0 B4R0.2 C=CCCO SPC-t137 [1,0,0,0,0,0|1,1,0]=3 1 B6R0.4 CC\C=C\C(=O)O SPC-t510 [0,1,0,0,0,0|1,0,2]=4 2 B6R0.6 ICCCCCI SPC-m904 [0,1,0,0,0,0|2,0,1]=4 3 B6R1.1 C1=CCNCC1 SPC-g659 [0,0,0,1,0,0|2,0,0]=3 4 B6R1.1 C1=CCOCC1 SPC-h047 [0,0,0,1,0,0|1,1,0]=3 5 B6R1.1 C1CSCCN1 SPC-g309 [0,0,0,1,0,0|2,0,0]=3 6 B6R1.1 C1CSCSC1 SPC-s111 [0,0,0,1,0,0|0,1,1]=3 7 B6R1.2 Br[C@H]1CCOC1 SPC-h137 [0,0,0,1,0,0|1,1,1]=4 8 B6R1.2 C[C@@H]1CCCN1 SPC-n701 [0,0,0,1,0,0|2,0,1]=4 9 B6R1.2 C[C@H]1CCCN1 SPC-r295 [0,0,0,1,0,0|2,0,1]=4 10 B6R1.2 F[C@@H]1CCNC1 SPC-g912 [0,0,0,1,0,0|2,0,1]=4 11 B6R1.2 F[C@@H]1CCNC1 SPC-s680 [0,0,0,1,0,0|2,0,1]=4 12 B6R1.2 F[C@H]1CCNC1 SPC-h119 [0,0,0,1,0,0|2,0,1]=4 13 B6R1.2 F[C@H]1CCNC1 SPC-j083 [0,0,0,1,0,0|2,0,1]=4 14 B6R1.2 IC1=COCC1 SPC-t718 [0,0,0,1,0,0|1,1,1]=4 15 B6R1.2 IC1CCCC1 SPC-n407 [0,0,0,1,0,0|2,0,1]=4 16 B6R1.2 I[C@H]1CCOC1 SPC-h290 [0,0,0,1,0,0|1,1,1]=4 17 B6R1.2 I[C@H]1CCOC1 SPC-j336 [0,0,0,1,0,0|1,1,1]=4 18 B6R1.2 N[C@@H]1CCOC1 SPC-g913 [0,0,0,1,0,0|1,1,1]=4 19 B6R1.2 N[C@H]1CCOC1 SPC-g942 [0,0,0,1,0,0|1,1,1]=4 20 B6R1.2 N[C@H]1CCOC1 SPC-g966 [0,0,0,1,0,0|1,1,1]=4 21 B6R1.2 O=C1C=CCC1 SPC-g207 [0,0,0,1,0,0|1,0,1]=3 22 B6R1.2 O=C1C=CCO1 SPC-t619 [0,0,0,1,0,0|2,0,1]=4 23 B6R1.2 O=C1CCNC1 SPC-g182 [0,0,0,1,0,0|1,0,0]=2 24 B6R1.2 O=C1CCOC1 SPC-g234 [0,0,0,1,0,0|0,1,0]=2 25 B6R1.2 O[C@@H]1CCNC1 SPC-g149 [0,0,0,1,0,0|1,0,2]=4 26 B6R1.2 O[C@@H]1CCOC1 SPC-g564 [0,0,0,1,0,0|0,1,2]=4 27 B6R1.2 O[C@H]1CCNC1 SPC-g033 [0,0,0,1,0,0|1,0,2]=4 28 B6R1.2 O[C@H]1CCNC1 SPC-g282 [0,0,0,1,0,0|1,0,2]=4 29 B6R1.2 O[C@H]1CCNC1 SPC-g363 [0,0,0,1,0,0|1,0,2]=4 30 B6R1.2 O[C@H]1CCOC1 SPC-g096 [0,0,0,1,0,0|0,1,2]=4 31 B6R1.2 O[C@H]1CCOC1 SPC-g256 [0,0,0,1,0,0|0,1,2]=4 32 B6R1.3 CNCC1CC1 SPC-h311 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.3 ICCC1CC1 SPC-k255 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.3 N#CCC1CC1 SPC-t648 [0,0,0,1,0,0|2,0,1]=4 35 B6R1.3 NCCC1CC1 SPC-t690 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.3 NNCC1CC1 SPC-k402 [0,0,0,1,0,0|3,0,0]=4 37 B6R1.3 OCCC1CC1 SPC-h056 [0,0,0,1,0,0|1,0,2]=4 38 B6R1.4 C[C@@H]1OCC1=O SPC-p252 [0,0,0,1,0,0|2,0,0]=3 39 B6R1.4 N[C@@H]1CNC1=O SPC-u597 [0,0,0,1,0,0|3,0,0]=4 40 B6R1.4 N[C@H]1CNC1=O SPC-s686 [0,0,0,1,0,0|3,0,0]=4 41 B6R1.4 O=C1CC[C@@H]1Br SPC-u765 [0,0,0,1,0,0|2,0,0]=3 42 B6R1.6 BrCC1COC1 SPC-i089 [0,0,0,1,0,0|1,1,1]=4 43 B6R1.6 C#CC1CNC1 SPC-u916 [0,0,0,1,0,0|2,0,1]=4 