0 B6R0.1 C#CC(=O)NCC CS-0168077 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C=CC(=O)NCC CS-W013719 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CCCC(=O)NN CS-0152447 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCNC(=O)CBr CS-0239382 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCOC(=O)C#N CS-0022374 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CCOC(=O)CN CS-W020007 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CCOC(=O)CO CS-W019892 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 CCOC(=O)NN CS-W008412 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.1 CCOC(C)CC CS-0196425 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 CC#CC(=O)O CS-W007936 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.1 CC(=O)CCCl CS-W022162 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.1 CC(=O)CCN CS-0209803 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.1 CC(=O)NCO CS-0061075 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CC(=O)OCBr CS-0090812 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 CC(=O)OCCl CS-0139458 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 CC(C)=CCCl CS-0204351 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.1 CC(C)=CCN CS-0236946 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 CC(C)=CCO CS-W013751 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 CCCC(=N)N CS-W013544 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CCCC(=O)O CS-0977378 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CCCC(N)=O CS-0130522 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.1 CCC[C@@H](C)N CS-0162182 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 CCC[C@H](C)N CS-W006528 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 CCNC(N)=O CS-W011351 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 CCNC(N)=S CS-0180914 [1,0,0,0,0,0|2,1,0]=4 26 B5R0.1 CCOC(=N)N CS-W019160 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 CCOC(C)=N CS-W008601 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 CCOC(N)=O CS-4731 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 CCSC(=N)N CS-0021039 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 CNCC(=O)O CS-W013507 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CNCC(=O)O CS-W018511 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CNCC(N)=O CS-W011178 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 COCC(=O)O CS-W020123 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 CSCC(=O)O CS-0015159 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 CSCC(N)=O CS-0150088 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 CSCS(C)=O CS-0146450 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 C\C(N)=C\C#N CS-0005803 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 C\C=C\C(=O)O CS-0017976 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.1 C\C=C\C(C)=O CS-0022376 [1,0,0,0,0,0|0,0,1]=2 40 B5R0.1 C\C=C\C(C)=O CS-0513711 [1,0,0,0,0,0|0,0,1]=2 41 B5R0.1 NC(=O)CCBr CS-0046169 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 NC(=O)CCCl CS-0204808 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 NC(=O)CCO CS-0205185 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 NCCC(=O)O CS-0668359 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 NCCC(=O)O CS-W020126 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 O=C(O)CCF CS-0038385 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 O=C(O)CCI CS-0204563 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 O=C(O)CCO CS-0147832 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 O=C(O)\C=C/Cl CS-0196837 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 O=C(O)\C=C/I CS-0668652 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 O=C(O)\C=C\Br CS-0063842 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 O=C(O)\C=C\I CS-0092724 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.2 BrC\C=C\CBr CS-0005942 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 BrC\C=C\CBr CS-0017873 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.2 CC\C=C\C=O CS-0173472 [1,0,0,0,0,0|0,0,0]=1 56 B5R0.2 C\C=C\CCO CS-0162245 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.2 NC\C=C/CCl CS-M0797 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.2 NC\C=C/CN CS-WAA0092 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.2 NC\C=C\CN CS-0374306 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.2 OC\C=C\CO CS-0130476 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.2 OC\C=C\CO CS-B0322 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.3 C=CC(=O)NC CS-0134564 