0 B13R1.337 CC(=O)NCCOC1=CC=CN=C1 SBB072312 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 SBB080364 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 SBB069090 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 SBB015389 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 SBB111687 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.337 O=C(O)CSCCC1=NC=CC=C1 SBB300316 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.8 CC#CCNCC1=CC=CC=C1 SBB300108 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.8 CCCCCOC1=CC=CC=C1 SBB060062 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.8 CCCCOCC1=CC=CC=C1 SBB061154 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.8 N(CCCC)CC1=CC=CC=C1 SBB006552 [1,0,0,0,0,0|2,0,1]=4 10 B14R1.148 CC(=O)NCCOC1=CC(N)=CC=C1 SBB017881 [0,1,0,0,0,0|2,0,0]=3 11 B14R1.148 CC1=CC=CC(OCCCC(=O)O)=C1 SBB024155 [0,1,0,0,0,0|3,0,0]=4 12 B14R1.148 O=C(O)CCCOC1=CC(F)=CC=C1 SBB010970 [0,1,0,0,0,0|3,0,0]=4 13 B14R1.159 CC1=C(OCCCC(=O)O)C=CC=C1 SBB015479 [0,1,0,0,0,0|3,0,0]=4 14 B14R1.159 O=C(O)CCCOC1=CC=CC=C1F SBB027242 [0,1,0,0,0,0|3,0,0]=4 15 B14R1.420 C\C(Cl)=C/CNC(C)C1=CC=CC=C1 SBB301294 [0,1,0,0,0,0|3,0,0]=4 16 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 SBB007811 [0,1,0,0,0,0|2,0,1]=4 17 B14R1.423 CC(=O)OCC(=O)NC1=CC=CC=C1 SBB000311 [0,1,0,0,0,0|1,0,1]=3 18 B14R1.677 CC(=O)NCCOC1=CC=C(C)C=C1 SBB072487 [0,1,0,0,0,0|2,0,0]=3 19 B14R1.677 CC(=O)NCCOC1=CC=C(Cl)C=C1 SBB072276 [0,1,0,0,0,0|2,0,0]=3 20 B14R1.677 CC(=O)NCCOC1=CC=C(N)C=C1 SBB072945 [0,1,0,0,0,0|2,0,0]=3 21 B14R1.677 CC(=O)NCCOC1=CC=C(O)C=C1 SBB071959 [0,1,0,0,0,0|2,0,0]=3 22 B14R1.677 CC1=CC=C(OCCCC(=O)O)C=C1 SBB015616 [0,1,0,0,0,0|3,0,0]=4 23 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 SBB016923 [0,1,0,0,0,0|2,0,0]=3 24 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 SBB037869 [0,1,0,0,0,0|2,0,0]=3 25 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 SBB008253 [0,1,0,0,0,0|3,0,0]=4 26 B14R1.677 O=C(O)CCSCC1=CC=C(F)C=C1 SBB111688 [0,1,0,0,0,0|3,0,0]=4 27 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 SBB037901 [0,1,0,0,0,0|1,0,0]=2 28 B14R1.716 O=C(CCl)NCCOC1=CC=CC=C1 SBB011286 [0,1,0,0,0,0|2,0,0]=3 29 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 SBB001639 [0,1,0,0,0,0|2,0,1]=4 30 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 SBB058876 [0,1,0,0,0,0|2,0,1]=4 31 B14R1.3331 CS(=O)(=O)NCCOC1=CC=CC=C1 SBB006280 [0,1,0,0,0,0|3,0,0]=4 32 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O SBB064584 [0,1,0,0,0,0|2,0,0]=3 33 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O