0 B10R1.329 CC1=CC(=O)OC(C1)(C)C S346292 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.329 CC1=CC(NC(=N1)S)(C)C S547042 [0,0,0,0,0,0|2,1,1]=4 2 B10R1.329 CC1=CC(SC(=N1)N)(C)C R911461 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.329 CC1=CC(SC(=S)N1)(C)C PH006963 [0,0,0,0,0,0|2,1,1]=4 4 B10R1.329 CC1=NC(=NC(C1)(C)C)S S369489 [0,0,0,0,0,0|2,1,0]=3 5 B10R1.329 CC1=NC(=O)NC(C1)(C)C S756296 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.329 CC1CC(CC(C1)(C)C)N PH009940 [0,0,0,0,0,0|1,0,3]=4 7 B10R1.329 CC1CC(CC(C1)(C)C)O S419001 [0,0,0,0,0,0|0,0,4]=4 8 B10R1.329 N1C(=CC(=CC1(C)C)C)C S355887 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.34 CC1CC(=O)CC(C1)C S419052 [1,0,0,0,0,0|0,0,2]=3 10 B9R1.34 N1C(=O)NC(=O)CC1C S533564 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.10 CC1=C/C(=N\O)/CC(C1)(C)C PH009073 [0,1,0,0,0,0|0,0,1]=2 12 B11R1.10 CCC1=CC(=O)CC(C1)(C)C T287865 [0,1,0,0,0,0|0,0,0]=1 13 B11R1.10 CNC1=CC(=O)CC(C1)(C)C S897388 [0,1,0,0,0,0|0,0,0]=1 14 B11R1.1361 CC1(CC(=O)C(C(=O)C1)Br)C S812110 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.1361 CC1=C(CC(CC1=O)(C)C)N S897353 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.1361 CC1CC(CC(=O)C1=O)(C)C S17354 [0,1,0,0,0,0|0,0,1]=2 17 B11R1.1361 CN1C(=O)CC(CC1=O)(C)C PH009394 [0,1,0,0,0,0|2,0,0]=3 18 B9R0.44 C=COC(=O)C[N+](C)(C)C R240613 [0,0,1,0,0,0|2,0,1]=4 19 B9R0.44 C=COC(=O)C[N+](C)(C)C R240966 [0,0,1,0,0,0|2,0,1]=4 20 B9R0.44 CCCC(=O)OC(C)(C)C PH007526 [0,0,1,0,0,0|1,0,2]=4 21 B9R0.44 CCOC(=O)CC(C)(C)C S547093 [0,0,1,0,0,0|1,0,1]=3 22 B9R0.53 C/C(=C/C(=O)OC(C)C)/N R276480 [0,0,1,0,0,0|2,0,0]=3 23 B9R0.53 CC(C)CS(=O)CC(C)C S767905 [0,0,1,0,0,0|1,0,2]=4 24 B11R2.739 CC1(CC2CC(=O)C1C2)C T245739 [0,0,0,1,0,0|0,0,2]=3 25 B9R1.36 CC1(C=C(C(=O)C1)Br)C T227870 [0,0,0,0,1,0|1,0,1]=3 26 B9R1.36 CC1(CC(=O)C(C1)O)C T239054 [0,0,0,0,1,0|1,0,1]=3 27 B9R1.36 CC1CC(NC1=O)(C)C CBR01662 [0,0,0,0,1,0|1,0,1]=3 28 B9R1.38 CC1(OC(=S)NC1=O)C S630373 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.38 CC1CC(=O)NC1(C)C CBR01605 [0,0,0,0,1,0|1,0,2]=4 30 B9R1.38 CC1CC(C(=O)O1)(C)C PH002288 [0,0,0,0,1,0|1,0,1]=3 31 B9R1.38 N1C(=O)C(CC1C)(C)C S950912 [0,0,0,0,1,0|1,0,1]=3 32 B9R1.38 N1C(=O)CC(C1=O)(C)C S950858 [0,0,0,0,1,0|2,0,0]=3 33 B8R0.5 C/C=C/C(=O)NC(C)C PH006962 [1,0,1,0,0,0|1,0,0]=3 34 B8R0.5 CC/C=C(\C)/C=C(C)C T181536 [1,0,1,0,0,0|1,0,1]=4 35 B8R0.5 CCCC(=O)CC(=O)C S839566 [1,0,1,0,0,0|1,0,1]=4 36 B8R0.5 CCO/C(=C/C(=O)O)/C S885061 [1,0,1,0,0,0|2,0,0]=4 37 B8R0.24 C=CC(=O)NC(C)(C)C S601497 [1,0,1,0,0,0|1,0,0]=3 38 B8R0.24 C=CC(C)CC(C)(C)C S431591 [1,0,1,0,0,0|0,0,1]=3 39 B8R0.24 CNC(=O)OC(C)(C)C SYX00012 [1,0,1,0,0,0|2,0,0]=4 