0 B8R1.22 C[C@H]1CCNCCN1 SPC-n217 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.22 F[C@H]1CCCNCC1 SPC-p568 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.22 O=C1CCNCCN1 SPC-q669 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.48 C[C@H]1CC(=O)NCCN1 SPC-p861 [0,1,0,0,0,0|1,0,0]=2 4 B9R1.49 CN1CCC[C@H](N)CC1 SPC-j079 [0,1,0,0,0,0|3,0,0]=4 5 B7R0.7 [C-]#[N+]CC(=O)OCC SPC-q003 [0,0,1,0,0,0|2,0,1]=4 6 B9R2.6 NC12CCCCC1C2 SPC-u593 [0,0,0,1,0,0|2,0,1]=4 7 B9R2.68 C1CC2CCC(C1)N2 SPC-n293 [0,0,0,1,0,0|2,0,1]=4 8 B9R2.68 C1CN2CCC(C2)N1 SPC-m216 [0,0,0,1,0,0|2,0,1]=4 9 B9R2.109 O=C1CCCC2CC12 SPC-p917 [0,0,0,1,0,0|1,0,0]=2 10 B9R2.123 NC1C2CCCCC12 SPC-v263 [0,0,0,1,0,0|2,0,1]=4 11 B7R1.3 BrC1CCOCC1 SPC-g434 [0,0,0,0,1,0|2,0,1]=4 12 B7R1.3 C=C1CCOCC1 SPC-m646 [0,0,0,0,1,0|2,0,0]=3 13 B7R1.3 CC1=CCCNC1 SPC-m637 [0,0,0,0,1,0|2,0,1]=4 14 B7R1.3 CC1=CCNCC1 SPC-h455 [0,0,0,0,1,0|2,0,1]=4 15 B7R1.3 C[C@@H]1CNCCN1 SPC-g041 [0,0,0,0,1,0|2,0,1]=4 16 B7R1.3 C[C@@H]1COCCN1 SPC-g660 [0,0,0,0,1,0|2,0,1]=4 17 B7R1.3 C[C@H]1COCCN1 SPC-m696 [0,0,0,0,1,0|2,0,1]=4 18 B7R1.3 FC1CCNCC1 SPC-g555 [0,0,0,0,1,0|2,0,1]=4 19 B7R1.3 F[C@@H]1CCCNC1 SPC-i353 [0,0,0,0,1,0|2,0,1]=4 20 B7R1.3 F[C@H]1CCCNC1 SPC-i164 [0,0,0,0,1,0|2,0,1]=4 21 B7R1.3 F[C@H]1CCCNC1 SPC-j119 [0,0,0,0,1,0|2,0,1]=4 22 B7R1.3 IC1CCOCC1 SPC-g782 [0,0,0,0,1,0|2,0,1]=4 23 B7R1.3 NC1CCOCC1 SPC-g166 [0,0,0,0,1,0|2,0,1]=4 24 B7R1.3 NC1CCSCC1 SPC-a111 [0,0,0,0,1,0|2,0,1]=4 25 B7R1.3 N[C@@H]1CCCOC1 SPC-s681 [0,0,0,0,1,0|2,0,1]=4 26 B7R1.3 N[C@H]1CCCOC1 SPC-n767 [0,0,0,0,1,0|2,0,1]=4 27 B7R1.3 O=C1C=CCOC1 SPC-s270 [0,0,0,0,1,0|1,0,2]=4 28 B7R1.3 O=C1CCCNC1 SPC-q237 [0,0,0,0,1,0|1,0,0]=2 29 B7R1.3 O=C1CCCOC1 SPC-g865 [0,0,0,0,1,0|1,0,0]=2 30 B7R1.3 O=C1CCCSC1 SPC-k221 [0,0,0,0,1,0|1,0,0]=2 31 B7R1.3 O=C1CCOCC1 SPC-g072 [0,0,0,0,1,0|1,0,0]=2 32 B7R1.3 O=C1CCSCC1 SPC-g130 [0,0,0,0,1,0|1,0,0]=2 33 B7R1.3 O=C1CNCCN1 SPC-g151 [0,0,0,0,1,0|1,0,0]=2 34 B7R1.3 O=C1COCCN1 SPC-g147 [0,0,0,0,1,0|1,0,0]=2 35 B7R1.3 OC1CCOCC1 SPC-g695 [0,0,0,0,1,0|1,0,2]=4 36 B7R1.3 O[C@@H]1CCCNC1 SPC-j185 [0,0,0,0,1,0|1,0,2]=4 37 B7R1.3 O[C@@H]1CCCOC1 SPC-u362 [0,0,0,0,1,0|1,0,2]=4 38 B7R1.3 O[C@H]1CCCNC1 SPC-g006 [0,0,0,0,1,0|1,0,2]=4 39 B7R1.3 O[C@H]1CCCNC1 SPC-g045 [0,0,0,0,1,0|1,0,2]=4 40 B7R1.3 O[C@H]1CCCNC1 SPC-h058 [0,0,0,0,1,0|1,0,2]=4 