44 B6R1.6 C#CC1COC1 SPC-u963 [0,0,0,1,0,0|1,1,1]=4 45 B6R1.6 CNC1CNC1 SPC-i584 [0,0,0,1,0,0|3,0,0]=4 46 B6R1.6 CNC1COC1 SPC-a021 [0,0,0,1,0,0|2,1,0]=4 47 B6R1.6 COC1CNC1 SPC-g356 [0,0,0,1,0,0|2,1,0]=4 48 B6R1.6 CSC1CNC1 SPC-h865 [0,0,0,1,0,0|2,0,0]=3 49 B6R1.6 CSC1CNC1 SPC-u349 [0,0,0,1,0,0|2,0,0]=3 50 B6R1.6 ClCC1COC1 SPC-t682 [0,0,0,1,0,0|1,1,1]=4 51 B6R1.6 FCC1CNC1 SPC-v205 [0,0,0,1,0,0|2,0,1]=4 52 B6R1.6 ICC1CCC1 SPC-m826 [0,0,0,1,0,0|2,0,1]=4 53 B6R1.6 ICC1COC1 SPC-i045 [0,0,0,1,0,0|1,1,1]=4 54 B6R1.6 N#CC1CNC1 SPC-g567 [0,0,0,1,0,0|2,0,1]=4 55 B6R1.6 NCC1CCC1 SPC-a097 [0,0,0,1,0,0|2,0,1]=4 56 B6R1.6 NCC1CCC1 SPC-g882 [0,0,0,1,0,0|2,0,1]=4 57 B6R1.6 NCC1COC1 SPC-a020 [0,0,0,1,0,0|1,1,1]=4 58 B6R1.6 NCC1COC1 SPC-n824 [0,0,0,1,0,0|1,1,1]=4 59 B6R1.6 NCC1CSC1 SPC-a104 [0,0,0,1,0,0|1,0,1]=3 60 B6R1.6 NCC1CSC1 SPC-i360 [0,0,0,1,0,0|1,0,1]=3 61 B6R1.6 O=CC1COC1 SPC-r007 [0,0,0,1,0,0|0,1,0]=2 62 B6R1.6 OCC1CNC1 SPC-a250 [0,0,0,1,0,0|1,0,2]=4 63 B6R1.6 OCC1CNC1 SPC-j113 [0,0,0,1,0,0|1,0,2]=4 64 B6R1.6 OCC1COC1 SPC-a076 [0,0,0,1,0,0|0,1,2]=4 65 B6R1.6 OCC1CSC1 SPC-i307 [0,0,0,1,0,0|0,0,2]=3 66 B5R0.1 CCC[C@H](C)N SPC-k309 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.1 C[C@@H](N)CCO SPC-g658 [1,1,0,0,0,0|0,0,2]=4 68 B5R0.1 C[C@H](N)CCO SPC-n760 [1,1,0,0,0,0|0,0,2]=4 69 B7R0.8 COCCS(=O)(=O)Cl SPC-u178 [0,2,0,0,0,0|1,1,0]=4 70 B5R1.2 BrC1CCC1 SPC-p925 [1,0,0,1,0,0|1,0,1]=4 71 B5R1.2 BrC1CNC1 SPC-h907 [1,0,0,1,0,0|2,0,0]=4 72 B5R1.2 BrC1CNC1 SPC-h907 [1,0,0,1,0,0|2,0,0]=4 73 B5R1.2 BrC1COC1 SPC-g331 [1,0,0,1,0,0|1,1,0]=4 74 B5R1.2 CC1CNC1 SPC-h149 [1,0,0,1,0,0|1,0,1]=4 75 B5R1.2 C[C@H]1CCN1 SPC-i601 [1,0,0,1,0,0|1,0,1]=4 76 B5R1.2 ClC1CNC1 SPC-h126 [1,0,0,1,0,0|2,0,0]=4 77 B5R1.2 ClC1COC1 SPC-s928 [1,0,0,1,0,0|1,1,0]=4 78 B5R1.2 FC1CNC1 SPC-g878 [1,0,0,1,0,0|2,0,0]=4 79 B5R1.2 IC1CCC1 SPC-t191 [1,0,0,1,0,0|1,0,1]=4 80 B5R1.2 IC1COC1 SPC-a300 [1,0,0,1,0,0|1,1,0]=4 81 B5R1.2 NC1CCC1 SPC-a094 [1,0,0,1,0,0|1,0,1]=4 82 B5R1.2 NC1CNC1 SPC-h131 [1,0,0,1,0,0|2,0,0]=4 83 B5R1.2 NC1COC1 SPC-a019 [1,0,0,1,0,0|1,1,0]=4 84 B5R1.2 NC1CSC1 SPC-i072 [1,0,0,1,0,0|1,0,0]=3 85 B5R1.2 O=C1CCN1 SPC-t120 [1,0,0,1,0,0|1,0,0]=3 86 B5R1.2 O=C1CNC1 SPC-h722 [1,0,0,1,0,0|1,0,0]=3 87 B5R1.2 O=C1CSC1 SPC-a100 [1,0,0,1,0,0|0,0,0]=2 88 B5R1.2 OC1CNC1 SPC-a234 [1,0,0,1,0,0|1,0,1]=4 89 B5R1.2 OC1COC1 SPC-a002 [1,0,0,1,0,0|0,1,1]=4 90 B5R1.2 OC1CSC1 