0 B12R1.252 CC(C)CNCC1=CC=CC=C1 CS-0116902 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.252 CC(O)COCC1=CC=CC=C1 CS-W017858 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.252 CN(C)CCNC1=CC=CC=C1 CS-0252231 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.252 NC(=O)CNCC1=CC=CC=C1 CS-0217488 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.252 NC(=O)COCC1=CC=CC=C1 CS-0186437 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CS-D1686 [0,0,0,0,0,0|0,0,0]=0 6 B12R1.252 O=C(O)CCCC1=CC=NC=C1 CS-0059802 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.252 O=C(O)CCNC1=CC=CC=C1 CS-W021779 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CS-W004102 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS-0015734 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS-W016075 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS-W002601 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CS-0076541 [0,0,0,0,0,0|1,0,0]=1 13 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 CS-0156615 [0,0,0,0,0,0|0,0,2]=2 14 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 CS-0166913 [0,0,0,0,0,0|0,0,2]=2 15 B12R1.252 [C@@H](C)(O)COCC1=CC=CC=C1 CS-W017736 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.252 [C@H](C)(O)COCC1=CC=CC=C1 CS-W017860 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.28 BrCCCCC1=CC=CC=C1 CS-W014977 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.28 BrCCCOC1=CC=CC=C1 CS-0030579 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.28 BrCCOCC1=CC=CC=C1 CS-W007388 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.28 C#CCNCC1=CC=CC=C1 CS-0047035 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.28 C#CCOCC1=CC=CC=C1 CS-W016355 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.28 C=CCNCC1=CC=CC=C1 CS-0132091 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.28 C=CCOCC1=CC=CC=C1 CS-0157968 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.28 CCCCCC1=CC=CC=N1 CS-W018168 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.28 CCCCCC1=CC=NC=C1 CS-0182155 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.28 CCCNCC1=CC=CC=C1 CS-0152067 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.28 ClCCCCC1=CC=CC=C1 CS-0128930 [1,0,0,0,0,0|1,0,1]=3 28 B11R1.28 ClCCOCC1=CC=CC=C1 CS-W017668 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.28 N#CCNCC1=CC=CC=C1 CS-0033827 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.28 N#CCOCC1=CC=CC=C1 CS-0148503 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.28 NCCCOC1=CC=CC=C1 CS-0046980 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.28 NCCNCC1=CC=CC=C1 CS-W010968 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.28 NCCOCC1=CC=CC=C1 CS-W003291 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.28 NCCOCC1=CC=CC=C1 CS-W018620 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.28 NCCSCC1=CC=CC=C1 CS-0270108 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.28 O=CNCCC1=CC=CC=C1 CS-0213371 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.28 OCCC#CC1=CC=CC=C1 CS-0119721 [1,0,0,0,0,0|0,0,3]=4 38 B11R1.28 OCCCCC1=CC=CC=C1 CS-W018137 [1,0,0,0,0,0|0,0,1]=2 39 B11R1.28 OCCCCC1=CC=NC=C1 CS-0028752 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.28 OCCCCC1=CN=CC=C1 CS-0158352 [1,0,0,0,0,0|1,0,1]=3 41 B11R1.28 OCCCOC1=CC=CC=C1 CS-0128791 [1,0,0,0,0,0|1,0,1]=3 42 B11R1.28 OCCNCC1=CC=CC=C1 CS-W018111 [1,0,0,0,0,0|1,0,1]=3 43 B11R1.28 OCCOCC1=CC=CC=C1 CS-W007853 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.28 OCCSCC1=CC=CC=C1 CS-0207458 [1,0,0,0,0,0|1,0,1]=3 45 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 CS-0197291 [0,1,0,0,0,0|0,0,0]=1 46 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CS-W001943 [0,1,0,0,0,0|0,0,1]=2 47 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 CS-W017278 [0,1,0,0,0,0|1,0,1]=3 48 B13R1.45 O=C(O)CNC(=O)C1=CC=CN=C1 CS-0062277 [0,1,0,0,0,0|2,0,1]=4 49 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 CS-W014999 [0,1,0,0,0,0|1,0,1]=3 50 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 CS-0040775 [0,1,0,0,0,0|0,0,3]=4 51 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 CS-0368601 [0,1,0,0,0,0|0,0,3]=4 52 B13R1.149 NC1=CC=CC(CCCC(=O)O)=C1 CS-0269173 [0,1,0,0,0,0|0,0,0]=1 53 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 CS-W021989 [0,1,0,0,0,0|0,0,0]=1 54 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 CS-0005243 [0,1,0,0,0,0|1,0,0]=2 55 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 CS-0156872 [0,1,0,0,0,0|1,0,0]=2 56 B13R1.158 O=C(O)CCCC1=CC=CC=C1Cl CS-0031171 [0,1,0,0,0,0|0,0,0]=1 57 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl CS-0038126 [0,1,0,0,0,0|1,0,0]=2 58 B13R1.158 O=C(O)CCOC1=CC=CC=C1F CS-0117023 [0,1,0,0,0,0|1,0,0]=2 59 B13R1.158 O=C(O)CCSC1=CC=CC=C1F CS-0235089 [0,1,0,0,0,0|1,0,0]=2 60 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 CS-0155067 [0,1,0,0,0,0|1,0,1]=3 61 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 CS-0156332 [0,1,0,0,0,0|0,0,0]=1 62 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 CS-0059946 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 CS-0186132 [0,1,0,0,0,0|0,0,0]=1 64 B13R1.348 O=C(O)CC(=O)OC1=CC=CC=C1 CS-0373249 [0,1,0,0,0,0|1,0,1]=3 65 B13R1.348 [C@@H](N)(CC(=O)O)CC1=CC=CC=C1 CS-W013167 [0,1,0,0,0,0|0,0,0]=1 66 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O CS-M3394 [0,1,0,0,0,0|1,0,0]=2 67 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O CS-M0016 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O CS-M2900 [0,1,0,0,0,0|0,0,0]=1 69 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O CS-0033656 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CS-W019322 [0,1,0,0,0,0|0,0,1]=2 71 B13R1.351 O=C(O)C(=O)\C=C\C1=CC=CC=C1 CS-0235779 [0,1,0,0,0,0|0,0,3]=4 72 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 CS-M0889 [0,1,0,0,0,0|0,0,0]=1 73 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 CS-W021166 [0,1,0,0,0,0|0,0,0]=1 74 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 CS-0030811 [0,1,0,0,0,0|0,0,0]=1 75 B13R1.351 [C@@H](N)(CCC1=CC=CC=C1)C(=O)O CS-W017272 [0,1,0,0,0,0|0,0,0]=1 76 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 CS-W002126 [0,1,0,0,0,0|0,0,0]=1 77 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 CS-W017265 [0,1,0,0,0,0|0,0,0]=1 78 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 CS-0009030 [0,1,0,0,0,0|0,0,0]=1 79 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 CS-0158401 [0,1,0,0,0,0|0,0,0]=1 80 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 CS-0022368 [0,1,0,0,0,0|0,0,0]=1 81 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 CS-0148623 [0,1,0,0,0,0|0,0,0]=1 82 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 