SBB071425 [0,1,0,0,0,0|3,0,0]=4 34 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O SBB007644 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.2 CC(=O)OC1=COC2=CC=CC=C21 SBB116887 [0,0,0,1,0,0|1,0,2]=4 36 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 SBB056163 [0,0,0,1,0,0|2,0,0]=3 37 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 SBB055826 [0,0,0,1,0,0|1,0,0]=2 38 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 SBB065730 [0,0,0,1,0,0|2,0,0]=3 39 B14R2.31359 O=C(O)C1CCNC2=CC=CC=C21 SBB053292 [0,0,0,1,0,0|3,0,0]=4 40 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 SBB000197 [0,0,0,1,0,0|3,0,0]=4 41 B14R2.31359 O=C(O)C1NCCC2=CC=CC=C21 SBB003410 [0,0,0,1,0,0|3,0,0]=4 42 B12R1.252 CC(=O)CCCC1=CC=CC=N1 SBB018700 [0,0,0,0,1,0|1,0,0]=2 43 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SBB058580 [0,0,0,0,1,0|1,0,0]=2 44 B12R1.252 CC(=O)NCCC1=CC=CC=C1 SBB058213 [0,0,0,0,1,0|1,0,0]=2 45 B12R1.252 CC(=O)OCCC1=CC=CC=C1 SBB061194 [0,0,0,0,1,0|0,0,0]=1 46 B12R1.252 CC(=O)\C=N\NC1=CC=CC=C1 SBB056716 [0,0,0,0,1,0|2,0,1]=4 47 B12R1.252 CC(C)NCCC1=CC=CC=C1 SBB080102 [0,0,0,0,1,0|2,0,1]=4 48 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [0,0,0,0,1,0|1,0,1]=3 49 B12R1.252 N=C(N)NCCC1=CC=CC=C1 SBB102430 [0,0,0,0,1,0|3,0,0]=4 50 B12R1.252 NC(=O)CCCC1=CC=CC=C1 SBB051450 [0,0,0,0,1,0|1,0,0]=2 51 B12R1.252 NC(=S)NCCC1=CC=CC=C1 SBB017394 [0,0,0,0,1,0|2,1,0]=4 52 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SBB040702 [0,0,0,0,1,0|1,0,0]=2 53 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SBB063195 [0,0,0,0,1,0|2,0,0]=3 54 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [0,0,0,0,1,0|1,0,0]=2 55 B12R1.252 O=C(O)CCCC1=CC=CC=N1 SBB014662 [0,0,0,0,1,0|2,0,0]=3 56 B12R1.252 O=C(O)CCCC1=CC=NC=C1 SBB014669 [0,0,0,0,1,0|2,0,0]=3 57 B12R1.252 O=C(O)CCSC1=CC=CC=C1 SBB049906 [0,0,0,0,1,0|2,0,0]=3 58 B12R1.252 O=C(O)CCSC1=CC=CC=N1 SBB103611 [0,0,0,0,1,0|3,0,0]=4 59 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB003529 [0,0,0,0,1,0|2,0,0]=3 60 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB063075 [0,0,0,0,1,0|2,0,0]=3 61 B12R1.252 O=C(O)COCC1=CC=CC=C1 SBB048109 [0,0,0,0,1,0|2,0,0]=3 62 B12R1.252 O=C(O)CSCC1=CC=CC=C1 SBB042552 [0,0,0,0,1,0|2,0,0]=3 63 B12R1.252 OC(=O)CCOC1=CC=CC=C1 SBB003895 [0,0,0,0,1,0|2,0,0]=3 64 B14R1.422 NC(=O)CCNCCC1=CC=CC=C1 SBB080698 [0,0,0,0,0,1|2,0,0]=3 65 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 SBB071719 [0,0,0,0,0,1|2,0,0]=3 66 B14R1.422 O=C(O)CCSCCC1=CC=NC=C1 SBB048658 [0,0,0,0,0,1|3,0,0]=4 67 B14R1.422 