0 B6R0.3 CC(C)C(=O)CCl D94573 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 CCN(C)C(C)=O F19909 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.3 CN(C)C(=O)CN FD21613 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CNC(=O)[C@H](C)N C78177 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CNC(=O)[C@H](C)N C78349 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 CNC(=O)[C@H](C)N FD21069 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.3 COC(=O)N(C)C D93880 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.3 CSC(=S)N(C)C D93298 [0,0,0,0,0,0|1,2,1]=4 8 B5R0.1 C=C(C)CON F31248 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.1 COC[C@H](C)Br 78860 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.1 COC[C@H](C)N 25526 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.1 COC[C@H](C)N D95458 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.1 COC[C@H](C)N W17998 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.1 C\C(I)=C/CI AC8880 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 C\C(I)=C\CI AC3855 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.3 C=C[C@H](C)ON F31247 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.3 CCC(=O)CN S11993 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 CC[PH](=O)CC C77650 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.3 COC(=S)NN Y13479 [1,0,0,0,0,0|2,1,0]=4 19 B5R0.3 COC(=S)SC Y14680 [1,0,0,0,0,0|1,1,0]=3 20 B5R0.5 CC(=O)C(N)=S 93979 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.5 CC(=O)[C@H](C)N D76571 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.5 CC(=S)N(C)C 76921 [1,0,0,0,0,0|1,1,1]=4 23 B5R0.5 C[C@H](N)C(N)=O 25148 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.5 O=C([O-])C(=O)[O-] AC1285 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.5 CCOC(=O)C(=N)N W18562 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.5 CCOC(=O)[C@H](C)O D75729 [0,1,0,0,0,0|1,0,1]=3 27 B7R0.5 CCSC(=O)[C@H](C)N C14826 [0,1,0,0,0,0|1,1,1]=4 28 B7R0.10 C=C(CCl)C(=O)OC 36746 [0,1,0,0,0,0|0,0,0]=1 29 B7R0.10 C=CC(=O)N(C)OC AT20366 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [0,1,0,0,0,0|1,0,1]=3 31 B7R0.10 CC[C@H](O)C(=O)OC 98375 [0,1,0,0,0,0|1,0,1]=3 32 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [0,1,0,0,0,0|0,0,2]=3 33 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [0,1,0,0,0,0|1,0,1]=3 34 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [0,1,0,0,0,0|0,0,2]=3 35 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [0,1,0,0,0,0|1,0,1]=3 36 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [0,1,0,0,0,0|1,0,1]=3 37 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [0,1,0,0,0,0|1,0,1]=3 38 B7R0.10 COC(=O)[C@@H](O)CN D97235 [0,1,0,0,0,0|1,0,1]=3 39 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [0,1,0,0,0,0|1,0,1]=3 40 B7R1.4 BrC1=C(Br)CCC1 79351 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.4 CC1=C(Br)C=NO1 F19689 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.4 CC1=C(C)NC=C1 F20873 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.4 CC1=C(N)C=NO1 D82481 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.4 CC1=C(N)ON=C1 C74807 [0,0,0,1,0,0|2,0,0]=3 45 B7R1.4 CC1=CCOC1=O T72100 [0,0,0,1,0,0|0,0,0]=1 