CS-W019452 [0,1,0,0,0,0|0,0,0]=1 83 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 CS-W015588 [0,1,0,0,0,0|1,0,0]=2 84 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 CS-0204663 [0,1,0,0,0,0|1,0,0]=2 85 B13R1.718 C=CC(=O)OCCC1=CC=CC=C1 CS-0435398 [0,1,0,0,0,0|2,0,0]=3 86 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CS-D0496 [0,1,0,0,0,0|0,0,0]=1 87 B13R1.718 COC(=O)CCNC1=CC=CC=C1 CS-0150687 [0,1,0,0,0,0|1,0,0]=2 88 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CS-W022790 [0,1,0,0,0,0|1,0,0]=2 89 B13R1.718 COC(=O)COCC1=CC=CC=C1 CS-0136691 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.718 NC(CO)COCC1=CC=CC=C1 CS-0416119 [0,1,0,0,0,0|2,0,1]=4 91 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 CS-0089909 [0,1,0,0,0,0|2,0,1]=4 92 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 CS-0156214 [0,1,0,0,0,0|2,0,1]=4 93 B13R1.718 OCC(O)COCC1=CC=CC=C1 CS-0156147 [0,1,0,0,0,0|1,0,2]=4 94 B13R1.718 [C@@H](N)(CO)COCC1=CC=CC=C1 CS-W017151 [0,1,0,0,0,0|2,0,1]=4 95 B13R1.718 [C@@H](O)(CO)COCC1=CC=CC=C1 CS-W017112 [0,1,0,0,0,0|1,0,2]=4 96 B13R1.718 [C@H](O)(CO)COCC1=CC=CC=C1 CS-W017108 [0,1,0,0,0,0|1,0,2]=4 97 B13R1.3523 CC(C)(O)CNCC1=CC=CC=C1 CS-0154607 [0,1,0,0,0,0|2,0,1]=4 98 B13R1.3523 O=S(=O)([O-])CCC[N+]1=CC=CC=C1 CS-W015553 [0,1,0,0,0,0|2,0,1]=4 99 B13R2.10 CC1COC(C2=CC=CC=C2)O1 CS-W010835 [0,0,0,1,0,0|2,0,1]=4 100 B13R2.10 NC1=NN(C2=CC=CC=C2)CC1 CS-0127236 [0,0,0,1,0,0|3,0,0]=4 101 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS-W018637 [0,0,0,1,0,0|2,0,0]=3 102 B13R2.10 O=C1CC(C2=CN=CC=C2)CN1 CS-0071885 [0,0,0,1,0,0|3,0,0]=4 103 B13R2.10 O=C1CCC(C2=CC=CC=C2)C1 CS-0139334 [0,0,0,1,0,0|1,0,0]=2 104 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 CS-W010860 [0,0,0,1,0,0|2,0,0]=3 105 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)N1 CS-0098324 [0,0,0,1,0,0|1,0,0]=2 106 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 CS-W017933 [0,0,0,1,0,0|1,0,1]=3 107 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS-0039132 [0,0,0,1,0,0|2,0,0]=3 108 B13R2.10 O=C1NC(C2=CC=CC=C2)CS1 CS-0050784 [0,0,0,1,0,0|2,0,0]=3 109 B13R2.10 O=C1NCC(C2=CC=CC=C2)O1 CS-0455553 [0,0,0,1,0,0|1,0,0]=2 110 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 CS-0031471 [0,0,0,1,0,0|2,0,0]=3 111 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 CS-W017924 [0,0,0,1,0,0|2,0,0]=3 112 B13R2.10 O=C1OCC(C2=CC=CC=C2)O1 CS-0697972 [0,0,0,1,0,0|1,0,0]=2 113 B13R2.10 O=C1ON=C(C2=CC=CC=C2)O1 CS-0699002 [0,0,0,1,0,0|2,0,1]=4 114 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 CS-0093692 [0,0,0,1,0,0|2,1,0]=4 115 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 CS-0093691 [0,0,0,1,0,0|2,1,0]=4 116 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 CS-W017256 [0,0,0,1,0,0|2,1,0]=4 117 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 CS-0053184 [0,0,0,1,0,0|2,1,0]=4 118 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 CS-W002713 [0,0,0,1,0,0|2,0,1]=4 119 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 CS-W010870 [0,0,0,1,0,0|2,0,0]=3 120 B13R2.72 CC(=O)N1CCC2=CC=CN=C21 CS-0145217 [0,0,0,1,0,0|3,0,0]=4 121 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 CS-0038171 [0,0,0,1,0,0|2,0,1]=4 122 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 CS-D0682 [0,0,0,1,0,0|1,0,2]=4 123 B13R2.72 O=C(O)C1=COC2=CC=CC=C21 CS-W006213 [0,0,0,1,0,0|1,0,2]=4 124 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 CS-W008166 [0,0,0,1,0,0|1,0,2]=4 125 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 CS-W002518 [0,0,0,1,0,0|2,0,1]=4 126 B13R2.72 O=C(O)C1=NOC2=CC=CC=C21 CS-W005473 [0,0,0,1,0,0|2,0,1]=4 127 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 CS-W018638 [0,0,0,1,0,0|0,0,0]=1 128 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 CS-0139342 [0,0,0,1,0,0|1,0,0]=2 129 B13R2.163 O=C1CC2=CC=CC=C2CCN1 CS-W000444 [0,0,0,1,0,0|2,0,0]=3 130 B13R2.163 O=C1CCCC2=CC=CC=C2N1 CS-D0727 [0,0,0,1,0,0|1,0,0]=2 131 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 CS-W021743 [0,0,0,1,0,0|0,0,0]=1 132 B13R2.423 O=C(O)C1CC1C2=CC=NC=C2 CS-0465634 [0,0,0,1,0,0|1,0,0]=2 133 B13R2.423 O=C(O)C1CC1C2=CN=CC=C2 CS-0196456 [0,0,0,1,0,0|1,0,0]=2 134 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CS-0058721 [0,0,0,1,0,0|0,0,0]=1 135 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CS-W008367 [0,0,0,1,0,0|0,0,0]=1 136 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 CS-0053575 [0,0,0,1,0,0|0,0,0]=1 137 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 CS-0056007 [0,0,0,1,0,0|1,0,0]=2 138 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 CS-0043871 [0,0,0,1,0,0|0,0,0]=1 139 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 CS-W008783 [0,0,0,1,0,0|2,0,1]=4 140 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 CS-B1359 [0,0,0,1,0,0|2,0,1]=4 141 B13R2.3122 O=S1(=O)CCNC2=CC=CC=C21 CS-0242973 [0,0,0,1,0,0|2,0,1]=4 142 B11R1.91 CC(=O)C#CC1=CC=CC=C1 CS-W004450 [0,0,0,0,1,0|1,0,2]=4 143 B11R1.91 CC(=O)CCC1=CC=CC=C1 CS-W016332 [0,0,0,0,1,0|1,0,0]=2 144 B11R1.91 CC(=O)COC1=CC=CC=C1 CS-0066530 [0,0,0,0,1,0|2,0,0]=3 145 B11R1.91 CC(=O)NCC1=CC=CC=C1 CS-0044769 [0,0,0,0,1,0|2,0,0]=3 146 B11R1.91 CC(=O)NNC1=CC=CC=C1 CS-W018141 [0,0,0,0,1,0|3,0,0]=4 147 B11R1.91 CC(=O)OCC1=CC=CC=C1 CS-W018145 [0,0,0,0,1,0|2,0,0]=3 148 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-0031350 [0,0,0,0,1,0|1,0,2]=4 149 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [0,0,0,0,1,0|1,0,2]=4 150 B11R1.91 CC(Br)CCC1=CC=CC=C1 CS-0250579 [0,0,0,0,1,0|2,0,1]=4 151 B11R1.91 CC(N)CCC1=CC=CC=C1 CS-0022291 [0,0,0,0,1,0|2,0,1]=4 152 B11R1.91 CC(O)CCC1=CC=CC=C1 CS-0154052 [0,0,0,0,1,0|1,0,1]=3 153 B11R1.91 C[C@@H](N)CCC1=CC=CC=C1 CS-0029877 [0,0,0,0,1,0|2,0,1]=4 154 B11R1.91 C[C@@H](O)CCC1=CC=CC=C1 CS-0179418 [0,0,0,0,1,0|1,0,1]=3 155 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CS-0179429 [0,0,0,0,1,0|1,0,1]=3 156 B11R1.91 N=C(N)SCC1=CC=CC=C1 CS-W015488 [0,0,0,0,1,0|3,0,0]=4 157 B11R1.91 N=C(O)NCC1=CC=CC=C1 CS-W010969 [0,0,0,0,1,0|2,0,0]=3 158 B11R1.91 NC(=O)C#CC1=CC=CC=C1 CS-0149994 [0,0,0,0,1,0|1,0,2]=4 159 B11R1.91 NC(=O)CCC1=CC=CC=C1 CS-0037177 [0,0,0,0,1,0|1,0,0]=2 160 B11R1.91 NC(=O)COC1=CC=CC=C1 CS-0149937 [0,0,0,0,1,0|2,0,0]=3 161 B11R1.91 NC(=O)OCC1=CC=CC=C1 CS-W004984 [0,0,0,0,1,0|2,0,0]=3 162 B11R1.91 NC(=S)CCC1=CC=CC=C1 CS-0250775 [0,0,0,0,1,0|1,1,0]=3 163 B11R1.91 NC(=S)NCC1=CC=CC=C1 CS-0071596 [0,0,0,0,1,0|2,1,0]=4 164 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS-W007319 [0,0,0,0,1,0|0,0,2]=3 165 B11R1.91 O=C(O)C#CC1=CC=CN=C1 CS-0122143 [0,0,0,0,1,0|1,0,2]=4 166 B11R1.91 O=C(O)CCC1=CC=CC=C1 CS-W019781 [0,0,0,0,1,0|0,0,0]=1 167 B11R1.91 O=C(O)CCC1=CC=CC=N1 CS-0060616 [0,0,0,0,1,0|1,0,0]=2 168 