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.3 CCC(=N)NO CS-D0340 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.3 CCC(=O)CBr CS-0131119 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.3 CCC(=O)CN CS-W005374 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.3 CCC(=O)CO CS-W005327 [1,0,0,0,0,0|1,0,2]=4 67 B5R0.3 CCC(=O)NC CS-0179730 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.3 CCC(=O)NN CS-0206618 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.3 CCC(=O)O[K] CS-0019431 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.3 CCC(=O)O[Na] CS-0013802 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.3 CCC(C)C#N CS-0648856 [1,0,0,0,0,0|1,0,2]=4 72 B5R0.3 CCC(C)C#N CS-0649016 [1,0,0,0,0,0|1,0,2]=4 73 B5R0.3 CCC(C)C#N CS-0649019 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.3 CC[C@@H](C)CBr CS-0539690 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.3 CC[C@H](C)CO CS-0139702 [1,0,0,0,0,0|0,0,3]=4 76 B5R0.3 CON(C)C=O CS-0128675 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.3 O=CC(O)CO CS-0102543 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.2 C=CC(=O)NC(C)C CS-0891513 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.2 C=CC(=O)NC(C)C CS-W011259 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.2 C\C(C=O)=C/N(C)C CS-M0504 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.3 C=CC(=O)NCCN CS-0128084 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.3 C=CC(=O)OCCBr CS-0106645 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.3 C=CC(=O)OCCO CS-W013616 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.5 CC(=O)N(C)CCO CS-0112257 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.5 CCCC(=O)C(C)=O CS-0258819 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.5 CCCC(C)C(=O)O CS-W011232 [0,1,0,0,0,0|0,0,2]=3 87 B7R0.5 CCCC(N)C(=O)O CS-W011226 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.5 CCC[C@@H](N)C(=O)O CS-0015963 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.5 CCC[C@H](N)C(=O)O CS-D1371 [0,1,0,0,0,0|1,0,2]=4 90 B7R0.5 CCC[C@H](O)C(=O)O CS-W007126 [0,1,0,0,0,0|1,0,2]=4 91 B7R0.5 CCOC(=O)C(=N)N CS-0151910 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.5 CCOC(=O)C(C)=O CS-0017821 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.5 CCOC(=O)C(N)=O CS-0008213 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.5 CCOC(=O)C(N)=S CS-M2164 [0,1,0,0,0,0|2,1,0]=4 97 B7R0.5 CC\C=C(/C)C(=O)O CS-0031404 [0,1,0,0,0,0|0,0,0]=1 98 B7R0.5 CC\C=C(/C)C(=O)O CS-W011249 [0,1,0,0,0,0|0,0,0]=1 99 B7R0.7 C=C=CC(=O)OCC CS-0204496 [0,1,0,0,0,0|3,0,0]=4 100 B7R0.7 C=CCC(=O)OCC CS-0147250 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.7 CCO\C(C)=N\C#N CS-0147117 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.10 CCC(=O)C(=O)CC CS-W013639 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.10 CCC(=O)C(=O)O[Na] CS-W005355 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.10 CCC(=O)N(C)OC CS-0122993 [0,1,0,0,0,0|3,0,0]=4 105 B7R1.1 COC1=NCCC1 CS-W022401 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.1 O=CC1=CC=CN1 CS-D0925 [0,0,0,1,0,0|1,0,2]=4 107 B7R1.1 O=CC1=CC=CS1 CS-W013657 [0,0,0,1,0,0|1,0,2]=4 108 B7R1.1 O=CC1=CC=NS1 CS-0171021 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.1 O=CC1=CN=CO1 CS-W000738 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.1 O=CC1=CN=CS1 CS-D0828 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.1 O=CC1=CN=NN1 CS-0147648 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.1 O=CC1=CNC=C1 CS-D1061 [0,0,0,1,0,0|1,0,2]=4 113 B7R1.1 O=CC1=CNC=N1 CS-D1058 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.1 O=CC1=CNN=C1 CS-W000338 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.1 O=CC1=CNN=C1 CS-W019597 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.1 O=CC1=COC=C1 CS-M0782 [0,0,0,1,0,0|1,0,2]=4 117 B7R1.1 O=CC1=COC=N1 CS-0044894 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.1 O=CC1=CSC=C1 CS-W001968 [0,0,0,1,0,0|1,0,2]=4 119 B7R1.1 O=CC1=CSC=N1 CS-W007683 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.1 O=CC1=CSN=N1 CS-0216222 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.1 O=CC1=NNC=C1 CS-W004202 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.1 O=CC1CCOC1 CS-W004272 [0,0,0,1,0,0|1,0,2]=4 123 B7R1.1 O=CN1CCCC1 CS-0155290 [0,0,0,1,0,0|1,0,1]=3 124 B7R1.1 O=NN1CCCC1 CS-0199565 [0,0,0,1,0,0|2,0,1]=4 125 B7R1.1 ON=C1CCCC1 CS-W013717 [0,0,0,1,0,0|1,0,2]=4 126 B7R1.2 CC1=CC(Br)=CS1 CS-W003194 [0,0,0,1,0,0|1,1,1]=4 127 B7R1.2 CC1=CC(C)=NO1 CS-0005667 [0,0,0,1,0,0|1,0,2]=4 128 B7R1.2 CC1=CC=C(C)N1 CS-W011343 