0 B8R1.50 CC1=C(Br)C(=O)NN1 C77007 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.50 CC1=C(Br)C(Br)=NN1 AC6424 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.50 CC1=C(Br)COC1=O W19136 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.50 CC1=C(Cl)C(Br)=NN1 D80975 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.50 CC1=C(I)C(I)=NN1 C76114 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.50 CC1=CSC(C)=C1N AT16742 [0,0,0,0,0,0|2,1,1]=4 6 B8R1.50 CC1=NNC(=O)[C@H]1Br W18036 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.50 CC1=NNC(C)=C1N 51248 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.50 CC1=NNC(Cl)=C1N P12022 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.50 CC1=NNC(O)=C1C S10439 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.50 CC1=NOC(C)=C1O AT19674 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.50 CC1=NOC(N)=C1Cl 70875 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.50 CN1C(=O)CCC1=O D70368 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.50 NN1C(=O)CCC1=O T70071 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.2 C=C1CCC(=O)O1 T71516 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.2 CC1=CC(=O)CO1 Y10351 [1,0,0,0,0,0|0,0,0]=1 16 B7R1.2 CC1=CNC(=O)N1 O11257 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.2 CC1=CNC(=O)S1 C90545 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.2 CC1=CSC(Br)=C1 C15930 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.2 CC1=CSC(C)=C1 O10605 [1,0,0,0,0,0|1,1,1]=4 20 B7R1.2 CC1=NC(=O)NN1 79696 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.2 NC1=CC(=O)CC1 90005 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.2 NC1=CC(=O)NO1 D73552 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.2 NC1=NC(=O)CO1 C73385 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.2 O=C1C=C(Br)CC1 W19329 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.2 O=C1C=C(Br)CO1 W10959 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.2 O=C1C=C(I)CC1 A12694 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.2 O=C1C=C(O)CO1 F21287 [1,0,0,0,0,0|1,0,1]=3 31 B7R1.2 O=C1CNC(=O)C1 76756 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.2 O=C1COC(=O)N1 F20602 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.4 CC1=C(Br)C=NO1 F19689 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.4 CC1=C(C)NC=C1 F20873 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.4 CC1=C(N)C=NO1 D82481 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.4 CC1=C(N)ON=C1 C74807 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.4 CC1=CCOC1=O T72100 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.4 CC1=CON=C1N 72247 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.4 CC1=CSC=C1N P10841 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.4 CC1=NOC=C1N O11036 