B11R1.91 O=C(O)CCC1=CC=NC=C1 CS-0140245 [0,0,0,0,1,0|1,0,0]=2 169 B11R1.91 O=C(O)CCC1=CN=CC=C1 CS-W018123 [0,0,0,0,1,0|1,0,0]=2 170 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [0,0,0,0,1,0|1,0,0]=2 171 B11R1.91 O=C(O)COC1=CC=CC=C1 CS-0013736 [0,0,0,0,1,0|1,0,0]=2 172 B11R1.91 O=C(O)COC1=CC=CC=N1 CS-W005910 [0,0,0,0,1,0|2,0,0]=3 173 B11R1.91 O=C(O)COC1=CC=NC=C1 CS-0161602 [0,0,0,0,1,0|2,0,0]=3 174 B11R1.91 O=C(O)COC1=CN=CC=C1 CS-0156811 [0,0,0,0,1,0|2,0,0]=3 175 B11R1.91 O=C(O)CSC1=CC=CC=C1 CS-W016037 [0,0,0,0,1,0|1,0,0]=2 176 B11R1.91 O=C(O)CSC1=CC=NC=C1 CS-W016033 [0,0,0,0,1,0|2,0,0]=3 177 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 CS-0009610 [0,0,0,0,1,0|0,0,2]=3 178 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 CS-W020005 [0,0,0,0,1,0|0,0,2]=3 179 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-0031477 [0,0,0,0,1,0|1,0,2]=4 180 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-W018179 [0,0,0,0,1,0|1,0,2]=4 181 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 CS-0132417 [0,0,0,0,1,0|1,0,2]=4 182 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 CS-W021781 [0,0,0,0,1,0|1,0,2]=4 183 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 CS-W021780 [0,0,0,0,1,0|1,0,2]=4 184 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS-W021067 [0,0,0,0,1,0|1,0,1]=3 185 B11R1.91 OB(O)CCC1=CC=CC=C1 CS-W000915 [0,0,0,0,1,0|1,0,1]=3 186 B11R1.172 CC(=O)CSCC1=CC=CO1 CS-0363276 [0,0,0,0,1,0|3,0,0]=4 187 B11R1.172 NC(=O)NCCC1=CC=CS1 CS-0213120 [0,0,0,0,1,0|3,0,0]=4 188 B11R1.172 O=C(O)CCCC1=CC=CS1 CS-W020036 [0,0,0,0,1,0|1,0,0]=2 189 B13R1.337 CC(=O)CCOCC1=CC=CC=C1 CS-0204232 [0,0,0,0,0,1|1,0,0]=2 190 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 CS-0196601 [0,0,0,0,0,1|1,0,0]=2 191 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 CS-W017407 [0,0,0,0,0,1|1,0,2]=4 192 B13R1.337 CN(C)CCNCC1=CC=CC=C1 CS-0214641 [0,0,0,0,0,1|3,0,0]=4 193 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 CS-0074135 [0,0,0,0,0,1|0,0,0]=1 194 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 CS-0246025 [0,0,0,0,0,1|0,0,0]=1 195 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 CS-0067527 [0,0,0,0,0,1|0,0,0]=1 196 B13R1.337 O=C(O)CCSSC1=NC=CC=C1 CS-0105285 [0,0,0,0,0,1|2,0,0]=3 197 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 CS-0166761 [0,0,0,0,0,1|0,0,3]=4 198 B13R1.337 O=C(O)\C=N\OCC1=CC=CC=C1 CS-0161688 [0,0,0,0,0,1|1,0,1]=3 199 B10R1.17 BrCCCC1=CC=CC=C1 CS-0015315 [2,0,0,0,0,0|1,0,0]=3 200 B10R1.17 BrCCOC1=CC=CC=C1 CS-W015572 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.17 BrCCSC1=CC=CC=C1 CS-0206316 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.17 C#CCCC1=CC=CC=C1 CS-0081605 [2,0,0,0,0,0|0,0,2]=4 203 B10R1.17 C=CCNC1=CC=CC=C1 CS-0128263 [2,0,0,0,0,0|1,0,1]=4 204 B10R1.17 C=CCOC1=CC=CC=C1 CS-W013371 [2,0,0,0,0,0|1,0,1]=4 205 B10R1.17 C=CCSC1=CC=CC=C1 CS-W018136 [2,0,0,0,0,0|1,0,1]=4 206 B10R1.17 C=COCC1=CC=CC=C1 CS-0049793 [2,0,0,0,0,0|1,0,1]=4 207 B10R1.17 CCCCC1=CC=NC=C1 CS-0186972 [2,0,0,0,0,0|1,0,1]=4 208 B10R1.17 CCCC[N+]1=CC=CC=C1 CS-W010048 [2,0,0,0,0,0|1,0,1]=4 209 B10R1.17 CCCC[N+]1=CC=CC=C1 CS-W013103 [2,0,0,0,0,0|1,0,1]=4 210 B10R1.17 CCCC[N+]1=CC=CC=C1 CS-W014862 [2,0,0,0,0,0|1,0,1]=4 211 B10R1.17 CCCC[N+]1=CC=CC=C1 CS-W017638 [2,0,0,0,0,0|1,0,1]=4 212 B10R1.17 CCNCC1=CC=CC=C1 CS-W013340 [2,0,0,0,0,0|1,0,1]=4 213 B10R1.17 CCOCC1=CC=CC=C1 CS-W018329 [2,0,0,0,0,0|1,0,1]=4 214 B10R1.17 ClCCCC1=CC=CC=C1 CS-W016261 [2,0,0,0,0,0|1,0,0]=3 215 B10R1.17 ClCCOC1=CC=CC=C1 CS-W017989 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.17 ClCCSC1=CC=CC=C1 CS-M0048 [2,0,0,0,0,0|2,0,0]=4 217 B10R1.17 ClCOCC1=CC=CC=C1 CS-0015122 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.17 ICCCC1=CC=CC=C1 CS-0187748 [2,0,0,0,0,0|1,0,0]=3 219 B10R1.17 NCCCC1=CC=NC=C1 CS-W005333 [2,0,0,0,0,0|2,0,0]=4 220 B10R1.17 NCCCC1=CN=CC=C1 CS-0158399 [2,0,0,0,0,0|2,0,0]=4 221 B10R1.17 NCCCC1=NC=CC=C1 CS-0006435 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.17 NCCNC1=CC=CC=C1 CS-0045385 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.17 NCCOC1=CC=CC=C1 CS-W002257 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.17 O=CC#CC1=CC=CC=C1 CS-W009214 [2,0,0,0,0,0|0,0,2]=4 225 B10R1.17 O=CNCC1=CC=CC=C1 CS-0009966 [2,0,0,0,0,0|1,0,0]=3 226 B10R1.17 O=CNNC1=CC=CC=C1 CS-0243439 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.17 O=COCC1=CC=CC=C1 CS-0128265 [2,0,0,0,0,0|1,0,0]=3 228 B10R1.17 O=C\C=C\C1=CC=CC=C1 CS-0031318 [2,0,0,0,0,0|0,0,2]=4 229 B10R1.17 OCC#CC1=CC=CC=C1 CS-W007420 [2,0,0,0,0,0|0,0,2]=4 230 B10R1.17 OCCCC1=CC=CC=C1 CS-0015960 [2,0,0,0,0,0|0,0,0]=2 231 B10R1.17 OCCCC1=CC=CC=N1 CS-W000430 [2,0,0,0,0,0|1,0,0]=3 232 B10R1.17 OCCNC1=CC=CC=C1 CS-W016519 [2,0,0,0,0,0|1,0,0]=3 233 B10R1.17 OCCOC1=CC=CC=C1 CS-0013737 [2,0,0,0,0,0|1,0,0]=3 234 B10R1.17 OCCSC1=CC=CC=C1 CS-W016268 [2,0,0,0,0,0|1,0,0]=3 235 B10R1.17 OC\C=C\C1=CC=CC=C1 CS-0008356 [2,0,0,0,0,0|0,0,2]=4 236 B10R1.17 OC\C=C\C1=CC=CC=C1 CS-0017737 [2,0,0,0,0,0|0,0,2]=4 237 B12R1.1 CC1=CC=C(CNCCO)C=C1 CS-0233283 [1,1,0,0,0,0|1,0,1]=4 238 B12R1.1 CCCCCC1=CC=C(Br)C=C1 CS-W010418 [1,1,0,0,0,0|1,0,1]=4 239 B12R1.1 CCCCCC1=CC=C(N)C=C1 CS-0159210 [1,1,0,0,0,0|1,0,1]=4 240 B12R1.1 CCCCCC1=CC=C(O)C=C1 CS-W010828 [1,1,0,0,0,0|1,0,1]=4 241 B12R1.1 FC1=CC=C(CCCCCl)C=C1 CS-0042392 [1,1,0,0,0,0|1,0,1]=4 242 B12R1.1 NC1=CC=C(OCCCO)C=C1 CS-0239315 [1,1,0,0,0,0|1,0,1]=4 243 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 CS-0059809 [1,1,0,0,0,0|1,0,1]=4 244 B12R1.1 OCCNCC1=CC=C(F)C=C1 CS-0213398 [1,1,0,0,0,0|1,0,1]=4 245 B12R1.8 BrCCCCCC1=CC=CC=C1 CS-0186084 [1,1,0,0,0,0|1,0,1]=4 246 B12R1.8 BrCCCCOC1=CC=CC=C1 CS-B0148 [1,1,0,0,0,0|1,0,1]=4 247 B12R1.8 BrCCCOCC1=CC=CC=C1 CS-W001590 [1,1,0,0,0,0|1,0,1]=4 248 B12R1.8 C=C=CCOCC1=CC=CC=C1 CS-1014403 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.8 C=C=CCSCC1=CC=CC=C1 CS-1173658 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.8 CCCCCNC1=CC=CC=C1 CS-0152133 [1,1,0,0,0,0|1,0,1]=4 251 B12R1.8 N#CCCOCC1=CC=CC=C1 CS-0156145 [1,1,0,0,0,0|1,0,1]=4 252 B12R1.8 NCCCCCC1=CC=CC=C1 CS-0096226 [1,1,0,0,0,0|1,0,1]=4 253 B12R1.8 NCCCNCC1=CC=CC=C1 CS-W022916 [1,1,0,0,0,0|1,0,1]=4 254 B12R1.8 OCCCC#CC1=CC=CC=C1 CS-0156578 [1,1,0,0,0,0|0,0,2]=4 255 B12R1.8 OCCCNCC1=CC=CC=C1 CS-0067773 [1,1,0,0,0,0|0,0,1]=3 256 B12R1.8 OCCCOCC1=CC=CC=C1 CS-W004789 [1,1,0,0,0,0|0,0,1]=3 257 B12R1.27 CC(CO)NCC1=CC=CC=C1 CS-W000322 [1,1,0,0,0,0|1,0,1]=4 258 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 CS-M1051 [1,1,0,0,0,0|1,0,1]=4 259 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 CS-0035654 [1,1,0,0,0,0|1,0,1]=4 260 B12R1.27 OCC(O)COC1=CC=CC=C1 CS-W017807 [1,1,0,0,0,0|1,0,1]=4 261 B12R1.28 NCCCCC1=CC=CC(Br)=C1 