0 B6R1.1 C1=CCNCC1 SPC-g659 [0,0,0,0,0,0|1,0,2]=3 1 B6R1.1 C1=CCOCC1 SPC-h047 [0,0,0,0,0,0|1,0,2]=3 2 B6R1.1 C1CSCCN1 SPC-g309 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.1 C1CSCSC1 SPC-s111 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 BrC1CCOCC1 SPC-g434 [0,1,0,0,0,0|1,0,0]=2 5 B7R1.3 C=C1CCOCC1 SPC-m646 [0,1,0,0,0,0|1,0,1]=3 6 B7R1.3 CC1=CCCNC1 SPC-m637 [0,1,0,0,0,0|1,0,2]=4 7 B7R1.3 CC1=CCNCC1 SPC-h455 [0,1,0,0,0,0|1,0,2]=4 8 B7R1.3 C[C@@H]1CNCCN1 SPC-g041 [0,1,0,0,0,0|2,0,0]=3 9 B7R1.3 C[C@@H]1CNCCO1 SPC-n699 [0,1,0,0,0,0|2,0,0]=3 10 B7R1.3 C[C@@H]1COCCN1 SPC-g660 [0,1,0,0,0,0|2,0,0]=3 11 B7R1.3 C[C@H]1CNCCO1 SPC-m798 [0,1,0,0,0,0|2,0,0]=3 12 B7R1.3 C[C@H]1COCCN1 SPC-m696 [0,1,0,0,0,0|2,0,0]=3 13 B7R1.3 FC1CCNCC1 SPC-g555 [0,1,0,0,0,0|1,0,0]=2 14 B7R1.3 F[C@@H]1CCCNC1 SPC-i353 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.3 F[C@H]1CCCNC1 SPC-i164 [0,1,0,0,0,0|1,0,0]=2 16 B7R1.3 F[C@H]1CCCNC1 SPC-j119 [0,1,0,0,0,0|1,0,0]=2 17 B7R1.3 IC1CCOCC1 SPC-g782 [0,1,0,0,0,0|1,0,0]=2 18 B7R1.3 NC1CCOCC1 SPC-g166 [0,1,0,0,0,0|1,0,0]=2 19 B7R1.3 NC1CCSCC1 SPC-a111 [0,1,0,0,0,0|1,0,0]=2 20 B7R1.3 N[C@@H]1CCCOC1 SPC-s681 [0,1,0,0,0,0|1,0,0]=2 21 B7R1.3 N[C@H]1CCCOC1 SPC-n767 [0,1,0,0,0,0|1,0,0]=2 22 B7R1.3 O=C1CCCNC1 SPC-q237 [0,1,0,0,0,0|1,0,1]=3 23 B7R1.3 O=C1CCCOC1 SPC-g865 [0,1,0,0,0,0|1,0,1]=3 24 B7R1.3 O=C1CCCSC1 SPC-k221 [0,1,0,0,0,0|1,0,1]=3 25 B7R1.3 O=C1CCOCC1 SPC-g072 [0,1,0,0,0,0|1,0,1]=3 26 B7R1.3 O=C1CCSCC1 SPC-g130 [0,1,0,0,0,0|1,0,1]=3 27 B7R1.3 O=C1CNCCN1 SPC-g151 [0,1,0,0,0,0|2,0,1]=4 28 B7R1.3 O=C1COCCN1 SPC-g147 [0,1,0,0,0,0|2,0,1]=4 29 B7R1.3 OC1CCOCC1 SPC-g695 [0,1,0,0,0,0|1,0,0]=2 30 B7R1.3 O[C@@H]1CCCNC1 SPC-j185 [0,1,0,0,0,0|1,0,0]=2 31 B7R1.3 O[C@@H]1CCCOC1 SPC-u362 [0,1,0,0,0,0|1,0,0]=2 32 B7R1.3 O[C@H]1CCCNC1 SPC-g006 [0,1,0,0,0,0|1,0,0]=2 33 B7R1.3 O[C@H]1CCCNC1 SPC-g045 [0,1,0,0,0,0|1,0,0]=2 34 B7R1.3 O[C@H]1CCCNC1 SPC-h058 [0,1,0,0,0,0|1,0,0]=2 35 B7R1.3 O[C@H]1CCCOC1 SPC-h213 [0,1,0,0,0,0|1,0,0]=2 36 B7R1.3 