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.2 CC1=CC=C(C)S1 CS-0022382 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.2 CC1=CN(C)N=C1 CS-W021288 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.2 CC1=CN(C)N=N1 CS-0061354 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.2 CC1=CN=C(C)N1 CS-W013729 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.2 CC1=CN=C(C)S1 CS-W002408 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.2 CC1=CNC(C)=C1 CS-W011342 [0,0,0,1,0,0|1,0,1]=3 135 B7R1.2 CC1=CSC(C)=C1 CS-0152847 [0,0,0,1,0,0|0,1,1]=3 136 B7R1.2 CC1=CSC(C)=N1 CS-W013648 [0,0,0,1,0,0|1,1,1]=4 137 B7R1.2 CC1=NN(C)C=C1 CS-W002168 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.2 CC1C=CC(=O)O1 CS-0152699 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.2 CN1C=C(Br)C=N1 CS-W002913 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.2 CN1C=C(Cl)C=N1 CS-W003493 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.2 CN1C=C(I)C=N1 CS-W004080 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.2 CN1C=C(N)C=N1 CS-0151184 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.2 CN1C=C(N)C=N1 CS-W007391 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.2 CN1C=C(O)C=N1 CS-0044173 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.2 CN1C=CC(N)=C1 CS-0196553 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.2 CN1C=C[N+](C)=C1 CS-0038445 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.2 CN1C=C[N+](C)=C1 CS-0315342 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.2 CN1C=C[N+](C)=C1 CS-0454279 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.2 CN1C=C[N+](C)=C1 CS-W011086 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.2 CN1C=C[N+](C)=C1 CS-W013118 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.3 BrC1=CCCCC1 CS-0155410 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.3 CC1=CC=NN=C1 CS-W019241 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.3 CC1=CCCNC1 CS-0050445 [0,0,0,1,0,0|1,0,1]=3 154 B7R1.3 CC1=CCNCC1 CS-W004399 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.3 CC1=CN=CN=C1 CS-D0065 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.3 CC1=NCCCO1 CS-1006941 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.3 O=C1C=CCCN1 CS-W006454 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.4 BrC1=C(Br)CCC1 CS-W013034 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.4 CC1=C(Br)SC=C1 CS-W002276 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.4 CC1=C(Br)SN=C1 CS-0309185 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.4 CC1=C(C)SC=C1 CS-W011263 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.4 CC1=C(I)NN=C1 CS-0035606 [0,0,0,1,0,0|3,0,0]=4 163 B7R1.4 CC1=C(I)SC=C1 CS-0527678 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.4 CC1=C(N)NN=C1 CS-0050811 [0,0,0,1,0,0|3,0,0]=4 165 B7R1.4 CC1=CCCC1=O CS-0180943 [0,0,0,1,0,0|0,0,0]=1 166 B7R1.4 CC1=CNN=C1Br CS-0035699 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.4 CC1=CNN=C1C CS-0028725 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.4 CC1=CNN=C1C CS-W005197 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.4 CC1=CSC=C1Br CS-W008032 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.4 CC1=CSC=C1C CS-W005271 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.4 CC1CCNC1=O CS-W004958 [0,0,0,1,0,0|1,0,2]=4 172 B7R1.4 CC1CCOC1=O CS-0152675 [0,0,0,1,0,0|1,0,2]=4 173 B7R1.4 CC1OCCC1=O CS-W011324 [0,0,0,1,0,0|1,0,1]=3 174 B7R1.4 CC1SCCC1=O CS-W011228 [0,0,0,1,0,0|1,0,1]=3 175 B7R1.4 CN1CCCC1=O CS-0017258 [0,0,0,1,0,0|1,0,1]=3 176 B7R1.4 CN1CCCC1=S CS-W013619 [0,0,0,1,0,0|1,1,1]=4 177 B7R1.4 CN1CCNC1=O CS-W005507 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.4 CN1CCOC1=O CS-W016647 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.4 CN1N=CCC1=O CS-0151202 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.4 NN1CCCC1=O CS-D0019 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.4 O=C1CCC=C1O CS-W019237 [0,0,0,1,0,0|1,0,0]=2 182 B7R1.25 CC1(C=O)COC1 CS-W019097 [0,0,0,1,0,0|1,0,2]=4 183 B4R0.1 C(=O)C(=O)O CS-0031458 [2,0,0,0,0,0|2,0,0]=4 184 B4R0.1 C=C(Br)CBr CS-0132263 [2,0,0,0,0,0|2,0,0]=4 185 B4R0.1 C=C(C)CN CS-0204398 [2,0,0,0,0,0|1,0,0]=3 186 B4R0.1 C=CC(=O)O CS-0356466 [2,0,0,0,0,0|1,0,1]=4 187 B4R0.1 C=CC(=O)O CS-0356467 [2,0,0,0,0,0|1,0,1]=4 188 B4R0.1 C=CC(=O)O CS-0356469 [2,0,0,0,0,0|1,0,1]=4 189 B4R0.1 C=CC(=O)O CS-0356470 [2,0,0,0,0,0|1,0,1]=4 190 B4R0.1 C=CC(=O)O CS-0356471 [2,0,0,0,0,0|1,0,1]=4 191 B4R0.1 C=CC(N)=O CS-0255029 [2,0,0,0,0,0|1,0,1]=4 192 B4R0.1 C=CC(N)=O CS-0255030 [2,0,0,0,0,0|1,0,1]=4 193 B4R0.1 CC(=O)C=O CS-0031856 [2,0,0,0,0,0|1,0,0]=3 194 B4R0.1 CC(=O)CN CS-W004850 [2,0,0,0,0,0|1,0,0]=3 195 B4R0.1 CC(=O)CO CS-0017823 [2,0,0,0,0,0|1,0,0]=3 196 B4R0.1 CC(=O)NBr CS-0142503 [2,0,0,0,0,0|2,0,0]=4 197 B4R0.1 CC(=O)NN CS-D1403 [2,0,0,0,0,0|2,0,0]=4 198 B4R0.1 CC(=O)NO CS-4881 [2,0,0,0,0,0|2,0,0]=4 199 B4R0.1 CC(=O)O[Ag] CS-0082496 [2,0,0,0,0,0|2,0,0]=4 200 B4R0.1 CC(=O)O[K] CS-W020131 [2,0,0,0,0,0|2,0,0]=4 201 B4R0.1 CC(C)=NO CS-W009556 [2,0,0,0,0,0|1,0,1]=4 202 B4R0.1 CCC(=N)N CS-W019290 [2,0,0,0,0,0|2,0,0]=4 203 B4R0.1 CCC(=N)S CS-W016672 [2,0,0,0,0,0|1,1,0]=4 204 B4R0.1 CCC(N)=O CS-W016688 [2,0,0,0,0,0|1,0,0]=3 205 B4R0.1 CC[C@@H](C)N CS-0379054 [2,0,0,0,0,0|1,0,1]=4 206 B4R0.1 CC[C@@H](C)O CS-0128797 [2,0,0,0,0,0|0,0,2]=4 207 B4R0.1 CC[C@H](C)N CS-0084847 [2,0,0,0,0,0|1,0,1]=4 208 B4R0.1 CNC(C)=O CS-0031873 [2,0,0,0,0,0|1,0,0]=3 209 B4R0.1 CNC(N)=O CS-W016687 [2,0,0,0,0,0|2,0,0]=4 210 B4R0.1 COC(N)=O CS-0017839 [2,0,0,0,0,0|2,0,0]=4 211 B4R0.1 NC(=O)CBr CS-W007330 [2,0,0,0,0,0|2,0,0]=4 212 B4R0.1 NC(=O)CI CS-0020050 [2,0,0,0,0,0|2,0,0]=4 213 B4R0.1 NC(=O)CO CS-W016686 [2,0,0,0,0,0|2,0,0]=4 214 B4R0.1 NCC(=O)O CS-0158475 [2,0,0,0,0,0|2,0,0]=4 215 B4R0.1 NCC(=O)O CS-0187433 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.1 NCC(=O)O CS-B1641 [2,0,0,0,0,0|2,0,0]=4 217 B4R0.1 NCC(N)=O CS-0149938 [2,0,0,0,0,0|2,0,0]=4 218 B4R0.1 NCC(N)=O CS-W019695 [2,0,0,0,0,0|2,0,0]=4 219 B4R0.1 O=CC(=O)O CS-W019807 [2,0,0,0,0,0|2,0,0]=4 220 B4R0.2 C=CCCI CS-0139149 [2,0,0,0,0,0|1,0,1]=4 221 B4R0.2 C=CCCN CS-0028781 [2,0,0,0,0,0|1,0,1]=4 222 B4R0.2 CCNC=O CS-0187584 [2,0,0,0,0,0|1,0,0]=3 223 B4R0.2 CCNCC CS-0160324 [2,0,0,0,0,0|1,0,1]=4 224 B4R0.2 CCOC=N CS-0333913 [2,0,0,0,0,0|2,0,0]=4 225 B4R0.2 O=C[N-]C=O CS-0170804 [2,0,0,0,0,0|2,0,0]=4 226 B6R0.2 CC(=O)CN(C)C CS-0204530 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [1,1,0,0,0,0|0,0,1]=3 228 B6R0.2 CC(=O)NC(C)C CS-M3536 [1,1,0,0,0,0|1,0,0]=3 229 B6R0.2 CC(=O)OC(C)Br CS-0135277 [1,1,0,0,0,0|1,0,0]=3 230 B6R0.2 CC(=O)[CH-]C(C)=O CS-0196895 [1,1,0,0,0,0|0,0,2]=4 231 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [1,1,0,0,0,0|0,0,1]=3 232 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085298 [1,1,0,0,0,0|0,0,1]=3 233 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085476 [1,1,0,0,0,0|0,0,1]=3 234 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0105902 [1,1,0,0,0,0|0,0,1]=3 235 B6R0.2 CC(C)=CC(=O)O CS-W011327 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.2 CC(C)CC(=O)O CS-0881782 [1,1,0,0,0,0|1,0,1]=4 237 B6R0.2 CC(C)CC(=O)O CS-W013696 [1,1,0,0,0,0|1,0,1]=4 238 B6R0.2 CC(C)NC(N)=O CS-0162822 [1,1,0,0,0,0|2,0,0]=4 239 B6R0.2 CC(C)OC(N)=O CS-0119929 [1,1,0,0,0,0|2,0,0]=4 240 B6R0.2 CC(N)CC(=O)O CS-W009549 [1,1,0,0,0,0|1,0,1]=4 241 B6R0.2 CC(O)CC(=O)O CS-0062335 [1,1,0,0,0,0|1,0,1]=4 242 B6R0.2 CC(O)CC(N)=O CS-0435186 [1,1,0,0,0,0|1,0,1]=4 243 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [1,1,0,0,0,0|1,0,1]=4 244 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [1,1,0,0,0,0|1,0,1]=4 245 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [1,1,0,0,0,0|1,0,1]=4 246 B6R0.2 C\C(Cl)=C/C(=O)O CS-0834363 [1,1,0,0,0,0|1,0,1]=4 247 B6R0.2 C\C(Cl)=C\C(=O)O CS-0834361 [1,1,0,0,0,0|1,0,1]=4 248 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [1,1,0,0,0,0|1,0,1]=4 249 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [1,1,0,0,0,0|1,0,1]=4 250 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [1,1,0,0,0,0|1,0,1]=4 251 B6R0.3 C(C)=C(/C)C(=O)O CS-W009553 [1,1,0,0,0,0|1,0,1]=4 252 B6R0.3 C=C(C)C(=O)NC CS-0167922 [1,1,0,0,0,0|1,0,0]=3 253 B6R0.3 C=C(C)C(=O)O[Na] CS-W016633 [1,1,0,0,0,0|2,0,0]=4 254 B6R0.3 C=C(CBr)C(=O)O CS-W017896 [1,1,0,0,0,0|2,0,0]=4 255 B6R0.3 CC(=O)C(=O)CBr CS-0199660 [1,1,0,0,0,0|1,0,0]=3 256 B6R0.3 CC(=O)C(=O)O[K] CS-0155155 [1,1,0,0,0,0|2,0,0]=4 257 B6R0.3 CC(=O)C(=O)O[Na] CS-W016629 [1,1,0,0,0,0|2,0,0]=4 258 B6R0.3 CCC(=O)C(=O)O CS-W007926 [1,1,0,0,0,0|1,0,0]=3 259 B6R0.3 CCC(=O)C(C)=O CS-W013714 [1,1,0,0,0,0|0,0,0]=2 260 B6R0.3 CCC(=O)N(C)C CS-W001248 [1,1,0,0,0,0|1,0,1]=4 261 B6R0.3 CCC(=S)N(C)C CS-0160405 [1,1,0,0,0,0|1,0,1]=4 262 B6R0.3 CCC(Br)C(N)=O CS-0152635 [1,1,0,0,0,0|1,0,1]=4 263 B6R0.3 CCC(N)C(=O)O CS-W011306 [1,1,0,0,0,0|1,0,1]=4 264 B6R0.3 CCC(N)C(N)=O CS-0197483 [1,1,0,0,0,0|1,0,1]=4 265 B6R0.3 CCC(O)C(N)=O CS-0232591 [1,1,0,0,0,0|1,0,1]=4 266 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [1,1,0,0,0,0|1,0,1]=4 267 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [1,1,0,0,0,0|1,0,1]=4 268 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [1,1,0,0,0,0|1,0,1]=4 269 B6R0.3 CC[C@@H](N)C(N)=O CS-0011806 [1,1,0,0,0,0|1,0,1]=4 270 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [1,1,0,0,0,0|1,0,1]=4 271 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [1,1,0,0,0,0|1,0,1]=4 272 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [1,1,0,0,0,0|1,0,1]=4 273 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [1,1,0,0,0,0|1,0,1]=4 274 B6R0.3 CC[C@H](N)C(N)=O CS-0011803 [1,1,0,0,0,0|1,0,1]=4 275 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [1,1,0,0,0,0|1,0,1]=4 276 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [1,1,0,0,0,0|1,0,1]=4 277 B6R0.3 CNC(=O)C(=O)O CS-0113142 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.3 COC(=O)C(C)=O CS-W013701 [1,1,0,0,0,0|1,0,0]=3 279 B6R0.3 CON(C)C(C)=O CS-W001095 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.3 C\C=C(/C)C(=O)O CS-0356606 [1,1,0,0,0,0|1,0,1]=4 281 B6R0.3 C\C=C(/C)C(=O)O CS-W013715 [1,1,0,0,0,0|1,0,1]=4 282 B6R0.3 O=C(O)C(=O)CBr CS-5517 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [1,1,0,0,0,0|1,0,1]=4 284 B6R0.4 C#CCNC(C)=O CS-0434175 [1,1,0,0,0,0|1,0,1]=4 285 B6R0.4 C#CCOC(C)=O CS-0158541 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.4 CC(=O)CCCCl CS-W013569 [1,1,0,0,0,0|0,0,1]=3 287 B6R0.4 CC(=O)CCCO CS-0020001 [1,1,0,0,0,0|0,0,1]=3 288 B6R0.4 CC(=O)NCCO CS-W013689 [1,1,0,0,0,0|1,0,0]=3 289 B6R0.4 CC(=O)OCCBr CS-W007598 [1,1,0,0,0,0|1,0,0]=3 290 B6R0.4 CC(=O)OCCN CS-0657679 [1,1,0,0,0,0|1,0,0]=3 291 B6R0.4 CC(=O)OCCO CS-0154995 [1,1,0,0,0,0|1,0,0]=3 292 B6R0.4 CC(C)=CCCBr CS-0155165 [1,1,0,0,0,0|0,0,1]=3 293 B6R0.4 CCC#CC(=O)O CS-W013726 [1,1,0,0,0,0|1,0,1]=4 294 B6R0.4 CCCNC(C)=O CS-0246738 [1,1,0,0,0,0|0,0,1]=3 295 B6R0.4 CCCOC(N)=O CS-W019060 [1,1,0,0,0,0|1,0,1]=4 296 B6R0.4 CCNCC(=O)O CS-0201673 [1,1,0,0,0,0|1,0,1]=4 297 B6R0.4 CCOCC(=O)O CS-0071579 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.4 CCSCC(=O)O CS-0197336 [1,1,0,0,0,0|1,0,1]=4 299 B6R0.4 CC\C=C\C(=O)O CS-0053528 [1,1,0,0,0,0|1,0,0]=3 300 B6R0.4 CNCCC(=O)O CS-0112815 [1,1,0,0,0,0|1,0,1]=4 301 B6R0.4 CNCCC(=O)O CS-0169148 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.4 CNCCC(N)=O CS-0214971 [1,1,0,0,0,0|1,0,1]=4 303 B6R0.4 COCCC(=O)O CS-W009112 [1,1,0,0,0,0|1,0,1]=4 304 B6R0.4 CO\C=C\C(=O)O CS-0201343 [1,1,0,0,0,0|1,0,1]=4 305 B6R0.4 CO\C=C\C(C)=O CS-0145411 [1,1,0,0,0,0|0,0,1]=3 306 B6R0.4 CO\C=C\C(C)=O CS-W013712 [1,1,0,0,0,0|0,0,1]=3 307 B6R0.4 CS(=O)CCCN CS-0286765 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.4 CSCCC(=O)O CS-6296 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.4 CSCCC(C)=O CS-0206726 [1,1,0,0,0,0|0,0,1]=3 310 B6R0.4 C\C=C\CC(=O)O CS-0129103 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.4 NC(=O)NCCCl CS-0317452 [1,1,0,0,0,0|2,0,0]=4 312 B6R0.4 NCCCC(=O)O CS-W020704 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.4 NCCCC(N)=O CS-0103894 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.4 NCCNC(N)=O CS-0139236 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.4 O=C(O)CCCBr CS-W016047 [1,1,0,0,0,0|1,0,1]=4 316 B6R0.4 O=C(O)CCCCl CS-W013545 [1,1,0,0,0,0|1,0,1]=4 317 B6R0.4 O=C(O)\C=C\CBr CS-0020044 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.4 O=C(O)\C=C\CCl CS-0139553 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.5 CCOS(C)(=O)=O CS-W016570 [1,1,0,0,0,0|2,0,0]=4 320 B6R0.6 C(CC)=CCCO CS-W009552 [1,1,0,0,0,0|0,0,2]=4 321 B6R0.6 C(CO)=CCCC CS-W016652 [1,1,0,0,0,0|0,0,2]=4 322 B6R0.6 CCC\C=C\C=O CS-0099263 [1,1,0,0,0,0|0,0,0]=2 323 B6R0.6 CCO\C=C\C#N CS-0015294 [1,1,0,0,0,0|1,0,1]=4 324 B6R0.6 CC\C=C/CCO CS-W011323 [1,1,0,0,0,0|0,0,2]=4 325 B6R0.6 C\C=C\C=C\CO CS-W018413 [1,1,0,0,0,0|0,0,2]=4 326 B6R0.9 CCN(C=O)CC CS-W009551 [1,1,0,0,0,0|1,0,0]=3 327 B6R0.9 CCN(CC)N=O CS-0128799 [1,1,0,0,0,0|2,0,0]=4 328 B8R0.2 COC(=O)C(C)C(=O)O CS-0072824 [0,2,0,0,0,0|1,0,1]=4 329 B8R0.2 COC(=O)C(C)C(C)=O CS-M0095 [0,2,0,0,0,0|1,0,1]=4 330 B8R0.5 CCC\C(C)=C\C(=O)O CS-0072967 [0,2,0,0,0,0|0,0,1]=3 331 B8R0.5 CCOC(=O)CC(=O)O CS-0016016 [0,2,0,0,0,0|2,0,0]=4 332 B8R0.5 CCOC(=O)CC(C)=O CS-0016216 [0,2,0,0,0,0|2,0,0]=4 333 B8R0.5 CCOC(=O)CC(N)=O CS-W002214 [0,2,0,0,0,0|2,0,0]=4 334 B8R0.23 C=C(CC(C)C)C(C)=O CS-0132337 [0,2,0,0,0,0|0,0,2]=4 335 B8R0.23 CC(=O)C(=O)OC(C)C CS-M0668 [0,2,0,0,0,0|2,0,0]=4 336 B8R0.23 CC(C)CC(=O)C(=O)O CS-W013438 [0,2,0,0,0,0|1,0,1]=4 337 B8R0.23 C\C(=C/C(=O)O)C(=O)O CS-0007669 [0,2,0,0,0,0|1,0,1]=4 338 B8R0.23 C\C(=C\C(=O)O)C(=O)O CS-0059543 [0,2,0,0,0,0|1,0,1]=4 339 B8R0.1 CCOC(=O)CNC=O CS-0201687 [0,2,0,0,0,0|2,0,0]=4 340 B8R0.1 CCOC(=O)\C=C\C=O CS-W020184 [0,2,0,0,0,0|2,0,0]=4 341 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [0,2,0,0,0,0|2,0,0]=4 342 