0 B10R0.2 CCCC(N)CC(=O)OCC CBR01547 [0,0,0,0,0,0|1,0,1]=2 1 B10R0.2 CCN/C(=C/C(=O)OCC)/C S541214 [0,0,0,0,0,0|2,0,1]=3 2 B10R0.2 CCNC(=O)CC(=O)NCC TMT00065 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.2 CCOC(=O)CC(=S)OCC S664936 [0,0,0,0,0,0|1,1,0]=2 4 B10R0.2 CCOC(=O)CC(O)COC S877271 [0,0,0,0,0,0|1,0,2]=3 5 B10R0.2 CCOC(=O)NC(=O)OCC PH006851 [0,0,0,0,0,0|2,0,0]=2 6 B10R0.2 CCOC(=O)[CH-]C(=O)OCC S602574 [0,0,0,0,0,0|1,0,1]=2 7 B9R0.5 CCCCCC(=O)CCC S411825 [1,0,0,0,0,0|1,0,1]=3 8 B9R0.5 CCCCNC(=O)CCC EME00389 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.5 CCCCNC(=O)NCC S802077 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.5 CCCCNC(=O)OCC S406988 [1,0,0,0,0,0|1,0,1]=3 11 B9R0.5 CCOC(=O)CCCCI S677175 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.5 CCOC(=O)CCCCN CDS023812 [1,0,0,0,0,0|1,0,1]=3 13 B9R0.5 CCOC(=O)NCCCBr PH001320 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.5 [C-]#[N+]CCCC(=O)OCC PH015035 [1,0,0,0,0,0|1,0,2]=4 15 B9R0.34 C(=C(/C)\NC)\C(=O)OCC S373435 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.34 CCNC(=O)NC(=O)CCl R238694 [1,0,0,0,0,0|3,0,0]=4 17 B11R0.1 CCOC(=O)CC(N)CC(C)C CBR01344 [0,1,0,0,0,0|1,0,1]=3 18 B11R0.1 CCOC(=O)NC(=O)CC(=O)C PH005185 [0,1,0,0,0,0|1,0,1]=3 19 B11R0.5 C=CCCC(=O)CC(=O)OCC S349259 [0,1,0,0,0,0|0,0,1]=2 20 B11R0.5 CCCCC(N)CC(=O)OCC CBR00803 [0,1,0,0,0,0|1,0,1]=3 21 B11R0.177 CCOC(=O)C(N)C(=O)OCC PH015410 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.30 CCOC(=O)CC1CCCC1 S433101 [0,0,0,1,0,0|1,0,1]=3 23 B11R1.34 CCOC1=CC(=O)CC(C1)C T286362 [0,0,0,1,0,0|1,0,1]=3 24 B11R1.199 CCOC(=O)C1C=NOC1=O S443182 [0,0,0,1,0,0|2,0,1]=4 25 B9R0.35 CCCC(=O)C(O)CCC S705500 [0,0,0,0,1,0|1,0,2]=4 26 B9R0.35 CCC[C@H](N)C(=O)OCC CDS021016 [0,0,0,0,1,0|1,0,1]=3 27 B9R0.35 CCNC(=O)C(=O)NCC L158526 [0,0,0,0,1,0|2,0,0]=3 28 B8R0.1 CCCCC(=O)CCC S456489 [2,0,0,0,0,0|0,0,1]=3 29 B8R0.1 CCCNC(=O)NCC S805858 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.1 CCCNC(=O)OCC S361909 [2,0,0,0,0,0|1,0,0]=3 31 B8R0.1 CCOC(=O)CCC#N PH003642 [2,0,0,0,0,0|1,0,1]=4 32 B8R0.1 CCOC(=O)CCOC CDS025273 [2,0,0,0,0,0|1,0,0]=3 33 B8R0.1 CCOC(=O)NCCO S391980 