O=C(O)COCCOC1=CC=CC=C1 SBB056594 [0,0,0,0,0,1|2,0,0]=3 68 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [2,0,0,0,0,0|0,0,1]=3 69 B11R1.28 CCCCNC1=CC=CC=C1 SBB058812 [2,0,0,0,0,0|1,0,1]=4 70 B11R1.28 CCCCOC1=CC=CC=C1 SBB060061 [2,0,0,0,0,0|1,0,1]=4 71 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [2,0,0,0,0,0|1,0,1]=4 72 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [2,0,0,0,0,0|1,0,1]=4 73 B11R1.28 CNCCOC1=CC=CC=C1 SBB027283 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.28 COCCSC1=CC=CC=C1 SBB116878 [2,0,0,0,0,0|1,0,0]=3 75 B11R1.28 O=C=NCCC1=CC=CC=C1 SBB048864 [2,0,0,0,0,0|1,0,1]=4 76 B13R1.6 CCOCCOC1=CC(N)=CC=C1 SBB080162 [1,1,0,0,0,0|1,0,1]=4 77 B13R1.9 CCCCCCC1=CC=C(N)C=C1 SBB006538 [1,1,0,0,0,0|1,0,1]=4 78 B13R1.9 CCCCCCC1=CC=C(O)C=C1 SBB059155 [1,1,0,0,0,0|1,0,1]=4 79 B13R1.9 CCOCCOC1=CC=C(N)C=C1 SBB080110 [1,1,0,0,0,0|1,0,1]=4 80 B13R1.28 C=COCCNCC1=CC=CC=C1 SBB010618 [1,1,0,0,0,0|0,0,1]=3 81 B13R1.28 CCCCCCCC1=CC=CC=C1 SBB057142 [1,1,0,0,0,0|1,0,1]=4 82 B13R1.555 CCOCCOC1=CC=CC=C1N SBB080161 [1,1,0,0,0,0|1,0,1]=4 83 B13R1.718 COC(=O)CCCC1=CC=CC=C1 SBB007854 [1,1,0,0,0,0|2,0,0]=4 84 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 SBB071424 [0,1,0,0,1,0|0,0,1]=3 85 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 SBB063952 [0,1,0,0,1,0|0,0,1]=3 86 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 SBB025723 [0,1,0,0,1,0|2,0,0]=4 87 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 SBB057733 [0,1,0,0,1,0|1,0,1]=4 88 B13R1.45 O=C(O)CCC(O)C1=CC=CC=C1 SBB010649 [0,1,0,0,1,0|1,0,0]=3 89 B13R1.149 O=C(O)CCOC1=CC(F)=CC=C1 SBB085423 [0,1,0,0,1,0|2,0,0]=4 90 B13R1.158 CC1=CC=CC=C1OCCC(=O)O SBB085282 [0,1,0,0,1,0|2,0,0]=4 91 B13R1.158 O=C(O)CCOC1=CC=CC=C1F SBB027408 [0,1,0,0,1,0|2,0,0]=4 92 B13R1.348 CC(=O)C\C(C)=N/C1=CC=CC=C1 SBB089069 [0,1,0,0,1,0|1,0,1]=4 93 B13R1.348 N(C(=O)CC(C)=O)C1=CC=CC=C1 SBB003774 [0,1,0,0,1,0|1,0,1]=4 94 B13R1.351 NC(CCC1=CC=CC=N1)C(=O)O SBB014776 [0,1,0,0,1,0|2,0,0]=4 95 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O SBB063155 [0,1,0,0,1,0|1,0,0]=3 96 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O SBB066411 [0,1,0,0,1,0|2,0,0]=4 97 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 SBB065026 [0,1,0,0,1,0|1,0,0]=3 98 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 SBB103625 [0,1,0,0,1,0|2,0,0]=4 99 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 SBB069098 [0,1,0,0,1,0|1,0,0]=3 100 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 SBB099678 [0,1,0,0,1,0|1,0,0]=3 101 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SBB010216 [0,1,0,0,1,0|1,0,0]=3 102 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SBB010232 [0,1,0,0,1,0|1,0,0]=3 103 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 SBB052746 [0,1,0,0,1,0|1,0,0]=3 104 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 SBB008249 [0,1,0,0,1,0|2,0,0]=4 105 B13R1.513 O=C(O)CSCC1=CC=C(Cl)C=C1 SBB049904 [0,1,0,0,1,0|2,0,0]=4 106 B13R1.513 O=C(O)CSCC1=CC=C(F)C=C1 SBB047481 [0,1,0,0,1,0|2,0,0]=4 107 B13R1.3523 O=S(=O)(Cl)CCCC1=CC=CC=C1 SBB302743 [0,1,0,0,1,0|2,0,0]=4 108 B15R1.871 O=C(O)CCCCOC1=CC=C(Cl)C=C1 SBB011586 [0,1,0,0,0,1|2,0,0]=4 109 B15R1.5919 CC(=O)NNC(=O)CCC1=CC=CC=C1 SBB113129 [0,1,0,0,0,1|1,0,1]=4 110 B15R1.123 CC(=O)NCCOC1=C(C)C(C)=CC=C1 SBB072297 [0,2,0,0,0,0|2,0,0]=4 111 B15R1.888 CC(=O)NCCOC1=CC=C(Cl)C(C)=C1 SBB072263 [0,2,0,0,0,0|2,0,0]=4 112 B15R1.84 COC1=CC=CC=C1OCCNC(C)=O SBB012411 [0,2,0,0,0,0|2,0,0]=4 113 B15R1.256 CC(=O)OCC(=O)NC1=CC=CC=C1C SBB000465 [0,2,0,0,0,0|1,0,1]=4 114 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 SBB007684 [0,2,0,0,0,0|1,0,1]=4 115 B15R1.959 [C@@H](C)(NCCC(=O)NC)C1=CC=CC=C1 SBB005544 [0,2,0,0,0,0|2,0,0]=4 116 B15R1.4 CC(=O)NCCOC1=CC=C(C#N)C=C1 SBB072027 [0,2,0,0,0,0|2,0,0]=4 117 B15R1.4 CCC1=CC=C(OCCNC(C)=O)C=C1 SBB072881 [0,2,0,0,0,0|2,0,0]=4 118 B15R1.4 COC1=CC=C(OCCNC(C)=O)C=C1 SBB072757 [0,2,0,0,0,0|2,0,0]=4 119 B15R1.26 COC(=O)CCCOC1=CC=C(Cl)C=C1 SBB008251 [0,2,0,0,0,0|2,0,0]=4 120 B15R1.26 O=C(CCl)NCCOC1=CC=C(Cl)C=C1 SBB072480 [0,2,0,0,0,0|2,0,0]=4 121 B15R1.741 CC(CCC1=CC=CC=C1)NC(=O)CCl SBB027781 [0,2,0,0,0,0|1,0,0]=3 122 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 SBB053722 [0,2,0,0,0,0|2,0,0]=4 123 B15R1.778 N#CCC(=O)NCCOC1=CC=CC=C1 SBB071809 [0,2,0,0,0,0|2,0,0]=4 124 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 SBB060081 [1,0,0,1,0,0|1,0,1]=4 125 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 SBB010187 [1,0,0,1,0,0|2,0,0]=4 126 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 SBB014484 [1,0,0,1,0,0|1,0,1]=4 127 B13R2.3 C1=CC=C(C2CCOCO2)C=C1 SBB068827 [1,0,0,1,0,0|0,0,2]=4 128 B13R2.3 C1=CCC(C2=CC=NC=C2)CC1 SBB057816 [1,0,0,1,0,0|2,0,0]=4 129 B13R2.15 O=C1OCCN1C2=CC=CC=C2 SBB008146 [1,0,0,1,0,0|1,0,0]=3 130 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 SBB051629 [0,0,0,1,1,0|0,0,2]=4 131 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 SBB000141 [0,0,0,1,1,0|2,0,0]=4 132 B13R2.10 O=C1CSC(C2=CC=CC=C2)N1 SBB076217 [0,0,0,1,1,0|2,0,0]=4 133 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 SBB087533 [0,0,0,1,1,0|1,0,0]=3 134 B13R2.163 