O[C@H]1CCCOC1 SPC-u595 [0,1,0,0,0,0|1,0,0]=2 37 B7R1.3 SC1CCNCC1 SPC-m332 [0,1,0,0,0,0|1,0,0]=2 38 B7R1.3 S[C@H]1CCCNC1 SPC-n485 [0,1,0,0,0,0|1,0,0]=2 39 B7R2.13 C1CC2CC2N1 SPC-p171 [0,0,0,1,0,0|1,0,0]=2 40 B7R2.13 C1NCC2CC12 SPC-a322 [0,0,0,1,0,0|1,0,0]=2 41 B6R0.6 ICCCCCI SPC-m904 [0,1,1,0,0,0|1,0,0]=3 42 B6R1.2 Br[C@H]1CCOC1 SPC-h137 [0,1,0,0,1,0|1,0,0]=3 43 B6R1.2 C[C@@H]1CCCN1 SPC-n701 [0,1,0,0,1,0|1,0,0]=3 44 B6R1.2 C[C@H]1CCCN1 SPC-r295 [0,1,0,0,1,0|1,0,0]=3 45 B6R1.2 F[C@@H]1CCNC1 SPC-g912 [0,1,0,0,1,0|1,0,0]=3 46 B6R1.2 F[C@@H]1CCNC1 SPC-s680 [0,1,0,0,1,0|1,0,0]=3 47 B6R1.2 F[C@H]1CCNC1 SPC-h119 [0,1,0,0,1,0|1,0,0]=3 48 B6R1.2 F[C@H]1CCNC1 SPC-j083 [0,1,0,0,1,0|1,0,0]=3 49 B6R1.2 IC1CCCC1 SPC-n407 [0,1,0,0,1,0|0,0,0]=2 50 B6R1.2 I[C@H]1CCOC1 SPC-h290 [0,1,0,0,1,0|1,0,0]=3 51 B6R1.2 I[C@H]1CCOC1 SPC-j336 [0,1,0,0,1,0|1,0,0]=3 52 B6R1.2 N[C@@H]1CCOC1 SPC-g913 [0,1,0,0,1,0|1,0,0]=3 53 B6R1.2 N[C@H]1CCOC1 SPC-g942 [0,1,0,0,1,0|1,0,0]=3 54 B6R1.2 N[C@H]1CCOC1 SPC-g966 [0,1,0,0,1,0|1,0,0]=3 55 B6R1.2 O=C1CCNC1 SPC-g182 [0,1,0,0,1,0|1,0,1]=4 56 B6R1.2 O=C1CCOC1 SPC-g234 [0,1,0,0,1,0|1,0,1]=4 57 B6R1.2 OC1CC=CC1 SPC-n355 [0,1,0,0,1,0|0,0,2]=4 58 B6R1.2 O[C@@H]1CCNC1 SPC-g149 [0,1,0,0,1,0|1,0,0]=3 59 B6R1.2 O[C@@H]1CCOC1 SPC-g564 [0,1,0,0,1,0|1,0,0]=3 60 B6R1.2 O[C@H]1CCNC1 SPC-g033 [0,1,0,0,1,0|1,0,0]=3 61 B6R1.2 O[C@H]1CCNC1 SPC-g282 [0,1,0,0,1,0|1,0,0]=3 62 B6R1.2 O[C@H]1CCNC1 SPC-g363 [0,1,0,0,1,0|1,0,0]=3 63 B6R1.2 O[C@H]1CCOC1 SPC-g096 [0,1,0,0,1,0|1,0,0]=3 64 B6R1.2 O[C@H]1CCOC1 SPC-g256 [0,1,0,0,1,0|1,0,0]=3 65 B8R1.22 C[C@H]1CCNCCN1 SPC-n217 [0,1,0,0,0,1|1,0,0]=3 66 B8R1.22 F[C@H]1CCCNCC1 SPC-p568 [0,1,0,0,0,1|0,0,0]=2 67 B8R1.22 O=C1CCNCCN1 SPC-q669 [0,1,0,0,0,1|1,0,1]=4 68 B8R1.22 OC1CNCCNC1 SPC-v334 [0,1,0,0,0,1|1,0,0]=3 69 B8R1.2 BrCC1=CCCCC1 SPC-j295 [0,2,0,0,0,0|0,0,2]=4 70 B8R1.2 BrCC1CCNCC1 SPC-j960 [0,2,0,0,0,0|1,0,0]=3 71 B8R1.2 BrCC1CCOCC1 SPC-g566 [0,2,0,0,0,0|1,0,0]=3 72 B8R1.2 BrC[C@H]1CCCOC1 SPC-h690 [0,2,0,0,0,0|1,0,0]=3 73 B8R1.2 