46 B7R1.4 CC1=CNN=C1N 52526 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.4 CC1=CON=C1N 72247 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.4 CC1=CSC=C1N P10841 [0,0,0,1,0,0|3,0,0]=4 49 B7R1.4 CN1C=CNC1=O F12570 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.4 CN1CCNC1=O 81682 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.4 NN1CCOC1=O S10190 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.4 N[C@H]1CCNC1=O 51276 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.4 N[C@H]1CCNC1=O 51277 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.4 N[C@H]1CCNC1=O 51278 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.4 N[C@H]1CCNC1=O F14678 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.4 N[C@H]1CCSC1=O O10218 [0,0,0,1,0,0|1,1,1]=4 57 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,0,0,1,0,0|1,0,1]=3 59 B7R1.8 CO[C@H]1CCC1=O P17941 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.22 CNC(=O)C1CC1 F14269 [0,0,0,1,0,0|1,0,2]=4 61 B7R0.2 COC(=O)CC(=N)N AC2408 [0,0,0,0,0,1|2,0,0]=3 62 B7R0.2 COC(=O)C[C@H](C)N FD10418 [0,0,0,0,0,1|1,0,1]=3 63 B7R0.2 COC(=O)C[C@H](C)N S11691 [0,0,0,0,0,1|1,0,1]=3 64 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,0,0,0,0,1|2,0,0]=3 65 B4R0.1 C=C[C@H](C)N 81150 [2,0,0,0,0,0|1,0,1]=4 66 B4R0.1 C=C[C@H](C)N C77628 [2,0,0,0,0,0|1,0,1]=4 67 B4R0.1 C=C[C@H](C)N N11410 [2,0,0,0,0,0|1,0,1]=4 68 B4R0.1 C\C=C(\C)Br D93160 [2,0,0,0,0,0|1,0,0]=3 69 B4R0.1 NCC(=O)O A10882 [2,0,0,0,0,0|1,0,1]=4 70 B4R0.1 NCC(=O)O T72551 [2,0,0,0,0,0|1,0,1]=4 71 B4R0.2 C=C\C=C/C T71862 [2,0,0,0,0,0|1,0,0]=3 72 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [1,1,0,0,0,0|2,0,0]=4 75 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.4 C=C(C)CCCBr 71968 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.4 COC=CC(=O)O D97266 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.7 CC(=O)C(C)(C)N 71804 [1,1,0,0,0,0|0,0,2]=4 79 B6R0.7 CC(C)(S)C(=O)O F17054 [1,1,0,0,0,0|0,0,2]=4 80 B8R0.2 COC(=O)C(=O)C(C)C 30685 [0,1,0,0,0,1|0,0,2]=4 81 B8R0.2 COC(=O)[C@@H](C)C(=O)O C74590 [0,1,0,0,0,1|2,0,0]=4 82 B8R0.2 COC(=O)[C@@H](N)C(C)=O C75090 [0,1,0,0,0,1|1,0,0]=3 83 B8R0.2 COC(=O)[C@@H](O)C(C)C N12468 [0,1,0,0,0,1|0,0,2]=4 84 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,1,0,0,0,1|2,0,0]=4 85 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [0,1,0,0,0,1|2,0,0]=4 86 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [0,1,0,0,0,1|1,0,1]=4 87 B8R0.5 COCC(=O)OC(C)C C11794 [0,1,0,0,0,1|0,0,2]=4 88 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,1,0,0,0,1|1,0,1]=4 89 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,1,0,0,0,1|1,0,1]=4 90 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [0,1,0,0,0,1|1,0,1]=4 91 B8R0.19 COC(=O)N[C@@H](C)CN D95526 [0,1,0,0,0,1|0,0,2]=4 92 B8R0.24 COC(=O)CC(C)(C)Br A11663 [0,1,0,0,0,1|0,0,2]=4 93 B8R0.24 COC(=O)CC(C)(C)O C75882 [0,1,0,0,0,1|0,0,2]=4 94 B8R0.24 COC(=O)NC(C)(C)C A12376 [0,1,0,0,0,1|0,0,2]=4 95 B8R0.3 C=CC[C@H](N)C(=O)OC 50494 [0,2,0,0,0,0|1,0,1]=4 96 B8R0.3 C=CC[C@H](N)C(=O)OC 78270 [0,2,0,0,0,0|1,0,1]=4 97 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,2,0,0,0,0|1,0,0]=3 98 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [0,2,0,0,0,0|1,0,1]=4 