CN CS-0041045 [0,1,0,0,0,0|2,0,1]=4 256 B6R0.3 CN(C)C(=O)CN CS-B0440 [0,1,0,0,0,0|2,0,1]=4 257 B6R0.3 CN(C)C(=O)CN CS-W003959 [0,1,0,0,0,0|2,0,1]=4 258 B6R0.3 CNC(=O)C(C)N CS-0154032 [0,1,0,0,0,0|2,0,1]=4 259 B6R0.3 CNC(=O)[C@@H](C)N CS-0169315 [0,1,0,0,0,0|2,0,1]=4 260 B6R0.3 CNC(=O)[C@H](C)N CS-0169314 [0,1,0,0,0,0|2,0,1]=4 261 B6R0.3 CNC(C)C(=O)O CS-W011307 [0,1,0,0,0,0|2,0,1]=4 262 B6R0.3 CNC(C)C(C)C CS-W000156 [0,1,0,0,0,0|2,0,0]=3 263 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [0,1,0,0,0,0|2,0,1]=4 264 B6R0.3 COC(=O)C(C)N CS-W011040 [0,1,0,0,0,0|2,0,1]=4 265 B6R0.3 COC(=O)[C@H](C)N CS-W008772 [0,1,0,0,0,0|2,0,1]=4 266 B6R0.3 COC(C)C(=O)O CS-W004806 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [0,1,0,0,0,0|2,0,1]=4 268 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [0,1,0,0,0,0|1,0,1]=3 269 B6R0.3 C[C@@H](CN)C(=O)O CS-0062338 [0,1,0,0,0,0|1,0,1]=3 270 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [0,1,0,0,0,0|1,0,1]=3 271 B6R0.3 C[C@H](CN)C(=O)O CS-0444634 [0,1,0,0,0,0|1,0,1]=3 272 B6R0.3 NC(=O)C(Br)CBr CS-0013982 [0,1,0,0,0,0|2,0,1]=4 273 B6R0.3 NC(=O)[C@@H](N)CO CS-W008254 [0,1,0,0,0,0|2,0,1]=4 274 B6R0.3 NC(=O)[C@H](N)CO CS-0158516 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.3 NCC(F)C(=O)O CS-W011291 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.3 NCC(N)C(=O)O CS-0130703 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.3 NCC(N)C(=O)O CS-W014390 [0,1,0,0,0,0|2,0,1]=4 278 B6R0.3 NCC(O)C(=O)O CS-W013682 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.3 NC[C@@H](N)C(=O)O CS-0311806 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.3 NC[C@@H](N)C(=O)O CS-W011028 [0,1,0,0,0,0|2,0,1]=4 281 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [0,1,0,0,0,0|2,0,1]=4 282 B6R0.3 NC[C@H](N)C(=O)O CS-W014389 [0,1,0,0,0,0|2,0,1]=4 283 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [0,1,0,0,0,0|2,0,1]=4 284 B6R0.3 [C@@H](C)(O)[C@@H](N)CO CS-W008521 [0,1,0,0,0,0|2,0,0]=3 285 B6R0.3 [C@H](C)(N)C(=O)OC CS-W007986 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.3 [C@H](C)(O)[C@H](N)CO CS-W013681 [0,1,0,0,0,0|2,0,0]=3 287 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [0,1,0,0,0,0|2,0,1]=4 288 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [0,1,0,0,0,0|2,0,1]=4 289 B6R0.3 [C@H](O)(CN)C(=O)O CS-W013683 [0,1,0,0,0,0|2,0,1]=4 290 B6R0.8 C#CC(C)(N)CC CS-W003636 [0,1,0,0,0,0|1,0,1]=3 291 B6R0.8 CC(C)(C#N)CO CS-W018923 [0,1,0,0,0,0|1,0,2]=4 292 B6R0.8 CC(C)(CBr)CBr CS-W004189 [0,1,0,0,0,0|2,0,0]=3 293 B6R0.8 CC(C)(CN)CN CS-0077143 [0,1,0,0,0,0|1,0,0]=2 294 B6R0.8 CC(C)(CN)CO CS-W008239 [0,1,0,0,0,0|1,0,0]=2 295 B6R0.8 CC(C)(CO)CBr CS-0043654 [0,1,0,0,0,0|2,0,0]=3 296 B6R0.8 CC(C)(CO)CCl CS-W011189 [0,1,0,0,0,0|2,0,0]=3 297 B6R0.8 CC(N)(CO)CO CS-W017770 [0,1,0,0,0,0|2,0,0]=3 298 B6R0.8 CCC(C)(C)CN CS-0590202 [0,1,0,0,0,0|0,0,0]=1 299 B6R0.8 CCC(C)(C)O[K] CS-0636232 [0,1,0,0,0,0|2,0,0]=3 300 B6R0.8 CCS(=O)(=O)CC CS-0376644 [0,1,0,0,0,0|3,0,0]=4 301 B6R0.8 CNC(C)(C)CO CS-W018699 [0,1,0,0,0,0|2,0,0]=3 302 B6R0.8 COC(C)(C)CO CS-0146594 [0,1,0,0,0,0|2,0,0]=3 303 B6R0.8 C[Si](C)(CN)CCl CS-0618088 [0,1,0,0,0,0|1,1,0]=3 304 B6R0.8 NCC(F)(F)CN CS-0038484 [0,1,0,0,0,0|2,0,0]=3 305 B6R0.8 NCC(F)(F)CO CS-B1180 [0,1,0,0,0,0|2,0,0]=3 306 B6R0.8 OCC(F)(F)CO CS-0094694 [0,1,0,0,0,0|3,0,0]=4 307 B6R0.9 CCC(CC)CBr CS-0132321 [0,1,0,0,0,0|1,0,0]=2 308 B6R0.9 CCC(CC)NN CS-0210677 [0,1,0,0,0,0|1,0,0]=2 309 B6R0.9 CCN(C=O)CC CS-W009551 [0,1,0,0,0,0|2,0,1]=4 310 B6R0.9 CCN(CC)CC CS-0152028 [0,1,0,0,0,0|2,0,0]=3 311 B6R0.9 CCN(CC)CC CS-0187700 [0,1,0,0,0,0|2,0,0]=3 312 B6R0.9 CCN(CC)CC CS-0199232 [0,1,0,0,0,0|2,0,0]=3 313 B6R0.9 CCN(CC)N=O CS-0128799 [0,1,0,0,0,0|3,0,0]=4 314 B6R0.9 COC(CBr)OC CS-W018536 [0,1,0,0,0,0|2,0,0]=3 315 B6R0.9 COC(CN)OC CS-0015304 [0,1,0,0,0,0|1,0,0]=2 316 B6R0.9 COC(CO)OC CS-W011294 [0,1,0,0,0,0|2,0,0]=3 317 B6R0.9 OCC(CO)CO CS-W005889 [0,1,0,0,0,0|2,0,0]=3 318 B6R1.2 BrC1CCNC1 CS-W005728 [0,0,0,1,0,0|1,0,0]=2 319 B6R1.2 BrC1CCOC1 CS-W004035 [0,0,0,1,0,0|2,0,0]=3 320 B6R1.2 CC1CCNC1 CS-W021968 [0,0,0,1,0,0|0,0,0]=1 321 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [0,0,0,1,0,0|2,0,0]=3 322 B6R1.2 C[C@H]1CCNC1 CS-0040457 [0,0,0,1,0,0|0,0,0]=1 323 B6R1.2 FC1CCNC1 CS-W005668 [0,0,0,1,0,0|1,0,0]=2 324 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [0,0,0,1,0,0|1,0,0]=2 325 B6R1.2 IC1CCCC1 CS-0067150 [0,0,0,1,0,0|2,0,0]=3 326 B6R1.2 IC1CCOC1 CS-W004266 [0,0,0,1,0,0|2,0,0]=3 327 B6R1.2 I[C@@H]1CCOC1 CS-0055199 [0,0,0,1,0,0|2,0,0]=3 328 B6R1.2 I[C@H]1CCOC1 CS-0053265 [0,0,0,1,0,0|2,0,0]=3 329 B6R1.2 NC1CC=CC1 CS-W022621 [0,0,0,1,0,0|2,0,1]=4 330 B6R1.2 NC1CCNC1 CS-W016190 [0,0,0,1,0,0|1,0,0]=2 331 B6R1.2 NC1CCOC1 CS-D1564 [0,0,0,1,0,0|2,0,0]=3 332 B6R1.2 NC1CCOC1 CS-W011353 [0,0,0,1,0,0|2,0,0]=3 333 B6R1.2 N[C@@H]1CCNC1 CS-W010887 [0,0,0,1,0,0|1,0,0]=2 334 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [0,0,0,1,0,0|2,0,0]=3 335 B6R1.2 N[C@H]1CCNC1 CS-W013278 [0,0,0,1,0,0|1,0,0]=2 336 B6R1.2 N[C@H]1CCOC1 CS-W019697 [0,0,0,1,0,0|2,0,0]=3 337 B6R1.2 O=C1CCNC1 CS-W005267 [0,0,0,1,0,0|1,0,1]=3 338 B6R1.2 O=C1CCNN1 CS-W001151 [0,0,0,1,0,0|2,0,1]=4 339 B6R1.2 O=C1CCOC1 CS-D1574 [0,0,0,1,0,0|2,0,1]=4 340 B6R1.2 O=C1CCSC1 CS-W011310 [0,0,0,1,0,0|2,0,1]=4 341 B6R1.2 O=S1CCCC1 CS-0207394 [0,0,0,1,0,0|3,0,0]=4 342 B6R1.2 OC1C=CCC1 CS-0451001 [0,0,0,1,0,0|2,0,1]=4 343 B6R1.2 OC1CC=CC1 CS-W002682 [0,0,0,1,0,0|2,0,1]=4 344 B6R1.2 OC1CCNC1 CS-W002985 [0,0,0,1,0,0|1,0,0]=2 345 B6R1.2 OC1CCNC1 CS-W022946 [0,0,0,1,0,0|1,0,0]=2 346 B6R1.2 OC1CCOC1 CS-M0786 [0,0,0,1,0,0|2,0,0]=3 347 B6R1.2 OC1CCSC1 CS-0185375 [0,0,0,1,0,0|2,0,0]=3 348 B6R1.2 OC1CNOC1 