0 B6R0.1 C#CC(=O)OCC 24547 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CCC[C@@H](N)CO 16570 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCC[C@H](N)CO 16550 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCOC(=O)CN 03073 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CCO\C(C)=N\O 31305 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.1 CNC(=O)CC#N 17980 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 CNCC(=O)OC 03135 [0,0,0,0,0,0|1,1,0]=2 7 B6R0.1 COC(=O)CCBr 06991 [0,0,0,0,0,0|1,1,0]=2 8 B6R0.1 COC(=O)CCN 04408 [0,0,0,0,0,0|1,1,0]=2 9 B5R0.1 C#CCC(=O)O 28620 [1,0,0,0,0,0|0,1,2]=4 10 B5R0.1 CC(=O)NCO 02319 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 CCOC(C)=O 00757 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.1 CCOC(C)=O 30066 [1,0,0,0,0,0|1,0,0]=2 13 B5R0.1 CCOC(N)=O 27154 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CN(C)CCN 22268 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CNCC(=O)O 01319 [1,0,0,0,0,0|1,1,0]=3 16 B5R0.1 CNCC(N)=O 06366 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 C\C=C\C(=O)O 26844 [1,0,0,0,0,0|0,1,2]=4 18 B5R0.1 N#CCC(=O)O 14385 [1,0,0,0,0,0|1,1,1]=4 19 B5R0.1 N#CCC(N)=O 27159 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 NCCC(=O)O 00324 [1,0,0,0,0,0|1,1,0]=3 21 B5R0.1 NCCC(N)=O 04406 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 O=C(O)CCBr 24459 [1,0,0,0,0,0|1,1,0]=3 23 B5R0.2 C#CCCCC 27224 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.2 COCCCCl 17320 [1,0,0,0,0,0|1,1,1]=4 25 B5R0.2 COCCOC 03668 [1,0,0,0,0,0|1,1,1]=4 26 B5R0.2 CSCCCO 29789 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.3 CCN(C)CC 22533 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.3 CNC(=O)CN 03070 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.3 CNC(=O)NC 02542 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.3 COC(=O)CBr 14023 [1,0,0,0,0,0|1,1,0]=3 31 B5R0.3 COC(=O)CN 03074 [1,0,0,0,0,0|1,1,0]=3 32 B7R0.2 CC(C)OC(=O)CN 12060 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.2 CCC(=O)\C=C(/C)O 24068 [0,1,0,0,0,0|1,0,2]=4 34 B7R0.2 COC(=O)\C=C(/C)N 27821 [0,1,0,0,0,0|0,1,2]=4 35 B7R0.2 COC(C)CC(C)O 14430 [0,1,0,0,0,0|1,1,1]=4 36 B7R0.3 COC(=O)CCCBr 27605 [0,1,0,0,0,0|0,1,0]=2 37 B7R0.3 COC(=O)CCCN 31340 [0,1,0,0,0,0|0,1,0]=2 38 B7R0.5 CCCC(=O)C(=O)[O-] 20956 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.5 CCOC(=O)C(C)=O 21912 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.5 CCOC(=O)C(C)N 06028 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.5 CCOC(=O)C(C)O 27780 