41 B7R1.3 O[C@H]1CCCOC1 SPC-h213 [0,0,0,0,1,0|1,0,2]=4 42 B7R1.3 O[C@H]1CCCOC1 SPC-u595 [0,0,0,0,1,0|1,0,2]=4 43 B7R1.3 SC1CCNCC1 SPC-m332 [0,0,0,0,1,0|1,1,1]=4 44 B7R1.3 S[C@H]1CCCNC1 SPC-n485 [0,0,0,0,1,0|1,1,1]=4 45 B6R0.6 ICCCCCI SPC-m904 [1,0,1,0,0,0|2,0,0]=4 46 B8R0.21 CCCCCS(N)(=O)=O SPC-u444 [0,1,1,0,0,0|1,0,0]=3 47 B8R1.2 BrCC1=CCCCC1 SPC-j295 [0,1,0,0,1,0|1,0,1]=4 48 B8R1.2 N#C[C@@H]1CCCCN1 SPC-p920 [0,1,0,0,1,0|1,0,1]=4 49 B8R1.2 N#C[C@@H]1CCCCN1 SPC-s671 [0,1,0,0,1,0|1,0,1]=4 50 B8R1.2 N#C[C@H]1CCCCN1 SPC-s657 [0,1,0,0,1,0|1,0,1]=4 51 B8R1.3 CN1CCC(N)CC1 SPC-j190 [0,1,0,0,1,0|2,0,0]=4 52 B8R1.3 C[C@@H]1C=CC(=O)CC1 SPC-s978 [0,1,0,0,1,0|0,0,2]=4 53 B8R1.3 C[C@@H]1CNC(=O)CN1 SPC-u069 [0,1,0,0,1,0|1,0,0]=3 54 B8R1.3 C[C@H]1CCC(=O)NC1 SPC-p145 [0,1,0,0,1,0|0,0,0]=2 55 B8R1.3 C[C@H]1CC[C@@H](O)CN1 SPC-u032 [0,1,0,0,1,0|1,0,1]=4 56 B8R1.3 C[C@H]1CNC(=O)CN1 SPC-n806 [0,1,0,0,1,0|1,0,0]=3 57 B8R1.3 N[C@@H]1CCC(=O)NC1 SPC-r045 [0,1,0,0,1,0|0,0,0]=2 58 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-h503 [0,1,0,0,1,0|0,0,0]=2 59 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-r044 [0,1,0,0,1,0|0,0,0]=2 60 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SPC-g837 [0,1,0,0,1,0|0,0,2]=4 61 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SPC-k248 [0,1,0,0,1,0|0,0,2]=4 62 B8R1.3 O=C1CCC(F)CC1 SPC-u525 [0,1,0,0,1,0|0,0,0]=2 63 B8R1.3 O[C@H]1CC[C@@H](O)CC1 SPC-n343 [0,1,0,0,1,0|0,0,2]=4 64 B8R1.3 O[C@H]1CC[C@H](O)CC1 SPC-n631 [0,1,0,0,1,0|0,0,2]=4 65 B8R1.4 CC1CC(O)CCN1 SPC-p253 [0,1,0,0,1,0|1,0,1]=4 66 B8R1.4 CC1CC(O)CCN1 SPC-r050 [0,1,0,0,1,0|1,0,1]=4 67 B8R1.4 CN1CCC[C@@H](O)C1 SPC-j194 [0,1,0,0,1,0|2,0,0]=4 68 B8R1.4 CN1CCC[C@H](O)C1 SPC-j195 [0,1,0,0,1,0|2,0,0]=4 69 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [0,1,0,0,1,0|1,0,0]=3 70 B8R1.4 C[C@@H]1CNCC(=O)N1 SPC-n811 [0,1,0,0,1,0|1,0,0]=3 71 B8R1.4 C[C@@H]1C[C@H](O)CCN1 SPC-m097 [0,1,0,0,1,0|1,0,1]=4 72 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [0,1,0,0,1,0|1,0,0]=3 73 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [0,1,0,0,1,0|1,0,0]=3 74 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [0,1,0,0,1,0|1,0,0]=3 75 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [0,1,0,0,1,0|1,0,0]=3 76 B8R1.4 C[C@H]1CCNC(=O)C1 SPC-p144 [0,1,0,0,1,0|0,0,0]=2 77 B8R1.4 