0 B6R1.2 BrC1=CSC=C1 CS-W009226 [0,0,0,0,0,0|1,0,3]=4 1 B6R1.2 BrC1=CSC=N1 CS-W001221 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 BrC1=CSN=C1 CS-0012647 [0,0,0,0,0,0|2,0,2]=4 3 B6R1.2 BrC1CCNC1 CS-W005728 [0,0,0,0,0,0|2,0,1]=3 4 B6R1.2 BrC1CCOC1 CS-W004035 [0,0,0,0,0,0|1,1,1]=3 5 B6R1.2 CC1=CSC=N1 CS-W001245 [0,0,0,0,0,0|2,0,2]=4 6 B6R1.2 CC1CCNC1 CS-W021968 [0,0,0,0,0,0|2,0,1]=3 7 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 C[C@H]1CCNC1 CS-0040457 [0,0,0,0,0,0|2,0,1]=3 9 B6R1.2 ClC1=CSC=C1 CS-W013592 [0,0,0,0,0,0|1,0,3]=4 10 B6R1.2 ClC1=CSC=N1 CS-W022167 [0,0,0,0,0,0|2,0,2]=4 11 B6R1.2 FC1CCNC1 CS-W005668 [0,0,0,0,0,0|2,0,1]=3 12 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [0,0,0,0,0,0|2,0,1]=3 13 B6R1.2 IC1=CSC=C1 CS-W004948 [0,0,0,0,0,0|1,0,3]=4 14 B6R1.2 IC1CCCC1 CS-0067150 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 IC1CCOC1 CS-W004266 [0,0,0,0,0,0|1,1,1]=3 16 B6R1.2 I[C@@H]1CCOC1 CS-0055199 [0,0,0,0,0,0|1,1,1]=3 17 B6R1.2 I[C@H]1CCOC1 CS-0053265 [0,0,0,0,0,0|1,1,1]=3 18 B6R1.2 N=C1CCCS1 CS-W016514 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 NC1=CSC=C1 CS-0167153 [0,0,0,0,0,0|1,0,3]=4 20 B6R1.2 NC1=CSC=C1 CS-D0258 [0,0,0,0,0,0|1,0,3]=4 21 B6R1.2 NC1=CSC=C1 CS-D0330 [0,0,0,0,0,0|1,0,3]=4 22 B6R1.2 NC1=NCCC1 CS-B0123 [0,0,0,0,0,0|3,0,0]=3 23 B6R1.2 NC1=NCCS1 CS-0074129 [0,0,0,0,0,0|4,0,0]=4 24 B6R1.2 NC1CC=CC1 CS-W022621 [0,0,0,0,0,0|2,0,2]=4 25 B6R1.2 NC1CCNC1 CS-W016190 [0,0,0,0,0,0|2,0,1]=3 26 B6R1.2 NC1CCOC1 CS-D1564 [0,0,0,0,0,0|1,1,1]=3 27 B6R1.2 NC1CCOC1 CS-W011353 [0,0,0,0,0,0|1,1,1]=3 28 B6R1.2 N[C@@H]1CCNC1 CS-W010887 [0,0,0,0,0,0|2,0,1]=3 29 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [0,0,0,0,0,0|1,1,1]=3 30 B6R1.2 N[C@H]1CCNC1 CS-W013278 [0,0,0,0,0,0|2,0,1]=3 31 B6R1.2 N[C@H]1CCOC1 CS-W019697 [0,0,0,0,0,0|1,1,1]=3 32 B6R1.2 O=C1C=CCC1 CS-W011359 [0,0,0,0,0,0|1,0,1]=2 33 B6R1.2 O=C1C=CCO1 CS-W008270 [0,0,0,0,0,0|2,0,1]=3 34 B6R1.2 O=C1C=CCS1 CS-0348812 [0,0,0,0,0,0|2,0,1]=3 35 B6R1.2 O=C1C=CNN1 CS-W004179 [0,0,0,0,0,0|2,0,2]=4 36 B6R1.2 O=C1C=CSN1 CS-0005502 [0,0,0,0,0,0|1,0,2]=3 37 B6R1.2 O=C1CC=NN1 CS-W004408 [0,0,0,0,0,0|2,0,1]=3 38 B6R1.2 O=C1CCCN1 CS-0197058 [0,0,0,0,0,0|2,0,0]=2 39 B6R1.2 O=C1CCNC1 CS-W005267 [0,0,0,0,0,0|1,0,0]=1 40 B6R1.2 O=C1CCNN1 CS-W001151 [0,0,0,0,0,0|2,0,0]=2 41 B6R1.2 O=C1CCOC1 CS-D1574 [0,0,0,0,0,0|0,1,0]=1 42 B6R1.2 O=C1CCSC1 CS-W011310 [0,0,0,0,0,0|0,0,0]=0 43 B6R1.2 O=C1N=CNN1 CS-0044804 [0,0,0,0,0,0|3,0,1]=4 44 B6R1.2 O=C1NC=CN1 CS-W002186 [0,0,0,0,0,0|3,0,1]=4 45 B6R1.2 O=C1NCCN1 CS-0075560 [0,0,0,0,0,0|3,0,0]=3 46 B6R1.2 O=C1NCCO1 CS-W007548 [0,0,0,0,0,0|3,0,0]=3 47 B6R1.2 O=C1NCCS1 CS-W023026 [0,0,0,0,0,0|3,0,0]=3 48 B6R1.2 O=C1OC=CO1 CS-W013752 [0,0,0,0,0,0|3,0,1]=4 49 B6R1.2 O=S1CCCC1 CS-0207394 [0,0,0,0,0,0|2,0,0]=2 50 B6R1.2 O=S1OCCO1 CS-W013675 [0,0,0,0,0,0|4,0,0]=4 51 B6R1.2 OC1C=CCC1 CS-0451001 [0,0,0,0,0,0|1,0,3]=4 52 B6R1.2 OC1CC=CC1 CS-W002682 [0,0,0,0,0,0|1,0,3]=4 53 B6R1.2 OC1CCNC1 CS-W002985 [0,0,0,0,0,0|1,0,2]=3 54 B6R1.2 OC1CCNC1 CS-W022946 [0,0,0,0,0,0|1,0,2]=3 55 B6R1.2 OC1CCOC1 CS-M0786 [0,0,0,0,0,0|0,1,2]=3 56 B6R1.2 OC1CCSC1 CS-0185375 [0,0,0,0,0,0|0,0,2]=2 57 B6R1.2 OC1CNOC1 CS-0271204 [0,0,0,0,0,0|1,1,2]=4 58 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,0,0,0,0,0|1,0,2]=3 59 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,0,0,0,0,0|1,0,2]=3 60 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,0,0,0,0,0|0,1,2]=3 61 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,0,0,0,0,0|1,0,2]=3 62 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,0,0,0,0,0|1,0,2]=3 63 B6R1.2 O[C@H]1CCOC1 CS-D0600 [0,0,0,0,0,0|0,1,2]=3 64 B6R1.2 O[C@H]1CNOC1 CS-0060087 [0,0,0,0,0,0|1,1,2]=4 65 B6R1.2 S=C1NCCO1 CS-0097403 [0,0,0,0,0,0|3,1,0]=4 66 B6R1.2 S=C1NCCS1 CS-0008464 [0,0,0,0,0,0|3,1,0]=4 67 B6R1.2 S=C1SCCS1 CS-0317149 [0,0,0,0,0,0|3,1,0]=4 68 B6R1.2 SC1=NCCC1 CS-W013703 [0,0,0,0,0,0|2,1,0]=3 69 B6R1.2 SC1=NCCN1 CS-W011309 [0,0,0,0,0,0|3,1,0]=4 70 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,0,0,0,0,0|2,0,1]=3 71 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,0,0,0,0,0|2,0,1]=3 72 B5R1.1 C1=CCNC1 CS-W016634 [1,0,0,0,0,0|1,0,1]=3 73 B5R1.1 C1CCNC1 CS-0162629 [1,0,0,0,0,0|1,0,1]=3 74 B5R1.1 C1CNNC1 CS-0210819 [1,0,0,0,0,0|2,0,1]=4 75 B5R1.1 C1CNOC1 CS-0179756 [1,0,0,0,0,0|1,1,1]=4 76 B5R1.1 C1CSCN1 CS-0006687 [1,0,0,0,0,0|1,0,0]=2 77 B5R1.1 C1CSCN1 CS-M1684 [1,0,0,0,0,0|1,0,0]=2 78 B7R1.1 BrCC1CCCC1 CS-W004985 [0,1,0,0,0,0|2,0,1]=4 79 B7R1.1 BrCC1CCOC1 CS-W004268 [0,1,0,0,0,0|1,1,1]=4 80 B7R1.1 C#CC1CCOC1 CS-0170800 [0,1,0,0,0,0|1,1,1]=4 81 B7R1.1 CN[C@H]1CCOC1 CS-0053255 [0,1,0,0,0,0|1,1,1]=4 82 B7R1.1 COC1=NCCC1 CS-W022401 [0,1,0,0,0,0|2,0,1]=4 83 B7R1.1 COC1CCNC1 CS-0039937 [0,1,0,0,0,0|1,0,2]=4 84 B7R1.1 COC1CCNC1 CS-W004880 [0,1,0,0,0,0|1,0,2]=4 85 B7R1.1 CO[C@@H]1CCNC1 CS-0053757 [0,1,0,0,0,0|1,0,2]=4 86 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,1,0,0,0,0|1,0,2]=4 87 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,1,0,0,0,0|1,0,2]=4 88 B7R1.1 Cl[Au][SH]1CCCC1 CS-0111128 [0,1,0,0,0,0|3,0,0]=4 89 B7R1.1 ICC1CCCC1 CS-0309298 [0,1,0,0,0,0|2,0,1]=4 90 B7R1.1 ICC1CCOC1 CS-W004269 [0,1,0,0,0,0|1,1,1]=4 91 B7R1.1 N#CC1CCCC1 CS-0072286 [0,1,0,0,0,0|2,0,1]=4 92 B7R1.1 N#CC1CCOC1 CS-W004270 [0,1,0,0,0,0|1,1,1]=4 93 B7R1.1 N#CN1CCCC1 CS-0155293 [0,1,0,0,0,0|3,0,0]=4 94 B7R1.1 N#C[C@@H]1CCNC1 CS-0053310 [0,1,0,0,0,0|2,0,1]=4 95 B7R1.1 N#C[C@H]1CCNC1 CS-0053245 [0,1,0,0,0,0|2,0,1]=4 96 B7R1.1 NCC1CCCC1 CS-D0472 [0,1,0,0,0,0|2,0,1]=4 97 B7R1.1 NCC1CCOC1 CS-W004787 [0,1,0,0,0,0|1,1,1]=4 98 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [0,1,0,0,0,0|1,1,1]=4 99 B7R1.1 NC[C@@H]1CCOC1 CS-0053252 [0,1,0,0,0,0|1,1,1]=4 100 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [0,1,0,0,0,0|1,1,1]=4 101 B7R1.1 NNC1CCCC1 CS-D0525 [0,1,0,0,0,0|2,0,1]=4 102 B7R1.1 O=CC1=CSC=C1 CS-W001968 [0,1,0,0,0,0|0,0,3]=4 103 B7R1.1 O=CC1=CSC=N1 CS-W007683 [0,1,0,0,0,0|1,0,2]=4 104 B7R1.1 O=CC1=CSN=N1 CS-0216222 [0,1,0,0,0,0|2,0,1]=4 105 B7R1.1 O=CC1CCOC1 CS-W004272 [0,1,0,0,0,0|0,1,1]=3 106 B7R1.1 O=CN1CCCC1 CS-0155290 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.1 O=NN1CCCC1 CS-0199565 [0,1,0,0,0,0|2,0,0]=3 108 B7R1.1 OCC1CCCC1 CS-W001923 [0,1,0,0,0,0|1,0,2]=4 109 B7R1.1 OCC1CCNC1 CS-W019882 [0,1,0,0,0,0|1,0,2]=4 110 B7R1.1 OCC1CCOC1 CS-D1159 [0,1,0,0,0,0|0,1,2]=4 111 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,1,0,0,0,0|1,0,2]=4 112 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [0,1,0,0,0,0|1,0,2]=4 113 B7R1.1 ON=C1CCCC1 CS-W013717 [0,1,0,0,0,0|1,0,1]=3 114 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [0,1,0,0,0,0|1,0,1]=3 115 B7R1.2 CC1C=CC(=O)O1 CS-0152699 [0,1,0,0,0,0|2,0,1]=4 116 B7R1.2 CC1CCC(=O)O1 CS-W016654 [0,1,0,0,0,0|2,0,0]=3 117 B7R1.2 CC1CNC(=O)C1 