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.5 CCOC(=O)C(F)Br 24578 [0,1,0,0,0,0|3,0,0]=4 43 B7R0.5 CCOC(=O)C(F)F 27362 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.5 CCOC(=O)[C@@H](C)N 12380 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.5 CCOC(=O)[C@H](C)N 03015 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.5 CNCC(=O)N(C)C 06367 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.7 CCCN(C)CCC 22423 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.7 CCOC(=O)C=[N+]=[N-] 31540 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.7 CCOC(=O)CCBr 26742 [0,1,0,0,0,0|1,1,0]=3 50 B7R0.7 CCOC(=O)CCN 06221 [0,1,0,0,0,0|1,1,0]=3 51 B7R0.7 CCOC(=O)CNC 12102 [0,1,0,0,0,0|1,1,0]=3 52 B7R0.7 CCO[PH](=O)OCC 12722 [0,1,0,0,0,0|2,1,0]=4 53 B7R0.7 O=C(CCO)CCO 18449 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.10 CN[C@@H](C)C(=O)OC 16403 [0,1,0,0,0,0|1,1,0]=3 55 B7R0.10 COC(=O)C(N)CO 01960 [0,1,0,0,0,0|1,1,0]=3 56 B7R0.10 COC(=O)[C@@H](N)CCl 06228 [0,1,0,0,0,0|1,1,0]=3 57 B7R0.10 COC(=O)[C@@H](N)CO 00261 [0,1,0,0,0,0|1,1,0]=3 58 B7R0.10 COC(=O)[C@@H](N)CS 12007 [0,1,0,0,0,0|1,1,0]=3 59 B7R0.10 COC(=O)[C@H](N)CO 03136 [0,1,0,0,0,0|1,1,0]=3 60 B7R0.10 N[C@@H](CCl)C(=O)NO 06225 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.11 CCS(=O)(=O)CCN 23939 [0,1,0,0,0,0|3,0,0]=4 62 B7R1.1 ON=C1CCCC1 26775 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.2 O=C1CSC(=O)N1 26950 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.3 BrC1CCCCC1 26900 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.3 CC1CCCCN1 24503 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.3 CN1CCCCC1 27069 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.3 ClC1CCCCC1 26901 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.3 NC1CCCCC1 03599 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.3 O=C1C=CCCC1 31546 [0,0,0,1,0,0|1,0,1]=3 70 B7R1.3 O=C1CCCNC1 14263 [0,0,0,1,0,0|2,0,0]=3 71 B7R1.3 O=C1CCCOC1 19383 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.3 O=C1CCOCC1 16995 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.3 OC1CCCCC1 00484 [0,0,0,1,0,0|1,0,2]=4 74 B7R1.4 CC1OCCC1=O 29783 [0,0,0,1,0,0|2,0,0]=3 75 B7R1.4 CN1CCCC1=O 00741 [0,0,0,1,0,0|1,0,0]=2 76 B7R1.4 CN1CCCC1=O 30063 [0,0,0,1,0,0|1,0,0]=2 77 B7R1.4 CN1CCSC1=S 28101 [0,0,0,1,0,0|2,1,0]=4 78 B7R1.22 [C@@H]1(C(=O)OC)CO1 16521 [0,0,0,1,0,0|1,1,0]=3 79 B4R0.1 C=C(C)CN 22406 [2,0,0,0,0,0|2,0,0]=4 80 B4R0.1 CC(=O)O[Ag] 27325 [2,0,0,0,0,0|1,1,0]=4 81 B4R0.1 CC(=O)O[TlH2] 01944 [2,0,0,0,0,0|1,1,0]=4 82 B4R0.1 CCC(=O)O 01518 [2,0,0,0,0,0|0,1,0]=3 83 B4R0.1 