0 B13R1.464 CCOC(=O)C1=C(OC)C=CC=C1 SBB064138 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.77 CCC(=O)C1=CC=CC=C1OC SBB019455 [1,0,0,0,0,0|1,0,0]=2 2 B12R1.77 CNC1=CC=CC=C1C(=O)OC SBB058534 [1,0,0,0,0,0|0,0,0]=1 3 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 SBB064193 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.77 COC(=O)C1=C(CN)C=CC=C1 SBB092824 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.77 COC(=O)C1=CC=CC=C1C#N SBB053726 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.77 COC(=O)C1=CC=CC=C1OC SBB061390 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 SBB040611 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.77 COC1=C(C(=O)NN)C=CC=C1 SBB017611 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.308 CCNC(=O)C1=CC=CC=C1N SBB079897 [1,0,0,0,0,0|1,0,0]=2 10 B12R1.308 CCNC(=O)C1=CC=CN=C1Cl SBB047046 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 SBB064139 [1,0,0,0,0,0|1,0,0]=2 12 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 SBB065272 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.308 CCOC(=O)C1=CC=CC=C1Br SBB065109 [1,0,0,0,0,0|1,0,0]=2 14 B12R1.308 CCOC(=O)C1=CC=CC=C1C SBB064989 [1,0,0,0,0,0|0,0,0]=1 15 B12R1.308 CCOC(=O)C1=CC=CC=C1F SBB064678 [1,0,0,0,0,0|1,0,0]=2 16 B12R1.308 CCOC(=O)C1=CC=CC=C1N SBB064986 [1,0,0,0,0,0|0,0,0]=1 17 B12R1.308 CCOC(=O)C1=CC=CC=C1O SBB058594 [1,0,0,0,0,0|1,0,0]=2 18 B12R1.308 CCOC(=O)C1=CC=CN=C1C SBB053824 [1,0,0,0,0,0|1,0,0]=2 19 B12R1.308 CCOC(=O)C1=CC=NC=C1N SBB053810 [1,0,0,0,0,0|1,0,0]=2 20 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl SBB053818 [1,0,0,0,0,0|2,0,0]=3 21 B14R1.263 CCOC(=O)C1=C(N=C=O)C=CC=C1 SBB048848 [0,1,0,0,0,0|0,0,2]=3 22 B14R1.623 CCNC(=O)C1=C([N+](=O)[O-])C=CC=C1 SBB000327 [0,1,0,0,0,0|2,0,1]=4 23 B14R1.623 CCOC(=O)C1=CC=CC=C1[N+](=O)[O-] SBB058472 [0,1,0,0,0,0|1,0,1]=3 24 B14R2.215 CCN1C(=O)C2=C(C=CC=C2)C1=O SBB089032 [0,0,0,1,0,0|3,0,0]=4 25 B14R2.510 CN1C=C(CCO)C2=CC=CC=C21 SBB301914 [0,0,0,1,0,0|3,0,0]=4 26 B14R2.7150 CCOC1=C2C=CC=CC2=CC=C1 SBB058064 [0,0,0,1,0,0|2,0,1]=4 27 B14R2.7724 CC1CC(=O)C2=C(C=CC=C2)C1=O SBB058530 [0,0,0,1,0,0|3,0,0]=4 28 B14R2.7724 CN1C(=O)CC(=O)C2=C1C=CC=C2 SBB039832 [0,0,0,1,0,0|2,0,1]=4 29 B14R2.7724 CN1C(=O)NC(=O)C2=CC=CC=C21 SBB072489 [0,0,0,1,0,0|2,0,1]=4 30 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 SBB000196 [0,0,0,1,0,0|1,0,1]=3 31 B12R1.316 CCOC(=O)C1=C(CN)C=CO1 SBB013135 [0,0,0,0,1,0|3,0,0]=4 32 B12R1.316 CCOC(=O)C1=CC=NN1CC SBB073843 [0,0,0,0,1,0|3,0,0]=4 