CS-0040667 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.2 CC1COC(=O)N1 CS-0181060 [0,1,0,0,0,0|3,0,0]=4 119 B7R1.2 CN1CCC(=O)C1 CS-0172438 [0,1,0,0,0,0|1,0,0]=2 120 B7R1.2 CN1CCC(N)C1 CS-0151106 [0,1,0,0,0,0|2,0,1]=4 121 B7R1.2 CN1CCC(O)C1 CS-M2838 [0,1,0,0,0,0|1,0,2]=4 122 B7R1.2 CN1CC[C@@H](N)C1 CS-0053339 [0,1,0,0,0,0|2,0,1]=4 123 B7R1.2 CN1CC[C@@H](N)C1 CS-0183704 [0,1,0,0,0,0|2,0,1]=4 124 B7R1.2 CN1CC[C@H](N)C1 CS-0053279 [0,1,0,0,0,0|2,0,1]=4 125 B7R1.2 CN1CC[C@H](O)C1 CS-W003109 [0,1,0,0,0,0|1,0,2]=4 126 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [0,1,0,0,0,0|2,0,0]=3 127 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [0,1,0,0,0,0|3,0,0]=4 128 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [0,1,0,0,0,0|3,0,0]=4 129 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [0,1,0,0,0,0|3,0,0]=4 130 B7R1.2 C[C@@H]1C[C@H](O)CN1 CS-0053223 [0,1,0,0,0,0|1,0,2]=4 131 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [0,1,0,0,0,0|1,0,0]=2 132 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,1,0,0,0,0|2,0,0]=3 133 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [0,1,0,0,0,0|2,0,0]=3 134 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [0,1,0,0,0,0|3,0,0]=4 135 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,1,0,0,0,0|3,0,0]=4 136 B7R1.2 C[C@H]1C[C@@H](O)CN1 CS-0053292 [0,1,0,0,0,0|1,0,2]=4 137 B7R1.2 N=C1N=C(N)CS1 CS-0206268 [0,1,0,0,0,0|2,0,1]=4 138 B7R1.2 NC1=NC(=O)CO1 CS-0005538 [0,1,0,0,0,0|1,1,1]=4 139 B7R1.2 NC1=NC(=O)CS1 CS-W005207 [0,1,0,0,0,0|1,0,1]=3 140 B7R1.2 NC1CCC(N)C1 CS-0310049 [0,1,0,0,0,0|2,0,1]=4 141 B7R1.2 NC1CCC(O)C1 CS-0083804 [0,1,0,0,0,0|1,0,2]=4 142 B7R1.2 NC1CCC(O)C1 CS-W005211 [0,1,0,0,0,0|1,0,2]=4 143 B7R1.2 NC1CNC(=O)C1 CS-W023257 [0,1,0,0,0,0|2,0,0]=3 144 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-0053617 [0,1,0,0,0,0|1,0,2]=4 145 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-W018626 [0,1,0,0,0,0|1,0,2]=4 146 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0044036 [0,1,0,0,0,0|1,0,2]=4 147 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [0,1,0,0,0,0|1,0,2]=4 148 B7R1.2 N[C@@H]1CNC(=O)C1 CS-W003954 [0,1,0,0,0,0|2,0,0]=3 149 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,1,0,0,0,0|2,0,0]=3 150 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-0062467 [0,1,0,0,0,0|1,0,2]=4 151 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-B1526 [0,1,0,0,0,0|1,0,2]=4 152 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0053559 [0,1,0,0,0,0|1,0,2]=4 153 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0131617 [0,1,0,0,0,0|1,0,2]=4 154 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.2 O=C1C=C(Cl)SN1 CS-B1826 [0,1,0,0,0,0|1,0,2]=4 156 B7R1.2 O=C1C=C(O)CN1 CS-0311627 [0,1,0,0,0,0|2,0,1]=4 157 B7R1.2 O=C1C=CC(O)C1 CS-0139552 [0,1,0,0,0,0|1,0,1]=3 158 B7R1.2 O=C1C=CC(O)O1 CS-0196767 [0,1,0,0,0,0|2,0,1]=4 159 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,1,0,0,0,0|2,0,0]=3 160 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,1,0,0,0,0|1,0,0]=2 161 B7R1.2 O=C1CCC(=O)N1 CS-0019112 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.2 O=C1CCC(=O)O1 CS-0011581 [0,1,0,0,0,0|2,0,0]=3 163 B7R1.2 O=C1CCC(O)C1 CS-0051334 [0,1,0,0,0,0|1,0,0]=2 164 B7R1.2 O=C1CNC(=O)C1 CS-0048723 [0,1,0,0,0,0|1,0,1]=3 165 B7R1.2 O=C1CNC(=O)N1 CS-W011328 [0,1,0,0,0,0|2,0,1]=4 166 B7R1.2 O=C1CNC(=O)O1 CS-W011320 [0,1,0,0,0,0|2,0,1]=4 167 B7R1.2 O=C1CNC(=S)N1 CS-W013612 [0,1,0,0,0,0|2,0,1]=4 168 B7R1.2 O=C1COC(=O)C1 CS-W016655 [0,1,0,0,0,0|0,1,1]=3 169 B7R1.2 O=C1COC(=O)N1 CS-0005564 [0,1,0,0,0,0|1,1,1]=4 170 B7R1.2 O=C1CSC(=O)N1 CS-W019917 [0,1,0,0,0,0|1,0,1]=3 171 B7R1.2 O=C1CSC(=S)N1 CS-W011081 [0,1,0,0,0,0|1,0,1]=3 172 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,1,0,0,0,0|2,0,0]=3 173 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [0,1,0,0,0,0|2,0,0]=3 174 B7R1.2 O=C1OCC(Cl)O1 CS-0046028 [0,1,0,0,0,0|3,0,0]=4 175 B7R1.2 O=C1OCC(F)O1 CS-0155468 [0,1,0,0,0,0|3,0,0]=4 176 B7R1.2 OC1CCC(O)C1 CS-0049625 [0,1,0,0,0,0|1,0,2]=4 177 B7R1.2 O[C@@H]1CC[C@@H](O)C1 CS-0056775 [0,1,0,0,0,0|1,0,2]=4 178 B7R1.2 [C@@H]1(N)CC[C@@H](N)C1 CS-W007211 [0,1,0,0,0,0|2,0,1]=4 179 B7R1.2 [C@@H]1(O)CCN(C)C1 CS-W013705 [0,1,0,0,0,0|1,0,2]=4 180 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [0,1,0,0,0,0|2,0,0]=3 181 B7R1.4 BrC1=C(Br)CCC1 CS-W013034 [0,1,0,0,0,0|2,0,1]=4 182 B7R1.4 CC1=CCCC1=O CS-0180943 [0,1,0,0,0,0|1,0,1]=3 183 B7R1.4 CC1CCNC1=O CS-W004958 [0,1,0,0,0,0|2,0,0]=3 184 B7R1.4 CC1CCOC1=O CS-0152675 [0,1,0,0,0,0|2,0,0]=3 185 B7R1.4 CC1OCCC1=O CS-W011324 [0,1,0,0,0,0|0,1,0]=2 186 B7R1.4 CC1OCCC1S CS-W013594 [0,1,0,0,0,0|0,2,1]=4 187 B7R1.4 CC1SCCC1=O CS-W011228 [0,1,0,0,0,0|0,0,0]=1 188 B7R1.4 CN1CCCC1=O CS-0017258 [0,1,0,0,0,0|2,0,0]=3 189 B7R1.4 CN1CCCC1=S CS-W013619 [0,1,0,0,0,0|2,1,0]=4 190 B7R1.4 CN1CCNC1=O CS-W005507 [0,1,0,0,0,0|3,0,0]=4 191 B7R1.4 CN1CCOC1=O CS-W016647 [0,1,0,0,0,0|3,0,0]=4 192 B7R1.4 CN1N=CCC1=O CS-0151202 [0,1,0,0,0,0|2,0,1]=4 193 B7R1.4 CN1SC=CC1=O CS-W010959 [0,1,0,0,0,0|1,0,2]=4 194 B7R1.4 CN1SC=CC1=O CS-W011236 [0,1,0,0,0,0|1,0,2]=4 195 B7R1.4 C[C@H]1CNC[C@@H]1O CS-0035605 [0,1,0,0,0,0|1,0,2]=4 196 B7R1.4 F[C@H]1CNC[C@H]1F CS-0012663 [0,1,0,0,0,0|2,0,1]=4 197 B7R1.4 NC1CCNC1=O CS-0113495 [0,1,0,0,0,0|2,0,0]=3 198 B7R1.4 NC1CCOC1=O CS-0051531 [0,1,0,0,0,0|2,0,0]=3 199 B7R1.4 NC1CCSC1=O CS-0021300 [0,1,0,0,0,0|2,0,0]=3 200 B7R1.4 NC1CONC1=O CS-W008440 [0,1,0,0,0,0|1,1,0]=3 201 B7R1.4 NN1CCCC1=O CS-D0019 [0,1,0,0,0,0|2,0,0]=3 202 B7R1.4 NN1CCOC1=O CS-W013698 [0,1,0,0,0,0|3,0,0]=4 203 B7R1.4 N[C@@H]1CCC[C@@H]1O CS-W003557 [0,1,0,0,0,0|1,0,2]=4 204 B7R1.4 N[C@@H]1CCC[C@H]1O CS-0130454 [0,1,0,0,0,0|1,0,2]=4 205 B7R1.4 N[C@@H]1CCC[C@H]1O CS-W008557 [0,1,0,0,0,0|1,0,2]=4 206 B7R1.4 N[C@@H]1CCNC1=O CS-0094049 [0,1,0,0,0,0|2,0,0]=3 207 B7R1.4 N[C@@H]1CCOC1=O CS-0022064 [0,1,0,0,0,0|2,0,0]=3 208 B7R1.4 N[C@@H]1CCSC1=O CS-0375845 [0,1,0,0,0,0|2,0,0]=3 209 B7R1.4 N[C@@H]1CNC[C@H]1F CS-0094714 [0,1,0,0,0,0|2,0,1]=4 210 B7R1.4 N[C@@H]1COC[C@@H]1N CS-0049652 [0,1,0,0,0,0|1,1,1]=4 211 B7R1.4 N[C@@H]1CONC1=O CS-2395 [0,1,0,0,0,0|1,1,0]=3 212 B7R1.4 N[C@H]1CCC[C@@H]1O CS-W004139 [0,1,0,0,0,0|1,0,2]=4 213 B7R1.4 N[C@H]1CCC[C@H]1N CS-0049664 [0,1,0,0,0,0|2,0,1]=4 214 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [0,1,0,0,0,0|1,0,2]=4 215 B7R1.4 N[C@H]1CCNC1=O CS-W021173 [0,1,0,0,0,0|2,0,0]=3 216 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,1,0,0,0,0|2,0,0]=3 217 B7R1.4 N[C@H]1CCSC1=O CS-6394 [0,1,0,0,0,0|2,0,0]=3 218 B7R1.4 N[C@H]1COC[C@@H]1O CS-0046711 [0,1,0,0,0,0|0,1,2]=4 219 B7R1.4 N[C@H]1COC[C@@H]1O CS-0047593 [0,1,0,0,0,0|0,1,2]=4 220 B7R1.4 N[C@H]1CONC1=O CS-4717 [0,1,0,0,0,0|1,1,0]=3 221 B7R1.4 O=C1CCC=C1O CS-W019237 [0,1,0,0,0,0|1,0,1]=3 222 B7R1.4 O=C1NCCC1O CS-W005201 [0,1,0,0,0,0|2,0,0]=3 223 B7R1.4 