CCC(=O)O 30086 [2,0,0,0,0,0|0,1,0]=3 84 B4R0.1 CCC(=O)[O-] 01519 [2,0,0,0,0,0|0,1,0]=3 85 B4R0.1 CNC(C)=O 27186 [2,0,0,0,0,0|1,0,0]=3 86 B4R0.1 COC(C)=N 02332 [2,0,0,0,0,0|1,1,0]=4 87 B4R0.1 CSC(=N)N 29498 [2,0,0,0,0,0|2,0,0]=4 88 B4R0.1 NC(=O)CBr 00841 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.1 NC(=O)CI 02327 [2,0,0,0,0,0|2,0,0]=4 90 B4R0.1 NC(=O)CO 22515 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.1 NCC(=O)O 00163 [2,0,0,0,0,0|1,1,0]=4 92 B4R0.1 NCC(=O)O 00164 [2,0,0,0,0,0|1,1,0]=4 93 B4R0.1 NCC(=O)O 32005 [2,0,0,0,0,0|1,1,0]=4 94 B4R0.1 NCC(=O)[O-] 21750 [2,0,0,0,0,0|1,1,0]=4 95 B4R0.1 NCC(N)=O 01302 [2,0,0,0,0,0|2,0,0]=4 96 B4R0.1 NCC(N)=O 06066 [2,0,0,0,0,0|2,0,0]=4 97 B4R0.1 O=C(O)CBr 26843 [2,0,0,0,0,0|1,1,0]=4 98 B4R0.1 O=C(O)CCl 32016 [2,0,0,0,0,0|1,1,0]=4 99 B4R0.1 O=C(O)CS 01637 [2,0,0,0,0,0|1,1,0]=4 100 B4R0.1 O=C([O-])CS 00276 [2,0,0,0,0,0|1,1,0]=4 101 B4R0.2 C#CCCC 27222 [2,0,0,0,0,0|0,0,2]=4 102 B4R0.2 C=CCCBr 24439 [2,0,0,0,0,0|1,0,1]=4 103 B4R0.2 CCCCBr 24440 [2,0,0,0,0,0|1,0,1]=4 104 B4R0.2 CCNCC 14089 [2,0,0,0,0,0|1,0,1]=4 105 B4R0.2 CNCCCl 22455 [2,0,0,0,0,0|2,0,0]=4 106 B4R0.2 COCCBr 26740 [2,0,0,0,0,0|1,1,0]=4 107 B6R0.2 CC(=O)CC(C)=O 02346 [1,1,0,0,0,0|0,0,1]=3 108 B6R0.2 CC(=O)OC(C)=O 00819 [1,1,0,0,0,0|1,0,1]=4 109 B6R0.2 CC(=O)OC(C)=O 30148 [1,1,0,0,0,0|1,0,1]=4 110 B6R0.2 CC(Cl)CN(C)C 00117 [1,1,0,0,0,0|2,0,0]=4 111 B6R0.2 CC(N)CC(=O)O 21614 [1,1,0,0,0,0|0,1,0]=3 112 B6R0.2 CC(O)CC(=O)[O-] 22037 [1,1,0,0,0,0|0,1,0]=3 113 B6R0.2 C[C@@H](N)CC(=O)O 16636 [1,1,0,0,0,0|0,1,0]=3 114 B6R0.2 C[C@H](N)CC(=O)O 12762 [1,1,0,0,0,0|0,1,0]=3 115 B6R0.2 C[C@H](N)CC(=O)O 21056 [1,1,0,0,0,0|0,1,0]=3 116 B6R0.3 CC(CN)C(=O)O 21653 [1,1,0,0,0,0|1,1,0]=4 117 B6R0.3 CCC(=O)C(=O)[O-] 00470 [1,1,0,0,0,0|0,1,1]=4 118 B6R0.3 CCC(O)C(=O)[O-] 21649 [1,1,0,0,0,0|0,1,0]=3 119 B6R0.3 CC[C@@H](N)C(=O)O 00806 [1,1,0,0,0,0|0,1,0]=3 120 B6R0.3 CC[C@H](N)C(=O)O 01432 [1,1,0,0,0,0|0,1,0]=3 121 B6R0.3 CC[C@H](N)C(N)=O 05812 [1,1,0,0,0,0|1,0,0]=3 122 B6R0.3 CC[C@H](N)C(N)=O 11653 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.3 CC[C@H](O)C(=O)O 21126 [1,1,0,0,0,0|0,1,0]=3 124 B6R0.3 CNC(C)C(=O)O 06342 [1,1,0,0,0,0|1,1,0]=4 125 B6R0.3 CN[C@@H](C)C(=O)O 02647 [1,1,0,0,0,0|1,1,0]=4 126 B6R0.3 CN[C@H](C)C(=O)O 04405 [1,1,0,0,0,0|1,1,0]=4 127 B6R0.3 CON(C)C(C)=O 31364 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.3 NC(=O)[C@@H](N)CO 09121 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.3 NC(CCl)C(=O)O 06231 [1,1,0,0,0,0|1,1,0]=4 130 B6R0.3 NC(CF)C(=O)O 07044 [1,1,0,0,0,0|1,1,0]=4 131 B6R0.3 