0 B10R1.18 C=C(C)CN1CCNCC1 D76635 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.18 CC(=O)CN1CCOCC1 F30141 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.18 CC(=O)OC1CCNCC1 95803 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.18 CN(C)C[C@H]1CCCCN1 72858 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.18 CN(C)C[C@H]1CCCCN1 C77790 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.18 CN(C)C[C@H]1CCCCN1 D76620 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.18 CN(C)C[C@H]1CCCNC1 C77801 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.18 C[C@H](N)CC1CCCCC1 N13140 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.18 NC(=O)CC1CCNCC1 AC9776 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 NC(=O)CC1CCOCC1 C14576 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.18 NC(=O)CN1CCNCC1 O10537 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.18 NC(=O)NC1CCNCC1 AT22990 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.18 O=C(Cl)OC1CCOCC1 C77597 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.18 O=C(O)CN1CCSCC1 AT25287 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.18 O=C(O)CN1CCSCC1 W18219 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1465 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.18 O=C(O)C[C@H]1CCCNC1 AC3441 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.18 O=C(O)C[C@H]1CNCCN1 S11349 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.18 O=C(O)C[C@H]1COCCN1 77662 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.18 O=C(O)C[C@H]1COCCN1 77663 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.18 O=C(O)C[C@H]1COCCN1 77664 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.18 O=C(O)C[C@H]1COCCO1 39095 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.8 C#CCC1CCNCC1 AT11974 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 C#CC[C@H]1CCCNC1 AT11977 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 C=CCN1CCSCC1 F16794 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.8 C=CC[C@H]1CCCCN1 A51152 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 CCCC1CCNCC1 C75224 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 CCC[C@H]1CCCCN1 F16887 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 CNCC1CCCCC1 P19116 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 CNCC1CCOCC1 71672 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 CNC[C@H]1CCCCO1 F16332 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.8 COC[C@H]1CCCCN1 31181 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 COC[C@H]1CCCCN1 Y11003 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.8 COC[C@H]1CCCNC1 C78400 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.8 N#CCC1CCNCC1 32762 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 N#CC[C@H]1CCCOC1 AT23687 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 NCCC1CCNCC1 65278 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 NCC[C@H]1CCCCN1 D76613 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 NCC[C@H]1CCCCO1 SC1551 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 NCC[C@H]1CCCNC1 D76642 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.8 NCC[C@H]1CCCOC1 AT23688 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.8 NCC[C@H]1CCCOC1 AT23689 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 NNCC1CCCCC1 P11239 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 O=CCN1CCOCC1 F17543 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 OCCN1CCCCO1 72896 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 OCC[C@H]1CCCOC1 AT23679 [1,0,0,0,0,0|1,0,1]=3 46 B9R1.8 OCC[C@H]1CNCCN1 27756 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.8 OCC[C@H]1CNCCO1 A50782 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.8 OCC[C@H]1COCCN1 A50775 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.8 OCC[C@H]1COCCN1 C78196 