SPC-t361 [1,0,0,1,0,0|0,0,1]=3 91 B5R1.2 SC1CNC1 SPC-i180 [1,0,0,1,0,0|1,1,0]=4 92 B5R1.2 SC1COC1 SPC-h701 [1,0,0,1,0,0|0,2,0]=4 93 B5R1.3 CNC1CC1 SPC-g900 [1,0,0,1,0,0|1,0,1]=4 94 B5R1.3 OC[C@H]1CO1 SPC-t630 [1,0,0,1,0,0|0,1,1]=4 95 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m128 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m129 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m820 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-t534 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.2 O=C1CCC(=O)C1 SPC-h715 [0,1,0,1,0,0|1,0,0]=3 102 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [0,1,0,1,0,0|1,0,0]=3 103 B7R1.2 O=C1CNC(=O)C1 SPC-n497 [0,1,0,1,0,0|1,0,1]=4 104 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.2 O=C1C[C@@H](S)CN1 SPC-u488 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.3 C=C1CCOCC1 SPC-m646 [0,1,0,1,0,0|1,1,0]=4 107 B7R1.3 CC1=CCCNC1 SPC-m637 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.3 CC1=CCNCC1 SPC-h455 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.3 NC1CCSCC1 SPC-a111 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.3 O=C1C=CCOC1 SPC-s270 [0,1,0,1,0,0|0,1,1]=4 111 B7R1.3 O=C1CCCNC1 SPC-q237 [0,1,0,1,0,0|1,0,0]=3 112 B7R1.3 O=C1CCCOC1 SPC-g865 [0,1,0,1,0,0|0,1,0]=3 113 B7R1.3 O=C1CCCSC1 SPC-k221 [0,1,0,1,0,0|0,0,0]=2 114 B7R1.3 O=C1CCOCC1 SPC-g072 [0,1,0,1,0,0|0,1,0]=3 115 B7R1.3 O=C1CCSCC1 SPC-g130 [0,1,0,1,0,0|0,0,0]=2 116 B7R1.3 O=C1CNCCN1 SPC-g151 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.3 O=C1COCCN1 SPC-g147 [0,1,0,1,0,0|0,1,0]=3 118 B7R1.4 N[C@H]1CCNC1=O SPC-u507 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.4 N[C@H]1CCOC1=O SPC-s908 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.6 C=CCC1CNC1 SPC-i312 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.6 N#CC=C1CSC1 SPC-a102 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.6 O=CC=C1COC1 SPC-a010 [0,1,0,1,0,0|0,1,1]=4 123 B7R1.8 O=C1CC[C@@H]1CO SPC-p096 [0,1,0,1,0,0|1,0,0]=3 124 B7R1.10 COC1CC(=O)C1 SPC-i084 [0,1,0,1,0,0|0,1,0]=3 125 B7R1.10 N#CC1CC(=O)C1 SPC-h767 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.10 O=C1CC(CBr)C1 SPC-h451 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.10 O=C1CC(CCl)C1 SPC-i140 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.10 O=C1CC(CO)C1 SPC-h515 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.10 