CS-0530533 [1,1,0,0,0,0|1,0,1]=4 262 B12R1.30 CNCCC(O)C1=CC=CC=C1 CS-0010500 [1,1,0,0,0,0|2,0,0]=4 263 B12R1.30 NC(CCCO)C1=CC=CC=C1 CS-0028348 [1,1,0,0,0,0|0,0,1]=3 264 B12R1.30 OCCCC(O)C1=CC=CC=C1 CS-0911446 [1,1,0,0,0,0|0,0,1]=3 265 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS-W023196 [1,1,0,0,0,0|1,0,1]=4 266 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 CS-0431735 [1,1,0,0,0,0|2,0,0]=4 267 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 CS-0669236 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.267 OCCCCC1=CC=CC=C1Br CS-0139680 [1,1,0,0,0,0|0,0,1]=3 269 B12R1.21 C(C(=O)O)=CC1=CC=C(Br)C=C1 CS-W013013 [0,1,0,0,1,0|0,0,2]=4 270 B12R1.21 C(C(=O)O)=CC1=CC=C(C)C=C1 CS-W016115 [0,1,0,0,1,0|0,0,2]=4 271 B12R1.21 C(C(=O)O)=CC1=CC=C(F)C=C1 CS-W010812 [0,1,0,0,1,0|0,0,2]=4 272 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 CS-0155061 [0,1,0,0,1,0|1,0,0]=3 273 B12R1.21 CC(=O)CCC1=CC=C(I)C=C1 CS-0238159 [0,1,0,0,1,0|1,0,0]=3 274 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS-0016855 [0,1,0,0,1,0|1,0,0]=3 275 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 CS-0272162 [0,1,0,0,1,0|2,0,0]=4 276 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 CS-0272163 [0,1,0,0,1,0|2,0,0]=4 277 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 CS-0197491 [0,1,0,0,1,0|2,0,0]=4 278 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 CS-W018356 [0,1,0,0,1,0|0,0,2]=4 279 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 CS-W013244 [0,1,0,0,1,0|0,0,0]=2 280 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 CS-0181793 [0,1,0,0,1,0|1,0,0]=3 281 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS-W019508 [0,1,0,0,1,0|0,0,0]=2 282 B12R1.21 O=C(O)C#CC1=CC=C(Br)C=C1 CS-0308170 [0,1,0,0,1,0|0,0,2]=4 283 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 CS-W006758 [0,1,0,0,1,0|0,0,2]=4 284 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 CS-0122128 [0,1,0,0,1,0|0,0,2]=4 285 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 CS-W019863 [0,1,0,0,1,0|0,0,0]=2 286 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS-W007646 [0,1,0,0,1,0|0,0,0]=2 287 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 CS-0072209 [0,1,0,0,1,0|0,0,0]=2 288 B12R1.21 O=C(O)CCC1=CC=C(F)N=C1 CS-0467331 [0,1,0,0,1,0|1,0,0]=3 289 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS-0157511 [0,1,0,0,1,0|0,0,0]=2 290 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS-W016062 [0,1,0,0,1,0|0,0,0]=2 291 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 CS-0118637 [0,1,0,0,1,0|1,0,0]=3 292 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 CS-0130302 [0,1,0,0,1,0|1,0,0]=3 293 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 CS-0016291 [0,1,0,0,1,0|1,0,0]=3 294 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 CS-0045013 [0,1,0,0,1,0|1,0,0]=3 295 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 CS-0127993 [0,1,0,0,1,0|1,0,0]=3 296 B12R1.21 O=C(O)COC1=NC=C(Br)C=C1 CS-0636693 [0,1,0,0,1,0|2,0,0]=4 297 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 CS-0035436 [0,1,0,0,1,0|1,0,0]=3 298 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 CS-0072683 [0,1,0,0,1,0|1,0,0]=3 299 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS-0015730 [0,1,0,0,1,0|0,0,2]=4 300 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 CS-0088991 [0,1,0,0,1,0|0,0,2]=4 301 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 CS-0516226 [0,1,0,0,1,0|0,0,2]=4 302 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS-8149 [0,1,0,0,1,0|0,0,2]=4 303 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS-W020394 [0,1,0,0,1,0|0,0,2]=4 304 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O CS-W005088 [0,1,0,0,1,0|0,0,1]=3 305 B12R1.43 CC(=O)C(C)OC1=CC=CC=C1 CS-0331501 [0,1,0,0,1,0|2,0,0]=4 306 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O CS-0106156 [0,1,0,0,1,0|0,0,0]=2 307 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O CS-W021018 [0,1,0,0,1,0|1,0,0]=3 308 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O CS-W001011 [0,1,0,0,1,0|0,0,2]=4 309 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W007567 [0,1,0,0,1,0|1,0,0]=3 310 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 CS-0149997 [0,1,0,0,1,0|1,0,0]=3 311 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS-W018529 [0,1,0,0,1,0|0,0,0]=2 312 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CS-2315 [0,1,0,0,1,0|0,0,0]=2 313 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O CS-0041637 [0,1,0,0,1,0|1,0,0]=3 314 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CS-W020009 [0,1,0,0,1,0|0,0,0]=2 315 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O CS-0041636 [0,1,0,0,1,0|1,0,0]=3 316 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O CS-0015951 [0,1,0,0,1,0|1,0,0]=3 317 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CS-W013246 [0,1,0,0,1,0|0,0,1]=3 318 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 CS-0060520 [0,1,0,0,1,0|0,0,0]=2 319 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS-W017878 [0,1,0,0,1,0|0,0,0]=2 320 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CS-W020023 [0,1,0,0,1,0|0,0,0]=2 321 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CS-W020670 [0,1,0,0,1,0|0,0,0]=2 322 B12R1.43 [C@H](Br)(CC1=CC=CC=C1)C(=O)O CS-W012984 [0,1,0,0,1,0|0,0,0]=2 323 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(=N)O CS-W015584 [0,1,0,0,1,0|1,0,0]=3 324 B12R1.43 [C@H](N)(CC1=CC=CC=N1)C(=O)O CS-W005897 [0,1,0,0,1,0|1,0,0]=3 325 B12R1.43 [C@H](N)(CC1=CC=NC=C1)C(=O)O CS-W017864 [0,1,0,0,1,0|1,0,0]=3 326 B12R1.43 [C@H](N)(CC1=CN=CC=C1)C(=O)O CS-W017866 [0,1,0,0,1,0|1,0,0]=3 327 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS-W014323 [0,1,0,0,1,0|1,0,1]=4 328 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 CS-0154001 [0,1,0,0,1,0|2,0,0]=4 329 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 CS-M0683 [0,1,0,0,1,0|2,0,0]=4 330 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 CS-0154089 [0,1,0,0,1,0|2,0,0]=4 331 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CS-W017905 [0,1,0,0,1,0|0,0,0]=2 332 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 CS-0151259 [0,1,0,0,1,0|1,0,0]=3 333 B12R1.107 CN(CC(=O)O)C1=CC=NC=C1 CS-0898817 [0,1,0,0,1,0|2,0,0]=4 334 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 CS-0066979 [0,1,0,0,1,0|0,0,0]=2 335 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 CS-W002039 [0,1,0,0,1,0|0,0,0]=2 336 B12R1.107 NC(CC(=O)O)C1=CC=CC=N1 CS-0483047 [0,1,0,0,1,0|1,0,0]=3 337 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 CS-0019256 [0,1,0,0,1,0|1,0,0]=3 338 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CS-W002743 [0,1,0,0,1,0|0,0,0]=2 339 