B8R0.3 CCOC(=O)C(=O)NN CS-W018576 [0,2,0,0,0,0|2,0,0]=4 343 B8R0.8 CCCCC(=O)C(=O)O CS-0069654 [0,2,0,0,0,0|1,0,1]=4 344 B8R0.9 CN(C)CCN(C)C=O CS-0172412 [0,2,0,0,0,0|1,0,1]=4 345 B8R0.12 CCCC(C)(C)C(=O)O CS-0205424 [0,2,0,0,0,0|0,0,2]=4 346 B8R0.15 CCCC(CC)C(=O)O CS-0152450 [0,2,0,0,0,0|0,0,2]=4 347 B8R0.15 CCCC(CN)C(=O)O CS-0259298 [0,2,0,0,0,0|0,0,2]=4 348 B8R0.22 CCCN(C=O)CCC CS-W011117 [0,2,0,0,0,0|1,0,1]=4 349 B6R1.2 CC1=CNN=C1 CS-4303 [1,0,0,1,0,0|2,0,0]=4 350 B6R1.2 N=C1CCCS1 CS-W016514 [1,0,0,1,0,0|2,0,0]=4 351 B6R1.2 NC1=NCCC1 CS-B0123 [1,0,0,1,0,0|2,0,0]=4 352 B6R1.2 O=C1C=CCC1 CS-W011359 [1,0,0,1,0,0|0,0,1]=3 353 B6R1.2 O=C1C=CCO1 CS-W008270 [1,0,0,1,0,0|1,0,1]=4 354 B6R1.2 O=C1C=CCS1 CS-0348812 [1,0,0,1,0,0|1,0,1]=4 355 B6R1.2 O=C1CCCN1 CS-0197058 [1,0,0,1,0,0|1,0,0]=3 356 B6R1.2 O=C1CCNC1 CS-W005267 [1,0,0,1,0,0|1,0,1]=4 357 B6R1.2 O=C1CCNN1 CS-W001151 [1,0,0,1,0,0|2,0,0]=4 358 B6R1.2 O=C1CCOC1 CS-D1574 [1,0,0,1,0,0|1,0,1]=4 359 B6R1.2 O=C1CCSC1 CS-W011310 [1,0,0,1,0,0|1,0,1]=4 360 B6R1.2 O=C1NCCN1 CS-0075560 [1,0,0,1,0,0|2,0,0]=4 361 B6R1.2 O=C1NCCO1 CS-W007548 [1,0,0,1,0,0|2,0,0]=4 362 B6R1.2 O=C1NCCS1 CS-W023026 [1,0,0,1,0,0|2,0,0]=4 363 B6R1.2 O=S1CCCC1 CS-0207394 [1,0,0,1,0,0|1,0,1]=4 364 B6R1.2 SC1=NCCC1 CS-W013703 [1,0,0,1,0,0|1,1,0]=4 365 B6R1.5 CN1CC(=O)C1 CS-0052428 [1,0,0,1,0,0|1,0,1]=4 366 B6R1.5 NC1CC(=O)C1 CS-W005321 [1,0,0,1,0,0|1,0,1]=4 367 B6R1.5 O=C1CC(O)C1 CS-0051337 [1,0,0,1,0,0|1,0,1]=4 368 B6R1.8 C=C1CC1CO CS-0054284 [1,0,0,1,0,0|1,0,1]=4 369 B6R1.11 NC(=O)C1CC1 CS-W011356 [1,0,0,1,0,0|1,0,1]=4 370 B6R1.11 O=C(O)C1CC1 CS-W018339 [1,0,0,1,0,0|1,0,1]=4 371 B6R1.1 C1=CCNCC1 CS-W021272 [1,0,0,1,0,0|1,0,1]=4 372 B6R1.4 CC1OCC1=O CS-0051833 [1,0,0,1,0,0|1,0,1]=4 373 B8R1.1 CC1=CC(C=O)=CS1 CS-0054199 [0,1,0,1,0,0|0,0,2]=4 374 B8R1.1 CC1=CC(C=O)=NN1 CS-W005538 [0,1,0,1,0,0|1,0,1]=4 375 B8R1.1 CC1=CC(C=O)=NO1 CS-0085287 [0,1,0,1,0,0|1,0,1]=4 376 B8R1.1 CC1=CC=C(C=O)N1 CS-0038064 [0,1,0,1,0,0|1,0,1]=4 377 B8R1.1 CC1=CC=C(C=O)O1 CS-W020103 [0,1,0,1,0,0|1,0,1]=4 378 B8R1.1 CC1=CC=C(C=O)S1 CS-W018539 [0,1,0,1,0,0|1,0,1]=4 379 B8R1.1 CC1=CC=C(CN)O1 CS-0188122 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.1 CC1=CC=C(CN)S1 CS-0035951 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.1 CC1=CC=C(CN)S1 CS-0036528 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.1 CC1=CC=C(CO)O1 CS-0128749 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.1 CC1=CC=C(CO)S1 CS-0152994 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.1 CC1=CN=C(CN)O1 CS-0172772 [0,1,0,1,0,0|2,0,0]=4 385 B8R1.1 CC1=CN=C(CO)S1 CS-W019147 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.1 CC1=CSC(C=O)=C1 CS-0135491 [0,1,0,1,0,0|0,0,2]=4 387 B8R1.1 CC1=CSC(C=O)=N1 CS-W011145 [0,1,0,1,0,0|1,0,1]=4 388 B8R1.1 CC1=CSC(CN)=C1 CS-0626196 [0,1,0,1,0,0|0,1,1]=4 389 B8R1.1 CC1=CSC(CN)=N1 CS-0022222 [0,1,0,1,0,0|1,1,0]=4 390 B8R1.1 CC1=CSC(CO)=N1 CS-0109629 [0,1,0,1,0,0|1,1,0]=4 391 B8R1.1 CC1=NC(C=O)=CO1 CS-W008275 [0,1,0,1,0,0|1,0,1]=4 392 B8R1.1 CC1=NC(C=O)=CS1 CS-W003295 [0,1,0,1,0,0|1,0,1]=4 393 B8R1.1 CC1=NC=C(C=O)N1 CS-0186659 [0,1,0,1,0,0|1,0,1]=4 394 B8R1.1 CC1=NC=C(C=O)O1 CS-W021727 [0,1,0,1,0,0|1,0,1]=4 395 B8R1.1 CC1=NC=C(C=O)S1 CS-W019857 [0,1,0,1,0,0|1,0,1]=4 396 B8R1.1 CCC1=CC=C(Br)S1 CS-0187787 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.1 CCC1=NC(C)=CS1 CS-W013479 [0,1,0,1,0,0|0,1,0]=3 398 B8R1.1 CCC1=NC=C(C)N1 CS-W011276 [0,1,0,1,0,0|1,0,0]=3 399 B8R1.1 CCN1C=C(Br)C=N1 CS-W003481 [0,1,0,1,0,0|2,0,0]=4 400 B8R1.1 CCN1C=C(N)C=N1 CS-0052571 [0,1,0,1,0,0|2,0,0]=4 401 B8R1.1 CCN1C=C(O)C=N1 CS-0135586 [0,1,0,1,0,0|2,0,0]=4 402 B8R1.1 CCN1C=CC(C)=N1 CS-0206355 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.1 CCN1C=C[N+](C)=C1 CS-0152009 [0,1,0,1,0,0|2,0,0]=4 404 B8R1.1 CCN1C=C[N+](C)=C1 CS-0592407 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.1 CCN1C=C[N+](C)=C1 CS-0832100 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.1 CCN1C=C[N+](C)=C1 CS-W009370 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.1 CCN1C=C[N+](C)=C1 CS-W014527 [0,1,0,1,0,0|2,0,0]=4 408 B8R1.1 CCN1C=C[N+](C)=C1 CS-W015215 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.1 CCN1C=C[N+](C)=C1 CS-W015854 [0,1,0,1,0,0|2,0,0]=4 410 B8R1.1 CCN1C=C[N+](C)=C1 CS-W016763 [0,1,0,1,0,0|2,0,0]=4 411 B8R1.1 CC[N+]1=CN(C)C=C1 CS-W010781 [0,1,0,1,0,0|2,0,0]=4 412 B8R1.1 CC[N+]1=CN(C)C=C1 CS-W010787 [0,1,0,1,0,0|2,0,0]=4 413 B8R1.1 CC[N+]1=CN(C)C=C1 CS-W012510 [0,1,0,1,0,0|2,0,0]=4 414 B8R1.1 CC[N+]1=CN(C)C=C1 CS-W012876 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.1 CC[N+]1=CN(C)C=C1 CS-W015316 