C#CC1CCNCC1 SPC-i535 [0,2,0,0,0,0|1,0,0]=3 74 B8R1.2 C#CC1CCOCC1 SPC-h622 [0,2,0,0,0,0|1,0,0]=3 75 B8R1.2 C#CC1CCSCC1 SPC-t009 [0,2,0,0,0,0|1,0,0]=3 76 B8R1.2 C#C[C@H]1CCCNC1 SPC-p374 [0,2,0,0,0,0|1,0,0]=3 77 B8R1.2 CNC1CCNCC1 SPC-q226 [0,2,0,0,0,0|1,0,0]=3 78 B8R1.2 CNC1CCOCC1 SPC-j064 [0,2,0,0,0,0|1,0,0]=3 79 B8R1.2 COC1CCNCC1 SPC-g777 [0,2,0,0,0,0|1,0,0]=3 80 B8R1.2 COC1CCNCC1 SPC-n150 [0,2,0,0,0,0|1,0,0]=3 81 B8R1.2 CO[C@@H]1CCCNC1 SPC-r030 [0,2,0,0,0,0|1,0,0]=3 82 B8R1.2 CO[C@H]1CCCNC1 SPC-h111 [0,2,0,0,0,0|1,0,0]=3 83 B8R1.2 CO[C@H]1CCCNC1 SPC-j189 [0,2,0,0,0,0|1,0,0]=3 84 B8R1.2 CSC1CCNCC1 SPC-g968 [0,2,0,0,0,0|1,0,0]=3 85 B8R1.2 ClCC1CCNCC1 SPC-s961 [0,2,0,0,0,0|1,0,0]=3 86 B8R1.2 FCC1CCNCC1 SPC-n102 [0,2,0,0,0,0|1,0,0]=3 87 B8R1.2 ICC1CCOCC1 SPC-g906 [0,2,0,0,0,0|1,0,0]=3 88 B8R1.2 N#CC1CCNCC1 SPC-j199 [0,2,0,0,0,0|1,0,0]=3 89 B8R1.2 N#CC1CCOCC1 SPC-g531 [0,2,0,0,0,0|1,0,0]=3 90 B8R1.2 N#CC1CCSCC1 SPC-n629 [0,2,0,0,0,0|1,0,0]=3 91 B8R1.2 N#C[C@@H]1CCCCN1 SPC-p920 [0,2,0,0,0,0|1,0,0]=3 92 B8R1.2 N#C[C@@H]1CCCCN1 SPC-s671 [0,2,0,0,0,0|1,0,0]=3 93 B8R1.2 N#C[C@@H]1CCCNC1 SPC-m702 [0,2,0,0,0,0|1,0,0]=3 94 B8R1.2 N#C[C@H]1CCCCN1 SPC-s657 [0,2,0,0,0,0|1,0,0]=3 95 B8R1.2 N#C[C@H]1CCCNC1 SPC-h106 [0,2,0,0,0,0|1,0,0]=3 96 B8R1.2 N#C[C@H]1CCCNC1 SPC-q605 [0,2,0,0,0,0|1,0,0]=3 97 B8R1.2 NCC1CCOCC1 SPC-g253 [0,2,0,0,0,0|1,0,0]=3 98 B8R1.2 NCC1CCSCC1 SPC-j796 [0,2,0,0,0,0|1,0,0]=3 99 B8R1.2 NCC1CCSCC1 SPC-t703 [0,2,0,0,0,0|1,0,0]=3 100 B8R1.2 NC[C@@H]1CCCOC1 SPC-n840 [0,2,0,0,0,0|1,0,0]=3 101 B8R1.2 NC[C@@H]1COCCO1 SPC-m446 [0,2,0,0,0,0|2,0,0]=4 102 B8R1.2 NC[C@H]1CCCOC1 SPC-n838 [0,2,0,0,0,0|1,0,0]=3 103 B8R1.2 NC[C@H]1CCCOC1 SPC-r352 [0,2,0,0,0,0|1,0,0]=3 104 B8R1.2 NC[C@H]1COCCO1 SPC-i566 [0,2,0,0,0,0|2,0,0]=4 105 B8R1.2 NNC1CCOCC1 SPC-m554 [0,2,0,0,0,0|1,0,0]=3 106 B8R1.2 NN[C@H]1CCCOC1 SPC-t975 [0,2,0,0,0,0|1,0,0]=3 107 B8R1.2 OCC1CCNCC1 SPC-g261 [0,2,0,0,0,0|1,0,0]=3 108 B8R1.2 OCC1CCOCC1 SPC-g300 [0,2,0,0,0,0|1,0,0]=3 109 B8R1.2 OC[C@@H]1CCCCO1 