O=C1C[C@H](CO)N1 SPC-t669 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.25 C=CC1(N)COC1 SPC-w026 [0,1,0,1,0,0|1,1,0]=4 131 B7R1.25 C=CC1(O)COC1 SPC-i524 [0,1,0,1,0,0|1,1,0]=4 132 B7R1.25 CC1(C=O)COC1 SPC-a029 [0,1,0,1,0,0|0,1,0]=3 133 B7R1.25 CC1(CO)CSC1 SPC-a105 [0,1,0,1,0,0|0,0,2]=4 134 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [0,1,0,1,0,0|1,0,0]=3 135 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [0,1,0,1,0,0|1,0,0]=3 136 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [0,1,0,1,0,0|1,0,0]=3 137 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [0,1,0,1,0,0|1,0,0]=3 138 B7R1.12 O=C(O)C1CC1F SPC-s871 [0,1,0,1,0,0|2,0,0]=4 139 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SPC-s015 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-s012 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-t365 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.12 O=C(O)[C@H]1C[C@@H]1F SPC-s008 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-s005 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-t140 [0,1,0,1,0,0|2,0,0]=4 145 B7R1.14 N=S1(=O)CCCC1 SPC-w059 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.17 CC1(C)CCC1=O SPC-s190 [0,1,0,1,0,0|1,0,0]=3 147 B7R1.17 CC1(C)OCC1=O SPC-r001 [0,1,0,1,0,0|2,0,0]=4 148 B7R1.18 CC(=O)C1CCC1 SPC-h776 [0,1,0,1,0,0|1,0,0]=3 149 B7R1.18 CC(=O)C1COC1 SPC-r005 [0,1,0,1,0,0|0,1,0]=3 150 B7R1.18 N=C(N)C1CCC1 SPC-h880 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.18 NC(=O)C1CNC1 SPC-h816 [0,1,0,1,0,0|1,0,0]=3 152 B7R1.18 O=C(O)C1CCC1 SPC-a107 [0,1,0,1,0,0|1,0,0]=3 153 B7R1.18 O=C(O)C1CNC1 SPC-g671 [0,1,0,1,0,0|1,0,0]=3 154 B7R1.18 O=C(O)C1COC1 SPC-a017 [0,1,0,1,0,0|0,1,0]=3 155 B7R1.18 O=C(O)C1CSC1 SPC-a106 [0,1,0,1,0,0|0,0,0]=2 156 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-g935 [0,1,0,1,0,0|2,0,0]=4 157 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-h064 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-a304 [0,1,0,1,0,0|2,0,0]=4 159 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-u910 [0,1,0,1,0,0|2,0,0]=4 160 B7R1.18 O=C(O)[C@H]1CCN1 SPC-h200 [0,1,0,1,0,0|2,0,0]=4 161 B7R1.18 O=C(O)[C@H]1CCO1 SPC-u911 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.18 O=[N+]([O-])C1COC1 SPC-p415 [0,1,0,1,0,0|1,1,0]=4 163 B7R1.20 O=C(O)CC1CC1 SPC-g479 [0,1,0,1,0,0|1,0,0]=3 164 B7R1.20 O=C(O)C[C@H]1CO1 SPC-v405 [0,1,0,1,0,0|0,1,0]=3