O=C1NCC[C@@H]1O CS-W003342 [0,1,0,0,0,0|2,0,0]=3 224 B7R1.4 O=C1NCC[C@H]1F CS-0500742 [0,1,0,0,0,0|2,0,0]=3 225 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,1,0,0,0,0|2,0,0]=3 226 B7R1.4 O=C1OCCC1Br CS-W001104 [0,1,0,0,0,0|2,0,0]=3 227 B7R1.4 O=C1OCCC1O CS-W013699 [0,1,0,0,0,0|2,0,0]=3 228 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [0,1,0,0,0,0|2,0,0]=3 229 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,1,0,0,0,0|1,0,2]=4 230 B7R1.4 O[C@@H]1CNC[C@@H]1F CS-0047354 [0,1,0,0,0,0|1,0,2]=4 231 B7R1.4 O[C@@H]1CNC[C@H]1F CS-0054190 [0,1,0,0,0,0|1,0,2]=4 232 B7R1.4 O[C@@H]1CNC[C@H]1O CS-0053303 [0,1,0,0,0,0|1,0,2]=4 233 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0042168 [0,1,0,0,0,0|1,0,2]=4 234 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0058680 [0,1,0,0,0,0|1,0,2]=4 235 B7R1.4 O[C@H]1CNC[C@H]1O CS-W022618 [0,1,0,0,0,0|1,0,2]=4 236 B7R1.4 O[C@H]1COC[C@H]1O CS-0049648 [0,1,0,0,0,0|0,1,2]=4 237 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,1,0,0,0,0|2,0,0]=3 238 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,1,0,0,0,0|2,0,0]=3 239 B7R1.4 [C@H]1(O)CNC[C@@H]1O CS-W005107 [0,1,0,0,0,0|1,0,2]=4 240 B7R1.14 CC1(C)CCNC1 CS-0051614 [0,1,0,0,0,0|2,0,1]=4 241 B7R1.14 CC1(F)CCNC1 CS-0051362 [0,1,0,0,0,0|2,0,1]=4 242 B7R1.14 CC1(N)CCCC1 CS-0119714 [0,1,0,0,0,0|2,0,1]=4 243 B7R1.14 CC1(N)CCOC1 CS-0184318 [0,1,0,0,0,0|1,1,1]=4 244 B7R1.14 CC1(O)CCNC1 CS-W001685 [0,1,0,0,0,0|1,0,2]=4 245 B7R1.14 CC1(O)CCNC1 CS-W021967 [0,1,0,0,0,0|1,0,2]=4 246 B7R1.14 C[C@@]1(O)CCNC1 CS-0053323 [0,1,0,0,0,0|1,0,2]=4 247 B7R1.14 C[C@@]1(O)CCNC1 CS-0183805 [0,1,0,0,0,0|1,0,2]=4 248 B7R1.14 C[C@]1(O)CCNC1 CS-0053259 [0,1,0,0,0,0|1,0,2]=4 249 B7R1.14 FC1(F)CCNC1 CS-0183400 [0,1,0,0,0,0|2,0,1]=4 250 B7R1.14 FC1(F)CCNC1 CS-W001466 [0,1,0,0,0,0|2,0,1]=4 251 B7R1.14 O=S1(=O)CCCN1 CS-W001194 [0,1,0,0,0,0|3,0,0]=4 252 B7R1.14 O=S1(=O)CCCO1 CS-W011195 [0,1,0,0,0,0|3,0,0]=4 253 B5R0.1 C#CCC(=O)O CS-W004784 [0,0,1,0,0,0|2,0,1]=4 254 B5R0.1 C=CCC(=O)O CS-0069849 [0,0,1,0,0,0|2,0,1]=4 255 B5R0.1 CC#CC(=O)O CS-W007936 [0,0,1,0,0,0|2,0,1]=4 256 B5R0.1 CC(=O)CCCl CS-W022162 [0,0,1,0,0,0|1,0,0]=2 257 B5R0.1 CC(=O)CCN CS-0209803 [0,0,1,0,0,0|1,0,0]=2 258 B5R0.1 CC(=O)NCO CS-0061075 [0,0,1,0,0,0|1,1,0]=3 259 B5R0.1 CC(=O)OCBr CS-0090812 [0,0,1,0,0,0|2,0,0]=3 260 B5R0.1 CC(=O)OCCl CS-0139458 [0,0,1,0,0,0|2,0,0]=3 261 B5R0.1 CC(C)=CCCl CS-0204351 [0,0,1,0,0,0|2,0,1]=4 262 B5R0.1 CC(C)=CCN CS-0236946 [0,0,1,0,0,0|2,0,1]=4 263 B5R0.1 CC(C)=CCO CS-W013751 [0,0,1,0,0,0|1,1,1]=4 264 B5R0.1 CC(N)CCO CS-W004841 [0,0,1,0,0,0|1,1,1]=4 265 B5R0.1 CC(O)CCBr CS-0142519 [0,0,1,0,0,0|1,0,2]=4 266 B5R0.1 CC(O)CCO CS-0115644 [0,0,1,0,0,0|0,1,2]=4 267 B5R0.1 CCCC(=N)N CS-W013544 [0,0,1,0,0,0|3,0,0]=4 268 B5R0.1 CCCC(=O)O CS-0977378 [0,0,1,0,0,0|2,0,0]=3 269 B5R0.1 CCCC(N)=O CS-0130522 [0,0,1,0,0,0|2,0,0]=3 270 B5R0.1 CCC[C@@H](C)N CS-0162182 [0,0,1,0,0,0|2,0,1]=4 271 B5R0.1 CCC[C@H](C)N CS-W006528 [0,0,1,0,0,0|2,0,1]=4 272 B5R0.1 CCNC(N)=O CS-W011351 [0,0,1,0,0,0|3,0,0]=4 273 B5R0.1 CCOC(C)=N CS-W008601 [0,0,1,0,0,0|3,0,0]=4 274 B5R0.1 CCOC(N)=O CS-4731 [0,0,1,0,0,0|3,0,0]=4 275 B5R0.1 CN(C)CCBr CS-W004693 [0,0,1,0,0,0|3,0,0]=4 276 B5R0.1 CNCC(=O)O CS-W013507 [0,0,1,0,0,0|2,0,0]=3 277 B5R0.1 CNCC(=O)O CS-W018511 [0,0,1,0,0,0|2,0,0]=3 278 B5R0.1 CNCC(C)O CS-0216704 [0,0,1,0,0,0|1,0,2]=4 279 B5R0.1 CNCC(N)=O CS-W011178 [0,0,1,0,0,0|2,0,0]=3 280 B5R0.1 COCC(=N)N CS-W003564 [0,0,1,0,0,0|2,1,0]=4 281 B5R0.1 COCC(=O)O CS-W020123 [0,0,1,0,0,0|1,1,0]=3 282 B5R0.1 COC[C@@H](C)N CS-W019198 [0,0,1,0,0,0|1,1,1]=4 283 B5R0.1 COC[C@H](C)N CS-0148795 [0,0,1,0,0,0|1,1,1]=4 284 B5R0.1 COC[C@H](C)O CS-0031378 [0,0,1,0,0,0|0,1,2]=4 285 B5R0.1 CSCC(=O)O CS-0015159 [0,0,1,0,0,0|1,0,0]=2 286 B5R0.1 CSCC(N)=O CS-0150088 [0,0,1,0,0,0|1,0,0]=2 287 B5R0.1 CSCS(C)=O CS-0146450 [0,0,1,0,0,0|1,0,0]=2 288 B5R0.1 C[C@@H](N)CCO CS-W013746 [0,0,1,0,0,0|1,1,1]=4 289 B5R0.1 C[C@@H](O)CCO CS-M1638 [0,0,1,0,0,0|0,1,2]=4 290 B5R0.1 C[C@H](N)CCO CS-W019851 [0,0,1,0,0,0|1,1,1]=4 291 B5R0.1 C[C@H](O)CCO CS-W016671 [0,0,1,0,0,0|0,1,2]=4 292 B5R0.1 C\C=C\C(=O)O CS-0017976 [0,0,1,0,0,0|2,0,1]=4 293 B5R0.1 C\C=C\C(C)=O CS-0022376 [0,0,1,0,0,0|1,0,1]=3 294 B5R0.1 C\C=C\C(C)=O CS-0513711 [0,0,1,0,0,0|1,0,1]=3 295 B5R0.1 N#CCC(=O)[O-] CS-0162555 [0,0,1,0,0,0|2,0,1]=4 296 B5R0.1 N=C(O)CCN CS-W007497 [0,0,1,0,0,0|2,0,1]=4 297 B5R0.1 NC(=O)CCBr CS-0046169 [0,0,1,0,0,0|2,0,0]=3 298 B5R0.1 NC(=O)CCCl CS-0204808 [0,0,1,0,0,0|2,0,0]=3 299 B5R0.1 NC(=O)CCO CS-0205185 [0,0,1,0,0,0|1,1,0]=3 300 B5R0.1 NCCC(=O)O CS-0668359 [0,0,1,0,0,0|2,0,0]=3 301 B5R0.1 NCCC(=O)O CS-W020126 [0,0,1,0,0,0|2,0,0]=3 302 B5R0.1 NCCS(=O)O CS-6985 [0,0,1,0,0,0|3,0,0]=4 303 B5R0.1 NOCC(=O)O CS-8158 [0,0,1,0,0,0|2,1,0]=4 304 B5R0.1 O=C(O)CCF CS-0038385 [0,0,1,0,0,0|2,0,0]=3 305 B5R0.1 O=C(O)CCI CS-0204563 [0,0,1,0,0,0|2,0,0]=3 306 B5R0.1 O=C(O)CCO CS-0147832 [0,0,1,0,0,0|1,1,0]=3 307 B5R0.1 O=[N+]([O-])CCO CS-W013741 [0,0,1,0,0,0|2,1,0]=4 308 B5R0.2 C=CCCCI CS-0135974 [0,0,1,0,0,0|3,0,0]=4 309 B5R0.2 C=CCCNC CS-0197692 [0,0,1,0,0,0|2,0,0]=3 310 B5R0.2 CCCCON CS-0106180 [0,0,1,0,0,0|3,0,0]=4 311 B5R0.2 CCNCCO CS-0076051 [0,0,1,0,0,0|1,0,2]=4 312 B5R0.2 CCSCCN CS-0663845 [0,0,1,0,0,0|1,0,1]=3 313 B5R0.2 CC\C=C\C=O CS-0173472 [0,0,1,0,0,0|1,0,1]=3 314 B5R0.2 CNCCC#N CS-W011357 [0,0,1,0,0,0|2,0,1]=4 315 B5R0.2 CNCCCCl CS-0150991 [0,0,1,0,0,0|2,0,1]=4 316 B5R0.2 CNCCCO CS-W007469 [0,0,1,0,0,0|1,0,2]=4 317 B5R0.2 COCCC#N CS-0030563 [0,0,1,0,0,0|1,1,1]=4 318 B5R0.2 COCCCBr CS-W010945 [0,0,1,0,0,0|1,1,1]=4 319 B5R0.2 COCCNN CS-0249520 [0,0,1,0,0,0|2,1,0]=4 320 B5R0.2 CSCCCO CS-0015993 [0,0,1,0,0,0|0,0,2]=3 321 B5R0.2 N#CCOC=O CS-0181845 [0,0,1,0,0,0|3,0,0]=4 322 B5R0.3 C#CC(=O)NC CS-0202683 [0,0,1,0,0,0|2,0,1]=4 323 B5R0.3 C=C(CCl)CCl CS-W011177 [0,0,1,0,0,0|3,0,0]=4 324 B5R0.3 C=C(CO)CO CS-W009247 [0,0,1,0,0,0|2,1,0]=4 325 B5R0.3 C=CC(=O)NC CS-0134564 [0,0,1,0,0,0|2,0,1]=4 326 B5R0.3 CCC(=N)NO CS-D0340 [0,0,1,0,0,0|2,1,0]=4 327 B5R0.3 CCC(=O)CBr CS-0131119 [0,0,1,0,0,0|1,0,0]=2 328 B5R0.3 CCC(=O)CN CS-W005374 [0,0,1,0,0,0|1,0,0]=2 329 B5R0.3 CCC(=O)CO CS-W005327 [0,0,1,0,0,0|0,1,0]=2 330 B5R0.3 CCC(=O)NC CS-0179730 [0,0,1,0,0,0|2,0,0]=3 331 B5R0.3 CCC(=O)NN CS-0206618 [0,0,1,0,0,0|2,0,0]=3 332 B5R0.3 CCC(=O)O[K] CS-0019431 [0,0,1,0,0,0|2,0,0]=3 333 B5R0.3 CCC(=O)O[Na] CS-0013802 [0,0,1,0,0,0|2,0,0]=3 334 B5R0.3 CCC(Br)CC CS-0015742 [0,0,1,0,0,0|2,0,1]=4 335 B5R0.3 CCC(N)CC CS-0128806 [0,0,1,0,0,0|2,0,1]=4 336 B5R0.3 CCC(O)CC CS-0128838 [0,0,1,0,0,0|1,0,2]=4 337 B5R0.3 CCC(O)CN CS-0109319 [0,0,1,0,0,0|1,0,2]=4 338 B5R0.3 CCS(=O)CC CS-0199213 [0,0,1,0,0,0|2,0,0]=3 339 B5R0.3 CCS(=O)O[Na] CS-0020098 [0,0,1,0,0,0|3,0,0]=4 340 B5R0.3 CC[C@@H](C)CBr CS-0539690 [0,0,1,0,0,0|2,0,1]=4 341 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,0,1,0,0,0|1,1,1]=4 