CS-0271204 [0,0,0,1,0,0|2,0,0]=3 349 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,0,0,1,0,0|1,0,0]=2 350 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,0,0,1,0,0|1,0,0]=2 351 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,0,0,1,0,0|2,0,0]=3 352 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,0,0,1,0,0|1,0,0]=2 353 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,0,0,1,0,0|1,0,0]=2 354 B6R1.2 O[C@H]1CCOC1 CS-D0600 [0,0,0,1,0,0|2,0,0]=3 355 B6R1.2 O[C@H]1CNOC1 CS-0060087 [0,0,0,1,0,0|2,0,0]=3 356 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,0,0,1,0,0|0,0,0]=1 357 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,0,0,1,0,0|1,0,0]=2 358 B6R1.4 CC1OCC1=O CS-0051833 [0,0,0,1,0,0|2,0,1]=4 359 B6R1.4 C[C@@H]1NC[C@@H]1O CS-0172767 [0,0,0,1,0,0|1,0,0]=2 360 B6R1.4 NC1CCC1F CS-0505919 [0,0,0,1,0,0|1,0,0]=2 361 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [0,0,0,1,0,0|1,0,0]=2 362 B6R1.4 O=C1CCC1Br CS-0147268 [0,0,0,1,0,0|2,0,1]=4 363 B6R1.6 BrCC1CCC1 CS-0015296 [0,0,0,1,0,0|1,0,0]=2 364 B6R1.6 BrCC1COC1 CS-W018850 [0,0,0,1,0,0|2,0,0]=3 365 B6R1.6 CNC1CCC1 CS-0054580 [0,0,0,1,0,0|2,0,0]=3 366 B6R1.6 CNC1CNC1 CS-0043910 [0,0,0,1,0,0|1,0,0]=2 367 B6R1.6 CNC1COC1 CS-0040193 [0,0,0,1,0,0|2,0,0]=3 368 B6R1.6 COC1CNC1 CS-W008894 [0,0,0,1,0,0|1,0,0]=2 369 B6R1.6 CSC1CNC1 CS-0051673 [0,0,0,1,0,0|1,0,0]=2 370 B6R1.6 FCC1CNC1 CS-0085106 [0,0,0,1,0,0|1,0,0]=2 371 B6R1.6 ICC1CCC1 CS-0053096 [0,0,0,1,0,0|1,0,0]=2 372 B6R1.6 ICC1CCO1 CS-0052227 [0,0,0,1,0,0|2,0,0]=3 373 B6R1.6 ICC1COC1 CS-0045504 [0,0,0,1,0,0|2,0,0]=3 374 B6R1.6 N#CC1CCC1 CS-0007644 [0,0,0,1,0,0|0,0,2]=3 375 B6R1.6 N#CC1CNC1 CS-W018612 [0,0,0,1,0,0|1,0,1]=3 376 B6R1.6 N#CC1COC1 CS-0043332 [0,0,0,1,0,0|1,0,2]=4 377 B6R1.6 NCC1CCC1 CS-W004986 [0,0,0,1,0,0|0,0,0]=1 378 B6R1.6 NCC1CCO1 CS-0048767 [0,0,0,1,0,0|1,0,0]=2 379 B6R1.6 NCC1CNC1 CS-W022574 [0,0,0,1,0,0|1,0,0]=2 380 B6R1.6 NCC1COC1 CS-W008698 [0,0,0,1,0,0|1,0,0]=2 381 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [0,0,0,1,0,0|1,0,0]=2 382 B6R1.6 NNC1CCC1 CS-0054590 [0,0,0,1,0,0|1,0,0]=2 383 B6R1.6 NNC1CCC1 CS-D1710 [0,0,0,1,0,0|1,0,0]=2 384 B6R1.6 NNC1COC1 CS-0187598 [0,0,0,1,0,0|2,0,0]=3 385 B6R1.6 O=CC1COC1 CS-0048764 [0,0,0,1,0,0|2,0,1]=4 386 B6R1.6 OCC1CCC1 CS-W001922 [0,0,0,1,0,0|1,0,0]=2 387 B6R1.6 OCC1CCN1 CS-0049913 [0,0,0,1,0,0|2,0,0]=3 388 B6R1.6 OCC1CCO1 CS-W019194 [0,0,0,1,0,0|2,0,0]=3 389 B6R1.6 OCC1CNC1 CS-D1756 [0,0,0,1,0,0|1,0,0]=2 390 B6R1.7 C#CC1(N)CC1 CS-B0936 [0,0,0,1,0,0|2,0,1]=4 391 B6R1.7 CC1(CCl)CO1 CS-0089843 [0,0,0,1,0,0|2,0,0]=3 392 B6R1.7 CC1(CN)CC1 CS-0037189 [0,0,0,1,0,0|0,0,0]=1 393 B6R1.7 CC1(CO)CC1 CS-W000081 [0,0,0,1,0,0|1,0,0]=2 394 B6R1.7 N#CC1(N)CC1 CS-D0921 [0,0,0,1,0,0|1,0,2]=4 395 B6R1.7 NC1(CF)CC1 CS-0139594 [0,0,0,1,0,0|2,0,0]=3 396 B6R1.7 NC1(CO)CC1 CS-0040895 [0,0,0,1,0,0|2,0,0]=3 397 B6R1.7 NC1(CO)CC1 CS-D0148 [0,0,0,1,0,0|2,0,0]=3 398 B6R1.7 NCC1(O)CC1 CS-W005471 [0,0,0,1,0,0|1,0,0]=2 399 B6R1.7 OCC1(F)CC1 CS-W000077 [0,0,0,1,0,0|2,0,0]=3 400 B6R1.7 OCC1(O)CC1 CS-0037029 [0,0,0,1,0,0|2,0,0]=3 401 B6R1.8 C=C1CC1CO CS-0054284 [0,0,0,1,0,0|1,0,2]=4 402 B3R0.1 CCCN CS-0079898 [2,0,0,0,0,0|0,0,0]=2 403 B3R0.1 CCCN CS-0203559 [2,0,0,0,0,0|0,0,0]=2 404 B3R0.1 CCC[O-] CS-0636169 [2,0,0,0,0,0|1,0,0]=3 405 B3R0.1 CCNC CS-0158300 [2,0,0,0,0,0|1,0,0]=3 406 B3R0.1 CCNN CS-0151959 [2,0,0,0,0,0|1,0,0]=3 407 B3R0.1 CCNN CS-0160233 [2,0,0,0,0,0|1,0,0]=3 408 B3R0.1 CCNO CS-0370696 [2,0,0,0,0,0|2,0,0]=4 409 B3R0.1 CCON CS-0017502 [2,0,0,0,0,0|1,0,0]=3 410 B3R0.1 CCON CS-W011335 [2,0,0,0,0,0|1,0,0]=3 411 B3R0.1 CNNC CS-0530458 [2,0,0,0,0,0|2,0,0]=4 412 B3R0.1 CNOC CS-D1361 [2,0,0,0,0,0|2,0,0]=4 413 B3R0.1 C[Se][Se]C CS-0199215 [2,0,0,0,0,0|2,0,0]=4 414 B3R0.1 ICCI CS-0143351 [2,0,0,0,0,0|2,0,0]=4 415 B3R0.1 N#CCN CS-W013739 [2,0,0,0,0,0|1,0,1]=4 416 B3R0.1 NCCBr CS-W008659 [2,0,0,0,0,0|1,0,0]=3 417 B3R0.1 NCCCl CS-W013617 [2,0,0,0,0,0|1,0,0]=3 418 B3R0.1 NCCF CS-W007788 [2,0,0,0,0,0|1,0,0]=3 419 B3R0.1 NCCO CS-0088236 [2,0,0,0,0,0|1,0,0]=3 420 B3R0.1 NCCS CS-2800 [2,0,0,0,0,0|1,0,0]=3 421 B3R0.1 OCCI CS-W017637 [2,0,0,0,0,0|2,0,0]=4 422 B3R0.1 OCCO CS-0015059 [2,0,0,0,0,0|2,0,0]=4 423 B3R0.1 OCCO CS-0015844 [2,0,0,0,0,0|2,0,0]=4 424 B3R0.1 OCCO CS-0676146 [2,0,0,0,0,0|2,0,0]=4 425 B3R0.1 OCCO CS-0864542 [2,0,0,0,0,0|2,0,0]=4 426 B3R0.1 OCCO CS-0907650 [2,0,0,0,0,0|2,0,0]=4 427 B3R0.1 OCCO CS-0998158 [2,0,0,0,0,0|2,0,0]=4 428 B3R0.1 OCCO CS-1053456 [2,0,0,0,0,0|2,0,0]=4 429 B3R0.2 C=[N+](C)C CS-0132319 [2,0,0,0,0,0|1,0,1]=4 430 B3R0.2 CC(=N)N CS-0850442 [2,0,0,0,0,0|1,0,1]=4 431 B3R0.2 CC(C)C CS-0035161 [2,0,0,0,0,0|0,0,0]=2 432 B3R0.2 CC(C)N CS-0154205 [2,0,0,0,0,0|0,0,0]=2 433 B3R0.2 CC(C)N CS-0182206 [2,0,0,0,0,0|0,0,0]=2 434 B3R0.2 CC(N)=O CS-0015934 [2,0,0,0,0,0|1,0,1]=4 435 B3R0.2 CC(N)=S CS-W018499 [2,0,0,0,0,0|1,0,1]=4 436 B3R0.2 CN(C)C CS-0204256 [2,0,0,0,0,0|1,0,0]=3 437 B3R0.2 CN(C)C CS-D1390 [2,0,0,0,0,0|1,0,0]=3 438 B3R0.2 CS(C)=O CS-B1637 [2,0,0,0,0,0|2,0,0]=4 439 B3R0.2 C[Cr](C)C CS-0137821 [2,0,0,0,0,0|1,0,0]=3 440 B3R0.2 C[In](C)C CS-0111736 [2,0,0,0,0,0|1,0,0]=3 441 B3R0.2 C[S+](C)Br CS-0311610 [2,0,0,0,0,0|2,0,0]=4 442 B3R0.2 C[S+](C)C CS-0128440 [2,0,0,0,0,0|1,0,0]=3 443 B3R0.2 C[S+](C)C CS-W008974 [2,0,0,0,0,0|1,0,0]=3 444 B5R0.1 C=CC[C@H](C)O CS-0081915 [1,1,0,0,0,0|1,0,1]=4 445 B5R0.1 CC(=O)CCCl CS-W022162 [1,1,0,0,0,0|1,0,1]=4 446 B5R0.1 CC(=O)CCN CS-0209803 [1,1,0,0,0,0|1,0,1]=4 447 B5R0.1 CC(C)=CCCl CS-0204351 [1,1,0,0,0,0|0,0,2]=4 448 B5R0.1 CC(C)=CCN CS-0236946 [1,1,0,0,0,0|0,0,1]=3 449 B5R0.1 CC(C)=CCO CS-W013751 [1,1,0,0,0,0|0,0,2]=4 450 B5R0.1 CC(C)CNN CS-0067938 [1,1,0,0,0,0|0,0,0]=2 451 B5R0.1 