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.6 CCC/C=C/C(=O)OC R436038 [2,0,0,0,0,0|0,0,1]=3 35 B8R0.6 CCCCCC(=O)SC CDS010601 [2,0,0,0,0,0|0,1,1]=4 36 B8R0.6 CCCCNC(=O)OC S352683 [2,0,0,0,0,0|1,0,1]=4 37 B8R0.6 CCOCCC(=O)OC PH000125 [2,0,0,0,0,0|1,0,1]=4 38 B8R0.6 CCSCCC(=O)OC S365688 [2,0,0,0,0,0|1,0,1]=4 39 B8R0.5 CCCC(=O)CC(=O)C S839566 [2,0,0,0,0,0|0,0,0]=2 40 B8R0.5 CCCC(N)CC(=O)O BBO000362 [2,0,0,0,0,0|1,0,1]=4 41 B8R0.5 CCOC(=O)CC(=O)C S813079 [2,0,0,0,0,0|0,0,0]=2 42 B8R0.5 CCOC(=O)NC(=O)C S357308 [2,0,0,0,0,0|1,0,0]=3 43 B8R0.19 COC(=O)NC(=O)CCl PH010166 [2,0,0,0,0,0|2,0,0]=4 44 B10R0.1 CCCNCCC(=O)OCC OTV000022 [1,1,0,0,0,0|0,0,1]=3 45 B10R0.3 CCOC(=O)CCCN(C)C PH002341 [1,1,0,0,0,0|1,0,1]=4 46 B10R0.3 CCOC(=O)COCC(C)C T332593 [1,1,0,0,0,0|1,0,0]=3 47 B10R0.91 CCCCNC(=O)OCCI PH005343 [1,1,0,0,0,0|1,0,1]=4 48 B10R0.7 CCOC(=O)CS(=O)(=O)CCl T175668 [1,1,0,0,0,0|2,0,0]=4 49 B10R0.18 C=CCCC(=O)CC(=O)OC T272175 [1,1,0,0,0,0|0,0,1]=3 50 B10R0.26 CCOC(=O)CC(N)C(C)C CBR00804 [1,1,0,0,0,0|1,0,1]=4 51 B10R0.35 CCOC(=O)C(C)C(=O)NC S880949 [1,1,0,0,0,0|1,0,0]=3 52 B10R0.35 CCOC(=O)[C@H](N)[C@@H](C)CC CDS021429 [1,1,0,0,0,0|1,0,1]=4 53 B10R0.32 CCOC(=O)C(N)CC(C)C S846015 [0,1,0,0,1,0|1,0,1]=4 54 B10R0.32 CCOC(=O)C(O)CC(C)C CDS000270 [0,1,0,0,1,0|0,0,2]=4 55 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC S598895 [0,1,0,0,1,0|1,0,1]=4 56 B10R0.33 CC/C=C(\C#N)/C(=O)OCC S661201 [0,1,0,0,1,0|1,0,1]=4 57 B10R0.33 CCCC(CN)C(=O)OCC PH015720 [0,1,0,0,1,0|1,0,1]=4 58 B12R0.69 CCOC(=O)/C=C(\Cl)/C(=O)OCC PH008737 [0,1,0,0,0,1|1,0,1]=4 59 B12R0.69 CCOC(=O)/C=C(\[O-])/C(=O)OCC S859133 [0,1,0,0,0,1|1,0,1]=4 60 B12R0.69 CCOC(=O)CC(C)C(=O)OCC S457728 [0,1,0,0,0,1|1,0,0]=3 61 B12R0.69 CCOC(=O)CN(C)C(=O)OCC PH001356 [0,1,0,0,0,1|1,0,0]=3 62 B12R0.69 CCOC(=O)C[C@H](O)C(=O)OCC PH015187 [0,1,0,0,0,1|1,0,0]=3 63 B12R0.3 CC(C)CC(=O)OC(=O)CC(C)C S570982 [0,2,0,0,0,0|2,0,0]=4 64 B12R0.103 CCCNC(=O)CC(=O)NCCC PH007137 [0,2,0,0,0,0|1,0,0]=3 65 B12R0.103 O=C(CC(=O)NCCO)NCCO PH002928 [0,2,0,0,0,0|2,0,0]=4 66 B12R0.103 O=C(CC(=O)OCCCl)OCCCl S112275 [0,2,0,0,0,0|1,0,0]=3 67 B12R0.239 CCCCOC(=O)CC(=O)OCC S810886 [0,2,0,0,0,0|0,0,0]=2 68 B12R0.8 CCC/C(=C(\C#N)/C(=O)OCC)/C S36006 [0,2,0,0,0,0|1,0,1]=4 69 B12R0.8 CCOC(=O)C(=CN)C(=O)OCC T160156 [0,2,0,0,0,0|1,0,1]=4 70 B12R0.8 CCOC(=O)C(=NO)C(=O)OCC S651575 [0,2,0,0,0,0|1,0,1]=4 71 B10R1.11 CCOC(=O)C1=CCCC1 S942871 [1,0,0,1,0,0|0,0,1]=3 72 B10R1.78 O=C1C=CCCCCCC1 L169854 [1,0,0,1,0,0|1,0,1]=4 73 B10R1.22 CC1=C(C(=O)CC(=O)O1)C PH016843 [1,0,0,1,0,0|0,0,2]=4 74 B10R1.149 COC(=O)C1CCOC1=O T260215 [1,0,0,1,0,0|1,0,0]=3 75 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N BBO000403 [1,0,0,1,0,0|1,0,1]=4 76 B10R1.2 CCN1CCNC(=O)C1=O PH011088 [0,0,0,1,1,0|2,0,0]=4 77 B10R1.118 CC1NC(=O)C(=O)OC1C S756261 [0,0,0,1,1,0|1,0,0]=3 78 B12R1.206 O=C1CCC(=O)OCCCCO1 S765023 [0,0,0,1,0,1|1,0,0]=3 79 B12R1.318 CCOC(=O)CC1CCCC1=O T175358 [0,0,0,1,0,1|0,0,0]=2 80 B12R1.318 CCOC(=O)CN1CCCC1=O S782505 [0,0,0,1,0,1|0,0,0]=2 81 B12R1.42 CCOC1=CC(=O)CC(C1)(C)C S873853 [0,1,0,1,0,0|1,0,1]=4 82 B12R1.32 CCOC(=O)C=C1CCOCC1 PHB00281 [0,1,0,1,0,0|1,0,1]=4 83 B12R1.32 CCOC(=O)CC1=CCCCC1 S368830 [0,1,0,1,0,0|1,0,0]=3 84 B12R1.32 CCOC(=O)CC1CCCNC1 PH010419 [0,1,0,1,0,0|1,0,1]=4 85 B12R1.32 CCOC(=O)CC1CCCNC1 PHB00138 [0,1,0,1,0,0|1,0,1]=4 86 B12R1.32 CCOC(=O)CC1CCNCC1 CDS003461 [0,1,0,1,0,0|1,0,1]=4 87 B12R1.32 CCOC(=O)CN1CCOCC1 PH011005 [0,1,0,1,0,0|2,0,0]=4 88 B12R1.1589 CCOC(=O)C1C(=NOC1C)Cl S101923 [0,1,0,1,0,0|2,0,0]=4 89 B12R1.55 CCOC(=O)C(Br)C1CCCC1 PH016311 [0,1,0,1,0,0|1,0,1]=4 90 B12R1.3393 CCOC(=O)C1(CCCC1=O)C T289388 [0,1,0,1,0,0|0,0,0]=2 91 B12R1.3393 CCOC(=O)C1(CCOC1=O)C S518786 [0,1,0,1,0,0|1,0,0]=3 92 B12R1.1579 CCOC(=O)C1CCC(C1=O)C T290122 [0,1,0,1,0,0|0,0,0]=2 93 B12R2.2028 O=C1NC(=O)N2C1CCCC2 T324329 [0,0,0,2,0,0|2,0,0]=4 94 B12R2.96 O=C1CCCC12CCCC2=O T278939 [0,0,0,2,0,0|1,0,0]=3 95 B12R2.1252 O=C1CC(=O)CC2CC(C1)C2 T236993 [0,0,0,2,0,0|1,0,0]=3 96 B8R0.3 CCCC(=O)C(Br)CC PH011136 [1,0,0,0,1,0|1,0,1]=4 97 B8R0.3 CCCC(O)C(=O)CC PH008572 [1,0,0,0,1,0|0,0,2]=4 98 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [1,0,0,0,1,0|1,0,1]=4 99 B8R0.3 CCOC(=O)C(Cl)CC S918407 [1,0,0,0,1,0|1,0,1]=4 100 B8R0.3 CCOC(=O)C(F)CC S431370 [1,0,0,0,1,0|1,0,1]=4 101 B12R0.285 CCOC(=O)CCNC(=O)OCC PH001370 [0,0,0,0,0,2|1,0,0]=3 102 B12R0.285 CCOC(=O)NCNC(=O)OCC S438553 [0,0,0,0,0,2|1,0,0]=3