342 B5R0.3 CC[C@H](C)CO CS-0139702 [0,0,1,0,0,0|1,1,1]=4 343 B5R0.3 CC[C@H](N)CO CS-W013745 [0,0,1,0,0,0|1,1,1]=4 344 B5R0.3 CC[C@H](O)CO CS-0031373 [0,0,1,0,0,0|0,1,2]=4 345 B5R0.3 CNC(=O)CBr CS-0023001 [0,0,1,0,0,0|2,0,0]=3 346 B5R0.3 CNC(=O)CCl CS-W007769 [0,0,1,0,0,0|2,0,0]=3 347 B5R0.3 CNC(=O)CI CS-0244983 [0,0,1,0,0,0|2,0,0]=3 348 B5R0.3 CNC(=O)CN CS-0008246 [0,0,1,0,0,0|2,0,0]=3 349 B5R0.3 CNC(=O)CN CS-0130384 [0,0,1,0,0,0|2,0,0]=3 350 B5R0.3 COC(=N)CCl CS-0150960 [0,0,1,0,0,0|3,0,0]=4 351 B5R0.3 COC(=O)CI CS-0235696 [0,0,1,0,0,0|2,0,0]=3 352 B5R0.3 COC(=O)CN CS-W018508 [0,0,1,0,0,0|2,0,0]=3 353 B5R0.3 COC(=O)CO CS-W004068 [0,0,1,0,0,0|1,1,0]=3 354 B5R0.3 COC(=O)NN CS-0015902 [0,0,1,0,0,0|3,0,0]=4 355 B5R0.3 COC(=O)SCl CS-0313613 [0,0,1,0,0,0|3,0,0]=4 356 B5R0.3 NCC(=O)O[Na] CS-W016662 [0,0,1,0,0,0|3,0,0]=4 357 B5R0.3 NNC(=O)CCl CS-0199719 [0,0,1,0,0,0|3,0,0]=4 358 B5R0.3 NNC(=O)CO CS-W006527 [0,0,1,0,0,0|2,1,0]=4 359 B5R0.3 O=C(CBr)CBr CS-W020932 [0,0,1,0,0,0|2,0,0]=3 360 B5R0.3 O=C(CI)O[Na] CS-0014819 [0,0,1,0,0,0|3,0,0]=4 361 B5R0.3 O=C(CO)CO CS-W019614 [0,0,1,0,0,0|1,1,0]=3 362 B5R0.3 O=C(CS)O[Na] CS-0197966 [0,0,1,0,0,0|2,0,0]=3 363 B5R0.3 OCC(O)CS CS-W011288 [0,0,1,0,0,0|1,0,2]=4 364 B5R0.3 OCC(S)CS CS-0013059 [0,0,1,0,0,0|1,1,1]=4 365 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [0,0,1,0,0,0|0,1,2]=4 366 B7R2.11 C1CN2CN1C2 CS-0096563 [0,0,0,1,0,0|3,0,0]=4 367 B7R2.13 C1NCC2CC12 CS-W005878 [0,0,0,1,0,0|2,0,1]=4 368 B7R2.13 C1OCC2OC12 CS-W016680 [0,0,0,1,0,0|0,1,2]=4 369 B5R1.2 BrC1CCC1 CS-0044363 [0,0,0,0,1,0|1,0,1]=3 370 B5R1.2 BrC1CNC1 CS-0051440 [0,0,0,0,1,0|2,0,1]=4 371 B5R1.2 BrC1COC1 CS-D1251 [0,0,0,0,1,0|1,1,1]=4 372 B5R1.2 CC1CCN1 CS-0051841 [0,0,0,0,1,0|2,0,1]=4 373 B5R1.2 CC1CNC1 CS-W019342 [0,0,0,0,1,0|2,0,1]=4 374 B5R1.2 C[C@@H]1CCN1 CS-0100346 [0,0,0,0,1,0|2,0,1]=4 375 B5R1.2 ClC1CNC1 CS-0051403 [0,0,0,0,1,0|2,0,1]=4 376 B5R1.2 FC1CNC1 CS-W001606 [0,0,0,0,1,0|2,0,1]=4 377 B5R1.2 IC1COC1 CS-W017022 [0,0,0,0,1,0|1,1,1]=4 378 B5R1.2 NC1CCC1 CS-0006655 [0,0,0,0,1,0|1,0,1]=3 379 B5R1.2 NC1CNC1 CS-W022573 [0,0,0,0,1,0|2,0,1]=4 380 B5R1.2 NC1COC1 CS-W018946 [0,0,0,0,1,0|1,1,1]=4 381 B5R1.2 NC1CSC1 CS-0045517 [0,0,0,0,1,0|1,0,1]=3 382 B5R1.2 O=C1CCN1 CS-W011364 [0,0,0,0,1,0|1,0,0]=2 383 B5R1.2 O=C1CNC1 CS-W019264 [0,0,0,0,1,0|1,0,0]=2 384 B5R1.2 O=C1COC1 CS-M1912 [0,0,0,0,1,0|0,1,0]=2 385 B5R1.2 O=C1CSC1 CS-B0978 [0,0,0,0,1,0|0,0,0]=1 386 B5R1.2 OC1CCC1 CS-W013758 [0,0,0,0,1,0|0,0,2]=3 387 B5R1.2 OC1CNC1 CS-0084651 [0,0,0,0,1,0|1,0,2]=4 388 B5R1.2 OC1CNC1 CS-D0673 [0,0,0,0,1,0|1,0,2]=4 389 B5R1.2 OC1COC1 CS-W007362 [0,0,0,0,1,0|0,1,2]=4 390 B5R1.2 OC1CSC1 CS-0045447 [0,0,0,0,1,0|0,0,2]=3 391 B7R1.3 BrC1=CCCCC1 CS-0155410 [0,0,0,0,0,1|2,0,0]=3 392 B7R1.3 BrC1=CCOCC1 CS-0069635 [0,0,0,0,0,1|1,1,0]=3 393 B7R1.3 BrC1CCCCC1 CS-W017925 [0,0,0,0,0,1|2,0,1]=4 394 B7R1.3 BrC1CCCOC1 CS-W019418 [0,0,0,0,0,1|1,1,1]=4 395 B7R1.3 BrC1CCNCC1 CS-W014130 [0,0,0,0,0,1|2,0,1]=4 396 B7R1.3 BrC1CCOCC1 CS-W003396 [0,0,0,0,0,1|1,1,1]=4 397 B7R1.3 C=C1CCNCC1 CS-D0508 [0,0,0,0,0,1|2,0,0]=3 398 B7R1.3 CC1=CCCNC1 CS-0050445 [0,0,0,0,0,1|2,0,0]=3 399 B7R1.3 CC1=CCNCC1 CS-W004399 [0,0,0,0,0,1|2,0,0]=3 400 B7R1.3 CC1=NCCCO1 CS-1006941 [0,0,0,0,0,1|3,0,0]=4 401 B7R1.3 CC1CCOCC1 CS-0233092 [0,0,0,0,0,1|1,1,1]=4 402 B7R1.3 CC1CCOCO1 CS-0181838 [0,0,0,0,0,1|1,1,1]=4 403 B7R1.3 CC1CNCCO1 CS-0152670 [0,0,0,0,0,1|2,0,1]=4 404 B7R1.3 CC1CNCCO1 CS-D1584 [0,0,0,0,0,1|2,0,1]=4 405 B7R1.3 CC1COCCN1 CS-W009058 [0,0,0,0,0,1|1,1,1]=4 406 B7R1.3 CN1CCNCC1 CS-W017563 [0,0,0,0,0,1|3,0,0]=4 407 B7R1.3 C[C@@H]1CCCCN1 CS-W019137 [0,0,0,0,0,1|2,0,1]=4 408 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [0,0,0,0,0,1|2,0,1]=4 409 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,0,0,0,0,1|2,0,1]=4 410 B7R1.3 C[C@@H]1CNCCO1 CS-0019313 [0,0,0,0,0,1|2,0,1]=4 411 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,0,0,0,0,1|2,0,1]=4 412 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,0,0,0,0,1|1,1,1]=4 413 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,0,0,0,0,1|1,1,1]=4 414 B7R1.3 C[C@H]1CCCCN1 CS-0145867 [0,0,0,0,0,1|2,0,1]=4 415 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,0,0,0,0,1|2,0,1]=4 416 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,0,0,0,0,1|1,1,1]=4 417 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,0,0,0,0,1|1,1,1]=4 418 B7R1.3 ClC1CCCCC1 CS-0198086 [0,0,0,0,0,1|2,0,1]=4 419 B7R1.3 ClC1CCNCC1 CS-W006160 [0,0,0,0,0,1|2,0,1]=4 420 B7R1.3 ClC1CCOCC1 CS-W016579 [0,0,0,0,0,1|1,1,1]=4 421 B7R1.3 FC1CCCNC1 CS-W001632 [0,0,0,0,0,1|2,0,1]=4 422 B7R1.3 FC1CCNCC1 CS-0040905 [0,0,0,0,0,1|2,0,1]=4 423 B7R1.3 FC1CCNCC1 CS-0101735 [0,0,0,0,0,1|2,0,1]=4 424 B7R1.3 F[C@@H]1CCCNC1 CS-0053327 [0,0,0,0,0,1|2,0,1]=4 425 B7R1.3 IC1CCCCC1 CS-0148628 [0,0,0,0,0,1|2,0,1]=4 426 B7R1.3 IC1CCNCC1 CS-0145320 [0,0,0,0,0,1|2,0,1]=4 427 B7R1.3 IC1CCOCC1 CS-W004278 [0,0,0,0,0,1|1,1,1]=4 428 B7R1.3 NC1CC=CCC1 CS-0076943 [0,0,0,0,0,1|2,0,1]=4 429 B7R1.3 NC1CCCCC1 CS-W013335 [0,0,0,0,0,1|2,0,1]=4 430 B7R1.3 NC1CCCNC1 CS-W002078 [0,0,0,0,0,1|2,0,1]=4 431 B7R1.3 NC1CCCOC1 CS-0044162 [0,0,0,0,0,1|1,1,1]=4 432 B7R1.3 NC1CCCOC1 CS-0069616 [0,0,0,0,0,1|1,1,1]=4 433 B7R1.3 NC1CCOCC1 CS-B0654 [0,0,0,0,0,1|1,1,1]=4 434 B7R1.3 NC1CCOCC1 CS-W002372 [0,0,0,0,0,1|1,1,1]=4 435 B7R1.3 NC1CCSCC1 CS-0043960 [0,0,0,0,0,1|1,0,1]=3 436 B7R1.3 NC1CCSCC1 CS-W000397 [0,0,0,0,0,1|1,0,1]=3 437 B7R1.3 NN1CCCCC1 CS-W007639 [0,0,0,0,0,1|3,0,0]=4 438 B7R1.3 NN1CCOCC1 CS-W001074 [0,0,0,0,0,1|2,1,0]=4 439 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,0,0,0,0,1|2,0,1]=4 440 B7R1.3 N[C@@H]1CCCNC1 CS-W009139 [0,0,0,0,0,1|2,0,1]=4 441 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,0,0,0,0,1|1,1,1]=4 442 B7R1.3 O=C1C=CCCN1 CS-W006454 [0,0,0,0,0,1|1,0,1]=3 443 B7R1.3 O=C1CCCCN1 CS-W022933 [0,0,0,0,0,1|1,0,0]=2 444 B7R1.3 O=C1CCCCO1 CS-W013713 [0,0,0,0,0,1|1,0,0]=2 445 B7R1.3 O=C1CCCNC1 CS-0048756 [0,0,0,0,0,1|1,0,0]=2 446 B7R1.3 O=C1CCCNC1 CS-0185548 [0,0,0,0,0,1|1,0,0]=2 447 B7R1.3 O=C1CCCOC1 CS-D1576 [0,0,0,0,0,1|0,1,0]=2 448 B7R1.3 O=C1CCCSC1 CS-D0446 [0,0,0,0,0,1|0,0,0]=1 449 B7R1.3 O=C1CCOCC1 CS-D0601 [0,0,0,0,0,1|0,1,0]=2 450 B7R1.3 O=C1CCSCC1 CS-W002007 [0,0,0,0,0,1|0,0,0]=1 451 B7R1.3 O=C1CNCCN1 CS-B0039 [0,0,0,0,0,1|1,0,0]=2 452 B7R1.3 O=C1CNCCO1 CS-0098127 [0,0,0,0,0,1|1,0,0]=2 453 B7R1.3 O=C1COCCN1 CS-D1427 [0,0,0,0,0,1|0,1,0]=2 454 B7R1.3 O=C1COCCO1 CS-0031423 [0,0,0,0,0,1|0,1,0]=2 455 B7R1.3 O=C1CSCCN1 CS-W019146 [0,0,0,0,0,1|0,0,0]=1 456 B7R1.3 O=C1NCCCO1 CS-0088044 [0,0,0,0,0,1|2,0,0]=3 457 B7R1.3 O=C1OCCCO1 CS-0155207 [0,0,0,0,0,1|2,0,0]=3 458 B7R1.3 O=S1CCNCC1 CS-0043941 [0,0,0,0,0,1|2,0,0]=3 459 B7R1.3 OC1CC=CCC1 CS-0161778 [0,0,0,0,0,1|1,0,2]=4 460 B7R1.3 OC1CCCCC1 CS-0017198 [0,0,0,0,0,1|1,0,2]=4 461 B7R1.3 OC1CCCCO1 CS-0015921 [0,0,0,0,0,1|1,0,2]=4 