0 B9R1.27 CCN1C(=NN=C1S)O CDS012290 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.27 CCN1C(=O)CSC1=S PH009981 [0,0,0,0,0,0|1,1,0]=2 2 B9R1.27 O=C1C=CC(=O)N1CO PH006878 [0,0,0,0,0,0|1,0,2]=3 3 B8R1.11 CCC1CCNC1=O CBR01663 [1,0,0,0,0,0|2,0,1]=4 4 B8R1.11 CCN1C=CN=C1Br CBR01693 [1,0,0,0,0,0|2,0,1]=4 5 B8R1.11 CCN1C=NN=C1S CDS013450 [1,0,0,0,0,0|2,1,0]=4 6 B8R1.11 O=C1CCCN1CO S362557 [1,0,0,0,0,0|1,0,1]=3 7 B8R1.50 CC1C(=O)COC1=O S839418 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.187 C=CCN1C(=O)CNC1=S PH007081 [0,1,0,0,0,0|1,1,1]=4 9 B10R1.187 C=CCN1C(=O)CSC1=S S281646 [0,1,0,0,0,0|1,1,1]=4 10 B10R1.187 CCCN1C(=O)CSC1=S PH010026 [0,1,0,0,0,0|1,1,0]=3 11 B10R1.187 O=C1C=CC(=O)N1CCO PH010005 [0,1,0,0,0,0|0,0,2]=3 12 B10R1.192 C/C(=C\1/C(=O)COC1=O)/N PH007113 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.192 CC(=O)C1C(=O)CCC1=O R426911 [0,1,0,0,0,0|1,0,1]=3 14 B10R1.192 CC(C)N1C(=O)CSC1=S PH007022 [0,1,0,0,0,0|1,1,0]=3 15 B10R1.192 CN(C)N1C(=O)CSC1=S S676861 [0,1,0,0,0,0|2,1,0]=4 16 B10R1.256 CCN1C(=O)CN(C1=S)C S981966 [0,1,0,0,0,0|1,1,0]=3 17 B10R1.256 CCN1C(=O)NC(=O)C1=O PH016115 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.1 C=CCNC(=O)OCC S361445 [0,0,1,0,0,0|3,0,0]=4 19 B8R0.1 CCCCC(=O)CCC S456489 [0,0,1,0,0,0|2,0,1]=4 20 B8R0.1 CCCNC(=O)NCC S805858 [0,0,1,0,0,0|2,0,1]=4 21 B8R0.1 CCOC(=O)CCC#N PH003642 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.1 CCOC(=O)CCOC CDS025273 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.18 CCC(C(=O)C)C(C)C S373559 [0,0,1,0,0,0|2,0,1]=4 24 B8R0.18 CCC(C(=O)N)C(=O)N PH009400 [0,0,1,0,0,0|3,0,0]=4 25 B8R0.20 CCN(CC)C(=O)CBr CBR01980 [0,0,1,0,0,0|2,0,1]=4 26 B10R2.32 [C@@H]12CCC[C@@H]1C(=O)CC2 T298077 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.30 CCN1C[C@H](NCC1=O)C CDS008125 [0,0,0,0,0,1|2,0,1]=4 28 B10R1.30 O=C1CNC(=O)[C@@H](N1)CO CDS010410 [0,0,0,0,0,1|3,0,0]=4 29 B7R0.3 CNCCC(=O)NC CBR01261 [1,0,1,0,0,0|2,0,0]=4 30 B7R0.7 CCNC(=O)CC#N OTV000131 [1,0,1,0,0,0|1,0,1]=4 31 B7R0.7 CCOC(=O)CCI T255378 [1,0,1,0,0,0|2,0,0]=4 32 B7R0.15 CCC(CC)C(=O)C PH016168 [1,0,1,0,0,0|1,0,1]=4 33 B7R0.15 CCN(CC)C(=O)[NH-] S586188 [1,0,1,0,0,0|1,0,1]=4 34 B7R0.16 C=C(C)C(C)C(=O)C S304417 [1,0,1,0,0,0|2,0,0]=4 35 B7R0.16 CC(=O)N(C)C(=O)C S511196 [1,0,1,0,0,0|0,0,0]=2 36 B7R0.10 CCC(=O)C(O)CC CDS000463 [1,0,1,0,0,0|1,0,1]=4 37 B7R1.4 CN1CCNC1=O CDS006142 [2,0,0,0,0,0|1,0,1]=4 38 B7R1.2 O=C1C=C(CC1)Cl PH014653 [2,0,0,0,0,0|2,0,0]=4 39 B9R0.5 CCCCNC(=O)NCC S802077 [0,1,1,0,0,0|1,0,1]=4 40 B9R0.5 CCNC(=O)NCCCO S804738 [0,1,1,0,0,0|0,0,2]=4 41 B9R0.5 CCNC(=O)NCCOC S804746 [0,1,1,0,0,0|2,0,0]=4 42 B9R0.8 C=CCCC(=O)N(C)OC T280461 [0,1,1,0,0,0|2,0,0]=4 43 B9R0.18 