CC(C)CON CS-0136014 [1,1,0,0,0,0|0,0,0]=2 452 B5R0.1 CC(C)\C=N\O CS-W000111 [1,1,0,0,0,0|0,0,2]=4 453 B5R0.1 CC(N)CCO CS-W004841 [1,1,0,0,0,0|0,0,0]=2 454 B5R0.1 CC(O)CC#N CS-0261013 [1,1,0,0,0,0|1,0,1]=4 455 B5R0.1 CC(O)CCBr CS-0142519 [1,1,0,0,0,0|1,0,0]=3 456 B5R0.1 CC(O)CCO CS-0115644 [1,1,0,0,0,0|1,0,0]=3 457 B5R0.1 CCCC(=N)N CS-W013544 [1,1,0,0,0,0|1,0,1]=4 458 B5R0.1 CCCC(N)=O CS-0130522 [1,1,0,0,0,0|1,0,1]=4 459 B5R0.1 CCC[C@@H](C)N CS-0162182 [1,1,0,0,0,0|0,0,0]=2 460 B5R0.1 CCC[C@H](C)N CS-W006528 [1,1,0,0,0,0|0,0,0]=2 461 B5R0.1 CCNC(N)=O CS-W011351 [1,1,0,0,0,0|1,0,1]=4 462 B5R0.1 CCNC(N)=S CS-0180914 [1,1,0,0,0,0|1,0,1]=4 463 B5R0.1 CCOC(=N)N CS-W019160 [1,1,0,0,0,0|1,0,1]=4 464 B5R0.1 CCOC(C)=N CS-W008601 [1,1,0,0,0,0|0,0,2]=4 465 B5R0.1 CCOC(N)=O CS-4731 [1,1,0,0,0,0|1,0,1]=4 466 B5R0.1 CCSC(=N)N CS-0021039 [1,1,0,0,0,0|1,0,1]=4 467 B5R0.1 CN(C)CCBr CS-W004693 [1,1,0,0,0,0|1,0,0]=3 468 B5R0.1 CNCC(C)O CS-0216704 [1,1,0,0,0,0|1,0,0]=3 469 B5R0.1 CNCC(N)=O CS-W011178 [1,1,0,0,0,0|1,0,1]=4 470 B5R0.1 COCC(=N)N CS-W003564 [1,1,0,0,0,0|1,0,1]=4 471 B5R0.1 COC[C@@H](C)N CS-W019198 [1,1,0,0,0,0|0,0,0]=2 472 B5R0.1 COC[C@H](C)N CS-0148795 [1,1,0,0,0,0|0,0,0]=2 473 B5R0.1 COC[C@H](C)O CS-0031378 [1,1,0,0,0,0|1,0,0]=3 474 B5R0.1 CSCC(N)=O CS-0150088 [1,1,0,0,0,0|1,0,1]=4 475 B5R0.1 CSCS(C)=O CS-0146450 [1,1,0,0,0,0|2,0,0]=4 476 B5R0.1 C[C@@H](N)CC#N CS-0127883 [1,1,0,0,0,0|0,0,1]=3 477 B5R0.1 C[C@@H](N)CCO CS-W013746 [1,1,0,0,0,0|0,0,0]=2 478 B5R0.1 C[C@@H](O)CCO CS-M1638 [1,1,0,0,0,0|1,0,0]=3 479 B5R0.1 C[C@H](N)CC#N CS-0127884 [1,1,0,0,0,0|0,0,1]=3 480 B5R0.1 C[C@H](N)CCO CS-W019851 [1,1,0,0,0,0|0,0,0]=2 481 B5R0.1 C[C@H](O)CCO CS-W016671 [1,1,0,0,0,0|1,0,0]=3 482 B5R0.1 NC(=O)CCBr CS-0046169 [1,1,0,0,0,0|1,0,1]=4 483 B5R0.1 NC(=O)CCCl CS-0204808 [1,1,0,0,0,0|1,0,1]=4 484 B5R0.1 NC(=O)CCO CS-0205185 [1,1,0,0,0,0|1,0,1]=4 485 B5R0.1 OCCC(F)F CS-0185412 [1,1,0,0,0,0|2,0,0]=4 486 B5R0.4 C#CC(C)(C)Cl CS-W013692 [1,1,0,0,0,0|0,0,2]=4 487 B5R0.4 CC(C)(Br)C#N CS-0100471 [1,1,0,0,0,0|0,0,2]=4 488 B5R0.4 CC(C)(C)C#N CS-0017904 [1,1,0,0,0,0|0,0,2]=4 489 B5R0.4 CC(C)(C)CN CS-0996828 [1,1,0,0,0,0|0,0,0]=2 490 B5R0.4 CC(C)(C)CN CS-W019134 [1,1,0,0,0,0|0,0,0]=2 491 B5R0.4 CC(C)(C)NN CS-W004055 [1,1,0,0,0,0|1,0,0]=3 492 B5R0.4 CC(C)(C)NO CS-0130269 [1,1,0,0,0,0|2,0,0]=4 493 B5R0.4 CC(C)(C)NO CS-W022903 [1,1,0,0,0,0|2,0,0]=4 494 B5R0.4 CC(C)(C)ON CS-W004243 [1,1,0,0,0,0|1,0,0]=3 495 B5R0.4 CC(C)(Cl)CCl CS-0186289 [1,1,0,0,0,0|1,0,0]=3 496 B5R0.4 CC(C)(F)CBr CS-0154615 [1,1,0,0,0,0|1,0,0]=3 497 B5R0.4 CC(C)(F)CN CS-0060975 [1,1,0,0,0,0|0,0,0]=2 498 B5R0.4 CC(C)(F)CO CS-D1107 [1,1,0,0,0,0|1,0,0]=3 499 B5R0.4 CC(C)(N)C#N CS-W005215 [1,1,0,0,0,0|0,0,2]=4 500 B5R0.4 CC(C)(N)CN CS-0058986 [1,1,0,0,0,0|0,0,0]=2 501 B5R0.4 CC(C)(N)CO CS-0129831 [1,1,0,0,0,0|1,0,0]=3 502 B5R0.4 CC(C)(N)CO CS-W013743 [1,1,0,0,0,0|1,0,0]=3 503 B5R0.4 CC(C)(O)CBr CS-0139635 [1,1,0,0,0,0|1,0,0]=3 504 B5R0.4 CC(C)(O)CCl CS-0030576 [1,1,0,0,0,0|1,0,0]=3 505 B5R0.4 CC(C)(O)CN CS-W008799 [1,1,0,0,0,0|0,0,0]=2 506 B5R0.4 CC(C)(O)CO CS-W005057 [1,1,0,0,0,0|1,0,0]=3 507 B5R0.4 CC(C)(S)CN CS-0140693 [1,1,0,0,0,0|0,0,0]=2 508 B5R0.4 CC(F)(F)CN CS-0028374 [1,1,0,0,0,0|1,0,0]=3 509 B5R0.4 CCC(C)(C)Br CS-0204230 [1,1,0,0,0,0|0,0,0]=2 510 B5R0.4 CCS(C)(=O)=O CS-0197307 [1,1,0,0,0,0|2,0,0]=4 511 B5R0.4 CCS(N)(=O)=O CS-W003034 [1,1,0,0,0,0|2,0,0]=4 512 B5R0.4 CC[N+](C)(C)C CS-0153899 [1,1,0,0,0,0|1,0,0]=3 513 B5R0.4 C[Si](C)(C)CI CS-0067163 [1,1,0,0,0,0|1,1,0]=4 514 B5R0.4 NCC(F)(F)F CS-W013336 [1,1,0,0,0,0|2,0,0]=4 515 B5R0.5 CC(=O)C(C)Br CS-0130132 [1,1,0,0,0,0|1,0,1]=4 516 B5R0.5 CC(=O)C(C)N CS-0105630 [1,1,0,0,0,0|0,0,1]=3 517 B5R0.5 CC(=O)N(C)C CS-W023195 [1,1,0,0,0,0|1,0,1]=4 518 B5R0.5 CC(=O)[C@H](C)N CS-0197276 [1,1,0,0,0,0|0,0,1]=3 519 B5R0.5 CC(Br)C(N)=O CS-0139914 [1,1,0,0,0,0|1,0,1]=4 520 B5R0.5 CC(C)=C(C)Br CS-0188281 [1,1,0,0,0,0|0,0,2]=4 521 B5R0.5 CC(C)B(O)O CS-W004088 [1,1,0,0,0,0|2,0,0]=4 522 B5R0.5 CC(C)C(=N)N CS-0120122 [1,1,0,0,0,0|0,0,1]=3 523 B5R0.5 CC(C)C(N)=O CS-W019979 [1,1,0,0,0,0|0,0,1]=3 524 B5R0.5 CC(N)C(=O)O CS-0022544 [1,1,0,0,0,0|1,0,1]=4 525 B5R0.5 CC(N)C(C)O CS-0217255 [1,1,0,0,0,0|0,0,0]=2 526 B5R0.5 CC(N)C(N)=O CS-0186552 [1,1,0,0,0,0|1,0,1]=4 527 B5R0.5 CC(O)C(C)O CS-0099502 [1,1,0,0,0,0|1,0,0]=3 528 B5R0.5 CC(O)C(N)=O CS-0068194 [1,1,0,0,0,0|1,0,1]=4 529 B5R0.5 CN(C)C(=N)N CS-0036167 [1,1,0,0,0,0|1,0,1]=4 530 B5R0.5 CN(C)C(=N)N CS-0151357 [1,1,0,0,0,0|1,0,1]=4 531 B5R0.5 CN(C)C(N)=O CS-0132397 [1,1,0,0,0,0|1,0,1]=4 532 B5R0.5 CN(C)C(N)=S CS-0231074 [1,1,0,0,0,0|1,0,1]=4 533 B5R0.5 C[C@@H](F)C(N)=O CS-0637276 [1,1,0,0,0,0|1,0,1]=4 534 B5R0.5 C[C@@H](N)C(=O)O CS-W020127 [1,1,0,0,0,0|1,0,1]=4 535 B5R0.5 C[C@@H](N)C(N)=O CS-W005248 [1,1,0,0,0,0|1,0,1]=4 536 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [1,1,0,0,0,0|1,0,1]=4 537 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [1,1,0,0,0,0|1,0,1]=4 538 B5R0.5 C[C@@H](O)[C@@H](C)O CS-W016670 [1,1,0,0,0,0|1,0,0]=3 539 B5R0.5 C[C@H](F)C(N)=O CS-0637032 [1,1,0,0,0,0|1,0,1]=4 540 B5R0.5 C[C@H](N)C(=O)O CS-W020002 [1,1,0,0,0,0|1,0,1]=4 541 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [1,1,0,0,0,0|1,0,1]=4 542 B5R0.5 C[C@H](N)C(N)=O CS-0119942 [1,1,0,0,0,0|1,0,1]=4 543 B5R0.5 C[C@H](N)C(N)=O CS-0539407 [1,1,0,0,0,0|1,0,1]=4 544 B5R0.5 C[C@H](O)C(N)=O CS-0330478 [1,1,0,0,0,0|1,0,1]=4 545 B5R0.5 C[C@H](O)[C@@H](C)O CS-0545500 [1,1,0,0,0,0|1,0,0]=3 546 B5R0.5 C[C@H](O)[C@H](C)O CS-0106462 [1,1,0,0,0,0|1,0,0]=3 547 B5R0.5 [C@@H](C)(N)C(=O)O CS-0044074 [1,1,0,0,0,0|1,0,1]=4 548 B5R0.2 BrCCCCBr CS-W020631 [1,1,0,0,0,0|1,0,0]=3 549 B5R0.2 C#CCCCBr CS-0147349 [1,1,0,0,0,0|1,0,1]=4 