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.1 CC[N+]1=CN(C)C=C1 CS-W015661 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.1 CC[N+]1=CN(C)C=C1 CS-W016350 [0,1,0,1,0,0|2,0,0]=4 418 B8R1.1 CN1C=C(C=O)C=N1 CS-W019871 [0,1,0,1,0,0|1,0,1]=4 419 B8R1.1 CN1C=C(C=O)N=N1 CS-0106610 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.1 CN1C=C(CBr)C=N1 CS-0051173 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.1 CN1C=C(CCl)C=N1 CS-0603009 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.1 CN1C=C(CN)C=N1 CS-0045012 [0,1,0,1,0,0|2,0,0]=4 423 B8R1.1 CN1C=C(CN)C=N1 CS-0053646 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.1 CN1C=C(CN)C=N1 CS-W020720 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.1 CN1C=C(CO)C=N1 CS-W004779 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.1 CN1C=CC(C=O)=C1 CS-0116718 [0,1,0,1,0,0|0,0,2]=4 427 B8R1.1 CN1C=CC(C=O)=N1 CS-W004820 [0,1,0,1,0,0|1,0,1]=4 428 B8R1.1 CN1C=NC(C=O)=C1 CS-0052470 [0,1,0,1,0,0|1,0,1]=4 429 B8R1.1 CN1C=NC(C=O)=N1 CS-0148810 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [0,1,0,1,0,0|0,0,1]=3 431 B8R1.4 CC1=CC(=O)NN=C1 CS-W000548 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.4 CC1=CC(C)=NC=N1 CS-W001988 [0,1,0,1,0,0|1,0,1]=4 433 B8R1.4 CC1=CN=CC(=O)N1 CS-W003559 [0,1,0,1,0,0|1,0,1]=4 434 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [0,1,0,1,0,0|1,0,1]=4 435 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [0,1,0,1,0,0|0,0,2]=4 437 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [0,1,0,1,0,0|0,0,2]=4 438 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [0,1,0,1,0,0|0,0,2]=4 440 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [0,1,0,1,0,0|1,0,1]=4 441 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [0,1,0,1,0,0|1,0,1]=4 442 B8R1.4 O=C1C=C(Cl)CCC1 CS-0180958 [0,1,0,1,0,0|1,0,1]=4 443 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,1,0,1,0,0|1,0,1]=4 444 B8R1.4 O=C1CCCC(=O)N1 CS-W023103 [0,1,0,1,0,0|1,0,1]=4 445 B8R1.4 O=C1CCNC(=O)N1 CS-W013642 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.18 CC1=CC(=O)C(C)O1 CS-W011269 [0,1,0,1,0,0|1,0,0]=3 447 B8R1.18 CC1=CC(=O)OC1=O CS-0007668 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.18 CC1=CC(O)OC1=O CS-0139161 [0,1,0,1,0,0|1,0,0]=3 449 B8R1.18 CC1=CN(C)C(=O)N1 CS-0119775 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.18 CC1=CN(C)N=C1Br CS-0108532 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.18 CC1=CN(C)N=C1I CS-0186829 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.18 CC1=CN(C)N=C1N CS-0055102 [0,1,0,1,0,0|2,0,0]=4 453 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [0,1,0,1,0,0|1,0,1]=4 454 B8R1.18 CC1NC(=O)NC1=O CS-0084851 [0,1,0,1,0,0|2,0,0]=4 455 B8R1.18 CN1CC(N)CC1=O CS-0051054 [0,1,0,1,0,0|1,0,1]=4 456 B8R1.18 CN1CC(N)CC1=O CS-0075445 [0,1,0,1,0,0|1,0,1]=4 457 B8R1.2 C#CC1=CCCCC1 CS-0186341 [0,1,0,1,0,0|1,0,1]=4 458 B8R1.2 N#CC1=CCCCC1 CS-0155409 [0,1,0,1,0,0|1,0,1]=4 459 B8R1.2 N#CC1=CCOCC1 CS-0051592 [0,1,0,1,0,0|1,0,1]=4 460 B8R1.2 O=CC1=CCCOC1 CS-W005965 [0,1,0,1,0,0|0,0,0]=2 461 B8R1.2 O=CC1CCNCC1 CS-0171609 [0,1,0,1,0,0|0,0,2]=4 462 B8R1.2 O=CC1CCOCC1 CS-D1228 [0,1,0,1,0,0|0,0,2]=4 463 B8R1.2 O=CC1CCSCC1 CS-0199595 [0,1,0,1,0,0|0,0,2]=4 464 B8R1.2 O=CN1CCCCC1 CS-W016610 [0,1,0,1,0,0|1,0,1]=4 465 B8R1.2 O=CN1CCNCC1 CS-W016606 [0,1,0,1,0,0|1,0,1]=4 466 B8R1.2 O=CN1CCOCC1 CS-W016603 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.3 CC1=CC=[N+](C)C=C1 CS-0613480 [0,1,0,1,0,0|1,0,1]=4 468 B8R1.3 CC1=CN=C(C)C=N1 CS-W019957 [0,1,0,1,0,0|1,0,1]=4 469 B8R1.3 CC1=CN=C(C)N=C1 CS-0045574 [0,1,0,1,0,0|1,0,1]=4 470 B8R1.5 C=C1CCCNC1=O CS-0312427 [0,1,0,1,0,0|0,0,2]=4 471 B8R1.5 CC1=CC=CNC1=O CS-W013671 [0,1,0,1,0,0|0,0,2]=4 472 B8R1.5 CC1=NC=CNC1=O CS-W016627 [0,1,0,1,0,0|1,0,1]=4 473 B8R1.5 CC1CCCNC1=O CS-0186670 [0,1,0,1,0,0|0,0,2]=4 474 B8R1.5 CC1CNCCC1=O CS-D0046 [0,1,0,1,0,0|0,0,2]=4 475 B8R1.5 CC1CNCCC1=O CS-D0300 [0,1,0,1,0,0|0,0,2]=4 476 B8R1.5 CC1COCCC1=O CS-W003860 [0,1,0,1,0,0|0,0,2]=4 477 B8R1.5 CC1NCCNC1=O CS-0046850 [0,1,0,1,0,0|1,0,1]=4 478 B8R1.5 CN1CCCNC1=O CS-0068150 [0,1,0,1,0,0|1,0,1]=4 479 B8R1.5 CN1CCNCC1=O CS-0052424 [0,1,0,1,0,0|1,0,1]=4 480 B8R1.5 CN1CCNCC1=O CS-D0697 [0,1,0,1,0,0|1,0,1]=4 481 B8R1.5 CN1CCOCC1=O CS-0145226 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.5 C[C@@H]1NCCNC1=O CS-0130514 [0,1,0,1,0,0|1,0,1]=4 483 B8R1.5 C[C@H]1NCCNC1=O CS-0042202 [0,1,0,1,0,0|1,0,1]=4 484 B8R1.5 O=C1CCCCC1=O CS-W007347 [0,1,0,1,0,0|1,0,1]=4 485 B8R1.50 CC1=C(C)C(=O)N=N1 CS-W011280 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.50 CC1=C(C)[N+](C)=CS1 CS-0505139 