40 B8R0.28 CC(=CCC[C@H](C)O)C T296155 [1,0,1,0,0,0|1,0,1]=4 41 B8R0.28 CC(=O)/C=C/C=C(C)C CDS001465 [1,0,1,0,0,0|0,0,2]=4 42 B8R0.28 CC(=O)CCCC(C)C CDS000306 [1,0,1,0,0,0|0,0,2]=4 43 B8R0.28 CC(=O)CSCC(C)C EME00074 [1,0,1,0,0,0|1,0,1]=4 44 B8R0.28 [C@H](C)(O)CCC=C(C)C T232645 [1,0,1,0,0,0|1,0,1]=4 45 B8R0.30 C=CCC(C)(O)CC=C S417394 [1,0,1,0,0,0|1,0,1]=4 46 B8R0.30 C=CCC(C)(O)CCC S417416 [1,0,1,0,0,0|1,0,1]=4 47 B8R0.34 C=C(C)CC(C)(O)CC S433195 [1,0,1,0,0,0|1,0,1]=4 48 B8R0.34 CCC(C)(C)OC(=O)C S851981 [1,0,1,0,0,0|1,0,1]=4 49 B8R0.34 CCC(C)(O)CC(=O)O CDS000460 [1,0,1,0,0,0|2,0,0]=4 50 B8R0.34 COC(C)(C)CC(=O)C CDS001275 [1,0,1,0,0,0|1,0,1]=4 51 B8R1.4 CC1=CCCC(=O)C1 PH000095 [2,0,0,0,0,0|0,0,2]=4 52 B8R1.4 NC1=CC(=O)CCC1 S897639 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.72 CC1(CC=CCC1)O T180912 [2,0,0,0,0,0|1,0,1]=4 54 B10R0.31 CC(CC(=O)O)CC(C)(C)C S415006 [0,1,1,0,0,0|0,0,2]=4 55 B10R1.8 CC1=C/C(=N\O)/CC(C1)C S792683 [1,1,0,0,0,0|0,0,1]=3 56 B10R1.8 CCC1CC(=O)CC(=O)C1 CDS014187 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.147 CC1(CCC(=O)C(=O)C1)C PH008262 [1,1,0,0,0,0|0,0,1]=3 58 B10R1.444 CC1(CC(=O)OC1CO)C R160636 [0,1,0,0,1,0|1,0,1]=4 59 B10R1.475 CCC1(CC(=O)N=C1O)C PH001065 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.42 CCOC1=CC(=O)CC(C1)(C)C S873853 [0,2,0,0,0,0|0,0,0]=2 61 B12R1.798 CC1=C(C(=O)NC(C1)(C)C)C#N PH008274 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.3007 CC1(CC(=O)C(C(=O)C1)(Br)Br)C S897493 [0,2,0,0,0,0|1,0,1]=4 63 B10R2.179 CC12CCCC(=O)C1C2 T179531 [1,0,0,1,0,0|0,0,2]=4 64 B12R2.766 C[C@H]1CC(=O)C2CC1C2(C)C T258598 [0,1,0,1,0,0|0,0,2]=4 65 B12R2.2764 CC12CCC(C(=O)C1)C(=O)C2 T235474 [0,1,0,1,0,0|1,0,1]=4 66 B8R0.14 CCCC(=O)C(C)(C)C CDS021484 [0,0,1,0,1,0|0,0,2]=4 67 B8R0.23 C/C(=C\C(C)C)/C(=O)O CDS001260 [0,0,1,0,1,0|1,0,1]=4 68 B8R0.23 CC(=O)CC(=O)C(C)C CBR01575 [0,0,1,0,1,0|1,0,1]=4 69 B8R0.12 C=CCC(C)(C)C(=O)C T292311 [0,0,1,0,1,0|0,0,2]=4 70 B8R0.12 CCCC(C)(C)C(=O)C PH011400 [0,0,1,0,1,0|0,0,2]=4 71 B8R0.12 CSCC(C)(C)C(=O)O PH007648 [0,0,1,0,1,0|2,0,0]=4 72 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [1,0,0,0,1,0|1,0,0]=3 73 B8R1.18 CC1CC(C(=O)O1)C S327565 [1,0,0,0,1,0|1,0,1]=4 74 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [1,0,0,0,1,0|1,0,1]=4 75 B8R1.19 C[N+]1=COCC1(C)C S618810 [1,0,0,0,1,0|2,0,0]=4 76 B8R1.51 CC1(C=CC(=C1)Br)C T258652 [1,0,0,0,1,0|1,0,1]=4 77 B8R1.51 CC1(CCC(=O)O1)C CDS007697 [1,0,0,0,1,0|1,0,1]=4 78 B8R1.51 CC1(CNC(=O)O1)C T283703 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.51 CC1(COC(=O)N1)C CBR01583 [1,0,0,0,1,0|2,0,0]=4 80 B10R1.302 CC1(CC=CC(=O)CC1)C T202908 [1,0,0,0,0,1|0,0,0]=2