33 B14R1.965 CCNC(=S)NC1=C(OC)C=CC=C1 SBB000501 [0,0,0,0,0,1|2,1,0]=4 34 B14R1.965 CSC1=CC=CC=C1NC(=O)CCCl SBB047025 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.41 CCNC1=C(OC)C=CC=C1 SBB080368 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.41 CCOC1=CC=CC=C1C#N SBB063688 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.41 CCOC1=CC=CC=C1C=O SBB040196 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.41 CCOC1=CC=CC=C1CN SBB070035 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.41 CCOC1=CC=CC=C1NN SBB001773 [2,0,0,0,0,0|1,0,0]=3 40 B11R1.53 CCC1=CC=CC=C1C(=O)O SBB052735 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 SBB006591 [2,0,0,0,0,0|0,0,0]=2 42 B11R1.53 CNC1=C(C(N)=O)C=CC=C1 SBB017649 [2,0,0,0,0,0|1,0,0]=3 43 B11R1.53 CNC1=CC=CC=C1[N+](=O)[O-] SBB111711 [2,0,0,0,0,0|1,0,1]=4 44 B11R1.53 CNC1=NC=CC=C1C(=O)O SBB027645 [2,0,0,0,0,0|1,0,0]=3 45 B11R1.53 COC1=CC=CC=C1C(=O)Cl SBB061370 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.53 COC1=CC=CC=C1C(=O)O SBB040527 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.53 COC1=CC=CC=C1C(C)=O SBB040282 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.53 COC1=NC=CC=C1C(=O)O SBB005441 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.53 CSC1=CC=CC=C1C(=O)O SBB071591 [2,0,0,0,0,0|1,0,0]=3 50 B11R1.53 CSC1=NC=CC=C1C(=O)O SBB003868 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.53 N#CC1=C(C(=O)O)C=CC=C1 SBB008461 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.53 NCC1=CC=CC=C1C(=O)O SBB013822 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.53 O=C(O)C1=CC=CC=C1CBr SBB052679 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.53 O=CC1=CC=CC=C1C(=O)O SBB040275 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.222 CC1=CC=CC=C1C(=O)NN SBB028289 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 SBB086854 [2,0,0,0,0,0|1,0,0]=3 57 B11R1.222 CCC(=O)C1=CC=CC=C1O SBB063301 [2,0,0,0,0,0|1,0,0]=3 58 B11R1.222 CCC(C)C1=CC=CC=C1N SBB061726 [2,0,0,0,0,0|1,0,1]=4 59 B11R1.222 CNC(=O)C1=C(C)C=CC=C1 SBB086650 [2,0,0,0,0,0|1,0,0]=3 60 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 SBB017650 [2,0,0,0,0,0|1,0,0]=3 61 B11R1.222 COC(=O)C1=C(C)N=CC=C1 SBB065253 [2,0,0,0,0,0|1,0,0]=3 62 B11R1.222 COC(=O)C1=C(I)C=CC=C1 SBB064152 [2,0,0,0,0,0|1,0,0]=3 63 B11R1.222 COC(=O)C1=C(O)C=NC=C1 SBB086891 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.222 COC(=O)C1=C(S)C=CC=C1 SBB108743 [2,0,0,0,0,0|1,0,0]=3 65 B11R1.222 COC(=O)C1=CC=CC=C1Br SBB065110 [2,0,0,0,0,0|1,0,0]=3 66 B11R1.222 COC(=O)C1=CC=CC=C1C SBB063118 [2,0,0,0,0,0|0,0,0]=2 67 B11R1.222 COC(=O)C1=CC=CC=C1Cl SBB058225 [2,0,0,0,0,0|1,0,0]=3 68 B11R1.222 COC(=O)C1=CC=CC=C1F SBB063605 [2,0,0,0,0,0|1,0,0]=3 69 B11R1.222 COC(=O)C1=CC=CC=C1N SBB059788 [2,0,0,0,0,0|0,0,0]=2 70 B11R1.222 COC(=O)C1=CC=CC=C1O SBB053705 [2,0,0,0,0,0|1,0,0]=3 71 B11R1.222 COC(=O)C1=CC=CN=C1N SBB053869 [2,0,0,0,0,0|1,0,0]=3 72 B11R1.222 COC(=O)C1=CC=CN=C1O SBB053833 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.222 COC(=O)C1=CC=CN=C1S SBB073627 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.222 COC(=O)C1=CC=COC1=O SBB053960 [2,0,0,0,0,0|2,0,0]=4 75 B11R1.222 COC(=O)C1=CC=NC=C1N SBB053801 [2,0,0,0,0,0|1,0,0]=3 76 B11R1.222 COC(=O)C1=CN=CC=C1C SBB053807 [2,0,0,0,0,0|1,0,0]=3 77 B11R1.222 COC(=O)C1=CN=CC=C1Cl SBB053827 [2,0,0,0,0,0|2,0,0]=4 78 B11R1.222 COC(=O)C1=CN=CC=C1N SBB053808 [2,0,0,0,0,0|1,0,0]=3 79 B11R1.222 COC(=O)C1=NC=CC=C1N SBB053823 [2,0,0,0,0,0|1,0,0]=3 80 B11R1.222 COC(=O)C1=NC=CN=C1N SBB004048 [2,0,0,0,0,0|2,0,0]=4 81 B11R1.222 NC1=CC=CC=C1C(=O)NO SBB017324 [2,0,0,0,0,0|2,0,0]=4 82 B11R1.222 NNC(=O)C1=CC=CC=C1N SBB021059 [2,0,0,0,0,0|2,0,0]=4 83 B11R1.222 O=C(CBr)C1=CC=CC=C1F SBB051669 [2,0,0,0,0,0|2,0,0]=4 84 B11R1.17 CCCOC1=CC=CC=C1C SBB060850 [2,0,0,0,0,0|2,0,0]=4 85 B11R1.17 CCCOC1=CC=CC=C1N SBB027936 [2,0,0,0,0,0|2,0,0]=4 86 B11R1.16 CCCC(=O)C1=CC=CC=C1 SBB058761 [2,0,0,0,0,0|1,0,0]=3 87 B11R1.16 CCNC(=O)C1=CC=CC=C1 SBB058216 [2,0,0,0,0,0|1,0,0]=3 88 B11R1.16 CCOC(=O)C1=CC=CC=C1 SBB058595 [2,0,0,0,0,0|0,0,0]=2 89 B11R1.16 CCOC(=O)C1=CC=CN=C1 SBB065600 [2,0,0,0,0,0|1,0,0]=3 90 B11R1.16 CCOC(=O)C1=CC=NC=C1 SBB065225 [2,0,0,0,0,0|1,0,0]=3 91 B11R1.16 CCOC(=O)C1=NC=CC=C1 SBB065219 [2,0,0,0,0,0|1,0,0]=3 92 B11R1.16 O=C(CCCl)C1=CC=CC=C1 SBB063710 [2,0,0,0,0,0|2,0,0]=4 93 B11R1.16 O=C(CCF)C1=CC=CC=C1 SBB063711 [2,0,0,0,0,0|2,0,0]=4 94 B11R1.16 O=C(SCO)C1=CC=CC=C1 SBB088192 [2,0,0,0,0,0|1,1,0]=4 95 B13R1.382 COC(=O)C1=C(N=C=S)C=CC=C1 SBB010050 [1,1,0,0,0,0|0,0,2]=4 96 B13R1.382 COC(=O)C1=CC=CC=C1N=C=O SBB046959 [1,1,0,0,0,0|0,0,2]=4 97 B13R1.547 CCC(=O)C1=C(C(=O)O)C=CC=C1 SBB008184 [1,1,0,0,0,0|2,0,0]=4 98 B13R1.547 COC(=O)C1=C(C(=O)O)C=CC=C1 SBB007828 [1,1,0,0,0,0|2,0,0]=4 99 B13R1.547 COC(=O)C1=CC=CC=C1B(O)O SBB063239 [1,1,0,0,0,0|2,0,0]=4 100 B13R1.2065 COC(=O)C1=C(CBr)C=C(Br)C=C1 SBB068793 [1,1,0,0,0,0|2,0,0]=4 101 B13R1.2065 COC(=O)C1=CC=C(Br)C=C1OC SBB064895 [1,1,0,0,0,0|1,0,0]=3 102 B13R1.2065 COC(=O)C1=CC=C(I)C=C1OC SBB064630 [1,1,0,0,0,0|1,0,0]=3 103 B13R1.2065 COC(=O)C1=CC=C(N)C=C1OC SBB063338 [1,1,0,0,0,0|1,0,0]=3 104 B13R1.2209 COC(=O)C1=C(OC)C=CC(Cl)=C1 SBB056764 [1,1,0,0,0,0|1,0,0]=3 105 B13R1.2209 COC(=O)C1=CC(Br)=CN=C1OC SBB053830 [1,1,0,0,0,0|2,0,0]=4 106 B13R1.2209 COC(=O)C1=CC(N)=CC=C1OC SBB053737 [1,1,0,0,0,0|1,0,0]=3 107 B13R1.2209 COC1=C(C(=O)CBr)C=C(C)C=C1 SBB011834 [1,1,0,0,0,0|2,0,0]=4 108 B13R1.2357 COC(=O)C1=C(F)C=CC=C1OC SBB090145 [1,1,0,0,0,0|1,0,0]=3 109 B13R1.12 CCNC(=O)C1=C(C)C(N)=CC=C1 SBB302834 [1,1,0,0,0,0|1,0,0]=3 110 B13R1.201 CC(C)NC(=O)C1=CC=CC=C1N SBB018376 [1,1,0,0,0,0|1,0,0]=3 111 B13R1.201 CC(C)OC(=O)C1=C(N)C=CC=C1 SBB017701 [1,1,0,0,0,0|0,0,0]=2 112 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1Br SBB099679 [1,1,0,0,0,0|1,0,0]=3 113 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1O SBB065090 [1,1,0,0,0,0|1,0,0]=3 114 B13R1.446 CCOC(=O)C1=C(Cl)N=CC(Cl)=C1 SBB013119 [1,1,0,0,0,0|2,0,0]=4 115 B13R1.446 CCOC(=O)C1=CC(Br)=CC=C1Cl SBB053793 [1,1,0,0,0,0|1,0,0]=3 116 B13R1.446 CCOC(=O)C1=CC(Br)=CC=C1O SBB067765 [1,1,0,0,0,0|1,0,0]=3 117 B13R1.446 CCOC(=O)C1=CC(Cl)=CC=C1Cl SBB057894 [1,1,0,0,0,0|1,0,0]=3 118 B13R1.446 CCOC(=O)C1=CC(I)=CC=C1N SBB064987 [1,1,0,0,0,0|0,0,0]=2 119 B13R1.674 C=CCNC(=O)C1=CC=CC=C1N SBB079880 [1,1,0,0,0,0|1,0,1]=4 120 B13R1.674 CCCNC(=O)C1=CC=CC=C1N SBB079892 [1,1,0,0,0,0|1,0,0]=3 121 B13R1.674 O=C(OCCO)C1=C(O)C=CC=C1 SBB058788 [1,1,0,0,0,0|1,0,0]=3 122 B13R1.1511 CCOC(=O)C1=C(N)N=C(S)N=C1 SBB024243 [1,1,0,0,0,0|2,0,0]=4 123 B13R1.1511 CCOC(=O)C1=C(N)NC(=S)N=C1 SBB012821 [1,1,0,0,0,0|2,0,0]=4 124 B13R1.1511 CCOC(=O)C1=C(O)C=C(O)N=C1 SBB053841 [1,1,0,0,0,0|2,0,0]=4 125 B13R1.1511 CCOC(=O)C1=CC=C(F)C=C1F SBB064610 [1,1,0,0,0,0|1,0,0]=3 126 B13R1.1511 CCOC(=O)C1=CC=C(F)C=C1N SBB053716 [1,1,0,0,0,0|0,0,0]=2 127 B13R1.1511 CCOC(=O)C1=CN=C(Cl)C=C1Cl SBB062779 [1,1,0,0,0,0|2,0,0]=4 128 B13R1.1511 CCOC(=O)C1=CN=C(N)N=C1C SBB053944 [1,1,0,0,0,0|2,0,0]=4 129 B13R1.1511 CCOC(=O)C1=CN=C(N)N=C1N SBB083050 [1,1,0,0,0,0|2,0,0]=4 130 B13R1.1511 CCOC(=O)C1=CN=C(O)N=C1C SBB083048 [1,1,0,0,0,0|2,0,0]=4 131 B13R1.1511 CCOC(=O)C1=CN=C(O)N=C1N SBB083049 [1,1,0,0,0,0|2,0,0]=4 132 B13R1.4453 CCOC(=O)C1=C(C)C=CN=C1C SBB058041 [1,1,0,0,0,0|1,0,0]=3 133 B15R1.1274 CCOC(=O)CC1=C([N+](=O)[O-])C=CC=C1 SBB094174 [0,1,0,0,0,1|1,0,1]=4 134 B15R1.1274 CCOC(=O)NC1=CC=CC=C1C(=O)O SBB043359 [0,1,0,0,0,1|2,0,0]=4 135 B15R1.9725 CCOC(=O)NC1=C(OC)C=C(N)C=C1 SBB072839 [0,1,0,0,0,1|1,0,0]=3 136 B15R1.9231 CCOC(=O)C1=C(OCC)C=C(Cl)N=C1 SBB097502 [0,2,0,0,0,0|2,0,0]=4 137 B15R1.3762 COC1=C(C(=O)NC(C)C)C=C(Cl)C=C1 SBB097207 [0,2,0,0,0,0|2,0,0]=4 138 B15R1.811 CCOC(=O)C1=C(C(F)(F)F)C=CC=C1 SBB095538 [0,2,0,0,0,0|2,0,0]=4 139 B15R1.5509 CC(=O)C1=CC=CN=C1C(=O)OC(C)C SBB053853 [0,2,0,0,0,0|2,0,0]=4 140 B15R1.10569 CCOC(=O)C1=CC=C(F)C=C1B(O)O SBB094568 [0,2,0,0,0,0|2,0,0]=4 141 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SBB060754 [0,0,1,1,0,0|1,0,1]=4 142 B13R1.47 C=C(C(=O)OCC)C1=CC=CC=C1 SBB053701 [0,0,1,1,0,0|1,0,1]=4 143 B13R1.2909 CCOC(=O)C(=O)C1=NC=CN1C SBB010682 [0,0,1,1,0,0|2,0,0]=4 144 B13R2.32 CC1CCC2=CC=CC=C2C1=O SBB067641 [1,0,0,1,0,0|1,0,0]=3 145 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 SBB008494 [1,0,0,1,0,0|1,0,0]=3 146 B13R2.3085 CC1C(=O)C2=CC=CC=C2C1=O SBB087420 [1,0,0,1,0,0|2,0,0]=4 147 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 SBB006835 [1,0,0,1,0,0|1,0,1]=4 148 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 SBB000135 [1,0,0,1,0,0|0,0,2]=4 149 B13R2.328 N1C(=O)OC(=O)C2=C1C=CC=C2 SBB003928 [1,0,0,1,0,0|1,0,1]=4 150 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 SBB069509 [1,0,0,1,0,0|1,0,1]=4 151 B13R2.4857 CC1=CC=CC2=C1C(=O)OC2=O SBB067249 [1,0,0,1,0,0|1,0,1]=4 152 B15R2.73 CCOC(=O)C1=CNC2=C1C=CC=C2 SBB066688 [0,0,0,1,0,1|0,0,1]=3 153 B15R2.73 CCOC(=O)C1=NNC2=C1C=CC=C2 SBB091123 [0,0,0,1,0,1|1,0,0]=3 154 B15R2.201 CCC1=C(C=O)C2=CC=CC=C2N1C SBB010757 [0,1,0,1,0,0|1,0,0]=3 155 B15R2.53147 CC(=O)OC1=CN(C)C2=C1C=CC=C2 SBB113176 [0,1,0,1,0,0|1,0,1]=4 156 B11R1.59 COC(=O)C1=C(OC)C=CS1 SBB053876 [1,0,0,0,1,0|2,0,0]=4 157 B11R1.199 CCOC(=O)C1=C(C)N=CN1 SBB057641 [1,0,0,0,1,0|2,0,0]=4 158 B11R1.199 CCOC(=O)C1=C(C)N=CO1 SBB013591 [1,0,0,0,1,0|2,0,0]=4 159 B11R1.199 CCOC(=O)C1=C(C)OC=N1 SBB087057 [1,0,0,0,1,0|2,0,0]=4 160 B11R1.199 CCOC(=O)C1=C(C)ON=C1 SBB087055 [1,0,0,0,1,0|2,0,0]=4 161 B11R1.199 CCOC(=O)C1=C(N)ON=C1 SBB010372 [1,0,0,0,1,0|2,0,0]=4 162 B11R1.199 CCOC(=O)C1=C(N)SC=C1 SBB017968 [1,0,0,0,1,0|1,0,0]=3 163 B11R1.199 CCOC(=O)C1=CC=NN1C SBB025013 [1,0,0,0,1,0|2,0,0]=4 164 B11R1.199 CCOC(=O)C1=CNN=C1N SBB001936 [1,0,0,0,1,0|2,0,0]=4 165 B11R1.199 CCOC(=O)C1=CSN=C1C SBB088517 [1,0,0,0,1,0|2,0,0]=4 166 B11R1.199 CCOC(=O)C1=NC=CN1C SBB013235 [1,0,0,0,1,0|2,0,0]=4 167 B11R1.199 CCOC(=O)C1=NNC=C1N SBB013514 [1,0,0,0,1,0|2,0,0]=4 168 B15R1.768 CCOC(=O)COC1=CC=CC=C1C#N SBB029679 [0,0,0,0,0,2|2,0,0]=4 169 B15R1.768 CCOC(=O)COC1=CC=CC=C1C=O SBB020092 [0,0,0,0,0,2|2,0,0]=4 170 B15R1.768 CCOC(=O)COC1=CC=CC=C1OC SBB029881 [0,0,0,0,0,2|1,0,0]=3