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CS-0042547 [0,1,0,0,1,0|0,0,0]=2 340 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CS-W002742 [0,1,0,0,1,0|0,0,0]=2 341 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS-W021936 [0,1,0,0,1,0|0,0,0]=2 342 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 CS-0324257 [0,1,0,0,1,0|1,0,1]=4 343 B12R1.125 C(C(=O)O)=CC1=CC=CC=C1Br CS-W014204 [0,1,0,0,1,0|0,0,2]=4 344 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl CS-0254012 [0,1,0,0,1,0|1,0,0]=3 345 B12R1.125 CC(=O)NCC1=CC=CC=C1Br CS-0132479 [0,1,0,0,1,0|2,0,0]=4 346 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 CS-0073823 [0,1,0,0,1,0|1,0,0]=3 347 B12R1.125 CC1=CC=CC=C1C#CC(=O)O CS-0122136 [0,1,0,0,1,0|0,0,2]=4 348 B12R1.125 CC1=CC=CC=C1CCC(=O)O CS-W005547 [0,1,0,0,1,0|0,0,0]=2 349 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O CS-0152965 [0,1,0,0,1,0|0,0,2]=4 350 B12R1.125 NC(=O)CCC1=CC=CC=C1O CS-0149941 [0,1,0,0,1,0|1,0,0]=3 351 B12R1.125 O=C(O)C#CC1=CC=CC=C1F CS-0122139 [0,1,0,0,1,0|0,0,2]=4 352 B12R1.125 O=C(O)CCC1=C(F)C=NC=C1 CS-0566311 [0,1,0,0,1,0|1,0,0]=3 353 B12R1.125 O=C(O)CCC1=CC=CC=C1Br CS-W007510 [0,1,0,0,1,0|0,0,0]=2 354 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl CS-W016978 [0,1,0,0,1,0|0,0,0]=2 355 B12R1.125 O=C(O)CCC1=CC=CC=C1F CS-W007890 [0,1,0,0,1,0|0,0,0]=2 356 B12R1.125 O=C(O)CCC1=CC=CC=C1I CS-0156655 [0,1,0,0,1,0|0,0,0]=2 357 B12R1.125 O=C(O)CCC1=CC=CC=C1O CS-W017874 [0,1,0,0,1,0|0,0,0]=2 358 B12R1.125 O=C(O)CCC1=CC=CN=C1Cl CS-0881792 [0,1,0,0,1,0|1,0,0]=3 359 B12R1.125 O=C(O)CNC1=CC=CC=C1F CS-0118636 [0,1,0,0,1,0|1,0,0]=3 360 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 CS-0072616 [0,1,0,0,1,0|1,0,0]=3 361 B12R1.125 O=C(O)COC1=CC=CC=C1Br CS-0207404 [0,1,0,0,1,0|1,0,0]=3 362 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CS-W016882 [0,1,0,0,1,0|1,0,0]=3 363 B12R1.125 O=C(O)CSC1=CC=CC=C1Cl CS-B1577 [0,1,0,0,1,0|1,0,0]=3 364 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br CS-0063883 [0,1,0,0,1,0|0,0,2]=4 365 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl CS-0076948 [0,1,0,0,1,0|0,0,2]=4 366 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl CS-W017082 [0,1,0,0,1,0|0,0,2]=4 367 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F CS-0076999 [0,1,0,0,1,0|0,0,2]=4 368 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F CS-W014304 [0,1,0,0,1,0|0,0,2]=4 369 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O CS-W013247 [0,1,0,0,1,0|0,0,2]=4 370 B12R1.226 C(C(=O)O)=CC1=CC(O)=CC=C1 CS-W016091 [0,1,0,0,1,0|0,0,2]=4 371 B12R1.226 CC(=O)NCC1=CC(N)=CC=C1 CS-0098160 [0,1,0,0,1,0|2,0,0]=4 372 B12R1.226 CC1=CC(C#CC(=O)O)=CC=C1 CS-0122135 [0,1,0,0,1,0|0,0,2]=4 373 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 CS-W017867 [0,1,0,0,1,0|1,0,0]=3 374 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 CS-M2097 [0,1,0,0,1,0|0,0,0]=2 375 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 CS-M2096 [0,1,0,0,1,0|0,0,2]=4 376 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 CS-W005084 [0,1,0,0,1,0|0,0,0]=2 377 B12R1.226 O=C(O)C#CC1=CC=CC(Br)=C1 CS-0140413 [0,1,0,0,1,0|0,0,2]=4 378 B12R1.226 O=C(O)C#CC1=CC=CC(Cl)=C1 CS-0122131 [0,1,0,0,1,0|0,0,2]=4 379 B12R1.226 O=C(O)C#CC1=CC=CC(F)=C1 CS-0122138 [0,1,0,0,1,0|0,0,2]=4 380 B12R1.226 O=C(O)CCC1=CC(Br)=CN=C1 CS-0684311 [0,1,0,0,1,0|1,0,0]=3 381 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS-W016980 [0,1,0,0,1,0|0,0,0]=2 382 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 CS-W017812 [0,1,0,0,1,0|0,0,0]=2 383 B12R1.226 O=C(O)CCC1=CC(I)=CC=C1 CS-0312964 [0,1,0,0,1,0|0,0,0]=2 384 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 CS-D0633 [0,1,0,0,1,0|0,0,0]=2 385 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 CS-W005255 [0,1,0,0,1,0|0,0,0]=2 386 B12R1.226 O=C(O)CNC1=CC=CC(Cl)=C1 CS-0119729 [0,1,0,0,1,0|1,0,0]=3 387 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 CS-0102086 [0,1,0,0,1,0|1,0,0]=3 388 B12R1.226 O=C(O)COC1=CC=CC(Cl)=C1 CS-W002102 [0,1,0,0,1,0|1,0,0]=3 389 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 CS-W002938 [0,1,0,0,1,0|1,0,0]=3 390 B12R1.226 O=C(O)\C=C\C1=CC(I)=CC=C1 CS-0156901 [0,1,0,0,1,0|0,0,2]=4 391 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 CS-0001475 [0,1,0,0,1,0|0,0,2]=4 392 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 CS-0031419 [0,1,0,0,1,0|0,0,2]=4 393 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 CS-0144932 [0,1,0,0,1,0|0,0,2]=4 394 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 CS-W001956 [0,1,0,0,1,0|0,0,2]=4 395 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 CS-0008965 [0,1,0,0,1,0|1,0,1]=4 396 B14R1.148 O=C(O)CCCOC1=CC(Br)=CC=C1 CS-0307662 [0,1,0,0,0,1|0,0,0]=2 397 B14R1.159 O=C(O)CCNCC1=CC=CC=C1Cl CS-0346099 [0,1,0,0,0,1|0,0,0]=2 398 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 CS-W004848 [0,1,0,0,0,1|0,0,0]=2 399 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 CS-4674 [0,1,0,0,0,1|0,0,1]=3 400 B14R1.423 CC(=O)CCN(C)CC1=CC=CC=C1 CS-0514478 [0,1,0,0,0,1|1,0,0]=3 401 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 CS-W010689 [0,1,0,0,0,1|0,0,1]=3 402 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 CS-W015777 [0,1,0,0,0,1|0,0,1]=3 403 B14R1.677 O=C(O)CCCCC1=CC=C(Br)C=C1 CS-0216437 [0,1,0,0,0,1|0,0,0]=2 404 B14R1.677 O=C(O)CCCCC1=CC=C(I)C=C1 CS-0700589 [0,1,0,0,0,1|0,0,0]=2 405 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 CS-0158393 [0,1,0,0,0,1|0,0,0]=2 406 B14R1.677 O=C(O)CCCOC1=CC=C(Br)C=C1 CS-0059799 [0,1,0,0,0,1|0,0,0]=2 407 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 CS-0158409 [0,1,0,0,0,1|0,0,0]=2 408 B14R1.677 O=C(O)CCNCC1=CC=C(Cl)C=C1 CS-0249351 [0,1,0,0,0,1|0,0,0]=2 409 B14R1.677 O=C(O)CCNCC1=CC=C(Cl)C=C1 CS-0346096 [0,1,0,0,0,1|0,0,0]=2 410 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 CS-0213167 [0,1,0,0,0,1|0,0,0]=2 411 B14R1.716 O=C(CCl)NCCOC1=CC=CC=C1 CS-0225952 [0,1,0,0,0,1|2,0,0]=4 412 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 CS-W015848 [0,1,0,0,0,1|1,0,1]=4 413 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 CS-0071955 [0,1,0,0,0,1|1,0,1]=4 414 B14R1.818 O=C(O)CC(=O)OCC1=CC=CC=C1 CS-0091017 [0,1,0,0,0,1|0,0,1]=3 415 B14R1.3331 O=S(=O)(O)CCCC[N+]1=CC=CC=C1 CS-0528859 [0,1,0,0,0,1|2,0,0]=4 416 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O CS-0127982 [0,1,0,0,0,1|0,0,0]=2 417 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O CS-0041807 [0,1,0,0,0,1|0,0,0]=2 418 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O CS-0005262 [0,1,0,0,0,1|0,0,0]=2 419 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O CS-0109322 [0,1,0,0,0,1|0,0,0]=2 420 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O CS-W010624 [0,1,0,0,0,1|0,0,0]=2 