550 B5R0.2 C#CCCCCl CS-W009550 [1,1,0,0,0,0|1,0,1]=4 551 B5R0.2 C#CCCCI CS-0088561 [1,1,0,0,0,0|1,0,1]=4 552 B5R0.2 C#CCCCN CS-0038434 [1,1,0,0,0,0|0,0,1]=3 553 B5R0.2 C#CCCCO CS-W011358 [1,1,0,0,0,0|1,0,1]=4 554 B5R0.2 C=CCCCI CS-0135974 [1,1,0,0,0,0|1,0,1]=4 555 B5R0.2 C=CCCNC CS-0197692 [1,1,0,0,0,0|0,0,2]=4 556 B5R0.2 CCC#CCBr CS-0188171 [1,1,0,0,0,0|1,0,1]=4 557 B5R0.2 CCC#CCO CS-0143646 [1,1,0,0,0,0|1,0,1]=4 558 B5R0.2 CCCCON CS-0106180 [1,1,0,0,0,0|0,0,0]=2 559 B5R0.2 CCNCCO CS-0076051 [1,1,0,0,0,0|1,0,0]=3 560 B5R0.2 CCSCCN CS-0663845 [1,1,0,0,0,0|0,0,0]=2 561 B5R0.2 CNCCC#N CS-W011357 [1,1,0,0,0,0|0,0,2]=4 562 B5R0.2 CNCCCCl CS-0150991 [1,1,0,0,0,0|1,0,0]=3 563 B5R0.2 CNCCCO CS-W007469 [1,1,0,0,0,0|1,0,0]=3 564 B5R0.2 COCCC#N CS-0030563 [1,1,0,0,0,0|0,0,2]=4 565 B5R0.2 COCCCBr CS-W010945 [1,1,0,0,0,0|1,0,0]=3 566 B5R0.2 COCCNN CS-0249520 [1,1,0,0,0,0|1,0,0]=3 567 B5R0.2 CSCCCO CS-0015993 [1,1,0,0,0,0|1,0,0]=3 568 B5R0.2 C\C=C\CCO CS-0162245 [1,1,0,0,0,0|1,0,1]=4 569 B5R0.2 ClCCCCBr CS-W017647 [1,1,0,0,0,0|1,0,0]=3 570 B5R0.2 ClCCCCI CS-W019348 [1,1,0,0,0,0|1,0,0]=3 571 B5R0.2 FCCCCBr CS-W018025 [1,1,0,0,0,0|1,0,0]=3 572 B5R0.2 ICCCCI CS-W004871 [1,1,0,0,0,0|1,0,0]=3 573 B5R0.2 N#CCCCBr CS-W004123 [1,1,0,0,0,0|0,0,2]=4 574 B5R0.2 N#CCCCCl CS-D1161 [1,1,0,0,0,0|0,0,2]=4 575 B5R0.2 N#CCCNN CS-W001874 [1,1,0,0,0,0|1,0,1]=4 576 B5R0.2 NCC#CCN CS-0073026 [1,1,0,0,0,0|0,0,2]=4 577 B5R0.2 NCCCCBr CS-W005399 [1,1,0,0,0,0|0,0,0]=2 578 B5R0.2 NCCCCCl CS-0158355 [1,1,0,0,0,0|0,0,0]=2 579 B5R0.2 NCCCCO CS-W002041 [1,1,0,0,0,0|0,0,0]=2 580 B5R0.2 NC\C=C/CCl CS-M0797 [1,1,0,0,0,0|0,0,2]=4 581 B5R0.2 NC\C=C/CN CS-WAA0092 [1,1,0,0,0,0|0,0,2]=4 582 B5R0.2 NC\C=C\CN CS-0374306 [1,1,0,0,0,0|0,0,2]=4 583 B5R0.2 NOCCON CS-0070013 [1,1,0,0,0,0|2,0,0]=4 584 B5R0.2 OCCCCBr CS-W000344 [1,1,0,0,0,0|1,0,0]=3 585 B5R0.2 OCCCCCl CS-0022417 [1,1,0,0,0,0|1,0,0]=3 586 B5R0.2 OCCCCF CS-0116811 [1,1,0,0,0,0|1,0,0]=3 587 B5R0.2 OCCNCO CS-0203827 [1,1,0,0,0,0|2,0,0]=4 588 B5R0.2 [N-]=[N+]=NCCN CS-0644784 [1,1,0,0,0,0|2,0,0]=4 589 B7R0.2 CC(C)CC(N)CO CS-W021562 [0,2,0,0,0,0|2,0,0]=4 590 B7R0.2 CC(C)C[C@H](N)CO CS-W016592 [0,2,0,0,0,0|2,0,0]=4 591 B7R0.2 CC(C)OC(=O)CN CS-0154172 [0,2,0,0,0,0|1,0,1]=4 592 B7R0.2 CC(CCl)CN(C)C CS-W017630 [0,2,0,0,0,0|1,0,0]=3 593 B7R0.2 CCC(C)CC(=O)O CS-W011229 [0,2,0,0,0,0|1,0,0]=3 594 B7R0.2 CCC(C)CC(C)N CS-W016309 [0,2,0,0,0,0|0,0,0]=2 595 B7R0.2 CCC(C)OC(=S)S CS-0182625 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.2 CCC(N)CC(=O)O CS-W021843 [0,2,0,0,0,0|2,0,0]=4 597 B7R0.2 CCN(C)CC(=O)O CS-0144155 [0,2,0,0,0,0|2,0,0]=4 598 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [0,2,0,0,0,0|1,0,0]=3 599 B7R0.2 CN(C)CC(O)CO CS-W016584 [0,2,0,0,0,0|2,0,0]=4 600 B7R0.2 [C@H](N)(CO)CC(C)C CS-W013604 [0,2,0,0,0,0|2,0,0]=4 601 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [0,2,0,0,0,0|1,0,1]=4 602 B7R0.3 CC(C#N)CCC#N CS-0135421 [0,2,0,0,0,0|0,0,2]=4 603 B7R0.3 CCCCC(O)CO CS-W013596 [0,2,0,0,0,0|2,0,0]=4 604 B7R0.3 CCCC[C@@H](N)CO CS-0089933 [0,2,0,0,0,0|2,0,0]=4 605 B7R0.3 CCCC[C@@H](N)CO CS-0162184 [0,2,0,0,0,0|2,0,0]=4 606 B7R0.3 CCOCC(O)CO CS-0151429 [0,2,0,0,0,0|2,0,0]=4 607 B7R0.3 CSCC[C@H](N)CO CS-0020145 [0,2,0,0,0,0|2,0,0]=4 608 B7R0.3 C[C@@H](CN)CCCO CS-0368510 [0,2,0,0,0,0|0,0,0]=2 609 B7R0.5 CCCC(C)C(=O)O CS-W011232 [0,2,0,0,0,0|1,0,1]=4 610 B7R0.5 CCOC(=O)C(C)N CS-0151889 [0,2,0,0,0,0|1,0,1]=4 611 B7R0.5 CCOC(=O)[C@H](C)N CS-0009409 [0,2,0,0,0,0|1,0,1]=4 612 B7R0.7 C#CCN(C)CCO CS-0198423 [0,2,0,0,0,0|2,0,0]=4 613 B7R0.7 CC(CCBr)CCBr CS-0182622 [0,2,0,0,0,0|1,0,0]=3 614 B7R0.7 CC(CCO)CCO CS-0188324 [0,2,0,0,0,0|1,0,0]=3 615 B7R0.7 CCCC(Br)CCC CS-0106173 [0,2,0,0,0,0|2,0,0]=4 616 B7R0.7 CCCC(O)CCC CS-0132313 [0,2,0,0,0,0|2,0,0]=4 617 B7R0.7 CCC[C@H](N)CCO CS-0152589 [0,2,0,0,0,0|2,0,0]=4 618 B7R0.7 CCOC(=O)CCN CS-W019943 [0,2,0,0,0,0|1,0,1]=4 619 B7R0.7 CCOC(=O)CNC CS-W020595 [0,2,0,0,0,0|1,0,1]=4 620 B7R0.7 CCOC(=O)CNN CS-W002085 [0,2,0,0,0,0|1,0,1]=4 621 B7R0.7 CN(CCN)CCN CS-0151248 [0,2,0,0,0,0|1,0,0]=3 622 B7R0.7 COCC(N)COC CS-W005488 [0,2,0,0,0,0|2,0,0]=4 623 B7R0.7 COCC(O)COC CS-W018661 [0,2,0,0,0,0|2,0,0]=4 624 B7R0.7 OCCC(O)CCO CS-0469963 [0,2,0,0,0,0|2,0,0]=4 625 B7R0.10 COC(=O)C(C)CN CS-0253549 [0,2,0,0,0,0|0,0,1]=3 626 B7R0.10 COC(=O)C(C)CO CS-0697290 [0,2,0,0,0,0|1,0,1]=4 627 B7R0.10 COC(=O)C(O)CN CS-0042395 [0,2,0,0,0,0|1,0,1]=4 628 B7R0.10 COC(=O)[C@@H](C)CBr CS-0130400 [0,2,0,0,0,0|1,0,1]=4 629 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [0,2,0,0,0,0|1,0,1]=4 630 B7R0.10 COC(=O)[C@@H](O)CN CS-0131698 [0,2,0,0,0,0|1,0,1]=4 631 B7R0.10 COC(=O)[C@H](C)CBr CS-0158189 [0,2,0,0,0,0|1,0,1]=4 632 B7R0.10 COC(=O)[C@H](C)CO CS-0019967 [0,2,0,0,0,0|1,0,1]=4 633 B7R0.10 COC(C)C(=O)NN CS-0278862 [0,2,0,0,0,0|1,0,1]=4 634 B7R0.10 CON(C)C(=O)CN CS-0646800 [0,2,0,0,0,0|2,0,0]=4 635 B7R0.10 OC(CCl)C(O)CCl CS-0179539 [0,2,0,0,0,0|2,0,0]=4 636 B7R0.10 OC[C@H](O)[C@H](O)CO CS-0019695 [0,2,0,0,0,0|2,0,0]=4 637 B7R0.10 OC[C@H](O)[C@H](O)CO CS-0890220 [0,2,0,0,0,0|2,0,0]=4 638 B7R0.10 O[C@H](CS)[C@@H](O)CS CS-3034 [0,2,0,0,0,0|2,0,0]=4 639 B7R0.10 O[C@H](CS)[C@H](O)CS CS-3035 [0,2,0,0,0,0|2,0,0]=4 640 B7R0.10 [C@H](C)(CC)[C@H](N)CO CS-W016591 [0,2,0,0,0,0|0,0,0]=2 641 B7R0.11 COC(C)(C)CCN CS-0540694 [0,2,0,0,0,0|1,0,0]=3 642 B7R0.11 COC(C)(C)CCO CS-0132453 [0,2,0,0,0,0|2,0,0]=4 643 B7R0.11 C[N+](C)(CI)CCO CS-0188274 [0,2,0,0,0,0|2,0,0]=4 644 B7R0.12 CCC(\C=N\O)CC CS-0849967 [0,2,0,0,0,0|0,0,2]=4 645 B7R0.12 CCCC(CO)CO CS-W011220 [0,2,0,0,0,0|1,0,0]=3 646 B7R0.12 CCN(CC)CCBr CS-0076417 [0,2,0,0,0,0|2,0,0]=4 647 B7R0.12 CCN(CC)CCO CS-W010936 [0,2,0,0,0,0|2,0,0]=4 648 B7R0.12 