O=C1CCNC2=C(C=CC=C2)N1 SBB045898 [0,0,0,1,1,0|2,0,0]=4 135 B13R2.423 O=C(Cl)[C@@H]1CC1C2=CC=CC=C2 SBB000222 [0,0,0,1,1,0|1,0,0]=3 136 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 SBB003944 [0,0,0,1,1,0|1,0,0]=3 137 B15R2.63 OC(=O)[C@@H]1[C@H](C2=CC=CC=C2)CCN1 SBB027322 [0,0,0,1,0,1|2,0,0]=4 138 B15R2.68122 O=C(O)CC1NCCC2=C1C=CC=C2 SBB003633 [0,0,0,1,0,1|2,0,0]=4 139 B15R2.384 CC(=O)N1CCCC2=CC(Br)=CC=C21 SBB010026 [0,1,0,1,0,0|1,0,0]=3 140 B15R2.1237 CC(=O)N1CCNC2=CC=CC=C2C1 SBB056319 [0,1,0,1,0,0|2,0,0]=4 141 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 SBB055054 [0,1,0,1,0,0|2,0,0]=4 142 B15R2.7268 CC(=O)N1CCCC2=C1C=C(N)C=C2 SBB070320 [0,1,0,1,0,0|1,0,0]=3 143 B15R2.79765 COC(=O)C1OCCC2=CC=CC=C21 SBB018652 [0,1,0,1,0,0|2,0,0]=4 144 B15R2.79765 O=C(CCl)N1CCCC2=CC=CC=C21 SBB011236 [0,1,0,1,0,0|1,0,0]=3 145 B15R2.27 O=C1CC(=O)CC(C2=CC=CC=C2)C1 SBB061998 [0,1,0,1,0,0|1,0,1]=4 146 B15R2.11 CS(=O)(=O)NC1CCC2=C1C=CC=C2 SBB056392 [0,1,0,1,0,0|2,0,0]=4 147 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SBB015101 [0,0,0,0,2,0|0,0,2]=4 148 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [0,0,0,0,2,0|0,0,0]=2 149 B11R1.91 CC(=O)NNC1=CC=CC=C1 SBB058004 [0,0,0,0,2,0|2,0,0]=4 150 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [0,0,0,0,2,0|0,0,0]=2 151 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 SBB057853 [0,0,0,0,2,0|1,0,0]=3 152 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [0,0,0,0,2,0|1,0,1]=4 153 B11R1.91 CC(N)CCC1=CC=CC=C1 SBB059846 [0,0,0,0,2,0|1,0,1]=4 154 B11R1.91 NC(=O)CCC1=CC=CC=C1 SBB058119 [0,0,0,0,2,0|1,0,0]=3 155 B11R1.91 NC(=O)COC1=CC=CC=C1 SBB028296 [0,0,0,0,2,0|2,0,0]=4 156 B11R1.91 NC(=O)NCC1=CC=CC=C1 SBB058548 [0,0,0,0,2,0|2,0,0]=4 157 B11R1.91 NC(=O)OCC1=CC=CC=C1 SBB058407 [0,0,0,0,2,0|1,0,0]=3 158 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SBB058859 [0,0,0,0,2,0|1,0,0]=3 159 B11R1.91 O=C(Cl)COC1=CC=CC=C1 SBB040630 [0,0,0,0,2,0|2,0,0]=4 160 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 SBB063193 [0,0,0,0,2,0|1,0,0]=3 161 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [0,0,0,0,2,0|1,0,0]=3 162 B11R1.91 O=C(O)CCC1=CC=CC=N1 SBB018634 [0,0,0,0,2,0|2,0,0]=4 163 B11R1.91 O=C(O)CCC1=CC=NC=C1 SBB012865 [0,0,0,0,2,0|2,0,0]=4 164 B11R1.91 O=C(O)CCC1=CN=CC=C1 SBB028468 [0,0,0,0,2,0|2,0,0]=4 165 B11R1.91 O=C(O)CNC1=CC=CC=C1 SBB028637 [0,0,0,0,2,0|2,0,0]=4 166 B11R1.91 O=C(O)COC1=CC=CC=C1 SBB040522 [0,0,0,0,2,0|2,0,0]=4 167 B11R1.91 O=C(O)CSC1=CC=CC=C1 SBB001712 [0,0,0,0,2,0|2,0,0]=4 168 B11R1.172 CC(=O)CSCC1=CC=CO1 SBB116836 [0,0,0,0,2,0|2,0,0]=4