O=C(CCCO)NCCO PH008175 [0,1,1,0,0,0|0,0,2]=4 44 B9R0.48 C(=C\C(=O)NCC)\C(=O)O S441392 [0,1,1,0,0,0|0,0,2]=4 45 B9R0.48 C=C(C)CNC(=O)NCC S805793 [0,1,1,0,0,0|2,0,0]=4 46 B9R0.48 C=C(Cl)CCC(=O)OCC T277177 [0,1,1,0,0,0|2,0,0]=4 47 B9R0.37 CCN(CC)C(=O)CCN CDS005055 [0,1,1,0,0,0|1,0,1]=4 48 B9R0.37 CCOC(=O)N(CC)OC PH008534 [0,1,1,0,0,0|2,0,0]=4 49 B9R0.41 CCN(CC)C(=O)C(C)O PH010532 [0,1,1,0,0,0|1,0,1]=4 50 B9R1.14 C(=O)C1=CN=CN1CC CBR00006 [1,1,0,0,0,0|1,0,1]=4 51 B9R1.22 CCN1CC(CC1=O)N CBR00819 [1,1,0,0,0,0|0,0,1]=3 52 B9R1.33 NCCN1CCOC1=O CBR01024 [1,1,0,0,0,0|1,0,1]=4 53 B9R1.33 O=C1CCCN1CCBr CDS019689 [1,1,0,0,0,0|0,0,1]=3 54 B9R1.33 O=C1OCCN1CCO CDS013723 [1,1,0,0,0,0|1,0,1]=4 55 B9R1.41 CC(C)C1CCCC1=O CDS023294 [1,1,0,0,0,0|1,0,1]=4 56 B9R1.41 CC(C)N1CCNC1=O CBR01602 [1,1,0,0,0,0|1,0,1]=4 57 B9R1.37 CC1C(=O)CC(=O)C1=O PH004761 [1,1,0,0,0,0|1,0,1]=4 58 B9R1.37 CC1NC(=O)N(C1=O)C CBR02204 [1,1,0,0,0,0|1,0,0]=3 59 B9R1.37 CC1NC(=S)N(C1=O)C PH002723 [1,1,0,0,0,0|1,1,0]=4 60 B9R1.37 CN1C(=O)NC(=O)C1=O CBR02185 [1,1,0,0,0,0|1,0,1]=4 61 B9R1.37 CN1CC(=O)N(C1=S)C S986208 [1,1,0,0,0,0|1,1,0]=4 62 B9R1.37 O=C1CN(C(=O)N1Br)Br T308021 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.106 CC1(C(=O)CCC1=O)C T215899 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.182 NCCN1NC(=O)C=CC1=O CBR00788 [0,1,0,0,0,1|0,0,2]=4 65 B11R1.605 C=CCC1C(=O)CCCC1=O S305316 [0,1,0,0,0,1|1,0,1]=4 66 B11R1.605 O=C1CCCC(=O)N1CCCl PH018015 [0,1,0,0,0,1|0,0,0]=2 67 B11R1.465 CCCCN1C(=O)C=CC1=O R751499 [0,2,0,0,0,0|0,0,2]=4 68 B11R1.465 CCCCN1C(=O)CSC1=S PH010025 [0,2,0,0,0,0|1,1,0]=4 69 B11R1.465 N#CCCN1C(=O)C=CC1=O R788090 [0,2,0,0,0,0|0,0,2]=4 70 B11R1.465 N#CCCN1C(=O)CCC1=O S551775 [0,2,0,0,0,0|0,0,0]=2 71 B11R1.465 O=C1CNC(=O)N1CCCCl PH000506 [0,2,0,0,0,0|1,0,0]=3 72 B11R1.495 O=C(O)CN1C(=O)CSC1=O CBR00333 [0,2,0,0,0,0|1,0,1]=4 73 B9R1.49 CN1CCNC(=O)CC1 T298867 [0,0,1,1,0,0|2,0,0]=4 74 B9R1.168 CC(=O)C1(CC1)C(=O)O L510033 [0,0,1,1,0,0|2,0,0]=4 75 B9R1.11 CCC(=O)C1=CCCC1 T246662 [0,0,1,1,0,0|2,0,0]=4 76 B9R2.20 [C@H]12CCC(=O)[C@H]1CC2 T177652 [1,0,0,1,0,0|1,0,1]=4 77 B11R2.47 CC1=CC2CCC1CC2=O T233137 [0,0,0,1,0,1|2,0,0]=4 78 B11R2.1 O=C1CCC2=C1COCO2 R751456 [0,1,0,1,0,0|1,0,1]=4 79 B11R2.1 O=C1CSC2=NCCCN12 PH005109 [0,1,0,1,0,0|2,0,0]=4 80 B11R2.60 O=C1CCN2N1CCC2=O PH000259 [0,1,0,1,0,0|1,0,0]=3 81 B9R0.39 [C@@H](CC)(NC(=O)C)C(=O)O S777684 [0,0,1,0,0,1|2,0,0]=4 82 B9R1.3 CC1=C(CCCC1=O)Cl S884774 [1,0,0,0,0,1|2,0,0]=4 83 B9R1.3 CC1=C(CCCC1=O)O PH001252 [1,0,0,0,0,1|1,0,1]=4 84 B9R1.3 CN1C(=O)CNCC1=O CDS024599 [1,0,0,0,0,1|0,0,0]=2 85 B9R1.3 O=C1CCCC(=O)C1Br PH009749 [1,0,0,0,0,1|2,0,0]=4 86 B9R1.3 O=C1CCCC(=O)N1Br S525502 [1,0,0,0,0,1|1,0,0]=3