COC(CCBr)OC CS-W023200 [0,2,0,0,0,0|2,0,0]=4 649 B7R0.12 COCC(OC)OC CS-0150200 [0,2,0,0,0,0|2,0,0]=4 650 B7R0.13 CC(C)(CN)C(=O)O CS-0107300 [0,2,0,0,0,0|1,0,1]=4 651 B7R0.13 CC(C)(CN)C(N)=O CS-W003343 [0,2,0,0,0,0|1,0,1]=4 652 B7R0.13 CCC(C)(C)C(=O)O CS-W016597 [0,2,0,0,0,0|1,0,1]=4 653 B7R0.13 CCC(C)(O)C(=O)O CS-W016590 [0,2,0,0,0,0|1,0,1]=4 654 B7R0.13 CC[C@@](C)(N)C(=O)O CS-W008544 [0,2,0,0,0,0|1,0,1]=4 655 B7R0.13 CC[C@](C)(N)C(=O)O CS-0433358 [0,2,0,0,0,0|1,0,1]=4 656 B7R0.13 CC[C@](C)(N)C(=O)O CS-W020180 [0,2,0,0,0,0|1,0,1]=4 657 B7R0.14 CC(C)(C)C(N)CO CS-0072424 [0,2,0,0,0,0|2,0,0]=4 658 B7R0.14 CC(C)(O)[C@H](F)CN CS-0084788 [0,2,0,0,0,0|1,0,0]=3 659 B7R0.14 CC(CO)C(F)(F)F CS-W021786 [0,2,0,0,0,0|2,0,0]=4 660 B7R0.14 CC(NN)C(F)(F)F CS-0166605 [0,2,0,0,0,0|2,0,0]=4 661 B7R0.14 CCC(C)S(=O)(=O)O CS-0864131 [0,2,0,0,0,0|2,0,0]=4 662 B7R0.14 NCC(O)C(F)(F)F CS-B1216 [0,2,0,0,0,0|2,0,0]=4 663 B7R0.14 [C@@H](N)(CO)C(C)(C)C CS-W005274 [0,2,0,0,0,0|2,0,0]=4 664 B7R0.14 [C@H](N)(CO)C(C)(C)C CS-W008332 [0,2,0,0,0,0|2,0,0]=4 665 B7R0.15 CC(C)C(CN)CO CS-0144311 [0,2,0,0,0,0|0,0,0]=2 666 B7R0.15 CCC(CC)C(=O)[O-] CS-0152606 [0,2,0,0,0,0|1,0,1]=4 667 B7R0.15 CCC(CC)C(C)=O CS-0149235 [0,2,0,0,0,0|1,0,0]=3 668 B7R0.15 CCC(CC)C(N)=O CS-0214584 [0,2,0,0,0,0|0,0,1]=3 669 B7R0.15 CCN(CC)C(C)=O CS-W009545 [0,2,0,0,0,0|2,0,0]=4 670 B7R0.15 COC(OC)C(C)Br CS-W017071 [0,2,0,0,0,0|2,0,0]=4 671 B7R0.16 CC(C)C(C)C(=O)O CS-0138076 [0,2,0,0,0,0|1,0,1]=4 672 B7R0.16 CC(C)[C@@H](N)C(N)=O CS-W002589 [0,2,0,0,0,0|1,0,1]=4 673 B7R0.16 CC(C)[C@H](N)C(N)=O CS-W008135 [0,2,0,0,0,0|1,0,1]=4 674 B7R0.16 CC(O)C(C)C(=O)O CS-0116129 [0,2,0,0,0,0|1,0,1]=4 675 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O CS-W021072 [0,2,0,0,0,0|1,0,1]=4 676 B7R0.18 CCC(Br)(CC)CC CS-0197400 [0,2,0,0,0,0|1,0,0]=3 677 B7R0.18 CCC(N)(CO)CO CS-0089934 [0,2,0,0,0,0|1,0,0]=3 678 B7R0.18 CC[N+](C)(CC)CC CS-0153897 [0,2,0,0,0,0|2,0,0]=4 679 B7R0.18 CC[N+](C)(CC)CC CS-0153898 [0,2,0,0,0,0|2,0,0]=4 680 B7R0.18 CC[Si](O)(CC)CC CS-0153892 [0,2,0,0,0,0|1,1,0]=4 681 B7R0.18 COC(C)(CBr)OC CS-0112295 [0,2,0,0,0,0|2,0,0]=4 682 B7R0.18 COC(C)(CN)OC CS-0147461 [0,2,0,0,0,0|1,0,0]=3 683 B7R0.18 NC(CO)(CO)CO CS-0015190 [0,2,0,0,0,0|2,0,0]=4 684 B7R0.18 NC(CO)(CO)CO CS-0201542 [0,2,0,0,0,0|2,0,0]=4 685 B7R0.18 NC(CO)(CO)CO CS-0201545 [0,2,0,0,0,0|2,0,0]=4 686 B7R0.18 NC(CO)(CO)CO CS-0201546 [0,2,0,0,0,0|2,0,0]=4 687 B7R0.18 NC(CO)(CO)CO CS-W009054 [0,2,0,0,0,0|2,0,0]=4 688 B7R0.18 NC(CO)(CO)CO CS-W018524 [0,2,0,0,0,0|2,0,0]=4 689 B5R1.2 BrC1CCC1 CS-0044363 [1,0,0,1,0,0|1,0,0]=3 690 B5R1.2 BrC1CNC1 CS-0051440 [1,0,0,1,0,0|1,0,0]=3 691 B5R1.2 BrC1COC1 CS-D1251 [1,0,0,1,0,0|2,0,0]=4 692 B5R1.2 CC1CCN1 CS-0051841 [1,0,0,1,0,0|0,0,0]=2 693 B5R1.2 CC1CNC1 CS-W019342 [1,0,0,1,0,0|0,0,0]=2 694 B5R1.2 C[C@@H]1CCN1 CS-0100346 [1,0,0,1,0,0|0,0,0]=2 695 B5R1.2 ClC1CNC1 CS-0051403 [1,0,0,1,0,0|1,0,0]=3 696 B5R1.2 FC1CNC1 CS-W001606 [1,0,0,1,0,0|1,0,0]=3 697 B5R1.2 IC1COC1 CS-W017022 [1,0,0,1,0,0|2,0,0]=4 698 B5R1.2 NC1CCC1 CS-0006655 [1,0,0,1,0,0|0,0,0]=2 699 B5R1.2 NC1CNC1 CS-W022573 [1,0,0,1,0,0|1,0,0]=3 700 B5R1.2 NC1COC1 CS-W018946 [1,0,0,1,0,0|1,0,0]=3 701 B5R1.2 NC1CSC1 CS-0045517 [1,0,0,1,0,0|1,0,0]=3 702 B5R1.2 O=C1CCN1 CS-W011364 [1,0,0,1,0,0|1,0,1]=4 703 B5R1.2 O=C1CNC1 CS-W019264 [1,0,0,1,0,0|1,0,1]=4 704 B5R1.2 OC1CCC1 CS-W013758 [1,0,0,1,0,0|1,0,0]=3 705 B5R1.2 OC1CNC1 CS-0084651 [1,0,0,1,0,0|1,0,0]=3 706 B5R1.2 OC1CNC1 CS-D0673 [1,0,0,1,0,0|1,0,0]=3 707 B5R1.2 OC1COC1 CS-W007362 [1,0,0,1,0,0|2,0,0]=4 708 B5R1.2 OC1CSC1 CS-0045447 [1,0,0,1,0,0|2,0,0]=4 709 B5R1.3 BrCC1CC1 CS-W020194 [1,0,0,1,0,0|1,0,0]=3 710 B5R1.3 CNC1CC1 CS-W019814 [1,0,0,1,0,0|1,0,0]=3 711 B5R1.3 ClCC1CS1 CS-0232950 [1,0,0,1,0,0|2,0,0]=4 712 B5R1.3 ICC1CC1 CS-0056033 [1,0,0,1,0,0|1,0,0]=3 713 B5R1.3 NCC1CC1 CS-0132848 [1,0,0,1,0,0|0,0,0]=2 714 B5R1.3 NNC1CC1 CS-B1049 [1,0,0,1,0,0|1,0,0]=3 715 B5R1.3 NNC1CC1 CS-W000619 [1,0,0,1,0,0|1,0,0]=3 716 B5R1.3 OCC1CO1 CS-0016001 [1,0,0,1,0,0|2,0,0]=4 717 B5R1.4 N[C@@H]1C[C@@H]1F CS-0101187 [1,0,0,1,0,0|1,0,0]=3 718 B5R1.4 N[C@@H]1C[C@H]1F CS-0143339 [1,0,0,1,0,0|1,0,0]=3 719 B5R1.4 N[C@H]1C[C@H]1F CS-0143340 [1,0,0,1,0,0|1,0,0]=3 720 B5R1.5 CC1(N)CC1 CS-W003769 [1,0,0,1,0,0|0,0,0]=2 721 B5R1.1 C1=CCNC1 CS-W016634 [1,0,0,1,0,0|0,0,2]=4 722 B5R1.1 C1CCNC1 CS-0162629 [1,0,0,1,0,0|0,0,0]=2 723 B5R1.1 C1CNNC1 CS-0210819 [1,0,0,1,0,0|1,0,0]=3 724 B5R1.1 C1CNOC1 CS-0179756 [1,0,0,1,0,0|1,0,0]=3 725 B5R1.1 C1CSCN1 CS-0006687 [1,0,0,1,0,0|1,0,0]=3 726 B5R1.1 C1CSCN1 CS-M1684 [1,0,0,1,0,0|1,0,0]=3 727 B7R1.1 BrCC1CCCC1 CS-W004985 [0,1,0,1,0,0|1,0,0]=3 728 B7R1.1 BrCC1CCOC1 CS-W004268 [0,1,0,1,0,0|1,0,0]=3 729 B7R1.1 BrCC1OCCO1 CS-W021428 [0,1,0,1,0,0|2,0,0]=4 730 B7R1.1 C#CC1CCOC1 CS-0170800 [0,1,0,1,0,0|1,0,1]=4 731 B7R1.1 CCC1CCCN1 CS-0454761 [0,1,0,1,0,0|1,0,0]=3 732 B7R1.1 CC[C@H]1CCCN1 CS-0197308 [0,1,0,1,0,0|1,0,0]=3 733 B7R1.1 CN[C@H]1CCOC1 CS-0053255 [0,1,0,1,0,0|1,0,0]=3 734 B7R1.1 COC1CCNC1 CS-0039937 [0,1,0,1,0,0|0,0,0]=2 735 B7R1.1 COC1CCNC1 CS-W004880 [0,1,0,1,0,0|0,0,0]=2 736 B7R1.1 CO[C@@H]1CCNC1 CS-0053757 [0,1,0,1,0,0|0,0,0]=2 737 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,1,0,1,0,0|0,0,0]=2 738 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,1,0,1,0,0|0,0,0]=2 739 B7R1.1 ClCC1OCCO1 CS-0137170 [0,1,0,1,0,0|2,0,0]=4 740 B7R1.1 FC[C@@H]1CCCN1 CS-0053450 [0,1,0,1,0,0|1,0,0]=3 741 B7R1.1 ICC1CCCC1 CS-0309298 [0,1,0,1,0,0|1,0,0]=3 742 B7R1.1 ICC1CCOC1 CS-W004269 [0,1,0,1,0,0|1,0,0]=3 743 B7R1.1 N#CC1CCCC1 CS-0072286 [0,1,0,1,0,0|0,0,2]=4 744 B7R1.1 N#CC1CCOC1 CS-W004270 [0,1,0,1,0,0|0,0,2]=4 745 B7R1.1 N#C[C@@H]1CCCN1 CS-W002962 [0,1,0,1,0,0|0,0,2]=4 746 