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.4 CC1=NSC=C1Br 20343 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.4 CC1=NSC=C1N 75880 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.4 O=C1OCC[C@@H]1O F14291 [1,0,0,0,0,0|1,0,2]=4 44 B9R1.37 CC1=C(Br)C(=O)OC1=O D86617 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.37 CC1=C(O)C(=O)C[C@@H]1C D93041 [0,1,0,0,0,0|1,0,0]=2 46 B9R1.37 CC1=NN(C)C(C)=C1O F50510 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.37 O=C1O[C@H](O)C(Br)=C1Br 31315 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.132 CC1=CNC(C=O)=C1C 39169 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.132 CC1=CSC(C=O)=C1Cl W10338 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.132 COC1=C(Br)C(=O)CC1 P19034 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.10 C=CC(=O)N(C)OC AT20366 [0,0,1,0,0,0|2,0,1]=4 52 B7R0.16 CC(=O)C(N)C(C)=O F17513 [0,0,1,0,0,0|1,0,2]=4 53 B7R0.16 O=C(O)C(O)C(=O)O H10518 [0,0,1,0,0,0|2,0,1]=4 54 B9R1.3 CC1=C(I)C(=O)N=CN1 H10358 [0,0,0,0,0,1|2,0,1]=4 55 B9R1.3 CC1=C(O)C(Br)=NC=C1 C71875 [0,0,0,0,0,1|2,0,1]=4 56 B9R1.3 CC1=C(O)C(Cl)=NC=C1 36409 [0,0,0,0,0,1|2,0,1]=4 57 B9R1.3 CC1=NC=NC(C)=C1O F21170 [0,0,0,0,0,1|2,0,1]=4 58 B9R1.3 O=C1CCCC(O)=C1Cl AC1563 [0,0,0,0,0,1|3,0,0]=4 59 B9R1.69 CC1=C(N)NC(=O)N=C1 26036 [0,0,0,0,0,1|3,0,0]=4 60 B9R1.69 CC1=C(O)C=C(I)C=C1 D76555 [0,0,0,0,0,1|2,0,1]=4 61 B9R1.69 CC1=CC(=O)NN=C1C P11942 [0,0,0,0,0,1|3,0,0]=4 62 B9R1.69 CC1=CC(C)=NNC1=O P10153 [0,0,0,0,0,1|3,0,0]=4 63 B9R1.69 CC1=CC(O)=C(Br)C=N1 C72039 [0,0,0,0,0,1|2,0,1]=4 64 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C77105 [0,0,0,0,0,1|3,0,0]=4 65 B9R1.69 CC1=CN=C(F)C(O)=C1 79064 [0,0,0,0,0,1|3,0,0]=4 66 B9R1.69 CC1=CN=C(N)N=C1O F19190 [0,0,0,0,0,1|3,0,0]=4 67 B9R1.69 CC1=NC(O)=C(Br)C=N1 25539 [0,0,0,0,0,1|2,0,1]=4 68 B9R1.69 CC1=NC(O)=C(Cl)C=N1 I11731 [0,0,0,0,0,1|2,0,1]=4 69 B9R1.69 CC1=NC(O)=C(F)C=N1 25762 [0,0,0,0,0,1|2,0,1]=4 70 B9R1.69 CC1=NC=C(Br)C=C1O 24970 [0,0,0,0,0,1|2,0,1]=4 71 B9R1.69 CC1=NNC(=O)C(Br)=C1 22926 [0,0,0,0,0,1|3,0,0]=4 72 B9R1.69 CC1=NNC(=O)C(N)=C1 P10094 [0,0,0,0,0,1|3,0,0]=4 73 B9R1.69 CC1=NNC(=O)NC1=O T71473 [0,0,0,0,0,1|2,0,1]=4 74 B9R1.69 CN1C=CC(=O)C(O)=C1 O11011 [0,0,0,0,0,1|2,0,1]=4 75 B9R1.69 CN1CCC(=O)CC1=O P13026 [0,0,0,0,0,1|2,0,1]=4 76 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,0,0,0,0,1|1,0,2]=4 77 B6R0.1 CCNC(=O)CO 79517 [1,0,1,0,0,0|1,0,1]=4 78 B6R0.1 COC(=O)\C=C\I C10406 [1,0,1,0,0,0|2,0,0]=4 79 B6R0.4 CC(=O)CCC=O P17049 [1,0,1,0,0,0|1,0,1]=4 80 B6R0.4 CCOCC(=O)O D73862 [1,0,1,0,0,0|0,0,1]=3 81 B6R0.3 CC[C@H](C)C(=O)O 88659 [1,0,1,0,0,0|1,0,1]=4 82 B6R0.3 C[C@H](ON)C(=O)O AT14512 [1,0,1,0,0,0|1,0,1]=4 83 B6R0.3 C[C@H](ON)C(=O)O Y13476 [1,0,1,0,0,0|1,0,1]=4 84 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [1,0,1,0,0,0|0,0,1]=3 85 