0 B9R0.5 C=CCONC(=O)OCC T300969 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.5 CCCCNC(=O)OCC S406988 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.1 C=CCNC(=O)OCC S361445 [1,0,0,0,0,0|1,0,1]=3 3 B8R0.1 CCCNC(=O)OCC S361909 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.1 CCOC(=O)CCOC CDS025273 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.6 CCC/C=C/C(=O)OC R436038 [1,0,0,0,0,0|0,0,2]=3 6 B10R0.2 CCN/C(=C/C(=O)OCC)/C S541214 [0,1,0,0,0,0|1,0,1]=3 7 B10R0.2 CCOC(=O)CC(=S)OCC S664936 [0,1,0,0,0,0|1,0,2]=4 8 B10R0.2 CCOC(=O)NC(=O)OCC PH006851 [0,1,0,0,0,0|2,0,1]=4 9 B10R0.2 CCOC(=O)[CH-]C(=O)OCC S602574 [0,1,0,0,0,0|1,0,2]=4 10 B10R0.108 CCOC(=O)/C=C/C(=O)O[TlH2] S765627 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.10 CCOC1=NC=CC(=O)N1 PH009485 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [0,0,0,1,0,0|2,1,0]=4 19 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.10 COCC1=CC=CC(=N1)C S352160 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.11 CCCC(=O)C1=CC=CO1 S593230 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.11 CCCC(=O)C1=CC=CS1 S410160 [0,0,0,1,0,0|2,0,0]=3 23 B10R1.11 CCOC(=O)C1=CC=CN1 CDS000975 [0,0,0,1,0,0|1,0,0]=2 24 B10R1.11 CCOC(=O)C1=CCCC1 S942871 [0,0,0,1,0,0|0,0,2]=3 25 B10R1.11 CCOC(=O)C1=CNC=N1 CVT00042 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.78 C=C1C=CC=CCCCC1 T211605 [0,0,0,1,0,0|2,0,0]=3 27 B10R1.78 O=C1C=CC=CCCCC1 T211648 [0,0,0,1,0,0|1,0,0]=2 28 B10R1.78 O=C1C=CCCCCCC1 L169854 [0,0,0,1,0,0|1,0,2]=4 29 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [0,0,0,1,0,0|3,0,0]=4 33 B7R0.7 CCOC(=O)CNC PH000310 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.7 CCOC(=O)NNC PH007943 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.7 CCOC(=O)NOC PH005154 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.4 C/C=C/C=C\C(C)O T211419 [2,0,0,0,0,0|0,0,2]=4 37 B7R0.4 CCC/C=C/C(=O)C CDS001219 [2,0,0,0,0,0|0,0,2]=4 38 B7R0.4 CCO/C=C/C(=O)O CDS016341 [2,0,0,0,0,0|1,0,1]=4 39 B9R0.34 C(=C(/C)\NC)\C(=O)OCC S373435 [1,1,0,0,0,0|1,0,0]=3 40 B9R0.48 C(=C\C(=O)NCC)\C(=O)O S441392 [1,1,0,0,0,0|2,0,0]=4 41 B9R0.48 C=C(C)CNC(=O)OCC S36022 [1,1,0,0,0,0|1,0,1]=4 42 B9R0.48 C=C(Cl)CCC(=O)OCC T277177 [1,1,0,0,0,0|0,0,2]=4 43 B11R0.5 C(=C(/C)\NCC=C)\C(=O)OCC S509086 [0,2,0,0,0,0|0,0,2]=4 44 B11R0.174 C(=C(\C)/CO)\CCC(=O)OCC T255688 [0,2,0,0,0,0|0,0,2]=4 45 B11R0.1 CCOC(=O)NC(=O)CC(=O)C PH005185 [0,2,0,0,0,0|1,0,1]=4 46 B11R0.187 C/C=C(\C)/C(O)CC(=O)OCC S133906 [0,2,0,0,0,0|0,0,2]=4 47 B11R0.9 CCOC(=O)/C=C/N(CC)CC PH003620 [0,2,0,0,0,0|1,0,1]=4 48 B9R1.2 COC1=CC(=O)CCC1 T288349 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.7 CCCC1=CC=C(O1)C L159743 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,0,0,1,0,0|1,0,0]=3 51 B9R1.15 CCN1C=CC=CC1=O S683159 [1,0,0,1,0,0|1,0,0]=3 52 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.33 