B7R1.1 N#C[C@@H]1CCNC1 CS-0053310 [0,1,0,1,0,0|0,0,1]=3 747 B7R1.1 N#C[C@H]1CCCN1 CS-0102312 [0,1,0,1,0,0|0,0,2]=4 748 B7R1.1 N#C[C@H]1CCNC1 CS-0053245 [0,1,0,1,0,0|0,0,1]=3 749 B7R1.1 NCC1CCCC1 CS-D0472 [0,1,0,1,0,0|0,0,0]=2 750 B7R1.1 NCC1CCCN1 CS-0019253 [0,1,0,1,0,0|0,0,0]=2 751 B7R1.1 NCC1CCOC1 CS-W004787 [0,1,0,1,0,0|0,0,0]=2 752 B7R1.1 NC[C@@H]1CCCO1 CS-0438150 [0,1,0,1,0,0|0,0,0]=2 753 B7R1.1 NC[C@@H]1CCCO1 CS-W011316 [0,1,0,1,0,0|0,0,0]=2 754 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [0,1,0,1,0,0|0,0,0]=2 755 B7R1.1 NC[C@@H]1CCOC1 CS-0053252 [0,1,0,1,0,0|0,0,0]=2 756 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [0,1,0,1,0,0|0,0,0]=2 757 B7R1.1 NNC1CCCC1 CS-D0525 [0,1,0,1,0,0|1,0,0]=3 758 B7R1.1 O=CC1CCOC1 CS-W004272 [0,1,0,1,0,0|1,0,1]=4 759 B7R1.1 OCC1CC=CC1 CS-W003141 [0,1,0,1,0,0|1,0,1]=4 760 B7R1.1 OCC1CCCC1 CS-W001923 [0,1,0,1,0,0|1,0,0]=3 761 B7R1.1 OCC1CCCN1 CS-W007622 [0,1,0,1,0,0|1,0,0]=3 762 B7R1.1 OCC1CCNC1 CS-W019882 [0,1,0,1,0,0|0,0,0]=2 763 B7R1.1 OCC1CCOC1 CS-D1159 [0,1,0,1,0,0|1,0,0]=3 764 B7R1.1 OCC1OCCO1 CS-W019186 [0,1,0,1,0,0|2,0,0]=4 765 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [0,1,0,1,0,0|1,0,0]=3 766 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,1,0,1,0,0|1,0,0]=3 767 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,1,0,1,0,0|0,0,0]=2 768 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [0,1,0,1,0,0|1,0,0]=3 769 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [0,1,0,1,0,0|0,0,0]=2 770 B7R1.1 [C@@H]1(CN)CCCN1 CS-0043760 [0,1,0,1,0,0|0,0,0]=2 771 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [0,1,0,1,0,0|0,0,0]=2 772 B7R1.1 [C@H]1(CO)CCCO1 CS-W013695 [0,1,0,1,0,0|1,0,0]=3 773 B7R1.2 CC1CCC(=O)O1 CS-W016654 [0,1,0,1,0,0|1,0,1]=4 774 B7R1.2 CC1CNC(=O)C1 CS-0040667 [0,1,0,1,0,0|0,0,1]=3 775 B7R1.2 CN1CCC(=O)C1 CS-0172438 [0,1,0,1,0,0|1,0,1]=4 776 B7R1.2 CN1CCC(N)C1 CS-0151106 [0,1,0,1,0,0|1,0,0]=3 777 B7R1.2 CN1CCC(O)C1 CS-M2838 [0,1,0,1,0,0|1,0,0]=3 778 B7R1.2 CN1CC[C@@H](N)C1 CS-0053339 [0,1,0,1,0,0|1,0,0]=3 779 B7R1.2 CN1CC[C@@H](N)C1 CS-0183704 [0,1,0,1,0,0|1,0,0]=3 780 B7R1.2 CN1CC[C@H](N)C1 CS-0053279 [0,1,0,1,0,0|1,0,0]=3 781 B7R1.2 CN1CC[C@H](O)C1 CS-W003109 [0,1,0,1,0,0|1,0,0]=3 782 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [0,1,0,1,0,0|1,0,1]=4 783 B7R1.2 C[C@@H]1CC[C@@H](C)N1 CS-0111299 [0,1,0,1,0,0|1,0,0]=3 784 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [0,1,0,1,0,0|1,0,1]=4 785 B7R1.2 C[C@@H]1C[C@H](O)CN1 CS-0053223 [0,1,0,1,0,0|1,0,0]=3 786 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [0,1,0,1,0,0|1,0,1]=4 787 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,1,0,1,0,0|1,0,1]=4 788 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [0,1,0,1,0,0|0,0,1]=3 789 B7R1.2 C[C@H]1C[C@@H](O)CN1 CS-0053292 [0,1,0,1,0,0|1,0,0]=3 790 B7R1.2 NC1CCC(N)C1 CS-0310049 [0,1,0,1,0,0|1,0,0]=3 791 B7R1.2 NC1CCC(O)C1 CS-0083804 [0,1,0,1,0,0|1,0,0]=3 792 B7R1.2 NC1CCC(O)C1 CS-W005211 [0,1,0,1,0,0|1,0,0]=3 793 B7R1.2 NC1CNC(=O)C1 CS-W023257 [0,1,0,1,0,0|1,0,1]=4 794 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-0053617 [0,1,0,1,0,0|1,0,0]=3 795 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-W018626 [0,1,0,1,0,0|1,0,0]=3 796 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0044036 [0,1,0,1,0,0|1,0,0]=3 797 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [0,1,0,1,0,0|1,0,0]=3 798 B7R1.2 N[C@@H]1CNC(=O)C1 CS-W003954 [0,1,0,1,0,0|1,0,1]=4 799 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-0062467 [0,1,0,1,0,0|1,0,0]=3 800 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-B1526 [0,1,0,1,0,0|1,0,0]=3 801 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0053559 [0,1,0,1,0,0|1,0,0]=3 802 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0131617 [0,1,0,1,0,0|1,0,0]=3 803 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,1,0,1,0,0|1,0,1]=4 804 B7R1.2 O=C1CCC(O)C1 CS-0051334 [0,1,0,1,0,0|2,0,0]=4 805 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,1,0,1,0,0|1,0,1]=4 806 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [0,1,0,1,0,0|1,0,1]=4 807 B7R1.2 OC1CCC(O)C1 CS-0049625 [0,1,0,1,0,0|2,0,0]=4 808 B7R1.2 O[C@@H]1CC[C@@H](O)C1 CS-0056775 [0,1,0,1,0,0|2,0,0]=4 809 B7R1.2 [C@@H]1(N)CC[C@@H](N)C1 CS-W007211 [0,1,0,1,0,0|1,0,0]=3 810 B7R1.2 [C@@H]1(O)CCN(C)C1 CS-W013705 [0,1,0,1,0,0|1,0,0]=3 811 B7R1.3 BrC1CCCCC1 CS-W017925 [0,1,0,1,0,0|2,0,0]=4 812 B7R1.3 BrC1CCCOC1 CS-W019418 [0,1,0,1,0,0|2,0,0]=4 813 B7R1.3 BrC1CCNCC1 CS-W014130 [0,1,0,1,0,0|1,0,0]=3 814 B7R1.3 BrC1CCOCC1 CS-W003396 [0,1,0,1,0,0|2,0,0]=4 815 B7R1.3 C=C1CCNCC1 CS-D0508 [0,1,0,1,0,0|0,0,2]=4 816 B7R1.3 CC1=CCCNC1 CS-0050445 [0,1,0,1,0,0|0,0,1]=3 817 B7R1.3 CC1=CCNCC1 CS-W004399 [0,1,0,1,0,0|0,0,1]=3 818 B7R1.3 CC1CCOCC1 CS-0233092 [0,1,0,1,0,0|1,0,0]=3 819 B7R1.3 CC1CCOCO1 CS-0181838 [0,1,0,1,0,0|1,0,0]=3 820 B7R1.3 CC1CNCCO1 CS-0152670 [0,1,0,1,0,0|0,0,0]=2 821 B7R1.3 CC1CNCCO1 CS-D1584 [0,1,0,1,0,0|0,0,0]=2 822 B7R1.3 CC1COCCN1 CS-W009058 [0,1,0,1,0,0|1,0,0]=3 823 B7R1.3 CC1SCCCS1 CS-0094743 [0,1,0,1,0,0|2,0,0]=4 824 B7R1.3 CN1CCNCC1 CS-W017563 [0,1,0,1,0,0|1,0,0]=3 825 B7R1.3 C[C@@H]1CCCCN1 CS-W019137 [0,1,0,1,0,0|1,0,0]=3 826 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [0,1,0,1,0,0|0,0,0]=2 827 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,1,0,1,0,0|0,0,0]=2 828 B7R1.3 C[C@@H]1CNCCO1 CS-0019313 [0,1,0,1,0,0|0,0,0]=2 829 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,1,0,1,0,0|0,0,0]=2 830 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,1,0,1,0,0|1,0,0]=3 831 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,1,0,1,0,0|1,0,0]=3 832 B7R1.3 C[C@H]1CCCCN1 