SPC-v087 [0,2,0,0,0,0|1,0,0]=3 110 B8R1.2 OC[C@@H]1CCCNC1 SPC-v455 [0,2,0,0,0,0|1,0,0]=3 111 B8R1.2 OC[C@@H]1CCCOC1 SPC-v644 [0,2,0,0,0,0|1,0,0]=3 112 B8R1.2 OC[C@@H]1CNCCO1 SPC-q930 [0,2,0,0,0,0|2,0,0]=4 113 B8R1.2 OC[C@@H]1COCCO1 SPC-u546 [0,2,0,0,0,0|2,0,0]=4 114 B8R1.2 OC[C@H]1CCCCO1 SPC-s718 [0,2,0,0,0,0|1,0,0]=3 115 B8R1.2 OC[C@H]1CCCCO1 SPC-v058 [0,2,0,0,0,0|1,0,0]=3 116 B8R1.2 OC[C@H]1CCCOC1 SPC-h333 [0,2,0,0,0,0|1,0,0]=3 117 B8R1.2 OC[C@H]1CCCOC1 SPC-u991 [0,2,0,0,0,0|1,0,0]=3 118 B8R1.2 OC[C@H]1CNCCO1 SPC-q931 [0,2,0,0,0,0|2,0,0]=4 119 B8R1.2 OC[C@H]1COCCN1 SPC-n823 [0,2,0,0,0,0|2,0,0]=4 120 B8R1.3 CN1CCC(N)CC1 SPC-j190 [0,2,0,0,0,0|1,0,0]=3 121 B8R1.3 C[C@H]1CCC(=O)NC1 SPC-p145 [0,2,0,0,0,0|1,0,1]=4 122 B8R1.3 C[C@H]1CC[C@@H](O)CN1 SPC-u032 [0,2,0,0,0,0|1,0,0]=3 123 B8R1.3 N[C@@H]1CCC(=O)NC1 SPC-r045 [0,2,0,0,0,0|1,0,1]=4 124 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-h503 [0,2,0,0,0,0|1,0,1]=4 125 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-r044 [0,2,0,0,0,0|1,0,1]=4 126 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SPC-g837 [0,2,0,0,0,0|0,0,0]=2 127 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SPC-k248 [0,2,0,0,0,0|0,0,0]=2 128 B8R1.3 O=C1CCC(F)CC1 SPC-u525 [0,2,0,0,0,0|0,0,1]=3 129 B8R1.3 O[C@H]1CC[C@@H](O)CC1 SPC-n343 [0,2,0,0,0,0|0,0,0]=2 130 B8R1.3 O[C@H]1CC[C@H](O)CC1 SPC-n631 [0,2,0,0,0,0|0,0,0]=2 131 B8R1.4 CC1CC(N)CCO1 SPC-m997 [0,2,0,0,0,0|1,0,0]=3 132 B8R1.4 CC1CC(O)CCN1 SPC-p253 [0,2,0,0,0,0|1,0,0]=3 133 B8R1.4 CC1CC(O)CCN1 SPC-r050 [0,2,0,0,0,0|1,0,0]=3 134 B8R1.4 CC1CC(O)CCO1 SPC-g891 [0,2,0,0,0,0|1,0,0]=3 135 B8R1.4 CC1CNCC(C)N1 SPC-k259 [0,2,0,0,0,0|2,0,0]=4 136 B8R1.4 CN1CCC[C@@H](O)C1 SPC-j194 [0,2,0,0,0,0|1,0,0]=3 137 B8R1.4 CN1CCC[C@H](O)C1 SPC-j195 [0,2,0,0,0,0|1,0,0]=3 138 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [0,2,0,0,0,0|1,0,1]=4 139 B8R1.4 C[C@@H]1CN(C)CCN1 SPC-s054 [0,2,0,0,0,0|2,0,0]=4 140 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 SPC-h032 [0,2,0,0,0,0|2,0,0]=4 