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.50 CC1=C(O)C(=O)CO1 CS-W013643 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.50 CC1=C(O)COC1=O CS-0085459 [0,1,0,1,0,0|1,0,0]=3 489 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [0,1,0,1,0,0|0,0,1]=3 490 B8R1.50 CC1CCC(=O)C1=O CS-W011271 [0,1,0,1,0,0|1,0,1]=4 491 B8R1.50 CN1C(=O)CCC1=O CS-0151201 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.50 CN1C(=O)CNC1=O CS-0038030 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.50 CN1C(=O)CNC1=S CS-0069106 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.50 CN1C(=O)CSC1=O CS-W021969 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.50 CN1CCC(=O)C1=O CS-0139148 [0,1,0,1,0,0|1,0,1]=4 496 B8R1.50 CN1CCC(N)C1=O CS-0133775 [0,1,0,1,0,0|1,0,1]=4 497 B8R1.50 CN1CCN(C)C1=O CS-W008767 [0,1,0,1,0,0|1,0,1]=4 498 B8R1.50 O=C1CCC(=O)C1Br CS-0036203 [0,1,0,1,0,0|1,0,1]=4 499 B8R1.50 O=C1CCC(=O)N1Br CS-W008781 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.50 O=C1CCC(=O)N1Cl CS-W020129 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.50 O=C1CCC(=O)N1I CS-W008878 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.50 O=C1CCC(=O)N1O CS-W008598 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.50 O=C1OCC(O)=C1Br CS-0093761 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.7 CC(=O)C1=NCCS1 CS-W002515 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [0,1,0,1,0,0|0,0,2]=4 506 B8R1.7 CC(=O)N1CCCC1 CS-0055117 [0,1,0,1,0,0|1,0,1]=4 507 B8R1.7 NC(=O)C1CCCC1 CS-0205277 [0,1,0,1,0,0|0,0,2]=4 508 B8R1.7 NC(=O)C1CCCN1 CS-0450473 [0,1,0,1,0,0|1,0,1]=4 509 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [0,1,0,1,0,0|1,0,1]=4 510 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-D1209 [0,1,0,1,0,0|1,0,1]=4 511 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [0,1,0,1,0,0|1,0,1]=4 512 B8R1.7 NC(=O)[C@H]1CCCN1 CS-W013637 [0,1,0,1,0,0|1,0,1]=4 513 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [0,1,0,1,0,0|0,0,0]=2 514 B8R1.7 O=C(O)C1=CCOC1 CS-0370980 [0,1,0,1,0,0|1,0,0]=3 515 B8R1.7 O=C(O)C1=COCC1 CS-0067218 [0,1,0,1,0,0|1,0,0]=3 516 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [0,1,0,1,0,0|0,0,2]=4 517 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [0,1,0,1,0,0|1,0,1]=4 518 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [0,1,0,1,0,0|1,0,1]=4 519 B8R1.7 O=C(O)C1CCCS1 CS-W000375 [0,1,0,1,0,0|1,0,1]=4 520 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-W019861 [0,1,0,1,0,0|1,0,1]=4 521 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-WAA0253 [0,1,0,1,0,0|1,0,1]=4 522 B8R1.7 O=C(O)[C@@H]1CCCO1 CS-W004117 [0,1,0,1,0,0|1,0,1]=4 523 B8R1.7 O=C(O)[C@H]1CCCN1 CS-W020557 [0,1,0,1,0,0|1,0,1]=4 524 B8R1.7 O=C(O)[C@H]1CCCO1 CS-W005223 [0,1,0,1,0,0|1,0,1]=4 525 B8R1.7 OB(O)C1=CCCC1 CS-W000981 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.19 CC1(C)CCCC1=O CS-0040450 [0,1,0,1,0,0|0,0,2]=4 527 B8R1.23 CC1CC(C(=O)O)C1 CS-W006107 [0,1,0,1,0,0|0,0,2]=4 528 B8R1.54 O=C(O)C(=O)C1CC1 CS-W006124 [0,1,0,1,0,0|1,0,1]=4 529 B8R1.78 CC1(C(=O)O)CCC1 CS-W005411 [0,1,0,1,0,0|0,0,2]=4 530 B8R1.11 C=CN1CCCC1=O CS-W020981 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.11 CC1=C(C=O)NC=C1 CS-0094722 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.11 CC1=C(C=O)SC=C1 CS-0071758 [0,1,0,1,0,0|1,0,1]=4 533 B8R1.11 CC1=C(CN)C=CO1 CS-0216755 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.11 CC1=C(CO)N=CN1 CS-0005784 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.11 CC1=C(CO)N=CN1 CS-0031392 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.11 CC1=CNN=C1CO CS-0102138 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.11 CC1=CSC=C1C=O CS-0050796 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.11 CC1=NNC=C1C=O CS-W019932 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.11 CCC1=C(Br)SC=C1 CS-0106558 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.11 CCC1CCCC1=O CS-0152470 [0,1,0,1,0,0|0,0,2]=4 541 B8R1.11 CCN1C=CN=C1C CS-0094390 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.11 CCN1CCCC1=O CS-W013650 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.11 CN1C=CC=C1C=O CS-W021362 [0,1,0,1,0,0|0,0,2]=4 544 B8R1.11 CN1C=NC=C1C=O CS-W011279 [0,1,0,1,0,0|1,0,1]=4 545 B8R1.11 CN1N=CC=C1C=O CS-W007487 [0,1,0,1,0,0|1,0,1]=4 546 B8R1.11 CN1N=NC=C1C=O CS-0186352 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.11 N#CC1=C(N)CCC1 CS-W002642 [0,1,0,1,0,0|1,0,1]=4 548 B8R1.11 O=C1CCC=C1CO CS-0570228 [0,1,0,1,0,0|0,0,0]=2 549 B8R1.11 O=C1CCCC1CO CS-0136671 [0,1,0,1,0,0|0,0,2]=4 550 B8R1.11 O=CN1CCCC1=O CS-0136637 [0,1,0,1,0,0|1,0,0]=3