0 B8R0.14 C=C(OCC)[Sn](C)(C)C 20819 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.14 CC(C)(C)C(=O)NC#N F51695 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.14 CC(C)(C)C(=O)NCO 81302 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.14 CC(C)(F)C(=O)CC#N 88180 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.14 CCCC(=O)C(F)(F)F O10330 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.14 CNCC(=O)C(C)(C)C F50925 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.14 [2H]C([2H])([2H])C(=O)OCC D97996 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.5 CC(C)C(=O)NCO 81303 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.5 CCOC(=N)C(C)C W12825 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.5 CN(C)C(=O)CCCl F53638 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.5 CN(C)C(=O)CCN P17578 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.5 CN(C)C(=O)OCCl C77477 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.8 CCCNC(C)(C)C AT13992 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.8 CC\C=C/C(C)(C)C T71234 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.14 CC(C)(C)C(=O)NO AT14824 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.14 CC[C@H](C)C(C)(C)C T72627 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.14 C\C=C(/C)C(C)(C)C D92448 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.14 [2H]C([2H])(Br)C(=O)OC D97884 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.14 [2H]C([2H])([2H])C(=O)OC D99299 [1,0,0,0,0,0|3,0,0]=4 19 B9R0.3 CC(F)(F)C(=O)NCCO 86672 [0,1,0,0,0,0|3,0,0]=4 20 B9R0.19 CCOC(=O)C(F)(F)CO C15704 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.19 CCOC(=O)[C@@](C)(N)CC D78556 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.38 CC1(C)NC(=O)OC1=O AC6402 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.38 C[C@@H]1CC(=O)C(C)(C)C1 T72217 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.74 CCOC(=O)C1(Cl)CC1 96432 [0,0,0,1,0,0|1,0,0]=2 25 B9R1.102 CC(C)(C)C(=O)C1CC1 F30713 [0,0,0,1,0,0|2,0,0]=3 26 B9R0.44 C=C(OCC)O[Si](C)(C)C 95553 [0,0,0,0,0,1|2,1,0]=4 27 B9R0.44 CC(C)(C)OC(=O)CCCl C15988 [0,0,0,0,0,1|3,0,0]=4 28 B9R0.44 CCOC(=O)NC(C)(C)C AC9360 [0,0,0,0,0,1|1,0,0]=2 29 B9R0.44 CONC(=O)OC(C)(C)C O12143 [0,0,0,0,0,1|3,0,0]=4 30 B6R0.1 CCNC(=O)OC C16084 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.1 CCOC(=N)CCl AC8745 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.1 CCOC(=S)SC AC9840 [2,0,0,0,0,0|1,1,0]=4 33 B6R0.3 C=CC(=O)C(C)C C77506 [2,0,0,0,0,0|0,0,2]=4 34 B6R0.3 CC[C@H](N)C(C)C 74049 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.3 CN(C)C(=O)CS AT25548 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.5 CCCC(C)(C)C D87693 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.7 CC(=O)C(C)(F)F AT12473 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.7 [2H]C(C)(C)C(=O)O D98193 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.7 [2H]C([2H])(C)C(=O)O D99197 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.7 [2H][C@@](C)(N)C(=O)O D98250 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.3 C#C[C@@H](O)C(=O)OCC T71981 [1,1,0,0,0,0|0,1,1]=4 42 B8R0.3 C=C(CC)C(=O)OCC 97591 [1,1,0,0,0,0|0,0,2]=4 43 B8R0.3 C=C(CCl)C(=O)OCC T70430 [1,1,0,0,0,0|0,0,2]=4 44 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [1,1,0,0,0,0|0,0,0]=2 45 