C[C@H]1CNCC(=O)N1 SPC-n812 [0,1,0,0,1,0|1,0,0]=3 78 B8R1.4 C[C@H]1C[C@@H](O)CCN1 SPC-u060 [0,1,0,0,1,0|1,0,1]=4 79 B8R1.4 N[C@@H]1COCC(=O)C1 SPC-u616 [0,1,0,0,1,0|1,0,0]=3 80 B8R1.4 N[C@H]1CCC[C@@H](N)C1 SPC-q760 [0,1,0,0,1,0|1,0,1]=4 81 B8R1.4 N[C@H]1CCC[C@H](F)C1 SPC-u860 [0,1,0,0,1,0|1,0,1]=4 82 B8R1.4 N[C@H]1CCC[C@H](N)C1 SPC-n678 [0,1,0,0,1,0|1,0,1]=4 83 B8R1.4 N[C@H]1CCC[C@H](O)C1 SPC-n635 [0,1,0,0,1,0|0,0,2]=4 84 B8R1.4 N[C@H]1CCNC(=O)C1 SPC-j029 [0,1,0,0,1,0|0,0,0]=2 85 B8R1.4 O=C1CCC[C@H](O)C1 SPC-p385 [0,1,0,0,1,0|0,0,0]=2 86 B8R1.4 O=C1CCNC(=O)C1 SPC-g649 [0,1,0,0,1,0|0,0,1]=3 87 B8R1.4 O=C1CNCC(=O)N1 SPC-r025 [0,1,0,0,1,0|1,0,1]=4 88 B8R1.4 O=C1COCC(=O)C1 SPC-k937 [0,1,0,0,1,0|1,0,1]=4 89 B8R1.4 O=C1CSCC(=O)C1 SPC-t654 [0,1,0,0,1,0|1,0,1]=4 90 B8R1.5 CN1CCNCC1=O SPC-j564 [0,1,0,0,1,0|1,0,0]=3 91 B8R1.5 CN1CCNCC1=O SPC-r023 [0,1,0,0,1,0|1,0,0]=3 92 B8R1.5 C[C@@H]1CCCN[C@@H]1C SPC-u259 [0,1,0,0,1,0|1,0,1]=4 93 B8R1.5 C[C@H]1CNCCC1=O SPC-n076 [0,1,0,0,1,0|1,0,0]=3 94 B8R1.5 C[C@H]1COCCC1=O SPC-p410 [0,1,0,0,1,0|1,0,0]=3 95 B8R1.5 N[C@@H]1CCCC[C@H]1F SPC-v023 [0,1,0,0,1,0|1,0,1]=4 96 B8R1.5 N[C@@H]1CCCC[C@H]1N SPC-k252 [0,1,0,0,1,0|1,0,1]=4 97 B8R1.5 N[C@@H]1CCCC[C@H]1O SPC-t809 [0,1,0,0,1,0|0,0,2]=4 98 B8R1.5 O=C1CCNC[C@@H]1F SPC-g858 [0,1,0,0,1,0|1,0,0]=3 99 B8R1.5 O=C1CCOC[C@@H]1Br SPC-h143 [0,1,0,0,1,0|1,0,0]=3 100 B8R1.5 O=C1CCOC[C@@H]1F SPC-p380 [0,1,0,0,1,0|1,0,0]=3 101 B8R1.72 N=S1(=O)CCCCC1 SPC-w060 [0,1,0,0,1,0|1,0,0]=3 102 B8R1.72 O=S1(=O)CCNCC1 SPC-g281 [0,1,0,0,1,0|2,0,0]=4 103 B10R1.275 O=C1CCCCC(O)=C1F SPC-u977 [0,2,0,0,0,0|1,0,1]=4 104 B8R1.8 CNC[C@@H]1CCCN1 SPC-u242 [0,0,1,1,0,0|2,0,0]=4 105 B8R1.8 CNC[C@H]1CCCN1 SPC-u243 [0,0,1,1,0,0|2,0,0]=4 106 B8R1.8 COC[C@@H]1CCCN1 SPC-t889 [0,0,1,1,0,0|2,0,0]=4 107 B8R1.8 OCC[C@H]1CCCN1 SPC-u092 [0,0,1,1,0,0|0,0,2]=4 108 B8R1.11 CN1CCC[C@@H]1CN SPC-m569 [0,0,1,1,0,0|2,0,0]=4 109 B8R1.11 CN1CCC[C@H]1CN SPC-h913 [0,0,1,1,0,0|2,0,0]=4 110 B8R1.11 O=C1NCC[C@@H]1CO SPC-k007 [0,0,1,1,0,0|1,0,0]=3 111 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m273 [0,0,1,1,0,0|1,0,0]=3 112 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m274 [0,0,1,1,0,0|1,0,0]=3 113 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-p435 [0,0,1,1,0,0|1,0,0]=3 114 B8R1.1 NC[C@@H]1CNC(=O)O1 SPC-n802 [0,0,1,1,0,0|2,0,0]=4 