462 B7R1.3 OC1CCCNC1 CS-D1393 [0,0,0,0,0,1|1,0,2]=4 463 B7R1.3 OC1CCCNC1 CS-W013706 [0,0,0,0,0,1|1,0,2]=4 464 B7R1.3 OC1CCCOC1 CS-D1560 [0,0,0,0,0,1|0,1,2]=4 465 B7R1.3 OC1CCNCC1 CS-W002165 [0,0,0,0,0,1|1,0,2]=4 466 B7R1.3 OC1CCNCC1 CS-W004328 [0,0,0,0,0,1|1,0,2]=4 467 B7R1.3 OC1CCOCC1 CS-W004264 [0,0,0,0,0,1|0,1,2]=4 468 B7R1.3 OC1CCSCC1 CS-D1275 [0,0,0,0,0,1|0,0,2]=3 469 B7R1.3 OC1CNCCO1 CS-W006148 [0,0,0,0,0,1|1,0,2]=4 470 B7R1.3 OC1COCOC1 CS-W016639 [0,0,0,0,0,1|0,1,2]=4 471 B7R1.3 ON1CCCCC1 CS-W016646 [0,0,0,0,0,1|2,0,1]=4 472 B7R1.3 O[C@@H]1CCCNC1 CS-0053770 [0,0,0,0,0,1|1,0,2]=4 473 B7R1.3 O[C@H]1CCCNC1 CS-0029964 [0,0,0,0,0,1|1,0,2]=4 474 B7R1.3 O[C@H]1CCCNC1 CS-W003070 [0,0,0,0,0,1|1,0,2]=4 475 B7R1.3 S=C1CCCCC1 CS-0661522 [0,0,0,0,0,1|1,1,0]=3 476 B7R1.3 S=C1NCCCN1 CS-0073474 [0,0,0,0,0,1|2,1,0]=4 477 B7R1.3 [C@@H]1(N)CCCOC1 CS-W006989 [0,0,0,0,0,1|1,1,1]=4 478 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,0,0,0,0,1|1,0,2]=4 479 B7R1.3 [C@H]1(C)CCCCN1 CS-0044046 [0,0,0,0,0,1|2,0,1]=4 480 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,0,0,0,0,1|2,0,1]=4 481 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,0,0,0,0,1|2,0,1]=4 482 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,0,0,0,0,1|2,0,1]=4 483 B4R0.1 C=C(C)CN CS-0204398 [1,0,1,0,0,0|2,0,0]=4 484 B4R0.1 CC(=O)C=O CS-0031856 [1,0,1,0,0,0|0,1,1]=4 485 B4R0.1 CC(=O)CN CS-W004850 [1,0,1,0,0,0|1,0,0]=3 486 B4R0.1 CC(=O)CO CS-0017823 [1,0,1,0,0,0|0,1,0]=3 487 B4R0.1 CC(=O)NBr CS-0142503 [1,0,1,0,0,0|2,0,0]=4 488 B4R0.1 CC(=O)NN CS-D1403 [1,0,1,0,0,0|2,0,0]=4 489 B4R0.1 CC(=O)NO CS-4881 [1,0,1,0,0,0|1,1,0]=4 490 B4R0.1 CC(=O)O[Ag] CS-0082496 [1,0,1,0,0,0|1,1,0]=4 491 B4R0.1 CC(=O)O[K] CS-W020131 [1,0,1,0,0,0|1,1,0]=4 492 B4R0.1 CCC(=N)N CS-W019290 [1,0,1,0,0,0|2,0,0]=4 493 B4R0.1 CCC(=N)S CS-W016672 [1,0,1,0,0,0|1,0,0]=3 494 B4R0.1 CCC(N)=O CS-W016688 [1,0,1,0,0,0|1,0,0]=3 495 B4R0.1 CC[C@@H](C)N CS-0379054 [1,0,1,0,0,0|1,0,1]=4 496 B4R0.1 CC[C@@H](C)O CS-0128797 [1,0,1,0,0,0|0,0,2]=4 497 B4R0.1 CC[C@H](C)N CS-0084847 [1,0,1,0,0,0|1,0,1]=4 498 B4R0.1 CNC(=N)S CS-W011347 [1,0,1,0,0,0|2,0,0]=4 499 B4R0.1 CNC(C)=O CS-0031873 [1,0,1,0,0,0|1,0,0]=3 500 B4R0.1 CNC(N)=O CS-W016687 [1,0,1,0,0,0|2,0,0]=4 501 B4R0.1 COC(N)=O CS-0017839 [1,0,1,0,0,0|1,1,0]=4 502 B4R0.1 CSC(=N)N CS-0011749 [1,0,1,0,0,0|2,0,0]=4 503 B4R0.1 CSC(=N)N CS-0134406 [1,0,1,0,0,0|2,0,0]=4 504 B4R0.1 CSC(=N)N CS-0199730 [1,0,1,0,0,0|2,0,0]=4 505 B4R0.1 NC(=O)CBr CS-W007330 [1,0,1,0,0,0|2,0,0]=4 506 B4R0.1 NC(=O)CI CS-0020050 [1,0,1,0,0,0|2,0,0]=4 507 B4R0.1 NC(=O)CO CS-W016686 [1,0,1,0,0,0|1,1,0]=4 508 B4R0.1 NCC(=O)O CS-0158475 [1,0,1,0,0,0|1,1,0]=4 509 B4R0.1 NCC(=O)O CS-0187433 [1,0,1,0,0,0|1,1,0]=4 510 B4R0.1 NCC(=O)O CS-B1641 [1,0,1,0,0,0|1,1,0]=4 511 B4R0.1 NCC(N)=O CS-0149938 [1,0,1,0,0,0|2,0,0]=4 512 B4R0.1 NCC(N)=O CS-W019695 [1,0,1,0,0,0|2,0,0]=4 513 B4R0.2 C=CCCI CS-0139149 [1,0,1,0,0,0|1,0,1]=4 514 B4R0.2 C=CCCN CS-0028781 [1,0,1,0,0,0|1,0,1]=4 515 B4R0.2 CCCCN CS-0214149 [1,0,1,0,0,0|1,0,1]=4 516 B4R0.2 CCCNN CS-0152064 [1,0,1,0,0,0|2,0,0]=4 517 B4R0.2 CCNC=O CS-0187584 [1,0,1,0,0,0|1,0,0]=3 518 B4R0.2 CCNCC CS-0160324 [1,0,1,0,0,0|1,0,1]=4 519 B4R0.2 CCOC=N CS-0333913 [1,0,1,0,0,0|1,1,0]=4 520 B4R0.2 CNCCBr CS-0042068 [1,0,1,0,0,0|2,0,0]=4 521 B4R0.2 CNCCCl CS-W019383 [1,0,1,0,0,0|2,0,0]=4 522 B4R0.2 CNCCO CS-0542090 [1,0,1,0,0,0|1,0,1]=4 523 B4R0.2 CNCCO CS-W008875 [1,0,1,0,0,0|1,0,1]=4 524 B4R0.2 COCCBr CS-0015336 [1,0,1,0,0,0|1,1,0]=4 525 B4R0.2 COCCI CS-0139205 [1,0,1,0,0,0|1,1,0]=4 526 B4R0.2 COCCO CS-0179325 [1,0,1,0,0,0|0,1,1]=4 527 B4R0.2 COCCO CS-0200432 [1,0,1,0,0,0|0,1,1]=4 528 B4R0.2 CSCCN CS-0063136 [1,0,1,0,0,0|1,0,0]=3 529 B4R0.2 CSCCO CS-0150086 [1,0,1,0,0,0|0,0,1]=3 530 B4R0.2 CSCSC CS-W013673 [1,0,1,0,0,0|1,0,0]=3 531 B6R0.1 C=CCC(=O)OC CS-0158011 [0,1,1,0,0,0|1,0,1]=4 532 B6R0.1 CC#CC(=O)OC CS-0066219 [0,1,1,0,0,0|1,0,1]=4 533 B6R0.1 CCC(=O)COC CS-0213932 [0,1,1,0,0,0|0,1,0]=3 534 B6R0.1 CCCC(=O)NN CS-0152447 [0,1,1,0,0,0|2,0,0]=4 535 B6R0.1 CCNC(=O)CBr CS-0239382 [0,1,1,0,0,0|2,0,0]=4 536 B6R0.1 CCOC(=O)CN CS-W020007 [0,1,1,0,0,0|2,0,0]=4 537 B6R0.1 CCOC(=O)CO CS-W019892 [0,1,1,0,0,0|2,0,0]=4 538 B6R0.1 CNC(=O)CC#N CS-W018827 [0,1,1,0,0,0|1,0,1]=4 539 B6R0.1 CNC(=O)CCCl CS-0143787 [0,1,1,0,0,0|1,0,0]=3 540 B6R0.1 CNC(=O)CCO CS-0188403 [0,1,1,0,0,0|0,1,0]=3 541 B6R0.1 CNCC(=O)O[Na] CS-0077129 [0,1,1,0,0,0|2,0,0]=4 542 B6R0.1 COC(=O)CC#N CS-W016657 [0,1,1,0,0,0|1,0,1]=4 543 B6R0.1 COC(=O)CCBr CS-W008728 [0,1,1,0,0,0|1,0,0]=3 544 B6R0.1 COC(=O)CCCl CS-0131786 [0,1,1,0,0,0|1,0,0]=3 545 B6R0.1 COC(=O)CCI CS-0615889 [0,1,1,0,0,0|1,0,0]=3 546 B6R0.1 COC(=O)CCN CS-W007648 [0,1,1,0,0,0|1,0,0]=3 547 B6R0.1 COC(=O)CCO CS-0022864 [0,1,1,0,0,0|0,1,0]=3 548 B6R0.1 COC(=O)CCS CS-0000049 [0,1,1,0,0,0|0,0,0]=2 549 B6R0.1 COC(=O)OCCl CS-0067504 [0,1,1,0,0,0|2,0,0]=4 550 B6R0.1 COCC(=O)NN CS-W005634 [0,1,1,0,0,0|1,1,0]=4 551 B6R0.1 NNC(=O)CCS CS-0513962 [0,1,1,0,0,0|1,0,0]=3 552 B6R0.1 O=C(CCl)NCO CS-0147071 [0,1,1,0,0,0|1,1,0]=4 553 B6R0.2 CC(=O)CC(N)=O CS-0134202 [0,1,1,0,0,0|0,1,1]=4 554 B6R0.2 CC(=O)CN(C)C CS-0204530 [0,1,1,0,0,0|1,0,0]=3 555 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [0,1,1,0,0,0|1,0,0]=3 556 B6R0.2 CC(=O)NC(C)C CS-M3536 [0,1,1,0,0,0|2,0,0]=4 557 B6R0.2 CC(=O)OC(C)Br CS-0135277 [0,1,1,0,0,0|2,0,0]=4 558 B6R0.2 CC(=O)[CH-]C(C)=O CS-0196895 [0,1,1,0,0,0|1,0,1]=4 559 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [0,1,1,0,0,0|1,0,1]=4 560 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085298 [0,1,1,0,0,0|1,0,1]=4 561 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085476 [0,1,1,0,0,0|1,0,1]=4 562 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0105902 [0,1,1,0,0,0|1,0,1]=4 563 B6R0.2 CC(C)CC(=O)O CS-0881782 [0,1,1,0,0,0|2,0,0]=4 564 B6R0.2 CC(C)CC(=O)O CS-W013696 [0,1,1,0,0,0|2,0,0]=4 565 B6R0.2 CC(N)CC(=O)O CS-W009549 [0,1,1,0,0,0|2,0,0]=4 566 B6R0.2 CC(O)CC(=O)O CS-0062335 [0,1,1,0,0,0|1,1,0]=4 567 B6R0.2 CC(O)CC(N)=O CS-0435186 [0,1,1,0,0,0|1,1,0]=4 568 B6R0.2 CN(C)CC(=O)O CS-D1391 [0,1,1,0,0,0|2,0,0]=4 569 B6R0.2 CN(C)CC(=O)O CS-W001158 [0,1,1,0,0,0|2,0,0]=4 570 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [0,1,1,0,0,0|2,0,0]=4 571 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [0,1,1,0,0,0|2,0,0]=4 572 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [0,1,1,0,0,0|1,1,0]=4 573 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,1,1,0,0,0|2,0,0]=4 574 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,1,1,0,0,0|2,0,0]=4 575 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [0,1,1,0,0,0|1,1,0]=4 576 B6R0.3 CC(=O)C(=O)CBr CS-0199660 [0,1,1,0,0,0|1,0,1]=4 577 B6R0.3 CC(CBr)C(=O)O CS-W016048 [0,1,1,0,0,0|2,0,0]=4 578 B6R0.3 CC(CN)C(=O)O CS-W013690 [0,1,1,0,0,0|2,0,0]=4 579 B6R0.3 CCC(=O)C(C)=O