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [1,1,0,0,0,0|0,0,0]=2 46 B8R0.3 CCOC(=O)[C@@H](Cl)C=N L10141 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.3 CCOC(=O)[C@H](C)NC D87311 [1,1,0,0,0,0|0,0,0]=2 48 B8R0.3 CCOC(=O)[C@H](C)OC 90999 [1,1,0,0,0,0|0,0,0]=2 49 B8R0.3 CCOC(=O)\C(Cl)=N\C AC2255 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.8 C=C(C)C(=O)OCCBr T70933 [1,1,0,0,0,0|0,0,2]=4 51 B8R0.8 CC(C)C(=O)CCC#N F51230 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.8 CN(C)C(=O)NCCO AT23088 [1,1,0,0,0,0|2,0,0]=4 54 B8R0.23 CC(C)CC(=O)C(C)C T70480 [1,1,0,0,0,0|1,0,0]=3 55 B8R0.13 C=CC(C)(C)C(=O)CC F51066 [1,1,0,0,0,0|1,0,0]=3 56 B8R0.13 COC(=O)C(F)(F)CBr AT22612 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.13 COC(=O)[C@@](C)(N)CO AT18244 [1,1,0,0,0,0|1,0,0]=3 58 B10R0.7 C=CC(C)(C)CC(=O)OCC 28251 [0,1,0,0,0,1|1,0,0]=3 59 B10R0.28 CC(C)(C)CC(=O)NCCN F21228 [0,1,0,0,0,1|2,0,0]=4 60 B10R0.28 CNCCC(=O)OC(C)(C)C A50520 [0,1,0,0,0,1|2,0,0]=4 61 B10R0.31 C[C@H](O)CC(=O)OC(C)(C)C 23505 [0,1,0,0,0,1|2,0,0]=4 62 B10R0.31 C[C@H](O)CC(=O)OC(C)(C)C AT12506 [0,1,0,0,0,1|2,0,0]=4 63 B10R0.31 C[C@H](O)CC(=O)OC(C)(C)C AT12509 [0,1,0,0,0,1|2,0,0]=4 64 B10R0.37 CC[C@H](O)C(=O)OC(C)(C)C P17852 [0,1,0,0,0,1|2,0,0]=4 65 B10R0.114 CC(C)(C)OC(=O)C(C)(C)N F20560 [0,2,0,0,0,0|1,0,0]=3 66 B10R0.36 C=C(Cl)C(C)(C)C(=O)OCC A10157 [0,2,0,0,0,0|1,0,0]=3 67 B10R0.36 CCOC(=O)C(C)(C)C(N)=S W18276 [0,2,0,0,0,0|0,0,1]=3 68 B10R0.36 CCOC(=O)C(F)(F)[C@H](C)O N13042 [0,2,0,0,0,0|2,0,0]=4 69 B10R0.36 CCOC(=O)[C@@](C)(Br)C(C)=O 21223 [0,2,0,0,0,0|1,0,0]=3 70 B10R0.129 CCC[C@](C)(N)C(=O)OCC D78557 [0,2,0,0,0,0|1,0,0]=3 71 B8R1.5 CN1CCCCC1=O C16744 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.5 C[C@H]1CCNCC1=O P13522 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.5 C[C@H]1CCOCC1=O F53480 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.5 N[C@H]1CCCNC1=O 51548 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.24 CC1(C)C(=O)C[C@@H]1O AT20132 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.37 CCOC(=O)[C@@H]1CO1 A10023 [1,0,0,1,0,0|0,1,0]=3 78 B8R1.72 CC1(C)COCCN1 S10178 [1,0,0,1,0,0|1,0,1]=4 79 B10R1.373 CC(C)(C)CC(=O)C1CC1 F30716 [0,0,0,1,0,1|2,0,0]=4 80 B10R1.400 CCOC(=O)C1CC1(F)Cl CS3138 [0,0,0,1,0,1|2,0,0]=4 81 B10R1.36 C=C[C@@H]1CC(C)(C)C(=O)O1 C11643 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.36 CC1(C)C[C@H](CO)NC1=O AT19157 [0,1,0,1,0,0|2,0,0]=4 83 B10R1.120 CC1(C)C[C@@H](O)CCC1=O F30863 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.114 CC1(C)C(=O)CCC[C@@H]1O D90971 [0,1,0,1,0,0|1,1,0]=4 85 B10R1.339 CC1NC(=O)C(C)(C)C1O 94944 [0,1,0,1,0,0|1,1,0]=4 86 B10R1.401 CCOC(=O)C1(C)COC1 C93315 [0,1,0,1,0,0|0,1,0]=3 87 B10R1.405 CCOC(=O)C1(CF)CC1 AC7247 [0,1,0,1,0,0|1,0,0]=3 88 B10R1.447 CCN1C[C@](C)(CCl)C1=O AT19220 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.447 CCN1C[C@](C)(CN)C1=O AT19041 [0,1,0,1,0,0|2,0,0]=4 90 B10R2.15 O=C1NCCOC12CC2 P18024 [0,0,0,2,0,0|1,1,0]=4 91 B8R0.5 CC(C)OC(=O)CCS FD10479 [1,0,0,0,0,1|2,0,0]=4 92 B8R0.5 CC(C)OC(=O)OCI D73860 [1,0,0,0,0,1|1,0,0]=3 93 B8R0.5 CCCC(=O)CC(C)C T72726 [1,0,0,0,0,1|1,0,0]=3 94 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [1,0,0,0,0,1|1,0,0]=3 95 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [1,0,0,0,0,1|1,0,0]=3 96 B10R0.109 CCOC(=O)\C=C\C(C)(C)C Y14771 [0,0,0,0,0,2|1,0,0]=3