CS-0145867 [0,1,0,1,0,0|1,0,0]=3 833 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,1,0,1,0,0|0,0,0]=2 834 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,1,0,1,0,0|1,0,0]=3 835 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,1,0,1,0,0|1,0,0]=3 836 B7R1.3 ClC1CCCCC1 CS-0198086 [0,1,0,1,0,0|2,0,0]=4 837 B7R1.3 ClC1CCNCC1 CS-W006160 [0,1,0,1,0,0|1,0,0]=3 838 B7R1.3 ClC1CCOCC1 CS-W016579 [0,1,0,1,0,0|2,0,0]=4 839 B7R1.3 FC1CCCNC1 CS-W001632 [0,1,0,1,0,0|1,0,0]=3 840 B7R1.3 FC1CCNCC1 CS-0040905 [0,1,0,1,0,0|1,0,0]=3 841 B7R1.3 FC1CCNCC1 CS-0101735 [0,1,0,1,0,0|1,0,0]=3 842 B7R1.3 F[C@@H]1CCCNC1 CS-0053327 [0,1,0,1,0,0|1,0,0]=3 843 B7R1.3 IC1CCCCC1 CS-0148628 [0,1,0,1,0,0|2,0,0]=4 844 B7R1.3 IC1CCNCC1 CS-0145320 [0,1,0,1,0,0|1,0,0]=3 845 B7R1.3 IC1CCOCC1 CS-W004278 [0,1,0,1,0,0|2,0,0]=4 846 B7R1.3 NC1CC=CCC1 CS-0076943 [0,1,0,1,0,0|2,0,0]=4 847 B7R1.3 NC1CCCCC1 CS-W013335 [0,1,0,1,0,0|2,0,0]=4 848 B7R1.3 NC1CCCNC1 CS-W002078 [0,1,0,1,0,0|1,0,0]=3 849 B7R1.3 NC1CCCOC1 CS-0044162 [0,1,0,1,0,0|2,0,0]=4 850 B7R1.3 NC1CCCOC1 CS-0069616 [0,1,0,1,0,0|2,0,0]=4 851 B7R1.3 NC1CCOCC1 CS-B0654 [0,1,0,1,0,0|2,0,0]=4 852 B7R1.3 NC1CCOCC1 CS-W002372 [0,1,0,1,0,0|2,0,0]=4 853 B7R1.3 NC1CCSCC1 CS-0043960 [0,1,0,1,0,0|2,0,0]=4 854 B7R1.3 NC1CCSCC1 CS-W000397 [0,1,0,1,0,0|2,0,0]=4 855 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,1,0,1,0,0|1,0,0]=3 856 B7R1.3 N[C@@H]1CCCNC1 CS-W009139 [0,1,0,1,0,0|1,0,0]=3 857 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,1,0,1,0,0|2,0,0]=4 858 B7R1.3 O=C1CCCNC1 CS-0048756 [0,1,0,1,0,0|1,0,1]=4 859 B7R1.3 O=C1CCCNC1 CS-0185548 [0,1,0,1,0,0|1,0,1]=4 860 B7R1.3 O=C1CNCCN1 CS-B0039 [0,1,0,1,0,0|1,0,1]=4 861 B7R1.3 O=C1CNCCO1 CS-0098127 [0,1,0,1,0,0|1,0,1]=4 862 B7R1.3 O=S1CCNCC1 CS-0043941 [0,1,0,1,0,0|2,0,0]=4 863 B7R1.3 OC1CC=CCC1 CS-0161778 [0,1,0,1,0,0|2,0,0]=4 864 B7R1.3 OC1CCCCC1 CS-0017198 [0,1,0,1,0,0|2,0,0]=4 865 B7R1.3 OC1CCCCO1 CS-0015921 [0,1,0,1,0,0|2,0,0]=4 866 B7R1.3 OC1CCCNC1 CS-D1393 [0,1,0,1,0,0|1,0,0]=3 867 B7R1.3 OC1CCCNC1 CS-W013706 [0,1,0,1,0,0|1,0,0]=3 868 B7R1.3 OC1CCCOC1 CS-D1560 [0,1,0,1,0,0|2,0,0]=4 869 B7R1.3 OC1CCNCC1 CS-W002165 [0,1,0,1,0,0|1,0,0]=3 870 B7R1.3 OC1CCNCC1 CS-W004328 [0,1,0,1,0,0|1,0,0]=3 871 B7R1.3 OC1CCOCC1 CS-W004264 [0,1,0,1,0,0|2,0,0]=4 872 B7R1.3 OC1CCSCC1 CS-D1275 [0,1,0,1,0,0|2,0,0]=4 873 B7R1.3 OC1CNCCO1 CS-W006148 [0,1,0,1,0,0|1,0,0]=3 874 B7R1.3 OC1COCOC1 CS-W016639 [0,1,0,1,0,0|2,0,0]=4 875 B7R1.3 O[C@@H]1CCCNC1 CS-0053770 [0,1,0,1,0,0|1,0,0]=3 876 B7R1.3 O[C@H]1CCCNC1 CS-0029964 [0,1,0,1,0,0|1,0,0]=3 877 B7R1.3 O[C@H]1CCCNC1 CS-W003070 [0,1,0,1,0,0|1,0,0]=3 878 B7R1.3 [C@@H]1(N)CCCOC1 CS-W006989 [0,1,0,1,0,0|2,0,0]=4 879 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,1,0,1,0,0|1,0,0]=3 880 B7R1.3 [C@H]1(C)CCCCN1 CS-0044046 [0,1,0,1,0,0|1,0,0]=3 881 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,1,0,1,0,0|0,0,0]=2 882 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,1,0,1,0,0|0,0,0]=2 883 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,1,0,1,0,0|0,0,0]=2 884 B7R1.4 CC1CCNC1=O CS-W004958 [0,1,0,1,0,0|0,0,1]=3 885 B7R1.4 CC1CCOC1=O CS-0152675 [0,1,0,1,0,0|1,0,1]=4 886 B7R1.4 CC1OCCC1=O CS-W011324 [0,1,0,1,0,0|1,0,1]=4 887 B7R1.4 CC1OCCC1S CS-W013594 [0,1,0,1,0,0|1,0,0]=3 888 B7R1.4 CC1SCCC1=O CS-W011228 [0,1,0,1,0,0|1,0,1]=4 889 B7R1.4 CN1CCN=C1N CS-0158097 [0,1,0,1,0,0|1,0,1]=4 890 B7R1.4 CN1CCNC1=O CS-W005507 [0,1,0,1,0,0|1,0,1]=4 891 B7R1.4 CN1CCNC1=S CS-0214960 [0,1,0,1,0,0|1,0,1]=4 892 B7R1.4 C[C@H]1CNC[C@@H]1O CS-0035605 [0,1,0,1,0,0|0,0,0]=2 893 B7R1.4 F[C@H]1CNC[C@H]1F CS-0012663 [0,1,0,1,0,0|1,0,0]=3 894 B7R1.4 NC1CCNC1=O CS-0113495 [0,1,0,1,0,0|1,0,1]=4 895 B7R1.4 NC1CCOC1=O CS-0051531 [0,1,0,1,0,0|1,0,1]=4 896 B7R1.4 NC1CCSC1=O CS-0021300 [0,1,0,1,0,0|1,0,1]=4 897 B7R1.4 N[C@@H]1CCC[C@@H]1O CS-W003557 [0,1,0,1,0,0|1,0,0]=3 898 B7R1.4 N[C@@H]1CCC[C@H]1O CS-0130454 [0,1,0,1,0,0|1,0,0]=3 899 B7R1.4 N[C@@H]1CCC[C@H]1O CS-W008557 [0,1,0,1,0,0|1,0,0]=3 900 B7R1.4 N[C@@H]1CCNC1=O CS-0094049 [0,1,0,1,0,0|1,0,1]=4 901 B7R1.4 N[C@@H]1CCOC1=O CS-0022064 [0,1,0,1,0,0|1,0,1]=4 902 B7R1.4 N[C@@H]1CCSC1=O CS-0375845 [0,1,0,1,0,0|1,0,1]=4 903 B7R1.4 N[C@@H]1CNC[C@H]1F CS-0094714 [0,1,0,1,0,0|1,0,0]=3 904 B7R1.4 N[C@@H]1COC[C@@H]1N CS-0049652 [0,1,0,1,0,0|1,0,0]=3 905 B7R1.4 N[C@H]1CCC[C@@H]1O CS-W004139 [0,1,0,1,0,0|1,0,0]=3 906 B7R1.4 N[C@H]1CCC[C@H]1N CS-0049664 [0,1,0,1,0,0|1,0,0]=3 907 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [0,1,0,1,0,0|1,0,0]=3 908 B7R1.4 N[C@H]1CCNC1=O CS-W021173 [0,1,0,1,0,0|1,0,1]=4 909 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,1,0,1,0,0|1,0,1]=4 910 B7R1.4 N[C@H]1CCSC1=O CS-6394 [0,1,0,1,0,0|1,0,1]=4 911 B7R1.4 N[C@H]1COC[C@@H]1O CS-0046711 [0,1,0,1,0,0|1,0,0]=3 912 B7R1.4 N[C@H]1COC[C@@H]1O CS-0047593 [0,1,0,1,0,0|1,0,0]=3 913 B7R1.4 O=C1NCCC1O CS-W005201 [0,1,0,1,0,0|1,0,1]=4 914 B7R1.4 O=C1NCC[C@@H]1O CS-W003342 [0,1,0,1,0,0|1,0,1]=4 915 B7R1.4 O=C1NCC[C@H]1F CS-0500742 [0,1,0,1,0,0|1,0,1]=4 916 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,1,0,1,0,0|1,0,1]=4 917 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,1,0,1,0,0|2,0,0]=4 918 B7R1.4 O[C@@H]1CNC[C@@H]1F CS-0047354 [0,1,0,1,0,0|1,0,0]=3 919 B7R1.4 O[C@@H]1CNC[C@H]1F CS-0054190 [0,1,0,1,0,0|1,0,0]=3 920 B7R1.4 O[C@@H]1CNC[C@H]1O CS-0053303 [0,1,0,1,0,0|1,0,0]=3 921 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0042168 [0,1,0,1,0,0|1,0,0]=3 922 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0058680 [0,1,0,1,0,0|1,0,0]=3 923 B7R1.4 O[C@H]1CNC[C@H]1O CS-W022618 [0,1,0,1,0,0|1,0,0]=3 924 B7R1.4 O[C@H]1COC[C@H]1O CS-0049648 [0,1,0,1,0,0|2,0,0]=4 925 