CS-W013714 [0,1,1,0,0,0|1,0,1]=4 580 B6R0.3 CCC(Br)C(N)=O CS-0152635 [0,1,1,0,0,0|2,0,0]=4 581 B6R0.3 CCC(N)C(=O)O CS-W011306 [0,1,1,0,0,0|2,0,0]=4 582 B6R0.3 CCC(N)C(N)=O CS-0197483 [0,1,1,0,0,0|2,0,0]=4 583 B6R0.3 CCC(O)C(N)=O CS-0232591 [0,1,1,0,0,0|2,0,0]=4 584 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [0,1,1,0,0,0|2,0,0]=4 585 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [0,1,1,0,0,0|2,0,0]=4 586 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [0,1,1,0,0,0|2,0,0]=4 587 B6R0.3 CC[C@@H](N)C(N)=O CS-0011806 [0,1,1,0,0,0|2,0,0]=4 588 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [0,1,1,0,0,0|2,0,0]=4 589 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [0,1,1,0,0,0|2,0,0]=4 590 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [0,1,1,0,0,0|2,0,0]=4 591 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [0,1,1,0,0,0|2,0,0]=4 592 B6R0.3 CC[C@H](N)C(N)=O CS-0011803 [0,1,1,0,0,0|2,0,0]=4 593 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [0,1,1,0,0,0|2,0,0]=4 594 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [0,1,1,0,0,0|2,0,0]=4 595 B6R0.3 CNC(C)C(=O)O CS-W011307 [0,1,1,0,0,0|2,0,0]=4 596 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [0,1,1,0,0,0|2,0,0]=4 597 B6R0.3 COC(=O)C(C)=O CS-W013701 [0,1,1,0,0,0|0,1,1]=4 598 B6R0.3 COC(C)C(=O)O CS-W004806 [0,1,1,0,0,0|1,1,0]=4 599 B6R0.3 CON(C)C(C)=O CS-W001095 [0,1,1,0,0,0|1,1,0]=4 600 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [0,1,1,0,0,0|1,1,0]=4 601 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [0,1,1,0,0,0|2,0,0]=4 602 B6R0.3 C[C@@H](CN)C(=O)O CS-0062338 [0,1,1,0,0,0|2,0,0]=4 603 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [0,1,1,0,0,0|2,0,0]=4 604 B6R0.3 C[C@H](CN)C(=O)O CS-0444634 [0,1,1,0,0,0|2,0,0]=4 605 B6R0.3 NC(=O)C(Br)CBr CS-0013982 [0,1,1,0,0,0|2,0,0]=4 606 B6R0.3 NC(=O)[C@@H](N)CO CS-W008254 [0,1,1,0,0,0|1,1,0]=4 607 B6R0.3 NC(=O)[C@H](N)CO CS-0158516 [0,1,1,0,0,0|1,1,0]=4 608 B6R0.3 NC(CO)C(=O)O CS-0015292 [0,1,1,0,0,0|1,1,0]=4 609 B6R0.3 NC(CS)C(=O)O CS-0201576 [0,1,1,0,0,0|1,0,0]=3 610 B6R0.3 NC(CS)C(=O)O CS-W013566 [0,1,1,0,0,0|1,0,0]=3 611 B6R0.3 NC(CS)C(=O)O CS-W014367 [0,1,1,0,0,0|1,0,0]=3 612 B6R0.3 NC(CS)C(=O)O CS-W017432 [0,1,1,0,0,0|1,0,0]=3 613 B6R0.3 NCC(F)C(=O)O CS-W011291 [0,1,1,0,0,0|2,0,0]=4 614 B6R0.3 NCC(N)C(=O)O CS-0130703 [0,1,1,0,0,0|2,0,0]=4 615 B6R0.3 NCC(N)C(=O)O CS-W014390 [0,1,1,0,0,0|2,0,0]=4 616 B6R0.3 NCC(O)C(=O)O CS-W013682 [0,1,1,0,0,0|2,0,0]=4 617 B6R0.3 NC[C@@H](N)C(=O)O CS-0311806 [0,1,1,0,0,0|2,0,0]=4 618 B6R0.3 NC[C@@H](N)C(=O)O CS-W011028 [0,1,1,0,0,0|2,0,0]=4 619 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [0,1,1,0,0,0|2,0,0]=4 620 B6R0.3 NC[C@H](N)C(=O)O CS-W014389 [0,1,1,0,0,0|2,0,0]=4 621 B6R0.3 N[C@@H](CCl)C(=O)O CS-7792 [0,1,1,0,0,0|2,0,0]=4 622 B6R0.3 N[C@@H](CO)C(=O)O CS-0201873 [0,1,1,0,0,0|1,1,0]=4 623 B6R0.3 N[C@@H](CO)C(=O)O CS-W020136 [0,1,1,0,0,0|1,1,0]=4 624 B6R0.3 N[C@@H](CS)C(=O)O CS-W009027 [0,1,1,0,0,0|1,0,0]=3 625 B6R0.3 N[C@@H](CS)C(=O)O CS-W017431 [0,1,1,0,0,0|1,0,0]=3 626 B6R0.3 N[C@@H](CS)C(=O)O CS-W018517 [0,1,1,0,0,0|1,0,0]=3 627 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [0,1,1,0,0,0|2,0,0]=4 628 B6R0.3 N[C@H](CCl)C(=O)O CS-W016173 [0,1,1,0,0,0|2,0,0]=4 629 B6R0.3 N[C@H](CO)C(=O)O CS-D1751 [0,1,1,0,0,0|1,1,0]=4 630 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [0,1,1,0,0,0|1,0,0]=3 631 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [0,1,1,0,0,0|1,0,0]=3 632 B6R0.3 O=C(O)C(O)CCl CS-0186802 [0,1,1,0,0,0|2,0,0]=4 633 B6R0.3 O=C(O)C(O)CO CS-W018821 [0,1,1,0,0,0|1,1,0]=4 634 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [0,1,1,0,0,0|2,0,0]=4 635 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [0,1,1,0,0,0|1,1,0]=4 636 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [0,1,1,0,0,0|2,0,0]=4 637 B6R0.3 [C@H](O)(CN)C(=O)O CS-W013683 [0,1,1,0,0,0|2,0,0]=4 638 B6R0.4 C#CCCC(=O)O CS-W008784 [0,1,1,0,0,0|2,0,0]=4 639 B6R0.4 C#CCNC(C)=O CS-0434175 [0,1,1,0,0,0|1,0,1]=4 640 B6R0.4 C#CCOC(C)=O CS-0158541 [0,1,1,0,0,0|1,0,1]=4 641 B6R0.4 C=CCCC(=O)O CS-W009138 [0,1,1,0,0,0|2,0,0]=4 642 B6R0.4 CC(=O)CCCCl CS-W013569 [0,1,1,0,0,0|1,0,0]=3 643 B6R0.4 CC(=O)CCCO CS-0020001 [0,1,1,0,0,0|0,1,0]=3 644 B6R0.4 CC(=O)NCCO CS-W013689 [0,1,1,0,0,0|0,1,0]=3 645 B6R0.4 CC(=O)OCCBr CS-W007598 [0,1,1,0,0,0|1,0,0]=3 646 B6R0.4 CC(=O)OCCN CS-0657679 [0,1,1,0,0,0|1,0,0]=3 647 B6R0.4 CC(=O)OCCO CS-0154995 [0,1,1,0,0,0|0,1,0]=3 648 B6R0.4 CC(C)=CCCBr CS-0155165 [0,1,1,0,0,0|2,0,0]=4 649 B6R0.4 CCCNC(C)=O CS-0246738 [0,1,1,0,0,0|1,0,0]=3 650 B6R0.4 CCCOC(N)=O CS-W019060 [0,1,1,0,0,0|2,0,0]=4 651 B6R0.4 CCNCC(=O)O CS-0201673 [0,1,1,0,0,0|2,0,0]=4 652 B6R0.4 CCOCC(=O)O CS-0071579 [0,1,1,0,0,0|1,1,0]=4 653 B6R0.4 CCSCC(=O)O CS-0197336 [0,1,1,0,0,0|1,0,0]=3 654 B6R0.4 CNCCC(=O)O CS-0112815 [0,1,1,0,0,0|2,0,0]=4 655 B6R0.4 CNCCC(=O)O CS-0169148 [0,1,1,0,0,0|2,0,0]=4 656 B6R0.4 CNCCC(N)=O CS-0214971 [0,1,1,0,0,0|2,0,0]=4 657 B6R0.4 COCCC(=O)O CS-W009112 [0,1,1,0,0,0|1,1,0]=4 658 B6R0.4 CO\C=C\C(C)=O CS-0145411 [0,1,1,0,0,0|0,1,1]=4 659 B6R0.4 CO\C=C\C(C)=O CS-W013712 [0,1,1,0,0,0|0,1,1]=4 660 B6R0.4 CS(=O)CCCN CS-0286765 [0,1,1,0,0,0|2,0,0]=4 661 B6R0.4 CSCCC(=O)O CS-6296 [0,1,1,0,0,0|1,0,0]=3 662 B6R0.4 CSCCC(C)=O CS-0206726 [0,1,1,0,0,0|0,0,0]=2 663 B6R0.4 C\C=C\CC(=O)O CS-0129103 [0,1,1,0,0,0|2,0,0]=4 664 B6R0.4 N#CCCC(=O)O CS-W018565 [0,1,1,0,0,0|2,0,0]=4 665 B6R0.4 NC(=O)NCCCl CS-0317452 [0,1,1,0,0,0|2,0,0]=4 666 B6R0.4 NCCCC(=O)O CS-W020704 [0,1,1,0,0,0|2,0,0]=4 667 B6R0.4 NCCCC(N)=O CS-0103894 [0,1,1,0,0,0|2,0,0]=4 668 B6R0.4 NCCNC(N)=O CS-0139236 [0,1,1,0,0,0|2,0,0]=4 669 B6R0.4 O=C(O)CCCBr CS-W016047 [0,1,1,0,0,0|2,0,0]=4 670 B6R0.4 O=C(O)CCCCl CS-W013545 [0,1,1,0,0,0|2,0,0]=4 671 B6R0.5 CS(=O)(=O)CCBr CS-0084612 [0,1,1,0,0,0|2,0,0]=4 672 B6R0.5 CS(=O)(=O)CCN CS-0139140 [0,1,1,0,0,0|2,0,0]=4 673 B6R0.5 CS(=O)(=O)CCN CS-W003121 [0,1,1,0,0,0|2,0,0]=4 674 B6R0.5 CS(=O)(=O)CCO CS-0059238 [0,1,1,0,0,0|1,1,0]=4 675 B6R0.5 CSCC(C)(C)N CS-0107363 [0,1,1,0,0,0|1,0,1]=4 676 B6R0.5 C[N+](C)(C)CCS CS-0528621 [0,1,1,0,0,0|2,0,0]=4 677 B6R0.6 C=CCCCCBr CS-W008939 [0,1,1,0,0,0|2,0,0]=4 678 B6R0.6 C=CCCCCN CS-0210385 [0,1,1,0,0,0|2,0,0]=4 679 B6R0.6 C=CCCCCO CS-W013711 [0,1,1,0,0,0|2,0,0]=4 680 B6R0.6 C=CCOCCO CS-0157967 [0,1,1,0,0,0|1,1,0]=4 681 B6R0.6 CCC\C=C\C=O CS-0099263 [0,1,1,0,0,0|1,0,1]=4 682 B6R0.6 CSCCCCO CS-0204406 [0,1,1,0,0,0|0,0,2]=4 683 B6R0.6 NCCSCCN CS-W013570 [0,1,1,0,0,0|1,0,1]=4 684 B6R0.8 CCS(=O)(=O)CC CS-0376644 [0,1,1,0,0,0|2,0,0]=4 685 B6R0.9 CCN(C=O)CC CS-W009551 [0,1,1,0,0,0|2,0,0]=4 686 B6R0.9 CCN(CC)N=O CS-0128799 [0,1,1,0,0,0|2,0,0]=4 687 B6R1.4 CC1OCC1=O CS-0051833 [0,1,0,0,1,0|0,1,0]=3 688 B6R1.4 NC1CCC1F CS-0505919 [0,1,0,0,1,0|1,0,1]=4 689 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [0,1,0,0,1,0|0,0,2]=4 