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [1,0,1,0,0,0|0,0,1]=3 86 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [1,0,1,0,0,0|0,0,1]=3 87 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [1,0,1,0,0,0|0,0,1]=3 88 B6R1.2 CC1=CC=CN1 23756 [2,0,0,0,0,0|1,0,1]=4 89 B6R1.2 CC1=CNC=C1 59365 [2,0,0,0,0,0|2,0,0]=4 90 B6R1.2 CC1=COC=C1 W18310 [2,0,0,0,0,0|1,0,1]=4 91 B6R1.2 CC1=NOC=C1 35767 [2,0,0,0,0,0|2,0,0]=4 92 B6R1.2 IC1=COCC1 P19286 [2,0,0,0,0,0|1,0,1]=4 93 B6R1.2 NC1=CC=NO1 AB9529 [2,0,0,0,0,0|2,0,0]=4 94 B6R1.2 NC1=CON=C1 F14139 [2,0,0,0,0,0|2,0,0]=4 95 B6R1.2 O=C1C=CCN1 AC1277 [2,0,0,0,0,0|2,0,0]=4 96 B6R1.2 OC1=CNN=C1 76131 [2,0,0,0,0,0|2,0,0]=4 97 B6R1.2 OC1=NOC=C1 W15437 [2,0,0,0,0,0|1,0,1]=4 98 B8R0.18 CC(=O)C(=NO)C(C)=O F17532 [0,1,1,0,0,0|0,0,1]=3 99 B8R1.1 CC1=CC(C=O)=CS1 P15425 [1,1,0,0,0,0|0,1,1]=4 100 B8R1.1 CC1=CC(CBr)=NO1 F30090 [1,1,0,0,0,0|2,0,0]=4 101 B8R1.1 CC1=CC(CCl)=NO1 71171 [1,1,0,0,0,0|2,0,0]=4 102 B8R1.1 CC1=CNC(C=O)=C1 D84258 [1,1,0,0,0,0|2,0,0]=4 103 B8R1.1 CC1=NC(C=O)=NO1 F13848 [1,1,0,0,0,0|2,0,0]=4 104 B8R1.1 CC1=NOC(CBr)=C1 C15689 [1,1,0,0,0,0|2,0,0]=4 105 B8R1.1 CC1=NOC(CN)=C1 20228 [1,1,0,0,0,0|2,0,0]=4 106 B8R1.1 CCC1=CC(N)=NO1 71263 [1,1,0,0,0,0|2,0,0]=4 107 B8R1.1 CCC1=CC(O)=NO1 AC2644 [1,1,0,0,0,0|1,0,1]=4 108 B8R1.1 CNC1=NOC(C)=C1 AT19776 [1,1,0,0,0,0|2,0,0]=4 109 B8R1.1 COC1=CC(=O)CC1 63697 [1,1,0,0,0,0|1,0,0]=3 110 B8R1.1 OCC1=CC(Br)=NO1 69279 [1,1,0,0,0,0|2,0,0]=4 111 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [1,1,0,0,0,0|1,0,0]=3 112 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C75058 [1,1,0,0,0,0|2,0,0]=4 113 B8R1.11 CC1=C(CO)C=CO1 30727 [1,1,0,0,0,0|0,0,1]=3 114 B8R1.11 CC1=C(CO)C=NO1 72237 [1,1,0,0,0,0|1,0,0]=3 115 B8R1.11 CC1=C(CO)N=CO1 AT18595 [1,1,0,0,0,0|1,0,1]=4 116 B8R1.11 CC1=CON=C1C=O W10337 [1,1,0,0,0,0|2,0,0]=4 117 B8R1.11 CC1=CSC=C1CO 57803 [1,1,0,0,0,0|2,0,0]=4 118 B8R1.11 O=C1CCC=C1CO E70389 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.22 CC1=CC(=O)C(Br)=C(C)O1 AT10845 [0,1,0,0,0,1|1,0,1]=4 120 B10R1.118 CC1=NN(C)C(=O)C=C1O AR2711 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.176 CC1=C(O)C=C(C=O)C=C1 W16814 [0,1,0,0,0,1|1,0,1]=4 122 B10R1.187 CC1=NOC(C)=C1CCO A12871 [0,2,0,0,0,0|2,0,0]=4 123 B6R1.4 C[C@@H]1OCC1=O P16003 [1,0,0,0,1,0|0,0,1]=3 124 B6R1.4 C[C@H]1CCC1=O W18267 [1,0,0,0,1,0|1,0,1]=4 125 B6R1.5 CC1CC(=O)C1 P12177 [1,0,0,0,1,0|0,0,2]=4 126 B6R1.5 CN1CC(=O)C1 P15929 [1,0,0,0,1,0|1,0,1]=4 127 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,0,1,0|0,0,2]=4 128 B8R1.4 CC1=CC(=O)OCC1 D93039 [1,0,0,0,0,1|1,0,0]=3 129 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [1,0,0,0,0,1|0,0,2]=4 130 B8R1.4 NC1=CC(=O)COC1 P18321 [1,0,0,0,0,1|1,0,0]=3 131 B8R1.4 O=C1COCC(=O)N1 AR2999 [1,0,0,0,0,1|2,0,0]=4 132 B8R1.4 O=C1[CH-]C(=O)COC1 I11592 [1,0,0,0,0,1|1,0,1]=4