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,1,0,1,0,0|1,0,1]=4 926 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,1,0,1,0,0|1,0,1]=4 927 B7R1.4 [C@H]1(O)CNC[C@@H]1O CS-W005107 [0,1,0,1,0,0|1,0,0]=3 928 B7R1.6 COCC1CNC1 CS-W023140 [0,1,0,1,0,0|0,0,0]=2 929 B7R1.6 N#CCN1CCC1 CS-0184229 [0,1,0,1,0,0|1,0,1]=4 930 B7R1.6 NCCN1CCC1 CS-0127626 [0,1,0,1,0,0|1,0,0]=3 931 B7R1.6 NOCC1CCC1 CS-0145228 [0,1,0,1,0,0|0,0,0]=2 932 B7R1.6 OCCC1COC1 CS-0052216 [0,1,0,1,0,0|1,0,0]=3 933 B7R1.6 OCCN1CCC1 CS-D0268 [0,1,0,1,0,0|2,0,0]=4 934 B7R1.8 CN1CC[C@@H]1CO CS-0172773 [0,1,0,1,0,0|1,0,0]=3 935 B7R1.9 OC[C@H]1C[C@H]1CO CS-0053077 [0,1,0,1,0,0|1,0,0]=3 936 B7R1.10 C=C1CC(CO)C1 CS-0185403 [0,1,0,1,0,0|1,0,1]=4 937 B7R1.10 CC1CC(CN)C1 CS-0036376 [0,1,0,1,0,0|0,0,0]=2 938 B7R1.10 CC1CC(CO)C1 CS-0215900 [0,1,0,1,0,0|1,0,0]=3 939 B7R1.10 CCN1CC(N)C1 CS-0184403 [0,1,0,1,0,0|1,0,0]=3 940 B7R1.10 CN1CC(CN)C1 CS-0053644 [0,1,0,1,0,0|0,0,0]=2 941 B7R1.10 CN1CC(CN)C1 CS-0183702 [0,1,0,1,0,0|0,0,0]=2 942 B7R1.10 CN1CC(CO)C1 CS-0053643 [0,1,0,1,0,0|1,0,0]=3 943 B7R1.10 CNC1CC(O)C1 CS-0051674 [0,1,0,1,0,0|2,0,0]=4 944 B7R1.10 CNC1CN(C)C1 CS-0048839 [0,1,0,1,0,0|1,0,0]=3 945 B7R1.10 COC1CC(=O)C1 CS-0051289 [0,1,0,1,0,0|2,0,0]=4 946 B7R1.10 COC1CC(N)C1 CS-0051290 [0,1,0,1,0,0|1,0,0]=3 947 B7R1.10 COC1CC(O)C1 CS-0056983 [0,1,0,1,0,0|2,0,0]=4 948 B7R1.10 CO[C@H]1C[C@H](N)C1 CS-0045545 [0,1,0,1,0,0|1,0,0]=3 949 B7R1.10 N#CC1CC(O)C1 CS-0051336 [0,1,0,1,0,0|0,0,2]=4 950 B7R1.10 NCC1CC(=O)C1 CS-0045539 [0,1,0,1,0,0|0,0,1]=3 951 B7R1.10 N[C@H]1C[C@@H](CO)C1 CS-0049714 [0,1,0,1,0,0|1,0,0]=3 952 B7R1.10 O=C1CC(CBr)C1 CS-0043859 [0,1,0,1,0,0|1,0,1]=4 953 B7R1.10 O=C1CC(CCl)C1 CS-0054362 [0,1,0,1,0,0|1,0,1]=4 954 B7R1.10 O=C1CC(CO)C1 CS-0045541 [0,1,0,1,0,0|1,0,1]=4 955 B7R1.10 OCC1CC(Cl)C1 CS-0044084 [0,1,0,1,0,0|1,0,0]=3 956 B7R1.10 OCC1CC(O)C1 CS-0186717 [0,1,0,1,0,0|1,0,0]=3 957 B7R1.21 CC1(CCBr)N=N1 CS-0197123 [0,1,0,1,0,0|1,0,1]=4 958 B7R1.21 CC1(CCO)N=N1 CS-0144524 [0,1,0,1,0,0|1,0,1]=4 959 B7R1.22 CCC(N)C1CC1 CS-0052574 [0,1,0,1,0,0|2,0,0]=4 960 B7R1.22 CCC(O)C1CC1 CS-0052573 [0,1,0,1,0,0|2,0,0]=4 961 B7R1.22 NC(CO)C1CC1 CS-0075143 [0,1,0,1,0,0|2,0,0]=4 962 B7R1.22 NCC(O)C1CC1 CS-0128611 [0,1,0,1,0,0|1,0,0]=3 963 B7R1.22 N[C@@H](CO)C1CC1 CS-0111762 [0,1,0,1,0,0|2,0,0]=4 964 B7R1.22 N[C@H](CO)C1CC1 CS-0173226 [0,1,0,1,0,0|2,0,0]=4 965 B7R1.25 CC1(C#N)CNC1 CS-0038571 [0,1,0,1,0,0|0,0,2]=4 966 B7R1.25 CC1(C=O)COC1 CS-W019097 [0,1,0,1,0,0|1,0,1]=4 967 B7R1.25 CC1(CBr)CCC1 CS-0070089 [0,1,0,1,0,0|1,0,0]=3 968 B7R1.25 CC1(CBr)COC1 CS-W002970 [0,1,0,1,0,0|1,0,0]=3 969 B7R1.25 CC1(CI)COC1 CS-0051679 [0,1,0,1,0,0|1,0,0]=3 970 B7R1.25 CC1(CN)CCC1 CS-0045540 [0,1,0,1,0,0|0,0,0]=2 971 B7R1.25 CC1(CN)COC1 CS-W008726 [0,1,0,1,0,0|0,0,0]=2 972 B7R1.25 CC1(CO)CCC1 CS-0072446 [0,1,0,1,0,0|1,0,0]=3 973 B7R1.25 CC1(CO)COC1 CS-W007726 [0,1,0,1,0,0|1,0,0]=3 974 B7R1.25 CNC1(C)COC1 CS-0054899 [0,1,0,1,0,0|2,0,0]=4 975 B7R1.25 COC1(C)CNC1 CS-0035135 [0,1,0,1,0,0|1,0,0]=3 976 B7R1.25 N#CC1(O)CCC1 CS-0039879 [0,1,0,1,0,0|0,0,2]=4 977 B7R1.25 NC1(CO)CCC1 CS-0053661 [0,1,0,1,0,0|1,0,0]=3 978 B7R1.25 NC1(CO)COC1 CS-0040896 [0,1,0,1,0,0|2,0,0]=4 979 B7R1.25 NCC1(O)CCC1 CS-W005666 [0,1,0,1,0,0|0,0,0]=2 980 B7R1.25 NCC1(O)COC1 CS-0051726 [0,1,0,1,0,0|1,0,0]=3 981 B7R1.12 CC1CC1C(=O)O CS-0072900 [0,1,0,1,0,0|1,0,1]=4 982 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [0,1,0,1,0,0|1,0,1]=4 983 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [0,1,0,1,0,0|1,0,1]=4 984 B7R1.18 CC(N)C1CCC1 CS-0052584 [0,1,0,1,0,0|0,0,0]=2 985 B7R1.18 CC(O)C1CCC1 CS-W006217 [0,1,0,1,0,0|1,0,0]=3 986 B7R1.18 CN(C)C1CNC1 CS-W003613 [0,1,0,1,0,0|1,0,0]=3 987 B7R1.18 FC(F)C1CNC1 CS-0051694 [0,1,0,1,0,0|1,0,0]=3 988 B7R1.18 NC(=O)C1CCC1 CS-D0904 [0,1,0,1,0,0|0,0,1]=3 989 B7R1.18 O=C(O)C1CCC1 CS-W011325 [0,1,0,1,0,0|1,0,1]=4 990 B7R1.18 O=C(O)C1CNC1 CS-0067915 [0,1,0,1,0,0|1,0,1]=4 991 B7R1.18 O=C(O)C1CNC1 CS-W019846 [0,1,0,1,0,0|1,0,1]=4 992 B7R1.18 OB(O)C1CCC1 CS-W001218 [0,1,0,1,0,0|2,0,0]=4 993 B7R1.19 CC1(C(=O)O)CC1 CS-W000087 [0,1,0,1,0,0|1,0,1]=4 994 B7R1.19 NC(=O)C1(Br)CC1 CS-0138277 [0,1,0,1,0,0|1,0,1]=4 995 B7R1.19 NC(=O)C1(N)CC1 CS-0036086 [0,1,0,1,0,0|1,0,1]=4 996 B7R1.14 CC1(C)CCCN1 CS-W021476 [0,1,0,1,0,0|2,0,0]=4 997 B7R1.14 CC1(C)CCNC1 CS-0051614 [0,1,0,1,0,0|0,0,0]=2 998 B7R1.14 CC1(C)COCN1 CS-0072063 [0,1,0,1,0,0|2,0,0]=4 999 B7R1.14 CC1(F)CCNC1 CS-0051362 [0,1,0,1,0,0|0,0,0]=2 1000 B7R1.14 CC1(N)CCCC1 CS-0119714 [0,1,0,1,0,0|1,0,0]=3 1001 B7R1.14 CC1(N)CCOC1 CS-0184318 [0,1,0,1,0,0|1,0,0]=3 1002 B7R1.14 CC1(O)CCNC1 CS-W001685 [0,1,0,1,0,0|0,0,0]=2 1003 B7R1.14 CC1(O)CCNC1 CS-W021967 [0,1,0,1,0,0|0,0,0]=2 1004 B7R1.14 C[C@@]1(O)CCNC1 CS-0053323 [0,1,0,1,0,0|0,0,0]=2 1005 B7R1.14 C[C@@]1(O)CCNC1 CS-0183805 [0,1,0,1,0,0|0,0,0]=2 1006 B7R1.14 C[C@]1(O)CCNC1 CS-0053259 [0,1,0,1,0,0|0,0,0]=2 1007 B7R1.14 FC1(F)CCNC1 CS-0183400 [0,1,0,1,0,0|1,0,0]=3 1008 B7R1.14 FC1(F)CCNC1 CS-W001466 [0,1,0,1,0,0|1,0,0]=3 1009 B7R1.29 BrCC1(CBr)CC1 CS-0088398 [0,1,0,1,0,0|1,0,0]=3 1010 B7R1.29 COC1(CN)CC1 CS-0085230 [0,1,0,1,0,0|0,0,0]=2 1011 B7R1.29 COC1(CO)CC1 CS-0138990 [0,1,0,1,0,0|1,0,0]=3 1012 B7R1.29 N#CC1(CBr)CC1 CS-W001266 [0,1,0,1,0,0|0,0,2]=4 1013 B7R1.29 N#CC1(CN)CC1 CS-0036989 [0,1,0,1,0,0|0,0,1]=3 1014 B7R1.29 N#CC1(CO)CC1 CS-D0565 [0,1,0,1,0,0|0,0,2]=4 1015 B7R1.29 NCC1(CO)CC1 CS-0072215 [0,1,0,1,0,0|0,0,0]=2 1016 B7R1.29 OCC1(CO)CC1 CS-W002626 [0,1,0,1,0,0|1,0,0]=3 1017 B7R2.11 C1CN2CN1C2 CS-0096563 [0,0,0,2,0,0|1,0,0]=3 1018 B7R2.13 C1NCC2CC12 CS-W005878 [0,0,0,2,0,0|0,0,0]=2 1019 B7R2.13 C1OCC2OC12 CS-W016680 [0,0,0,2,0,0|2,0,0]=4 1020 B7R2.16 C1CC12CNC2 CS-0136041 [0,0,0,2,0,0|0,0,0]=2