690 B6R1.4 O=C1CCC1Br CS-0147268 [0,1,0,0,1,0|0,0,0]=2 691 B6R1.5 CC1CC(N)C1 CS-W006905 [0,1,0,0,1,0|1,0,1]=4 692 B6R1.5 CN1CC(=O)C1 CS-0052428 [0,1,0,0,1,0|1,0,0]=3 693 B6R1.5 CN1CC(Cl)C1 CS-0504631 [0,1,0,0,1,0|2,0,0]=4 694 B6R1.5 CN1CC(O)C1 CS-0040831 [0,1,0,0,1,0|2,0,0]=4 695 B6R1.5 CN1CC(O)C1 CS-0041554 [0,1,0,0,1,0|2,0,0]=4 696 B6R1.5 NC1CC(=O)C1 CS-W005321 [0,1,0,0,1,0|0,0,0]=2 697 B6R1.5 NC1CC(F)C1 CS-0045538 [0,1,0,0,1,0|1,0,1]=4 698 B6R1.5 NC1CC(O)C1 CS-W003832 [0,1,0,0,1,0|0,0,2]=4 699 B6R1.5 NC1CC(O)C1 CS-W020372 [0,1,0,0,1,0|0,0,2]=4 700 B6R1.5 N[C@H]1C[C@@H](F)C1 CS-0049708 [0,1,0,0,1,0|1,0,1]=4 701 B6R1.5 N[C@H]1C[C@@H](O)C1 CS-W022615 [0,1,0,0,1,0|0,0,2]=4 702 B6R1.5 N[C@H]1C[C@H](Br)C1 CS-0309496 [0,1,0,0,1,0|1,0,1]=4 703 B6R1.5 N[C@H]1C[C@H](F)C1 CS-0047786 [0,1,0,0,1,0|1,0,1]=4 704 B6R1.5 N[C@H]1C[C@H](O)C1 CS-W023030 [0,1,0,0,1,0|0,0,2]=4 705 B6R1.5 O=C1CC(O)C1 CS-0051337 [0,1,0,0,1,0|0,0,0]=2 706 B6R1.6 BrCC1CCC1 CS-0015296 [0,1,0,0,1,0|1,0,1]=4 707 B6R1.6 CNC1CCC1 CS-0054580 [0,1,0,0,1,0|1,0,1]=4 708 B6R1.6 ICC1CCC1 CS-0053096 [0,1,0,0,1,0|1,0,1]=4 709 B6R1.6 N#CC1CCC1 CS-0007644 [0,1,0,0,1,0|1,0,1]=4 710 B6R1.6 NCC1CCC1 CS-W004986 [0,1,0,0,1,0|1,0,1]=4 711 B6R1.6 NNC1CCC1 CS-0054590 [0,1,0,0,1,0|1,0,1]=4 712 B6R1.6 NNC1CCC1 CS-D1710 [0,1,0,0,1,0|1,0,1]=4 713 B6R1.6 O=CC1COC1 CS-0048764 [0,1,0,0,1,0|0,1,1]=4 714 B6R1.6 OCC1CCC1 CS-W001922 [0,1,0,0,1,0|0,0,2]=4 715 B6R1.10 CC1(N)CCC1 CS-W021359 [0,1,0,0,1,0|1,0,1]=4 716 B6R1.10 CC1(O)CCC1 CS-0168123 [0,1,0,0,1,0|0,0,2]=4 717 B8R1.2 C#CC1=CCCCC1 CS-0186341 [0,1,0,0,0,1|2,0,0]=4 718 B8R1.2 COC1=NCCCC1 CS-0150206 [0,1,0,0,0,1|1,0,1]=4 719 B8R1.2 N#CC1=CCCCC1 CS-0155409 [0,1,0,0,0,1|2,0,0]=4 720 B8R1.2 N#CC1=CCOCC1 CS-0051592 [0,1,0,0,0,1|1,1,0]=4 721 B8R1.2 NCC1CCSCC1 CS-0045666 [0,1,0,0,0,1|1,0,1]=4 722 B8R1.2 O=CC1=CCCOC1 CS-W005965 [0,1,0,0,0,1|0,1,0]=3 723 B8R1.2 O=CC1CCNCC1 CS-0171609 [0,1,0,0,0,1|1,0,1]=4 724 B8R1.2 O=CC1CCOCC1 CS-D1228 [0,1,0,0,0,1|0,1,1]=4 725 B8R1.2 O=CC1CCSCC1 CS-0199595 [0,1,0,0,0,1|0,0,1]=3 726 B8R1.2 O=CN1CCCCC1 CS-W016610 [0,1,0,0,0,1|2,0,0]=4 727 B8R1.2 O=CN1CCNCC1 CS-W016606 [0,1,0,0,0,1|2,0,0]=4 728 B8R1.2 O=CN1CCOCC1 CS-W016603 [0,1,0,0,0,1|1,1,0]=4 729 B8R1.2 O=NN1CCOCC1 CS-0128913 [0,1,0,0,0,1|1,1,0]=4 730 B8R1.2 OCC1CCSCC1 CS-0053969 [0,1,0,0,0,1|0,0,2]=4 731 B8R1.2 ON=C1CCOCC1 CS-0045844 [0,1,0,0,0,1|0,1,1]=4 732 B8R1.2 ON=C1CCSCC1 CS-0045803 [0,1,0,0,0,1|0,0,1]=3 733 B8R1.3 CC1=NNC(=O)CC1 CS-W011268 [0,1,0,0,0,1|2,0,0]=4 734 B8R1.3 CC1CCC(=O)CC1 CS-W013656 [0,1,0,0,0,1|1,0,0]=3 735 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [0,1,0,0,0,1|1,0,0]=3 736 B8R1.3 CC1CNC(=O)CO1 CS-0444103 [0,1,0,0,0,1|0,1,0]=3 737 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,1,0,0,0,1|1,0,0]=3 738 B8R1.3 C[C@@H]1CNC(=O)CO1 CS-0478990 [0,1,0,0,0,1|0,1,0]=3 739 B8R1.3 C[C@H]1CNC(=O)CO1 CS-0478989 [0,1,0,0,0,1|0,1,0]=3 740 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,1,0,0,0,1|1,0,0]=3 741 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [0,1,0,0,0,1|1,0,0]=3 742 B8R1.3 N[C@H]1CCC(=O)NC1 CS-0185259 [0,1,0,0,0,1|1,0,0]=3 743 B8R1.3 O=C1C=CC(O)OC1 CS-0063151 [0,1,0,0,0,1|0,1,1]=4 744 B8R1.3 O=C1CCC(=O)CC1 CS-W011270 [0,1,0,0,0,1|1,0,0]=3 745 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [0,1,0,0,0,1|1,0,0]=3 746 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,1,0,0,0,1|1,0,0]=3 747 B8R1.3 O=C1CCS(=O)CC1 CS-0188184 [0,1,0,0,0,1|0,0,1]=3 748 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,1,0,0,0,1|1,0,0]=3 749 B8R1.3 O=C1CNC(=O)CN1 CS-0046695 [0,1,0,0,0,1|1,0,1]=4 750 B8R1.3 O=C1COC(=O)CO1 CS-0046191 [0,1,0,0,0,1|0,1,1]=4 751 B8R1.3 OC1CSC(O)CS1 CS-W018087 [0,1,0,0,0,1|0,0,2]=4 752 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [0,1,0,0,0,1|1,0,1]=4 753 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [0,1,0,0,0,1|1,0,0]=3 754 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [0,1,0,0,0,1|0,1,0]=3 755 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [0,1,0,0,0,1|1,0,0]=3 756 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [0,1,0,0,0,1|1,0,0]=3 757 B8R1.4 CC1COCC(=O)N1 CS-0146686 [0,1,0,0,0,1|0,1,0]=3 758 B8R1.4 CN1CCNC(=O)C1 CS-W003814 [0,1,0,0,0,1|1,0,0]=3 759 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [0,1,0,0,0,1|1,0,0]=3 760 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [0,1,0,0,0,1|1,0,0]=3 761 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [0,1,0,0,0,1|1,0,0]=3 762 B8R1.4 C[C@@H]1COCC(=O)N1 CS-0059832 [0,1,0,0,0,1|0,1,0]=3 763 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [0,1,0,0,0,1|1,0,0]=3 764 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [0,1,0,0,0,1|0,1,0]=3 765 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [0,1,0,0,0,1|1,0,1]=4 766 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [0,1,0,0,0,1|1,0,0]=3 767 B8R1.4 O=C1C=C(Cl)CCC1 CS-0180958 [0,1,0,0,0,1|1,0,1]=4 768 B8R1.4 O=C1CC(O)CCN1 CS-W003628 [0,1,0,0,0,1|1,0,0]=3 769 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,1,0,0,0,1|1,0,0]=3 770 B8R1.4 O=C1CCCC(=O)N1 CS-W023103 [0,1,0,0,0,1|1,0,1]=4 771 B8R1.4 O=C1CCNC(=O)N1 CS-W013642 [0,1,0,0,0,1|1,0,1]=4 772 B8R1.4 O=C1CNCC(=O)N1 CS-W003770 [0,1,0,0,0,1|1,0,1]=4 773 B8R1.4 O=C1COCC(=O)O1 CS-0108764 [0,1,0,0,0,1|0,1,1]=4 774 B8R1.4 O=C1C[C@@H](O)CCN1 CS-W021175 [0,1,0,0,0,1|1,0,0]=3 775 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [0,1,0,0,0,1|1,0,0]=3 776 B8R1.5 C=C1CCCNC1=O CS-0312427 [0,1,0,0,0,1|1,0,1]=4 777 B8R1.5 CC1CCCNC1=O CS-0186670 [0,1,0,0,0,1|1,0,0]=3 778 B8R1.5 CC1CNCCC1=O CS-D0046 [0,1,0,0,0,1|1,0,0]=3 779 B8R1.5 CC1CNCCC1=O CS-D0300 [0,1,0,0,0,1|1,0,0]=3 780 B8R1.5 CC1COCCC1=O CS-W003860 [0,1,0,0,0,1|0,1,0]=3 781 B8R1.5 CC1NCCNC1=O CS-0046850 [0,1,0,0,0,1|1,0,0]=3 782 B8R1.5 CN1CCCNC1=O CS-0068150 [0,1,0,0,0,1|2,0,0]=4 783 B8R1.5 CN1CCNCC1=O CS-0052424 [0,1,0,0,0,1|1,0,0]=3 784 B8R1.5 CN1CCNCC1=O CS-D0697 [0,1,0,0,0,1|1,0,0]=3 785 B8R1.5 CN1CCOCC1=O CS-0145226 [0,1,0,0,0,1|0,1,0]=3 786 B8R1.5 C[C@@H]1NCCNC1=O CS-0130514 [0,1,0,0,0,1|1,0,0]=3 787 B8R1.5 C[C@H]1NCCNC1=O CS-0042202 [0,1,0,0,0,1|1,0,0]=3 788 B8R1.5 NC1CCCCC1=O CS-0099232 [0,1,0,0,0,1|1,0,0]=3 789 B8R1.5 NC1CCCN=C1O CS-W005854 [0,1,0,0,0,1|1,0,1]=4 790 B8R1.5 NC1CCCNC1=O CS-D0182 [0,1,0,0,0,1|1,0,0]=3 791 B8R1.5 N[C@@H]1CCCNC1=O CS-0102181 [0,1,0,0,0,1|1,0,0]=3 792 B8R1.5 N[C@H]1CCCNC1=O CS-0112427 [0,1,0,0,0,1|1,0,0]=3 793 B8R1.5 O=C1CCCCC1=O CS-W007347 [0,1,0,0,0,1|1,0,0]=3 794 B8R1.5 O=C1CCCCC1Cl CS-W013402 [0,1,0,0,0,1|1,0,0]=3 795 B8R1.5 O=C1CCCCC1O CS-0262973 [0,1,0,0,0,1|1,0,0]=3 796 B8R1.5 O=C1CCNCC1F CS-0044438 [0,1,0,0,0,1|1,0,0]=3 797 B8R1.5 O=C1CCOCC1Br CS-0039271 [0,1,0,0,0,1|0,1,0]=3 798 B8R1.5 O=C1CCOCC1F CS-0051355 [0,1,0,0,0,1|0,1,0]=3 799 B8R1.5 O=C1NCCCC1O CS-W008630 [0,1,0,0,0,1|1,0,0]=3 800 B8R1.5 O[C@@H]1CSSC[C@H]1O