99 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [0,2,0,0,0,0|1,0,1]=4 100 B8R0.3 COC(=O)[C@H](C)N=C=O T72257 [0,2,0,0,0,0|0,0,2]=4 101 B8R0.3 COCC(=O)N(C)OC W16959 [0,2,0,0,0,0|1,0,1]=4 102 B8R0.3 COC[C@H](N)C(=O)OC C73433 [0,2,0,0,0,0|1,0,1]=4 103 B8R0.13 C#CC(C)(C)C(=O)OC AB9700 [0,2,0,0,0,0|0,0,2]=4 104 B8R0.13 CCC(=O)C(C)(C)C=O 31867 [0,2,0,0,0,0|1,0,1]=4 105 B8R0.13 COC(=O)C(C)(C)C=O C72545 [0,2,0,0,0,0|0,0,1]=3 106 B8R0.13 COC(=O)[C@@](C)(N)CO D77168 [0,2,0,0,0,0|0,0,2]=4 107 B8R0.20 CC[C@@H](CO)C(=O)OC AB9727 [0,2,0,0,0,0|0,0,2]=4 108 B8R0.20 CC[C@H](C#N)C(=O)OC Y14710 [0,2,0,0,0,0|0,0,2]=4 109 B8R0.20 COC(=O)C(CN)CN N13257 [0,2,0,0,0,0|0,0,2]=4 110 B6R1.2 C=C1CCNC1 F13598 [1,0,0,1,0,0|1,0,1]=4 111 B6R1.2 CC1=CNC=C1 59365 [1,0,0,1,0,0|1,0,1]=4 112 B6R1.2 CC1=CNN=C1 AT22811 [1,0,0,1,0,0|2,0,0]=4 113 B6R1.2 CC1=COC=C1 W18310 [1,0,0,1,0,0|0,0,1]=3 114 B6R1.2 CC1=NOC=C1 35767 [1,0,0,1,0,0|1,0,1]=4 115 B6R1.2 IC1=COCC1 P19286 [1,0,0,1,0,0|1,0,0]=3 116 B6R1.2 NC1=CON=C1 F14139 [1,0,0,1,0,0|2,0,0]=4 117 B6R1.4 C[C@H]1CCC1=O W18267 [1,0,0,1,0,0|1,0,1]=4 118 B6R1.4 C[C@H]1CNC1=O P20594 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,0,0,1,0,1|2,0,0]=4 120 B8R1.1 COC1=CC(=O)CC1 63697 [0,0,0,1,0,1|2,0,0]=4 121 B8R1.1 COC1=NC=C(Br)S1 78090 [0,0,0,1,0,1|2,0,0]=4 122 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,0,0,1,0,1|1,0,0]=3 123 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,0,0,1,0,1|0,0,1]=3 124 B8R1.4 CC1=CN=NC(=O)C1 78530 [0,0,0,1,0,1|2,0,0]=4 125 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,0,0,1,0,1|0,0,2]=4 126 B8R1.18 CC1=CC(C)=C(C)S1 T71950 [0,0,0,1,0,1|2,0,0]=4 127 B8R1.18 CN1CC(=O)OC1=O Y11634 [0,0,0,1,0,1|2,0,0]=4 128 B8R1.40 COC(=O)CC1CC1 28012 [0,0,0,1,0,1|0,0,2]=4 129 B8R1.51 CC1(C)COC(=O)C1 82056 [0,0,0,1,0,1|0,0,2]=4 130 B8R1.51 CC1(C)COC(=O)N1 38028 [0,0,0,1,0,1|0,0,2]=4 131 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,1,0,0|0,0,2]=4 132 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,1,0,1,0,0|1,0,1]=4 133 B8R1.19 CC1(C)CONC1=O D73557 [0,1,0,1,0,0|0,0,2]=4 134 B8R1.37 CCOC(=O)[C@@H]1CO1 20558 [0,1,0,1,0,0|1,0,1]=4 135 B8R1.11 CC1=C(C=O)OC=N1 AT18679 [0,1,0,1,0,0|1,0,1]=4 136 B8R1.11 CC1=C(CO)C=CO1 30727 [0,1,0,1,0,0|1,0,1]=4 137 B8R1.11 CC1=C(CO)C=NO1 72237 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.11 CC1=CON=C1C=O W10337 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.11 CC1=CSC=C1C=O P16095 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.11 CCC1=C(C)N=CS1 60935 [0,1,0,1,0,0|1,1,0]=4 141 B8R1.11 COC1=NNC=C1I F16206 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.11 O=C1CCC=C1CO E70389 [0,1,0,1,0,0|1,0,0]=3 143 B8R1.38 COC(=O)C1COC1 81275 [0,1,0,1,0,0|0,0,2]=4 144 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [0,1,0,1,0,0|0,0,2]=4 145 B8R1.50 CC1=C(Br)COC1=O W19136 [0,1,0,1,0,0|0,0,0]=2 146 B8R1.50 CC1=C(Br)N(C)C=N1 72894 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.50 CC1=C(Br)N(C)N=C1 P13239 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.50 CC1=C(C)N(C)C=N1 F18314 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.50 CC1=CSC(C)=C1N AT16742 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.50 CN1C(=O)CCC1=O D70368 [0,1,0,1,0,0|2,0,0]=4