C=CCC1CCOC1=O T230685 [1,0,0,1,0,0|0,0,2]=4 55 B9R1.3 CC1=CC=CC(=O)N1C T294608 [1,0,0,1,0,0|1,0,0]=3 56 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [1,0,0,1,0,0|1,0,0]=3 59 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [1,0,0,1,0,0|1,0,0]=3 60 B9R1.11 CCC(=O)C1=CCCC1 T246662 [1,0,0,1,0,0|0,0,2]=4 61 B9R1.11 COC(=O)C1=NNC=C1 CDS009495 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.21 N1C(=CC=C1CC)C=O CBR01642 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.79 COC(=O)C=C1COC1 SYX00415 [1,0,0,1,0,0|1,0,1]=4 64 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,1,0,1,0,0|1,0,1]=4 65 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [0,1,0,1,0,0|1,0,1]=4 66 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.24 CC1=CC(=CC=C1)OCC#N OTV000130 [0,1,0,1,0,0|1,0,1]=4 68 B11R1.24 CC1=CC(=CC=C1)OCCBr PH000370 [0,1,0,1,0,0|1,0,0]=3 69 B11R1.24 CC1=CC(=CC=C1)OCCO S538558 [0,1,0,1,0,0|1,0,0]=3 70 B11R1.24 CC1=CC=CC(=C1)OCCN R414271 [0,1,0,1,0,0|1,0,0]=3 71 B11R1.24 CCCOC1=CC=CC(=C1)N CDS001846 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.24 CCCOC1=NC(=CN=C1)C R160261 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.24 CCCOC1=NC(=CN=C1)C S322318 [0,1,0,1,0,0|2,0,0]=4 74 B11R1.24 COCCC1=CC=CC(=N1)C S369543 [0,1,0,1,0,0|2,0,0]=4 75 B11R1.24 NC1=CC=CC(=C1)OCCO CBR00211 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.24 OCCOC1=CC=CC(=C1)O CDS003378 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.30 CCOC(=O)CN1C=CC=N1 S945447 [0,1,0,1,0,0|1,0,1]=4 78 B11R1.107 CC1=CC(=O)C=CCC=CC1 T211575 [0,1,0,1,0,0|1,0,1]=4 79 B11R1.189 CCNC1=CC(=CC=C1)CC PH012321 [0,1,0,1,0,0|2,0,0]=4 80 B11R1.199 CCCC(=O)C1=C(C=CS1)C S593311 [0,1,0,1,0,0|1,0,0]=3 81 B11R1.199 CCOC(=O)C1=C(SC=C1)N JRD0693 [0,1,0,1,0,0|1,0,0]=3 82 B11R1.199 CCOC(=O)C1=CSN=C1C CVT00098 [0,1,0,1,0,0|1,0,0]=3 83 B11R1.199 N1C=CC(=C1C)C(=O)OCC S941077 [0,1,0,1,0,0|0,0,0]=2 84 B11R1.34 CCOC1=CC(=CC(=C1)C)C S798266 [0,1,0,1,0,0|1,0,0]=3 85 B11R1.15 CCOC(=O)C1=CC=C(O1)Br S811386 [0,1,0,1,0,0|1,0,0]=3 86 B11R1.15 CCOC(=O)C1=CN=C(S1)C SYX00356 [0,1,0,1,0,0|1,0,0]=3 87 B11R1.15 CCOC(=O)C1=COC(=N1)Br CDS008103 [0,1,0,1,0,0|2,0,0]=4 88 B11R1.15 CCOC(=O)C1=CSC(=N1)Cl JRD0389 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.15 CCOC(=O)C1=NNC(=O)C1 PH000060 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.157 CC1=CC=CC(=N1)CC(C)O PH015426 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.13 CCCC1=C(C(=CC=C1)C)O S405507 [0,1,0,1,0,0|1,0,1]=4 93 B11R1.29 NCCNC(=O)C1=CC=CO1 R733512 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.192 CCOC1=CC=C(C(=C1)N)Cl PH004977 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.192 CCOC1=CC=C(C(=C1)N)N CDS007491 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.605 CCOC1=C(C=CC=C1N)N S767417 [0,1,0,1,0,0|2,0,0]=4 98 B11R2.102 O=C1OC2C=CC=CC1C2 T174262 [0,0,0,2,0,0|0,0,2]=4