CS-0157913 [0,1,0,0,0,1|0,0,2]=4 801 B8R1.72 N=S1(=O)CCCCC1 CS-0134127 [0,1,0,0,0,1|2,0,0]=4 802 B8R1.72 N=S1(=O)CCNCC1 CS-0163183 [0,1,0,0,0,1|2,0,0]=4 803 B8R1.72 N=S1(=O)CCOCC1 CS-0134129 [0,1,0,0,0,1|1,1,0]=4 804 B8R1.72 O=S1(=O)CCCCN1 CS-W005956 [0,1,0,0,0,1|2,0,0]=4 805 B8R1.72 O=S1(=O)CCCCO1 CS-W018691 [0,1,0,0,0,1|2,0,0]=4 806 B8R1.72 O=S1(=O)CCNCC1 CS-W005419 [0,1,0,0,0,1|2,0,0]=4 807 B8R1.72 O=S1(=O)CCNCC1 CS-W009111 [0,1,0,0,0,1|2,0,0]=4 808 B8R1.72 O=S1(=O)CCOCC1 CS-0128435 [0,1,0,0,0,1|1,1,0]=4 809 B8R1.72 O=S1(=O)COCCN1 CS-0057466 [0,1,0,0,0,1|1,1,0]=4 810 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [0,2,0,0,0,0|2,0,0]=4 811 B8R1.1 C=C[C@H]1COC(=O)C1 CS-0001483 [0,2,0,0,0,0|2,0,0]=4 812 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [0,2,0,0,0,0|2,0,0]=4 813 B8R1.1 COC1=CC(=O)CC1 CS-0040746 [0,2,0,0,0,0|1,0,1]=4 814 B8R1.1 N#C[C@@H]1CCC(=O)C1 CS-0056414 [0,2,0,0,0,0|1,0,0]=3 815 B8R1.1 NCC1CCC(=O)N1 CS-0029734 [0,2,0,0,0,0|2,0,0]=4 816 B8R1.1 NCC1CCC(=O)N1 CS-0075962 [0,2,0,0,0,0|2,0,0]=4 817 B8R1.1 NCC1CNC(=O)C1 CS-0051184 [0,2,0,0,0,0|2,0,0]=4 818 B8R1.1 NC[C@@H]1CCC(=O)N1 CS-0144990 [0,2,0,0,0,0|2,0,0]=4 819 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [0,2,0,0,0,0|2,0,0]=4 820 B8R1.1 O=C1CC(CO)CN1 CS-0046664 [0,2,0,0,0,0|2,0,0]=4 821 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [0,2,0,0,0,0|2,0,0]=4 822 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [0,2,0,0,0,0|1,0,0]=3 823 B8R1.1 O=C1CCC(CO)N1 CS-W001608 [0,2,0,0,0,0|2,0,0]=4 824 B8R1.1 O=C1CCC(CO)O1 CS-0113560 [0,2,0,0,0,0|2,0,0]=4 825 B8R1.1 O=C1CC[C@@H](CBr)N1 CS-B0460 [0,2,0,0,0,0|2,0,0]=4 826 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [0,2,0,0,0,0|2,0,0]=4 827 B8R1.1 O=C1CC[C@H](CO)N1 CS-W001840 [0,2,0,0,0,0|2,0,0]=4 828 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [0,2,0,0,0,0|1,0,1]=4 829 B8R1.7 CC(=O)N1CCCC1 CS-0055117 [0,2,0,0,0,0|2,0,0]=4 830 B8R1.7 NC(=O)C1CCCC1 CS-0205277 [0,2,0,0,0,0|1,0,1]=4 831 B8R1.7 NC(=O)[C@H]1CCNC1 CS-0053244 [0,2,0,0,0,0|1,0,1]=4 832 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [0,2,0,0,0,0|1,0,1]=4 833 B8R1.7 O=C(O)C1=CCOC1 CS-0370980 [0,2,0,0,0,0|0,1,1]=4 834 B8R1.7 O=C(O)C1=COCC1 CS-0067218 [0,2,0,0,0,0|0,1,1]=4 835 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [0,2,0,0,0,0|1,0,1]=4 836 B8R1.7 O=C(O)C1CCNC1 CS-0040176 [0,2,0,0,0,0|1,0,1]=4 837 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [0,2,0,0,0,0|1,0,1]=4 838 B8R1.7 O=C(O)C1CCOC1 CS-W004096 [0,2,0,0,0,0|0,1,1]=4 839 B8R1.7 O=C(O)C1CSCN1 CS-8024 [0,2,0,0,0,0|1,0,1]=4 840 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-0053309 [0,2,0,0,0,0|1,0,1]=4 841 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-D1771 [0,2,0,0,0,0|1,0,1]=4 842 B8R1.7 O=C(O)[C@@H]1CSCN1 CS-W013392 [0,2,0,0,0,0|1,0,1]=4 843 B8R1.7 O=C(O)[C@H]1CCNC1 CS-0053243 [0,2,0,0,0,0|1,0,1]=4 844 B8R1.7 O=C(O)[C@H]1CCNC1 CS-D0752 [0,2,0,0,0,0|1,0,1]=4 845 B8R1.7 O=C(O)[C@H]1CCOC1 CS-0053249 [0,2,0,0,0,0|0,1,1]=4 846 B8R1.7 O=C(O)[C@H]1CSCN1 CS-0097362 [0,2,0,0,0,0|1,0,1]=4 847 B8R1.7 [C@@H]1(C(=O)O)CCOC1 CS-W006196 [0,2,0,0,0,0|0,1,1]=4 848 B8R1.11 C=CN1CCCC1=O CS-W020981 [0,2,0,0,0,0|2,0,0]=4 849 B8R1.11 CCC1CCCC1=O CS-0152470 [0,2,0,0,0,0|1,0,0]=3 850 B8R1.11 CCN1CCCC1=O CS-W013650 [0,2,0,0,0,0|2,0,0]=4 851 B8R1.11 N#CC1CCCC1=O CS-W005103 [0,2,0,0,0,0|1,0,0]=3 852 B8R1.11 N#CC1COCC1=O CS-0050786 [0,2,0,0,0,0|0,1,0]=3 853 B8R1.11 O=C1CCC=C1CO CS-0570228 [0,2,0,0,0,0|1,0,1]=4 854 B8R1.11 O=C1CCCC1CO CS-0136671 [0,2,0,0,0,0|1,0,0]=3 855 B8R1.11 O=C1NCCC1CO CS-0051681 [0,2,0,0,0,0|2,0,0]=4 856 B8R1.11 O=CN1CCCC1=O CS-0136637 [0,2,0,0,0,0|2,0,0]=4 857 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [0,2,0,0,0,0|2,0,0]=4 858 B8R1.18 CN1CC(N)CC1=O CS-0051054 [0,2,0,0,0,0|2,0,0]=4 859 B8R1.18 CN1CC(N)CC1=O CS-0075445 [0,2,0,0,0,0|2,0,0]=4 860 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [0,2,0,0,0,0|1,0,0]=3 861 B8R1.50 CC1CCC(=O)C1=O CS-W011271 [0,2,0,0,0,0|1,0,1]=4 862 B8R1.50 CN1C(=O)CCC1=O CS-0151201 [0,2,0,0,0,0|2,0,0]=4 863 B8R1.50 CN1C(=O)CSC1=O CS-W021969 [0,2,0,0,0,0|1,0,1]=4 864 B8R1.50 CN1CCC(=O)C1=O CS-0139148 [0,2,0,0,0,0|1,0,1]=4 865 B8R1.50 CN1CCC(N)C1=O CS-0133775 [0,2,0,0,0,0|2,0,0]=4 866 B8R1.50 NC1CCN(O)C1=O CS-0200048 [0,2,0,0,0,0|2,0,0]=4 867 B8R1.50 O=C1CCC(=O)C1Br CS-0036203 [0,2,0,0,0,0|1,0,0]=3 868 B8R1.50 O=C1CCC(=O)N1Br CS-W008781 [0,2,0,0,0,0|2,0,0]=4 869 B8R1.50 O=C1CCC(=O)N1Cl CS-W020129 [0,2,0,0,0,0|2,0,0]=4 870 B8R1.50 O=C1CCC(=O)N1I CS-W008878 [0,2,0,0,0,0|2,0,0]=4 871 B8R1.50 O=C1CCC(=O)N1O CS-W008598 [0,2,0,0,0,0|2,0,0]=4 872 B8R1.50 O=C1COC(=O)C1Cl CS-0155475 [0,2,0,0,0,0|0,1,1]=4 873 B8R1.50 O=C1OC[C@@H](O)[C@H]1O CS-0157912 [0,2,0,0,0,0|2,0,0]=4 874 B8R1.51 CC1(C)CCC(=O)C1 CS-W018408 [0,2,0,0,0,0|1,0,0]=3 875 B8R1.51 CC1(C)CCC(=O)N1 CS-W022267 [0,2,0,0,0,0|2,0,0]=4 876 B8R1.51 CC1(C)CCC(=O)O1 CS-0061120 [0,2,0,0,0,0|2,0,0]=4 877 B8R1.51 NC1CCS(=O)(=O)C1 CS-W005500 [0,2,0,0,0,0|2,0,0]=4 878 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 CS-B0948 [0,2,0,0,0,0|2,0,0]=4 879 B8R1.51 N[C@H]1CCS(=O)(=O)C1 CS-B0940 [0,2,0,0,0,0|2,0,0]=4 880 B8R1.51 O=C1CCS(=O)(=O)C1 CS-0036770 [0,2,0,0,0,0|0,0,1]=3 881 B8R1.51 O=S1(=O)CCC(O)C1 CS-W017755 [0,2,0,0,0,0|2,0,0]=4 882 B8R1.19 CC1(C)CCCC1=O CS-0040450 [0,2,0,0,0,0|1,0,0]=3 883 B8R1.19 CC1(C)CCNC1=O CS-0046646 [0,2,0,0,0,0|2,0,0]=4 884 B8R1.19 CC1(C)CONC1=O CS-0067875 [0,2,0,0,0,0|1,1,0]=4 885 B6R1.8 C=C1CC1CO CS-0054284 [0,0,1,1,0,0|1,1,0]=4 886 B6R1.11 NC(=O)C1CC1 CS-W011356 [0,0,1,1,0,0|2,0,0]=4 887 B6R1.11 NC(=O)C1CO1 CS-0067053 [0,0,1,1,0,0|1,1,0]=4 888 B6R1.11 O=C(O)C1CC1 CS-W018339 [0,0,1,1,0,0|2,0,0]=4 889 B6R1.1 C1=CCNCC1 CS-W021272 [0,0,1,1,0,0|2,0,0]=4 890 B6R1.1 C1CSCCN1 CS-W007359 [0,0,1,1,0,0|1,0,1]=4 891 B6R1.1 C1CSCCO1 CS-0155184 [0,0,1,1,0,0|0,0,2]=4 892 B6R1.1 C1CSCCS1 CS-0698377 [0,0,1,1,0,0|0,1,1]=4 893 B6R1.1 C1CSCSC1 CS-W001189 [0,0,1,1,0,0|0,1,1]=4 894 B8R2.18 O=C1CC2CC2C1 CS-0036289 [0,0,0,1,0,1|1,0,0]=3 895 B4R1.1 C1CNC1 CS-W011344 [1,0,0,0,1,0|1,0,0]=3 896 B4R1.2 IC1CC1 CS-0197833 [0,0,0,0,2,0|1,0,1]=4 897 B4R1.2 NC1CC1 CS-0697476 [0,0,0,0,2,0|1,0,1]=4 898 B4R1.2 OC1CC1 CS-0059134 [0,0,0,0,2,0|0,0,2]=4 899 B8R1.22 BrC1=CCCCCC1 CS-0448697 [0,0,0,0,0,2|2,0,0]=4 900 B8R1.22 C=C1OCCCCO1 CS-W006464 [0,0,0,0,0,2|2,0,0]=4 901 B8R1.22 O=C1C=CCCCC1 CS-W007594 [0,0,0,0,0,2|1,0,0]=3 902 B8R1.22 O=C1CCCCCN1 CS-W011258 [0,0,0,0,0,2|1,0,0]=3 903 B8R1.22 O=C1CCCCNC1 CS-0155246 [0,0,0,0,0,2|1,0,0]=3 904 B8R1.22 O=C1CCCNCC1 CS-W001845 [0,0,0,0,0,2|1,0,0]=3 905 B8R1.22 O=C1CCNCCN1 CS-W003673 [0,0,0,0,0,2|1,0,0]=3 906 B8R1.22 O=C1CCOCCN1 CS-W021289 [0,0,0,0,0,2|0,1,0]=3 907 B8R1.22 O=C1COCCCN1 CS-0037454 [0,0,0,0,0,2|0,1,0]=3 908 B8R1.22 O=C1OCCCCO1 CS-0665438 [0,0,0,0,0,2|1,0,0]=3 909 B8R1.22 OC1=NCCNCC1 CS-W011246 [0,0,0,0,0,2|1,0,1]=4