NC(CO)C(=O)O 00556 [1,1,0,0,0,0|1,1,0]=4 132 B6R0.3 NC(CS)C(=O)O 21500 [1,1,0,0,0,0|1,1,0]=4 133 B6R0.3 NC(CS)C(=O)O 21624 [1,1,0,0,0,0|1,1,0]=4 134 B6R0.3 NC(CS)C(=O)O 21654 [1,1,0,0,0,0|1,1,0]=4 135 B6R0.3 NCC(N)C(=O)O 21559 [1,1,0,0,0,0|1,1,0]=4 136 B6R0.3 NCC(O)C(=O)O 07068 [1,1,0,0,0,0|1,1,0]=4 137 B6R0.3 NC[C@@H](N)C(=O)O 05645 [1,1,0,0,0,0|1,1,0]=4 138 B6R0.3 NC[C@H](N)C(=O)O 01314 [1,1,0,0,0,0|1,1,0]=4 139 B6R0.3 N[C@@H](CCl)C(=O)O 06226 [1,1,0,0,0,0|1,1,0]=4 140 B6R0.3 N[C@@H](CCl)C(=O)O 06227 [1,1,0,0,0,0|1,1,0]=4 141 B6R0.3 N[C@@H](CO)C(=O)O 00279 [1,1,0,0,0,0|1,1,0]=4 142 B6R0.3 N[C@@H](CS)C(=O)O 00085 [1,1,0,0,0,0|1,1,0]=4 143 B6R0.3 N[C@@H](CS)C(=O)O 00087 [1,1,0,0,0,0|1,1,0]=4 144 B6R0.3 N[C@@H](CS)C(=O)O 00437 [1,1,0,0,0,0|1,1,0]=4 145 B6R0.3 N[C@@H](CS)C(=O)O 24758 [1,1,0,0,0,0|1,1,0]=4 146 B6R0.3 N[C@@H](CS)C(=O)O 31108 [1,1,0,0,0,0|1,1,0]=4 147 B6R0.3 N[C@H](CCl)C(=O)O 06229 [1,1,0,0,0,0|1,1,0]=4 148 B6R0.3 N[C@H](CO)C(=O)O 00262 [1,1,0,0,0,0|1,1,0]=4 149 B6R0.3 N[C@H](CS)C(=O)O 00086 [1,1,0,0,0,0|1,1,0]=4 150 B6R0.3 N[C@H](CS)C(=O)O 21754 [1,1,0,0,0,0|1,1,0]=4 151 B6R0.4 C#CCCC(=O)O 26911 [1,1,0,0,0,0|0,1,1]=4 152 B6R0.4 C#CCCC(=O)O 29558 [1,1,0,0,0,0|0,1,1]=4 153 B6R0.4 CCCNC(C)C 22381 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.4 NCCCC(=O)O 04887 [1,1,0,0,0,0|0,1,0]=3 155 B6R0.4 O=C(O)CCCBr 26847 [1,1,0,0,0,0|0,1,0]=3 156 B6R0.4 O=C(O)CCCS 22299 [1,1,0,0,0,0|0,1,0]=3 157 B6R0.5 CCCP(=O)(O)O 31334 [1,1,0,0,0,0|1,1,0]=4 158 B6R0.5 CCCS(=O)(=O)[O-] 22958 [1,1,0,0,0,0|1,1,0]=4 159 B6R0.5 CS(=O)(=O)CCN 23676 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.6 CC\C=C/CCO 29788 [1,1,0,0,0,0|1,0,1]=4 161 B8R0.2 CC(C)[C@H](N)C(=O)CCl 14401 [0,2,0,0,0,0|2,0,0]=4 162 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O 06244 [0,2,0,0,0,0|1,0,0]=3 163 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O 14419 [0,2,0,0,0,0|1,0,0]=3 164 B8R0.2 COC(=O)C(N)C(C)C 12374 [0,2,0,0,0,0|0,1,0]=3 165 B8R0.2 COC(=O)[C@@H](N)C(C)C 01826 [0,2,0,0,0,0|0,1,0]=3 166 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O 03145 [0,2,0,0,0,0|0,1,0]=3 167 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O 05847 [0,2,0,0,0,0|0,1,0]=3 168 B8R0.2 COC(=O)[C@H](N)C(C)C 06014 [0,2,0,0,0,0|0,1,0]=3 169 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O 14934 [0,2,0,0,0,0|0,1,0]=3 170 B8R0.2 COC(=O)[C@H](N)[C@H](C)O 06009 [0,2,0,0,0,0|0,1,0]=3 171 B8R0.5 CCOC(=O)CC(C)O 22039 [0,2,0,0,0,0|0,1,0]=3 172 B8R0.19 COC(=O)CC(=O)OC 31543 [0,2,0,0,0,0|0,1,1]=4 173 B8R0.23 CC(C)OC(=O)[C@H](C)N 14881 [0,2,0,0,0,0|2,0,0]=4 174 B8R0.1 