421 B14R1.6449 N[C@H](C\C=C\C1=CC=CC=C1)C(=O)O CS-0156496 [0,1,0,0,0,1|0,0,1]=3 422 B14R1.6449 [C@H](N)(COCC1=CC=CC=C1)C(=O)O CS-W008308 [0,1,0,0,0,1|0,0,0]=2 423 B14R1.6449 [C@H](N)(CSCC1=CC=CC=C1)C(=O)O CS-W015045 [0,1,0,0,0,1|0,0,0]=2 424 B14R1.149 CC1=CC(C(=O)NCC(=O)O)=CC=C1 CS-0137677 [0,2,0,0,0,0|1,0,1]=4 425 B14R1.149 O=C(O)CCC(=O)C1=CC(F)=CC=C1 CS-M0805 [0,2,0,0,0,0|0,0,1]=3 426 B14R1.149 O=C(O)CNC(=O)C1=CC(Cl)=CC=C1 CS-0197301 [0,2,0,0,0,0|1,0,1]=4 427 B14R1.160 CC1=CC=CC=C1C(=O)NCC(=O)O CS-W015776 [0,2,0,0,0,0|1,0,1]=4 428 B14R1.160 NC(=O)OC[C@@H](O)C1=CC=CC=C1Cl CS-0003652 [0,2,0,0,0,0|2,0,0]=4 429 B14R1.160 NC1=C(C(=O)NCC(=O)O)C=CC=C1 CS-0376681 [0,2,0,0,0,0|1,0,1]=4 430 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Cl CS-W014958 [0,2,0,0,0,0|1,0,1]=4 431 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 CS-0067775 [0,2,0,0,0,0|0,0,1]=3 432 B14R1.163 O=C(CNC(=O)C1=CC=CC=C1)O[Na] CS-W015557 [0,2,0,0,0,0|1,0,1]=4 433 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O CS-0137912 [0,2,0,0,0,0|1,0,1]=4 434 B14R1.415 C[C@@H](NC(=O)C1=CC=CC=C1)C(=O)O CS-0117009 [0,2,0,0,0,0|1,0,1]=4 435 B14R1.415 C[C@@H](OC(=O)C1=CC=CC=C1)C(=O)O CS-0119358 [0,2,0,0,0,0|1,0,1]=4 436 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=CC=C1 CS-0145959 [0,2,0,0,0,0|0,0,2]=4 437 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=CC=C1 CS-0215905 [0,2,0,0,0,0|1,0,1]=4 438 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 CS-0128424 [0,2,0,0,0,0|0,0,1]=3 439 B14R1.678 CC1=CC=C(C(=O)NCC(=O)O)C=C1 CS-0137678 [0,2,0,0,0,0|1,0,1]=4 440 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 CS-4816 [0,2,0,0,0,0|1,0,1]=4 441 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 CS-D1185 [0,2,0,0,0,0|0,0,1]=3 442 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 CS-0072389 [0,2,0,0,0,0|0,0,1]=3 443 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 CS-W010603 [0,2,0,0,0,0|0,0,1]=3 444 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Cl)C=C1 CS-0157556 [0,2,0,0,0,0|1,0,1]=4 445 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 CS-0062311 [0,2,0,0,0,0|1,0,1]=4 446 B14R1.813 O=C(O)CCP(=O)(O)C1=CC=CC=C1 CS-0156062 [0,2,0,0,0,0|1,0,0]=3 447 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 CS-0034974 [0,2,0,0,0,0|1,0,0]=3 448 B14R1.813 O=C(O)CNS(=O)(=O)C1=CC=CC=C1 CS-0453500 [0,2,0,0,0,0|2,0,0]=4 449 B14R1.76 COC1=CC(OCCC(=O)O)=CC=C1 CS-0150456 [0,2,0,0,0,0|1,0,0]=3 450 B14R1.5978 CC1=CC(CC(N)CC(=O)O)=CC=C1 CS-0700046 [0,2,0,0,0,0|0,0,0]=2 451 B14R1.837 COC(=O)COCC1=CC=CC=C1F CS-0614979 [0,2,0,0,0,0|1,0,0]=3 452 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O CS-0162360 [0,2,0,0,0,0|0,0,0]=2 453 B14R1.549 CC(=O)N[C@H](CO)CC1=CC=CC=C1 CS-0137204 [0,2,0,0,0,0|2,0,0]=4 454 B14R1.698 CC(CC(=O)O)SC1=CC=C(Cl)C=C1 CS-0587711 [0,2,0,0,0,0|1,0,0]=3 455 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 CS-0157605 [0,2,0,0,0,0|0,0,0]=2 456 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Br)C=C1 CS-0157606 [0,2,0,0,0,0|0,0,0]=2 457 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 CS-0157550 [0,2,0,0,0,0|0,0,0]=2 458 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O CS-0199037 [0,2,0,0,0,0|0,0,0]=2 459 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O CS-0208057 [0,2,0,0,0,0|0,0,0]=2 460 B14R1.756 COC(=O)C(N)CCC1=CC=CC=C1 CS-0084236 [0,2,0,0,0,0|0,0,0]=2 461 B14R1.756 COC(=O)[C@@H](C)OCC1=CC=CC=C1 CS-M3386 [0,2,0,0,0,0|1,0,0]=3 462 B14R1.756 COC(=O)[C@@H](N)CCC1=CC=CC=C1 CS-0210545 [0,2,0,0,0,0|0,0,0]=2 463 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 CS-0144635 [0,2,0,0,0,0|1,0,0]=3 464 B14R1.4194 O=C(O)C(CO)NCC1=CC=CC=C1 CS-0437387 [0,2,0,0,0,0|1,0,0]=3 465 B14R1.4194 O=C(O)[C@@H](CO)NCC1=CC=CC=C1 CS-0043104 [0,2,0,0,0,0|1,0,0]=3 466 B14R1.4194 O=C(O)[C@H](CO)NCC1=CC=CC=C1 CS-0046328 [0,2,0,0,0,0|1,0,0]=3 467 B14R1.6395 CC(C)(SCC1=CC=CC=C1)C(=O)O CS-0134694 [0,2,0,0,0,0|1,0,0]=3 468 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 CS-W022000 [0,2,0,0,0,0|0,0,0]=2 469 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 CS-0373257 [0,2,0,0,0,0|1,0,0]=3 470 B14R1.4 COC1=CC=C(COCC(=O)O)C=C1 CS-W018970 [0,2,0,0,0,0|1,0,0]=3 471 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 CS-0073458 [0,2,0,0,0,0|1,0,0]=3 472 B14R1.4 O=CC1=CC=C(OCCC(=O)O)C=C1 CS-0907446 [0,2,0,0,0,0|1,0,0]=3 473 B14R1.13 COC(=O)CCCC1=CC=C(Br)C=C1 CS-0342438 [0,2,0,0,0,0|0,0,0]=2 474 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 CS-W005992 [0,2,0,0,0,0|0,0,0]=2 475 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 CS-0526537 [0,2,0,0,0,0|2,0,0]=4 476 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 CS-W010703 [0,2,0,0,0,0|0,0,0]=2 477 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 CS-M2454 [0,2,0,0,0,0|2,0,0]=4 478 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS-M0975 [0,2,0,0,0,0|1,0,0]=3 479 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS-W010686 [0,2,0,0,0,0|1,0,0]=3 480 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 CS-0136694 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.255 O=C(O)CCCCC1=CC=CS1 CS-0324015 [0,0,1,1,0,0|1,0,1]=4 482 B12R2.1 O=CN1CCC2=C1C=CC=C2 CS-0136787 [1,0,0,1,0,0|1,0,0]=3 483 B12R2.1 O\N=C1/CCC2=C1C=CC=C2 CS-0036537 [1,0,0,1,0,0|1,0,1]=4 484 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS-W008926 [1,0,0,1,0,0|1,0,1]=4 485 B12R2.2 C1=CC=C(C2CCNC2)C=C1 CS-0046245 [1,0,0,1,0,0|2,0,0]=4 486 B12R2.2 C1=CC=C(C2CCNC2)C=C1 CS-W002828 [1,0,0,1,0,0|2,0,0]=4 487 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 CS-0042556 [1,0,0,1,0,0|1,0,1]=4 488 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 CS-W021168 [1,0,0,1,0,0|1,0,1]=4 489 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 CS-0038202 [1,0,0,1,0,0|2,0,0]=4 490 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 CS-0156600 [1,0,0,1,0,0|1,0,1]=4 491 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 CS-W006442 [1,0,0,1,0,0|1,0,1]=4 492 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 CS-W019085 [1,0,0,1,0,0|2,0,0]=4 493 B12R2.23 O=C1CCC1C2=CC=CC=C2 CS-0051808 [1,0,0,1,0,0|0,0,0]=2 494 B12R2.27 OCC1CC1C2=CC=CC=C2 CS-0156344 [1,0,0,1,0,0|0,0,1]=3 495 B12R2.41 C1=CC=C2NCCCCC2=C1 CS-0149007 [1,0,0,1,0,0|1,0,1]=4 496 B12R2.41 C1=CC=C2NCCCCC2=C1 CS-W005435 [1,0,0,1,0,0|1,0,1]=4 497 B12R2.41 C1=CC=C2OCCCNC2=C1 CS-0139288 [1,0,0,1,0,0|1,0,1]=4 498 B12R2.1081 CC1=NCCC2=CC=CC=C21 CS-0152737 [1,0,0,1,0,0|2,0,0]=4 499 B12R2.1081 NC1CCCC2=C1C=CC=C2 CS-0131597 [1,0,0,1,0,0|1,0,1]=4 500 B12R2.1081 NC1CCCC2=CC=CC=C21 CS-W007739 [1,0,0,1,0,0|1,0,1]=4 501 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 CS-W007717 [1,0,0,1,0,0|1,0,1]=4 502 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 CS-0357434 [1,0,0,1,0,0|1,0,1]=4 503 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 CS-W008303 [1,0,0,1,0,0|1,0,1]=4 504 B12R2.1081 O=C1CCCC2=C1C=CC=C2 CS-0226151 [1,0,0,1,0,0|0,0,0]=2 505 B12R2.1081 O=C1CCCC2=C1C=CC=N2 CS-0006841 [1,0,0,1,0,0|1,0,0]=3 506 B12R2.1081 O=C1CCCC2=C1C=CN=C2 CS-W022523 [1,0,0,1,0,0|1,0,0]=3 507 B12R2.1081 O=C1CCCC2=C1N=CC=C2 CS-D1458 [1,0,0,1,0,0|1,0,0]=3 508 B12R2.1081 O=C1CCCC2=CN=CC=C12 CS-0060783 [1,0,0,1,0,0|1,0,0]=3 509 B12R2.1081 O=C1CCNC2=C1C=CC=C2 CS-W021492 [1,0,0,1,0,0|1,0,0]=3 510 B12R2.1081 O=C1CCNC2=CC=CC=C12 CS-W005292 [1,0,0,1,0,0|1,0,0]=3 511 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS-W007464 [1,0,0,1,0,0|1,0,0]=3 512 B12R2.1081 O=C1CCOC2=CC=CN=C12 CS-B0013 [1,0,0,1,0,0|2,0,0]=4 513 B12R2.1081 O=C1CCSC2=CC=CC=C12 CS-0042375 [1,0,0,1,0,0|1,0,0]=3 514 B12R2.1081 O=C1NCCC2=C1C=CC=C2 CS-W008863 [1,0,0,1,0,0|1,0,0]=3 515 B12R2.1081 O=C1NCCC2=C1N=CC=C2 CS-W019035 [1,0,0,1,0,0|2,0,0]=4 516 B12R2.1081 O=C1OCCC2=C1C=CC=C2 CS-W018632 [1,0,0,1,0,0|1,0,0]=3 517 B12R2.1081 OC1CCCC2=CC=CC=C21 CS-W004317 [1,0,0,1,0,0|0,0,1]=3 518 B12R2.1081 OC1CCCC2=CN=CC=C21 CS-0188491 [1,0,0,1,0,0|1,0,1]=4 519 B12R2.1081 OC1CCOC2=C1C=CC=C2 CS-0074553 [1,0,0,1,0,0|1,0,1]=4 520 B12R2.1081 OC1COCC2=CC=CC=C21 CS-0018991 [1,0,0,1,0,0|1,0,1]=4 521 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 CS-0079970 [1,0,0,1,0,0|0,0,1]=3 522 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 CS-0079961 [1,0,0,1,0,0|0,0,1]=3 523 B12R2.2057 [C@@H]1(COC2=CC=CC=C2)CO1 CS-W018153 [1,0,0,1,0,0|1,0,1]=4 524 B12R2.2057 [C@H]1(COC2=CC=CC=C2)CO1 CS-W018152 [1,0,0,1,0,0|1,0,1]=4 525 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 CS-0054863 [0,0,0,1,1,0|1,0,0]=3 526 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 CS-0309767 [0,0,0,1,1,0|1,0,1]=4 527 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CS-8148 [0,0,0,1,1,0|0,0,2]=4 528 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 CS-0620216 [0,0,0,1,1,0|2,0,0]=4 529 B12R2.24 O=C1CC2=CC=CC=C2CO1 CS-W016337 [0,0,0,1,1,0|2,0,0]=4 530 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 CS-W002108 [0,0,0,1,1,0|1,0,0]=3 531 B12R2.24 O=C1CCC2=C(C=CC=N2)N1 CS-0149715 [0,0,0,1,1,0|2,0,0]=4 532 B12R2.24 O=C1CCC2=CC=CC=C2C1 CS-B0118 [0,0,0,1,1,0|1,0,0]=3 533 B12R2.24 O=C1CCC2=CC=CC=C2O1 CS-0018237 [0,0,0,1,1,0|0,0,0]=2 534 B12R2.24 O=C1CCC2=CC=CN=C2N1 CS-0052759 [0,0,0,1,1,0|2,0,0]=4 535 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 CS-0046843 [0,0,0,1,1,0|2,0,0]=4 536 B12R2.24 O=C1COC2=CC=CC=C2N1 CS-W002455 [0,0,0,1,1,0|2,0,0]=4 537 B12R2.24 O=C1COC2=CC=CC=C2O1 CS-0062232 [0,0,0,1,1,0|1,0,0]=3 538 B12R2.24 O=C1CSC2=CC=CC=C2N1 CS-0085251 [0,0,0,1,1,0|2,0,0]=4 539 B12R2.24 O=C1NC2=CC=CC=C2CO1 CS-0145262 [0,0,0,1,1,0|2,0,0]=4 540 B12R2.24 OC1CCC2=CC=CC=C2C1 CS-W004310 [0,0,0,1,1,0|1,0,1]=4 541 B12R2.2403 CC1(O)CCC2=CC=CC=C21 CS-0047056 [0,0,0,1,1,0|1,0,1]=4 542 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 CS-W018188 [0,0,0,1,1,0|0,0,0]=2 543 B14R2.2 CC(=O)OC1CCC2=C1N=CC=C2 CS-0028380 [0,0,0,1,0,1|2,0,0]=4 544 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 CS-6287 [0,0,0,1,0,1|0,0,2]=4 545 B14R2.2 O=C(O)CC1=COC2=CC=CC=C12 CS-W023059 [0,0,0,1,0,1|0,0,2]=4 546 B14R2.2 O=C(O)CC1=CSC2=CC=CC=C12 CS-0108787 [0,0,0,1,0,1|0,0,2]=4 547 B14R2.2 O=C(O)CC1=NNC2=CC=CC=C21 CS-0043717 [0,0,0,1,0,1|1,0,1]=4 548 B14R2.2 O=C(O)CC1=NOC2=CC=CC=C21 CS-W017376 [0,0,0,1,0,1|1,0,1]=4 549 B14R2.2 O=C(O)CN1C=CC2=CC=CC=C21 CS-W005380 [0,0,0,1,0,1|0,0,2]=4 550 B14R2.2 O=C(O)CN1C=NC2=C1C=CC=C2 CS-0045375 [0,0,0,1,0,1|1,0,1]=4 551 B14R2.2 O=C(O)CN1N=CC2=CC=CC=C21 CS-0465189 [0,0,0,1,0,1|1,0,1]=4 552 B14R2.2 O=C(O)CN1N=NC2=CC=CC=C21 CS-0060599 [0,0,0,1,0,1|2,0,0]=4 553 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 CS-W001967 [0,0,0,1,0,1|1,0,0]=3 554 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS-0452270 [0,0,0,1,0,1|1,0,0]=3 555 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 CS-D1593 [0,0,0,1,0,1|1,0,0]=3 556 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 CS-W007664 [0,0,0,1,0,1|1,0,0]=3 557 B14R2.19 OC1CCN(CC2=CC=CC=C2)C1 CS-W002070 [0,0,0,1,0,1|1,0,1]=4 558 B14R2.19 O[C@@H]1CCN(CC2=CC=CC=C2)C1 CS-W001279 [0,0,0,1,0,1|1,0,1]=4 559 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 CS-W010677 [0,0,0,1,0,1|1,1,0]=4 560 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 CS-W015151 [0,0,0,1,0,1|1,1,0]=4 561 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 CS-W010678 [0,0,0,1,0,1|1,1,0]=4 562 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 CS-W015150 [0,0,0,1,0,1|1,1,0]=4 563 B14R2.19 [C@H]1(O)CCN(CC2=CC=CC=C2)C1 CS-W017360 [0,0,0,1,0,1|1,0,1]=4 564 B14R2.21 CC1CNCC(C2=CC=CC=C2)O1 CS-0283374 [0,0,0,1,0,1|1,0,1]=4 565 B14R2.21 O=C1CCCC(C2=CC=CC=C2)C1 CS-0341801 [0,0,0,1,0,1|1,0,0]=3 566 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 CS-W021744 [0,0,0,1,0,1|1,0,0]=3 567 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 CS-W003896 [0,0,0,1,0,1|1,0,0]=3 568 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 CS-D1768 [0,0,0,1,0,1|1,0,0]=3 569 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 CS-0062218 [0,0,0,1,0,1|1,0,0]=3 570 B14R2.21 OC1CCOC(C2=CC=CC=C2)C1 CS-0075106 [0,0,0,1,0,1|1,0,1]=4 571 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 CS-W008851 [0,0,0,1,0,1|1,0,0]=3 572 B14R2.436 O[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 CS-0017753 [0,0,0,1,0,1|1,0,1]=4 573 B14R2.436 O[C@H]1C[C@H](OCC2=CC=CC=C2)C1 CS-0047819 [0,0,0,1,0,1|1,0,1]=4 574 B14R2.31359 CC(=O)N1CCCC2=CC=CC=C21 CS-0206919 [0,0,0,1,0,1|1,0,0]=3 575 B14R2.31359 O=C(O)C1CCCC2=CC=CC=C21 CS-W019746 [0,0,0,1,0,1|0,0,0]=2 576 B14R2.31359 O=C(O)C1CCOC2=CC=CC=C21 CS-0183232 [0,0,0,1,0,1|0,0,0]=2 577 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 CS-0005330 [0,0,0,1,0,1|0,0,0]=2 578 B14R2.31359 O=C(O)C1NCCC2=CC=CC=C21 CS-0155920 [0,0,0,1,0,1|0,0,0]=2 579 B14R2.31359 O=C(O)C1OCCC2=C1C=CC=C2 CS-0075082 [0,0,0,1,0,1|0,0,0]=2 580 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 CS-D0737 [0,0,0,1,0,1|0,0,0]=2 581 B14R2.31359 O=C(O)[C@H]1CCCC2=C1C=CC=C2 CS-W020725 [0,0,0,1,0,1|0,0,0]=2 582 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 CS-W008596 [0,1,0,1,0,0|1,0,0]=3 583 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 CS-W005481 [0,1,0,1,0,0|2,0,0]=4 584 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 CS-0016547 [0,1,0,1,0,0|1,0,0]=3 585 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 CS-0442401 [0,1,0,1,0,0|1,0,0]=3 586 B14R2.68 O=C1COC(C2=CC=CC=C2)OC1 CS-0161435 [0,1,0,1,0,0|1,0,0]=3 587 B14R2.68 OC1CCC(C2=CC=CC=C2)CC1 CS-0187050 [0,1,0,1,0,0|1,0,1]=4 588 B14R2.68 O[C@H]1CC[C@@H](C2=CC=CC=C2)CC1 CS-0162549 [0,1,0,1,0,0|1,0,1]=4 589 