115 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m271 [0,0,1,1,0,0|1,0,0]=3 116 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m272 [0,0,1,1,0,0|1,0,0]=3 117 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-j887 [0,0,1,1,0,0|2,0,0]=4 118 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-q943 [0,0,1,1,0,0|2,0,0]=4 119 B8R1.1 NC[C@H]1COC(=O)N1 SPC-p433 [0,0,1,1,0,0|2,0,0]=4 120 B8R1.1 O=C1CC[C@@H](CO)N1 SPC-g157 [0,0,1,1,0,0|1,0,0]=3 121 B8R1.1 O=C1CC[C@H](CO)N1 SPC-n804 [0,0,1,1,0,0|1,0,0]=3 122 B8R1.38 COC(=O)C1CNC1 SPC-g203 [0,0,1,1,0,0|2,0,0]=4 123 B8R1.38 COC(=O)C1COC1 SPC-i614 [0,0,1,1,0,0|2,0,0]=4 124 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-h839 [0,0,1,1,0,0|2,0,0]=4 125 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-m118 [0,0,1,1,0,0|2,0,0]=4 126 B8R1.38 COC(=O)[C@H]1CCN1 SPC-h849 [0,0,1,1,0,0|2,0,0]=4 127 B8R1.38 O=C(CBr)C1CCC1 SPC-t926 [0,0,1,1,0,0|2,0,0]=4 128 B8R1.40 COC(=O)CC1CC1 SPC-k723 [0,0,1,1,0,0|1,0,0]=3 129 B8R1.7 C[C@H](N)C1CCCC1 SPC-s771 [0,0,1,1,0,0|1,0,1]=4 130 B8R1.7 NC(=O)[C@@H]1CCCN1 SPC-m512 [0,0,1,1,0,0|1,0,0]=3 131 B8R1.7 NC(=O)[C@@H]1CCNC1 SPC-i613 [0,0,1,1,0,0|1,0,0]=3 132 B8R1.7 NC(=O)[C@H]1CCNC1 SPC-h374 [0,0,1,1,0,0|1,0,0]=3 133 B8R1.7 NC(=O)[C@H]1CCNC1 SPC-j214 [0,0,1,1,0,0|1,0,0]=3 134 B8R1.7 NC(=O)[C@H]1CCOC1 SPC-m339 [0,0,1,1,0,0|1,0,0]=3 135 B8R1.7 O=C(O)C1CCCC1 SPC-k222 [0,0,1,1,0,0|1,0,0]=3 136 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-n752 [0,0,1,1,0,0|2,0,0]=4 137 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-s684 [0,0,1,1,0,0|2,0,0]=4 138 B8R1.7 O=C(O)[C@@H]1CCOC1 SPC-h613 [0,0,1,1,0,0|2,0,0]=4 139 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-g474 [0,0,1,1,0,0|2,0,0]=4 140 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-j200 [0,0,1,1,0,0|2,0,0]=4 141 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-t662 [0,0,1,1,0,0|2,0,0]=4 142 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-g501 [0,0,1,1,0,0|2,0,0]=4 143 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-j337 [0,0,1,1,0,0|2,0,0]=4 144 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,0,1,1,0,0|2,0,0]=4 145 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,0,1,1,0,0|2,0,0]=4 146 B8R1.31 CN1CC[C@@H]1C(=O)O SPC-i181 [0,0,1,1,0,0|2,0,0]=4 147 B8R1.31 CN1CC[C@H]1C(=O)O