141 B8R1.4 C[C@@H]1C[C@H](O)CCN1 SPC-m097 [0,2,0,0,0,0|1,0,0]=3 142 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [0,2,0,0,0,0|1,0,1]=4 143 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [0,2,0,0,0,0|1,0,1]=4 144 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [0,2,0,0,0,0|1,0,1]=4 145 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [0,2,0,0,0,0|1,0,1]=4 146 B8R1.4 C[C@H]1CCNC(=O)C1 SPC-p144 [0,2,0,0,0,0|1,0,1]=4 147 B8R1.4 C[C@H]1CNC[C@@H](C)N1 SPC-g004 [0,2,0,0,0,0|2,0,0]=4 148 B8R1.4 C[C@H]1CNC[C@H](C)N1 SPC-n727 [0,2,0,0,0,0|2,0,0]=4 149 B8R1.4 C[C@H]1CNC[C@H](C)O1 SPC-k818 [0,2,0,0,0,0|2,0,0]=4 150 B8R1.4 C[C@H]1COC[C@@H](C)N1 SPC-p942 [0,2,0,0,0,0|2,0,0]=4 151 B8R1.4 C[C@H]1C[C@@H](O)CCN1 SPC-u060 [0,2,0,0,0,0|1,0,0]=3 152 B8R1.4 NC1COCC(O)C1 SPC-t029 [0,2,0,0,0,0|1,0,0]=3 153 B8R1.4 N[C@@H]1COCC(=O)C1 SPC-u616 [0,2,0,0,0,0|1,0,1]=4 154 B8R1.4 N[C@H]1CCC[C@@H](N)C1 SPC-q760 [0,2,0,0,0,0|0,0,0]=2 155 B8R1.4 N[C@H]1CCC[C@H](F)C1 SPC-u860 [0,2,0,0,0,0|0,0,0]=2 156 B8R1.4 N[C@H]1CCC[C@H](N)C1 SPC-n678 [0,2,0,0,0,0|0,0,0]=2 157 B8R1.4 N[C@H]1CCC[C@H](O)C1 SPC-n635 [0,2,0,0,0,0|0,0,0]=2 158 B8R1.4 N[C@H]1CCNC(=O)C1 SPC-j029 [0,2,0,0,0,0|1,0,1]=4 159 B8R1.4 O=C1CCC[C@H](O)C1 SPC-p385 [0,2,0,0,0,0|0,0,1]=3 160 B8R1.5 CC1CCNCC1O SPC-p589 [0,2,0,0,0,0|1,0,0]=3 161 B8R1.5 CC1CNCCC1O SPC-m644 [0,2,0,0,0,0|1,0,0]=3 162 B8R1.5 C[C@@H]1CCCN[C@@H]1C SPC-u259 [0,2,0,0,0,0|1,0,0]=3 163 B8R1.5 C[C@@H]1CCNC[C@H]1O SPC-q479 [0,2,0,0,0,0|1,0,0]=3 164 B8R1.5 C[C@@H]1CNCCN1C SPC-j879 [0,2,0,0,0,0|2,0,0]=4 165 B8R1.5 C[C@@H]1CNCCN1C SPC-r024 [0,2,0,0,0,0|2,0,0]=4 166 B8R1.5 C[C@H]1CCNC[C@H]1O SPC-p949 [0,2,0,0,0,0|1,0,0]=3 167 B8R1.5 C[C@H]1CNCCC1=O SPC-n076 [0,2,0,0,0,0|1,0,1]=4 168 B8R1.5 C[C@H]1CNCCN1C SPC-k695 [0,2,0,0,0,0|2,0,0]=4 169 B8R1.5 C[C@H]1CNCCN1C SPC-m797 [0,2,0,0,0,0|2,0,0]=4 170 B8R1.5 C[C@H]1COCCC1=O SPC-p410 [0,2,0,0,0,0|1,0,1]=4 171 B8R1.5 F[C@H]1CCNC[C@H]1F SPC-t847 [0,2,0,0,0,0|1,0,0]=3 172 B8R1.5 N[C@@H]1CCCC[C@H]1F SPC-v023 [0,2,0,0,0,0|0,0,0]=2 173 B8R1.5 N[C@@H]1CCCC[C@H]1N SPC-k252 [0,2,0,0,0,0|0,0,0]=2 174 B8R1.5 N[C@@H]1CCCC[C@H]1O SPC-t809 [0,2,0,0,0,0|0,0,0]=2 175 B8R1.5 N[C@@H]1CCOC[C@@H]1F SPC-h024 [0,2,0,0,0,0|1,0,0]=3 176 B8R1.5 N[C@@H]1CCOC[C@@H]1F SPC-s058 [0,2,0,0,0,0|1,0,0]=3 177 B8R1.5 N[C@@H]1CCOC[C@@H]1O SPC-i900 [0,2,0,0,0,0|1,0,0]=3 178 B8R1.5 N[C@@H]1CCOC[C@H]1F SPC-m647 [0,2,0,0,0,0|1,0,0]=3 179 B8R1.5 N[C@@H]1CCOC[C@H]1F SPC-u621 [0,2,0,0,0,0|1,0,0]=3 180 B8R1.5 N[C@@H]1CCOC[C@H]1O SPC-m006 [0,2,0,0,0,0|1,0,0]=3 181 B8R1.5 N[C@@H]1CCOC[C@H]1O SPC-m655 [0,2,0,0,0,0|1,0,0]=3 182 B8R1.5 N[C@@H]1COCC[C@@H]1O SPC-p945 [0,2,0,0,0,0|1,0,0]=3 183 B8R1.5 N[C@@H]1COCC[C@H]1O SPC-h523 [0,2,0,0,0,0|1,0,0]=3 184 B8R1.5 N[C@@H]1COCC[C@H]1O SPC-t948 [0,2,0,0,0,0|1,0,0]=3 185 B8R1.5 N[C@H]1CCOC[C@@H]1F SPC-k063 [0,2,0,0,0,0|1,0,0]=3 186 B8R1.5 N[C@H]1CCOC[C@@H]1F SPC-q529 [0,2,0,0,0,0|1,0,0]=3 187 B8R1.5 N[C@H]1CCOC[C@@H]1O SPC-m654 [0,2,0,0,0,0|1,0,0]=3 188 B8R1.5 N[C@H]1CCOC[C@H]1O SPC-n772 [0,2,0,0,0,0|1,0,0]=3 189 B8R1.5 N[C@H]1COCC[C@@H]1O SPC-h590 [0,2,0,0,0,0|1,0,0]=3 190 B8R1.5 O=C1CCNC[C@@H]1F SPC-g858 [0,2,0,0,0,0|1,0,1]=4 191 B8R1.5 O=C1CCOC[C@@H]1Br SPC-h143 [0,2,0,0,0,0|1,0,1]=4 192 B8R1.5 O=C1CCOC[C@@H]1F SPC-p380 [0,2,0,0,0,0|1,0,1]=4 193 B8R1.5 OC1CCOCC1F SPC-n060 [0,2,0,0,0,0|1,0,0]=3 194 B8R1.5 O[C@@H]1CCNC[C@H]1O SPC-q472 [0,2,0,0,0,0|1,0,0]=3 195 B8R1.5 O[C@@H]1CCNC[C@H]1O SPC-r059 [0,2,0,0,0,0|1,0,0]=3 196 B8R1.5 O[C@@H]1CCOC[C@@H]1F SPC-s067 [0,2,0,0,0,0|1,0,0]=3 197 B8R1.5 O[C@H]1CCNC[C@@H]1F SPC-m667 [0,2,0,0,0,0|1,0,0]=3 198 B8R1.5 O[C@H]1CCNC[C@H]1F SPC-s060 [0,2,0,0,0,0|1,0,0]=3 199 B8R1.5 O[C@H]1CCOC[C@@H]1F SPC-u964 [0,2,0,0,0,0|1,0,0]=3 200 B8R1.5 O[C@H]1CCOC[C@H]1F SPC-r349 [0,2,0,0,0,0|1,0,0]=3 201 B8R1.5 O[C@H]1CCOC[C@H]1F SPC-s059 [0,2,0,0,0,0|1,0,0]=3 202 B8R1.5 O[C@H]1CNCC[C@@H]1F SPC-q484 [0,2,0,0,0,0|1,0,0]=3 203 B8R1.5 O[C@H]1CNCC[C@H]1O SPC-j905 [0,2,0,0,0,0|1,0,0]=3 204 B8R1.72 CC1(C)CNCCO1 SPC-m460 [0,2,0,0,0,0|2,0,0]=4 205 