CCNC(=O)NCCN 24079 [0,2,0,0,0,0|2,0,0]=4 175 B8R0.3 C#CC[C@H](N)C(=O)OC 06193 [0,2,0,0,0,0|0,1,1]=4 176 B8R0.3 CCCC(N)C(=O)OC 06036 [0,2,0,0,0,0|0,1,0]=3 177 B8R0.3 CCC[C@H](N)C(=O)OC 06144 [0,2,0,0,0,0|0,1,0]=3 178 B8R0.3 CCOC(=O)C(Cl)CCl 22575 [0,2,0,0,0,0|1,1,0]=4 179 B8R0.3 CCOC(=O)C(O)CC 21169 [0,2,0,0,0,0|0,1,0]=3 180 B8R0.3 CCOC(=O)[C@@H](N)CO 06691 [0,2,0,0,0,0|1,1,0]=4 181 B8R0.3 CCOC(=O)[C@@H](N)CS 00628 [0,2,0,0,0,0|1,1,0]=4 182 B8R0.3 CCOC(=O)[C@H](N)CO 12430 [0,2,0,0,0,0|1,1,0]=4 183 B8R0.3 CCOC(=O)[C@H](N)CS 29770 [0,2,0,0,0,0|1,1,0]=4 184 B8R0.6 COC(=O)CCCCBr 26743 [0,2,0,0,0,0|0,1,0]=3 185 B8R0.6 COC(=O)CCCCCl 27779 [0,2,0,0,0,0|0,1,0]=3 186 B8R0.8 CN(C)C(=O)CCCCl 24320 [0,2,0,0,0,0|1,0,0]=3 187 B8R0.9 CNC(=O)CNC(C)=O 04358 [0,2,0,0,0,0|1,0,1]=4 188 B8R0.14 CCOC(=O)C(C)(C)N 14868 [0,2,0,0,0,0|2,0,0]=4 189 B8R0.15 CCC[C@H](NC)C(=O)O 09615 [0,2,0,0,0,0|1,0,1]=4 190 B6R1.2 BrC1CCCC1 14052 [1,0,0,1,0,0|1,0,1]=4 191 B6R1.2 CC1=NCCC1 29954 [1,0,0,1,0,0|1,0,0]=3 192 B6R1.2 ClC1CCCC1 26772 [1,0,0,1,0,0|1,0,1]=4 193 B6R1.2 N=C1CCCS1 02326 [1,0,0,1,0,0|1,0,0]=3 194 B6R1.2 O=C1CCCC1 26774 [1,0,0,1,0,0|0,0,0]=2 195 B6R1.2 O=C1CCCN1 26934 [1,0,0,1,0,0|1,0,0]=3 196 B6R1.2 O=C1CCNC1 31268 [1,0,0,1,0,0|1,0,0]=3 197 B6R1.2 O=C1CCSC1 29785 [1,0,0,1,0,0|1,0,0]=3 198 B6R1.2 O=C1NCCN1 01974 [1,0,0,1,0,0|2,0,0]=4 199 B6R1.2 O=C1NCCO1 31325 [1,0,0,1,0,0|1,1,0]=4 200 B6R1.11 N=C(N)C1CC1 31280 [1,0,0,1,0,0|2,0,0]=4 201 B6R1.1 C1=CCCCC1 27684 [1,0,0,1,0,0|1,0,0]=3 202 B6R1.1 C1=COCCC1 12988 [1,0,0,1,0,0|0,1,1]=4 203 B6R1.1 C1CCNCC1 02351 [1,0,0,1,0,0|1,0,1]=4 204 B6R1.1 C1CSCCN1 22053 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.1 NCC1CCC(=O)N1 19074 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.1 O=C1CC[C@@H](CO)N1 06624 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.4 CC1=CC(=O)CCC1 26783 [0,1,0,1,0,0|1,0,0]=3 208 B8R1.4 O=C1CCCC(=O)C1 24452 [0,1,0,1,0,0|1,0,1]=4 209 B8R1.40 NCC(=O)NC1CC1 18684 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.2 O=CC1CCCCC1 24451 [0,1,0,1,0,0|1,0,1]=4 211 B8R1.5 CN1CCNCC1=O 17612 [0,1,0,1,0,0|1,0,0]=3 212 B8R1.5 CN1CCNCC1=O 19845 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.5 O=C1CCCCC1=O 02296 [0,1,0,1,0,0|1,0,0]=3 214 B8R1.38 COC(=O)C1CCN1 18169 [0,1,0,1,0,0|0,1,0]=3 215 B8R1.50 CN1CCN(C)C1=O 12724 [0,1,0,1,0,0|2,0,0]=4 216 B8R1.50 O=C1OC[C@@H](O)[C@H]1O 32193 [0,1,0,1,0,0|1,1,0]=4 217 B8R1.37 N#CCC(=O)C1CC1 20127 [0,1,0,1,0,0|1,0,1]=4 218 B8R1.11 C=CN1CCCC1=O 26863 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.11 CCN1CCCC1=O 26864 [0,1,0,1,0,0|1,0,0]=3