SPC-p175 [0,0,1,1,0,0|2,0,0]=4 148 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O SPC-p138 [0,0,1,1,0,0|2,0,0]=4 149 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O SPC-v548 [0,0,1,1,0,0|2,0,0]=4 150 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O SPC-i928 [0,0,1,1,0,0|2,0,0]=4 151 B8R1.31 N[C@H]1CC[C@H]1C(=O)O SPC-i929 [0,0,1,1,0,0|2,0,0]=4 152 B8R1.34 CC(=O)NC1CNC1 SPC-h896 [0,0,1,1,0,0|1,0,0]=3 153 B8R1.34 O=C(O)CC1CCC1 SPC-a096 [0,0,1,1,0,0|1,0,0]=3 154 B8R1.34 O=C(O)CC1CNC1 SPC-h769 [0,0,1,1,0,0|2,0,0]=4 155 B8R1.34 O=C(O)CC1COC1 SPC-a018 [0,0,1,1,0,0|2,0,0]=4 156 B8R1.43 NCC1CC1C(=O)O SPC-v399 [0,0,1,1,0,0|2,0,0]=4 157 B8R1.37 CCCC(=O)C1CC1 SPC-u760 [0,0,1,1,0,0|1,0,0]=3 158 B8R1.37 CCOC(=O)[C@@H]1CO1 SPC-g805 [0,0,1,1,0,0|2,0,0]=4 159 B8R2.22 C1C[C@H]2CNC[C@@H]12 SPC-w302 [1,0,0,1,0,0|0,0,1]=3 160 B8R2.25 C1CNC2CC2N1 SPC-s209 [1,0,0,1,0,0|1,0,1]=4 161 B8R2.18 NC1CC2CC2C1 SPC-k477 [0,0,0,1,1,0|1,0,1]=4 162 B8R2.18 OC1CC2CC2C1 SPC-u478 [0,0,0,1,1,0|0,0,2]=4 163 B8R2.23 C1CC2CC(C1)N2 SPC-w304 [0,0,0,1,1,0|1,0,1]=4 164 B8R2.34 C1CC2CC1CN2 SPC-p168 [0,0,0,1,1,0|1,0,1]=4 165 B8R2.34 C1CC2CCC1N2 SPC-m545 [0,0,0,1,1,0|1,0,1]=4 166 B8R2.34 C1CC2CCC1N2 SPC-m546 [0,0,0,1,1,0|1,0,1]=4 167 B10R2.2 O=C1CC2CNCC2C1 SPC-k053 [0,0,0,1,0,1|1,0,0]=3 168 B10R2.2 O=C1CC2CSCC2C1 SPC-k037 [0,0,0,1,0,1|1,0,0]=3 169 B10R2.32 O=C1NC[C@@H]2CCN[C@H]12 SPC-p956 [0,0,0,1,0,1|0,0,0]=2 170 B10R2.178 O=C1CCC2CCC1N2 SPC-p868 [0,1,0,1,0,0|1,0,0]=3 171 B10R2.178 O=C1NCC2CCC1N2 SPC-n091 [0,1,0,1,0,0|0,0,0]=2 172 B10R2.42 O=C1OC(=O)C2CCC12 SPC-p417 [0,1,0,1,0,0|1,0,1]=4 173 B10R2.71 O=C1CC2CCC(C1)C2 SPC-j939 [0,1,0,1,0,0|1,0,0]=3 174 B10R2.71 O=C1CC2CCC(C1)N2 SPC-g260 [0,1,0,1,0,0|1,0,0]=3 175 B10R2.71 O=C1CC2CCC(C1)O2 SPC-h399 [0,1,0,1,0,0|1,0,0]=3 176 B6R1.1 C1=CCNCC1 SPC-g659 [1,0,0,0,1,0|0,0,2]=4 177 B6R1.1 C1=CCOCC1 SPC-h047 [1,0,0,0,1,0|1,0,1]=4 178 B6R1.1 C1CSCCN1 SPC-g309 [1,0,0,0,1,0|1,0,0]=3 179 B6R1.1 C1CSCSC1 SPC-s111 [1,0,0,0,1,0|2,0,0]=4 180 B6R1.2 C[C@@H]1CCCN1 SPC-n701 [0,0,0,0,2,0|1,0,1]=4 181 B6R1.2 C[C@H]1CCCN1 SPC-r295 [0,0,0,0,2,0|1,0,1]=4 182 B6R1.2 IC1CCCC1 SPC-n407 [0,0,0,0,2,0|1,0,1]=4 183 B6R1.2 O=C1C=CCC1 SPC-g207 [0,0,0,0,2,0|0,0,2]=4 184 B6R1.2 O=C1CCNC1 SPC-g182 [0,0,0,0,2,0|1,0,0]=3 185 B6R1.2 O=C1CCOC1 SPC-g234 [0,0,0,0,2,0|1,0,0]=3