B8R1.72 CC1(N)CCOCC1 SPC-h385 [0,2,0,0,0,0|1,0,0]=3 206 B8R1.72 CC1(N)CCOCC1 SPC-r348 [0,2,0,0,0,0|1,0,0]=3 207 B8R1.72 CC1(O)CCNCC1 SPC-j073 [0,2,0,0,0,0|1,0,0]=3 208 B8R1.72 CC1(O)CCNCC1 SPC-n154 [0,2,0,0,0,0|1,0,0]=3 209 B8R1.72 C[C@]1(O)CCCNC1 SPC-h456 [0,2,0,0,0,0|1,0,0]=3 210 B8R1.72 C[C@]1(O)CCCNC1 SPC-u662 [0,2,0,0,0,0|1,0,0]=3 211 B8R1.72 C[Si]1(C)CCNCC1 SPC-k462 [0,2,0,0,0,0|1,1,0]=4 212 B8R1.72 FC1(F)CCCNC1 SPC-h206 [0,2,0,0,0,0|1,0,0]=3 213 B8R1.72 FC1(F)CCNCC1 SPC-g563 [0,2,0,0,0,0|1,0,0]=3 214 B8R1.72 N=S1(=O)CCCCC1 SPC-w060 [0,2,0,0,0,0|1,0,0]=3 215 B8R1.72 O=S1(=O)CCNCC1 SPC-g281 [0,2,0,0,0,0|2,0,0]=4 216 B6R1.3 CNCC1CC1 SPC-h311 [0,0,1,1,0,0|1,0,0]=3 217 B6R1.3 ICCC1CC1 SPC-k255 [0,0,1,1,0,0|1,0,0]=3 218 B6R1.3 N#CCC1CC1 SPC-t648 [0,0,1,1,0,0|1,0,1]=4 219 B6R1.3 NCCC1CC1 SPC-t690 [0,0,1,1,0,0|1,0,0]=3 220 B6R1.3 NNCC1CC1 SPC-k402 [0,0,1,1,0,0|2,0,0]=4 221 B6R1.3 OCCC1CC1 SPC-h056 [0,0,1,1,0,0|1,0,0]=3 222 B6R1.4 CC1OCC1O SPC-r006 [0,0,1,1,0,0|2,0,0]=4 223 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u139 [0,0,1,1,0,0|2,0,0]=4 224 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u948 [0,0,1,1,0,0|2,0,0]=4 225 B6R1.4 C[C@@H]1NC[C@H]1O SPC-u025 [0,0,1,1,0,0|2,0,0]=4 226 B6R1.4 C[C@H]1NC[C@H]1O SPC-v658 [0,0,1,1,0,0|2,0,0]=4 227 B6R1.4 NC1CCC1O SPC-u019 [0,0,1,1,0,0|2,0,0]=4 228 B6R1.4 N[C@@H]1CC[C@@H]1O SPC-u564 [0,0,1,1,0,0|2,0,0]=4 229 B6R1.4 N[C@@H]1CC[C@H]1N SPC-a439 [0,0,1,1,0,0|2,0,0]=4 230 B6R1.4 N[C@H]1CC[C@H]1N SPC-a438 [0,0,1,1,0,0|2,0,0]=4 231 B6R1.6 BrCC1COC1 SPC-i089 [0,0,1,1,0,0|2,0,0]=4 232 B6R1.6 BrC[C@H]1CCO1 SPC-i209 [0,0,1,1,0,0|2,0,0]=4 233 B6R1.6 CNC1CNC1 SPC-i584 [0,0,1,1,0,0|2,0,0]=4 234 B6R1.6 CNC1COC1 SPC-a021 [0,0,1,1,0,0|2,0,0]=4 235 B6R1.6 COC1CNC1 SPC-g356 [0,0,1,1,0,0|2,0,0]=4 236 B6R1.6 CSC1CNC1 SPC-h865 [0,0,1,1,0,0|2,0,0]=4 237 B6R1.6 CSC1CNC1 SPC-u349 [0,0,1,1,0,0|2,0,0]=4 238 B6R1.6 ClCC1COC1 SPC-t682 [0,0,1,1,0,0|2,0,0]=4 239 B6R1.6 FCC1CNC1 SPC-v205 [0,0,1,1,0,0|2,0,0]=4 240 B6R1.6 ICC1CCC1 