B14R2.68 O[C@H]1CC[C@H](C2=CC=CC=C2)CC1 CS-0375250 [0,1,0,1,0,0|1,0,1]=4 590 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 CS-M3477 [0,1,0,1,0,0|1,0,1]=4 591 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 CS-W000558 [0,1,0,1,0,0|0,0,0]=2 592 B14R2.25733 CC(=O)N1CC(C)C2=C1C=CC=C2 CS-1229014 [0,1,0,1,0,0|2,0,0]=4 593 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 CS-W008363 [0,1,0,1,0,0|0,0,1]=3 594 B14R2.29285 O=S1(=O)CC[C@@H](O)C2=CC=CC=C21 CS-0263713 [0,1,0,1,0,0|1,0,1]=4 595 B14R2.300 CC(=O)N1CCC2=C1C=CC(Br)=C2 CS-0128914 [0,1,0,1,0,0|2,0,0]=4 596 B14R2.300 CC1=CC2=C(C=C1)C(C(=O)O)CC2 CS-0152922 [0,1,0,1,0,0|0,0,0]=2 597 B14R2.4476 O=C(O)C1CC1C2=CC(Cl)=CC=C2 CS-0156922 [0,1,0,1,0,0|0,0,0]=2 598 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Br)=C2 CS-0030158 [0,1,0,1,0,0|0,0,0]=2 599 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC=CC(F)=C2 CS-0044563 [0,1,0,1,0,0|0,0,0]=2 600 B14R2.7974 O=C1CCCC2=CC(Br)=CC=C2N1 CS-0004298 [0,1,0,1,0,0|1,0,0]=3 601 B14R2.7974 O=C1CCNC2=CC(Br)=CC=C2N1 CS-0135496 [0,1,0,1,0,0|2,0,0]=4 602 B14R2.256 O=C1CC(C2=C(Br)C=CC=C2)CN1 CS-0149869 [0,1,0,1,0,0|2,0,0]=4 603 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 CS-W018701 [0,1,0,1,0,0|0,0,2]=4 604 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 CS-0138270 [0,1,0,1,0,0|0,0,2]=4 605 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 CS-0037477 [0,1,0,1,0,0|1,0,1]=4 606 B14R2.768 O=C(O)CC1CC2=CC=CC=C2C1 CS-W007054 [0,1,0,1,0,0|0,0,0]=2 607 B14R2.781 NC(=O)C1COC2=CC=CC=C2O1 CS-0120030 [0,1,0,1,0,0|2,0,0]=4 608 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 CS-0155993 [0,1,0,1,0,0|1,0,1]=4 609 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 CS-0132186 [0,1,0,1,0,0|1,0,0]=3 610 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 CS-W004987 [0,1,0,1,0,0|1,0,0]=3 611 B14R2.781 O=C(O)C1CC2=CC=CC=C2CO1 CS-0155864 [0,1,0,1,0,0|1,0,0]=3 612 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 CS-0038563 [0,1,0,1,0,0|0,0,0]=2 613 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 CS-0105385 [0,1,0,1,0,0|1,0,0]=3 614 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)C1 CS-0075942 [0,1,0,1,0,0|1,0,0]=3 615 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 CS-W002348 [0,1,0,1,0,0|1,0,0]=3 616 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 CS-D1187 [0,1,0,1,0,0|1,0,0]=3 617 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 CS-2843 [0,1,0,1,0,0|1,0,0]=3 618 B14R2.781 [C@@H]1(C(=O)O)COC2=CC=CC=C2O1 CS-W017222 [0,1,0,1,0,0|1,0,0]=3 619 B14R2.5443 O=C(O)C1CC1C2=C(Cl)C=CC=C2 CS-0052303 [0,1,0,1,0,0|0,0,0]=2 620 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2Br CS-0044564 [0,1,0,1,0,0|0,0,0]=2 621 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2F CS-0047730 [0,1,0,1,0,0|0,0,0]=2 622 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2O CS-0155042 [0,1,0,1,0,0|2,0,0]=4 623 B14R2.28454 O=C1CCCC2=C(F)C=CC=C2N1 CS-B0544 [0,1,0,1,0,0|1,0,0]=3 624 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 CS-0059145 [0,1,0,1,0,0|1,0,0]=3 625 B14R2.598 O=C1NC(=O)C(C2=CC=CC=C2)O1 CS-0089839 [0,1,0,1,0,0|1,0,1]=4 626 B14R2.598 [C@@H]1(C2=CC=CC=C2)OC(O)=N[C@@H]1C CS-W017369 [0,1,0,1,0,0|1,0,1]=4 627 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O CS-0152671 [0,1,0,1,0,0|2,0,0]=4 628 B14R2.741 CN1CCC2=CC=CC=C2CC1=O CS-B0154 [0,1,0,1,0,0|2,0,0]=4 629 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br CS-0004294 [0,1,0,1,0,0|1,0,0]=3 630 B14R2.20 O=C1CC(C2=CC=C(Cl)C=C2)CN1 CS-0186869 [0,1,0,1,0,0|2,0,0]=4 631 B14R2.20 O=C1CC(C2=CC=C(F)C=C2)CN1 CS-0101081 [0,1,0,1,0,0|2,0,0]=4 632 B14R2.20 O=C1CCC(C2=CC=C(Br)C=C2)N1 CS-W022245 [0,1,0,1,0,0|1,0,0]=3 633 B14R2.380 O=C1CCCC2=CC=C(Br)C=C2N1 CS-0004283 [0,1,0,1,0,0|1,0,0]=3 634 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 CS-0035601 [0,1,0,1,0,0|0,0,0]=2 635 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(Br)C=C2 CS-0037163 [0,1,0,1,0,0|0,0,0]=2 636 B14R2.5816 O=C(O)C1CCC2=C1C=C(Br)C=C2 CS-W022454 [0,1,0,1,0,0|0,0,0]=2 637 B14R2.5816 O=C(O)C1CCC2=C1C=C(F)C=C2 CS-0461793 [0,1,0,1,0,0|0,0,0]=2 638 B14R2.95 COC(=O)C1CNC2=C1C=CC=C2 CS-0139705 [0,1,0,1,0,0|1,0,0]=3 639 B10R1.18 C=C(C)CC1=CC=CC=C1 CS-0451102 [0,0,0,0,2,0|2,0,0]=4 640 B10R1.18 CC(=O)CC1=CC=CN=C1 CS-0005378 [0,0,0,0,2,0|2,0,0]=4 641 B10R1.18 CC(=O)CC1=CC=NC=C1 CS-W002401 [0,0,0,0,2,0|2,0,0]=4 642 B10R1.18 CC(=O)CC1=NC=CC=C1 CS-W008575 [0,0,0,0,2,0|2,0,0]=4 643 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 CS-0179386 [0,0,0,0,2,0|2,0,0]=4 644 B10R1.18 CC(=O)SC1=CC=CC=C1 CS-0121075 [0,0,0,0,2,0|2,0,0]=4 645 B10R1.18 CC(O)CC1=CC=CC=C1 CS-0154057 [0,0,0,0,2,0|1,0,1]=4 646 B10R1.18 N=C(N)CC1=CC=CC=C1 CS-W005582 [0,0,0,0,2,0|2,0,0]=4 647 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [0,0,0,0,2,0|1,0,0]=3 648 B10R1.18 NC(=O)CC1=CC=CN=C1 CS-0008758 [0,0,0,0,2,0|2,0,0]=4 649 B10R1.18 NC(=O)CC1=CC=NC=C1 CS-0216228 [0,0,0,0,2,0|2,0,0]=4 650 B10R1.18 NC(=O)NC1=CC=CC=C1 CS-W017760 [0,0,0,0,2,0|2,0,0]=4 651 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [0,0,0,0,2,0|2,0,0]=4 652 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [0,0,0,0,2,0|1,0,0]=3 653 B10R1.18 O=C(O)CC1=CC=CN=C1 CS-W004515 [0,0,0,0,2,0|1,0,0]=3 654 B10R1.18 O=C(O)CC1=CC=NC=C1 CS-0046227 [0,0,0,0,2,0|1,0,0]=3 655 B10R1.18 O=C(O)CC1=CC=NC=C1 CS-W002081 [0,0,0,0,2,0|1,0,0]=3 656 B10R1.18 O=C(O)CC1=CN=CC=C1 CS-W016522 [0,0,0,0,2,0|1,0,0]=3 657 B10R1.18 O=C(O)CC1=CN=CC=N1 CS-W005774 [0,0,0,0,2,0|2,0,0]=4 658 B10R1.18 O=C(O)CC1=CN=CN=C1 CS-W004899 [0,0,0,0,2,0|2,0,0]=4 659 B10R1.18 O=C(O)CC1=NC=CC=N1 CS-0019278 [0,0,0,0,2,0|2,0,0]=4 660 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 CS-0138311 [0,0,0,0,2,0|1,0,1]=4 661 B10R1.66 O=C(O)CCC1=CC=CN1 CS-W021754 [0,0,0,0,2,0|1,0,0]=3 662 B10R1.66 O=C(O)CCC1=CC=CO1 CS-0155529 [0,0,0,0,2,0|1,0,0]=3 663 B10R1.66 O=C(O)CCC1=CC=CS1 CS-0043395 [0,0,0,0,2,0|1,0,0]=3 664 B10R1.66 O=C(O)CCC1=CC=NO1 CS-0313337 [0,0,0,0,2,0|2,0,0]=4 665 B10R1.66 O=C(O)CCC1=CN=CN1 CS-0038274 [0,0,0,0,2,0|2,0,0]=4 666 B10R1.66 O=C(O)CCC1=CN=CS1 CS-0159433 [0,0,0,0,2,0|2,0,0]=4 667 B10R1.66 O=C(O)CCC1=CSC=C1 CS-0043393 [0,0,0,0,2,0|1,0,0]=3 668 B10R1.66 O=C(O)CCC1=NC=CN1 CS-0170811 [0,0,0,0,2,0|2,0,0]=4 669 B10R1.66 O=C(O)CCC1=NC=CN1 CS-0369857 [0,0,0,0,2,0|2,0,0]=4 670 B10R1.66 O=C(O)CCC1=NC=CS1 CS-W002963 [0,0,0,0,2,0|2,0,0]=4 671 B10R1.66 O=C(O)CCN1C=CC=C1 CS-0197479 [0,0,0,0,2,0|1,0,0]=3 672 B10R1.66 O=C(O)CCN1C=CC=N1 CS-W004012 [0,0,0,0,2,0|2,0,0]=4 673 B10R1.66 O=C(O)CCN1C=CN=C1 CS-W002976 [0,0,0,0,2,0|2,0,0]=4 674 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 CS-0181820 [0,0,0,0,0,2|0,0,0]=2 675 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 CS-W022004 [0,0,0,0,0,2|0,0,0]=2