SPC-m826 [0,0,1,1,0,0|1,0,0]=3 241 B6R1.6 ICC1COC1 SPC-i045 [0,0,1,1,0,0|2,0,0]=4 242 B6R1.6 IC[C@H]1CCO1 SPC-i189 [0,0,1,1,0,0|2,0,0]=4 243 B6R1.6 NCC1CCC1 SPC-a097 [0,0,1,1,0,0|1,0,0]=3 244 B6R1.6 NCC1CCC1 SPC-g882 [0,0,1,1,0,0|1,0,0]=3 245 B6R1.6 NCC1COC1 SPC-a020 [0,0,1,1,0,0|2,0,0]=4 246 B6R1.6 NCC1COC1 SPC-n824 [0,0,1,1,0,0|2,0,0]=4 247 B6R1.6 NCC1CSC1 SPC-a104 [0,0,1,1,0,0|2,0,0]=4 248 B6R1.6 NCC1CSC1 SPC-i360 [0,0,1,1,0,0|2,0,0]=4 249 B6R1.6 NC[C@H]1CCN1 SPC-i204 [0,0,1,1,0,0|2,0,0]=4 250 B6R1.6 NC[C@H]1CCO1 SPC-a305 [0,0,1,1,0,0|2,0,0]=4 251 B6R1.6 OCC1CNC1 SPC-a250 [0,0,1,1,0,0|2,0,0]=4 252 B6R1.6 OCC1CNC1 SPC-j113 [0,0,1,1,0,0|2,0,0]=4 253 B6R1.6 OCC1COC1 SPC-a076 [0,0,1,1,0,0|2,0,0]=4 254 B6R1.6 OCC1CSC1 SPC-i307 [0,0,1,1,0,0|2,0,0]=4 255 B6R1.6 OC[C@@H]1CCN1 SPC-i144 [0,0,1,1,0,0|2,0,0]=4 256 B6R1.6 OC[C@H]1CCN1 SPC-i191 [0,0,1,1,0,0|2,0,0]=4 257 B6R1.6 OC[C@H]1CCN1 SPC-k756 [0,0,1,1,0,0|2,0,0]=4 258 B6R1.6 OC[C@H]1CCO1 SPC-a306 [0,0,1,1,0,0|2,0,0]=4 259 B8R2.22 C1C[C@H]2CNC[C@@H]12 SPC-w302 [0,0,0,1,0,1|0,0,0]=2 260 B8R2.25 C1CC2OC2CO1 SPC-p310 [0,0,0,1,0,1|1,0,0]=3 261 B8R2.25 C1CNC2CC2N1 SPC-s209 [0,0,0,1,0,1|1,0,0]=3 262 B8R2.18 NC1CC2CC2C1 SPC-k477 [0,1,0,1,0,0|0,0,0]=2 263 B8R2.18 OC1CC2CC2C1 SPC-u478 [0,1,0,1,0,0|0,0,0]=2 264 B8R2.23 C1CC2CC(C1)N2 SPC-w304 [0,1,0,1,0,0|0,0,0]=2 265 B8R2.23 C1NCC2CC1C2 SPC-a319 [0,1,0,1,0,0|1,0,0]=3 266 B8R2.23 C1OCC2CC1N2 SPC-p416 [0,1,0,1,0,0|1,0,0]=3 267 B8R2.34 C1CC2CC1CN2 SPC-p168 [0,1,0,1,0,0|1,0,0]=3 268 B8R2.34 C1CC2CCC1N2 SPC-m545 [0,1,0,1,0,0|0,0,0]=2 269 B8R2.34 C1CC2CCC1N2 SPC-m546 [0,1,0,1,0,0|0,0,0]=2 270 B8R2.34 C1OC2CNC1C2 SPC-h098 [0,1,0,1,0,0|2,0,0]=4 271 B8R2.34 C1O[C@@H]2CN[C@H]1C2 SPC-g772 [0,1,0,1,0,0|2,0,0]=4 272 B8R2.34 C1O[C@@H]2CN[C@H]1C2 SPC-m215 [0,1,0,1,0,0|2,0,0]=4 273 B8R2.34 C1O[C@H]2CN[C@@H]1C2 SPC-h448 [0,1,0,1,0,0|2,0,0]=4 274 B4R1.1 C1CNC1 SPC-g160 [0,0,0,0,2,0|1,0,0]=3 275 B4R1.1 C1CNC1 SPC-p889 [0,0,0,0,2,0|1,0,0]=3 276 B4R1.1 C1CNC1 SPC-p889 [0,0,0,0,2,0|1,0,0]=3