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.20 CN1CCC(CC(=O)O)CC1 C78395 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.20 NC1CCC(CC(=O)O)CC1 D76125 [0,1,0,0,0,0|0,0,0]=1 52 B11R1.20 O=C(O)CN1CCC(O)CC1 C80012 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.20 O=C(O)C[C@H]1CC[C@@H](O)CC1 A11165 [0,1,0,0,0,0|0,0,0]=1 54 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 P10898 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 P12901 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.36 C[C@@H](C(=O)O)N1CCSCC1 AT25282 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.40 CNC(=O)NC1CCNCC1 AT22991 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.40 CNC(=O)OC1CCNCC1 AT22998 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.40 COC(=O)C[C@H]1CCCNC1 AB9802 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.40 COC(=O)C[C@H]1CNCCN1 D79031 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.40 COC(=O)C[C@H]1CNCCN1 S11350 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.40 COC(=O)C[C@H]1CNCCO1 F17624 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.40 COC(=O)C[C@H]1CNCCO1 F18995 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.40 COC(=O)C[C@H]1CNCCO1 F18996 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.40 COC(=O)C[C@H]1CNCCO1 F18999 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.40 COC(=O)C[C@H]1COCCN1 73924 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.40 COC(=O)C[C@H]1COCCN1 F14597 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.40 COC(=O)C[C@H]1COCCO1 AT10081 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.40 N[C@H](CO)CC1CCCCC1 C15270 [0,1,0,0,0,0|1,0,1]=3 70 B11R1.40 N[C@H](CO)CC1CCCCC1 C72250 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.40 N[C@H](CO)CC1CCCCC1 C77724 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.86 C[C@H]1CNCCN1CC(=O)O AC2825 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.157 O=C(O)CN1CCNC(=O)C1 AT13742 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.157 O=C(O)CN1CCNC(=O)C1 F10462 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 97098 [0,1,0,0,0,0|0,0,1]=2 76 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 97101 [0,1,0,0,0,0|0,0,1]=2 77 B11R1.509 F[B-](F)(F)CC1CCCCC1 A50057 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.928 NC1(CC(=O)O)CCNCC1 W15976 [0,1,0,0,0,0|1,0,0]=2 79 B9R0.2 CNCCCCCC(=O)O AT21580 [0,0,1,0,0,0|1,0,0]=2 80 B9R0.2 NCCCCCCC(N)=O AC7480 [0,0,1,0,0,0|2,0,0]=3 81 B9R0.2 [N-]=[N+]=NCCCCC(=O)O D88530 [0,0,1,0,0,0|3,0,0]=4 82 B9R0.4 CCCC[C@H](N)CC(=O)O N14199 [0,0,1,0,0,0|1,0,0]=2 83 B9R0.4 CCCC[C@H](N)CC(=O)O N14200 [0,0,1,0,0,0|1,0,0]=2 84 B11R2.10 O=C1C[C@@H]2CCCC[C@@H]2N1 AT25973 [0,0,0,1,0,0|1,0,0]=2 85 B11R2.678 NC1CC2CCCC(C1)C2 94778 [0,0,0,1,0,0|2,0,1]=4 86 B11R2.703 O=C1CC2(CCOCC2)N1 AT19047 [0,0,0,1,0,0|2,0,0]=3 87 B11R2.703 OC1CC2(CCNCC2)C1 W14095 [0,0,0,1,0,0|2,0,1]=4 88 B9R1.6 CC(=O)[C@@H]1CCCCN1 F16683 [0,0,0,0,1,0|2,0,0]=3 89 B9R1.6 CC(=O)[C@H]1CCCNC1 P11325 [0,0,0,0,1,0|2,0,0]=3 90 B9R1.6 CC(=O)[C@H]1CCCOC1 AT13308 [0,0,0,0,1,0|2,0,0]=3 91 B9R1.6 C[C@H](Br)C1CCCCC1 O10008 [0,0,0,0,1,0|2,0,1]=4 92 B9R1.6 C[C@H](N)C1CCCCC1 79907 [0,0,0,0,1,0|2,0,1]=4 93 B9R1.6 C[C@H](N)C1CCCCC1 79908 [0,0,0,0,1,0|2,0,1]=4 94 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [0,0,0,0,1,0|1,0,1]=3 95 B9R1.6 NC(=O)N1CCNCC1 D76637 [0,0,0,0,1,0|3,0,0]=4 96 B9R1.6 NC(=O)N1CCOCC1 F14225 [0,0,0,0,1,0|3,0,0]=4 97 B9R1.6 NC(=O)[C@@H]1CCCCN1 CS3415 [0,0,0,0,1,0|2,0,0]=3 98 B9R1.6 NC(=O)[C@@H]1CNCCO1 W13722 [0,0,0,0,1,0|3,0,0]=4 99 B9R1.6 NC(=O)[C@@H]1COCCN1 F17613 [0,0,0,0,1,0|3,0,0]=4 100 B9R1.6 NC(=O)[C@@H]1COCCN1 F19100 [0,0,0,0,1,0|3,0,0]=4 101 B9R1.6 O=C(O)C1=CCCNC1 C10916 [0,0,0,0,1,0|1,0,2]=4 102 B9R1.6 O=C(O)C1=CCCNC1 F13202 [0,0,0,0,1,0|1,0,2]=4 103 B9R1.6 O=C(O)C1=CCCOC1 SC1721 [0,0,0,0,1,0|1,0,2]=4 104 B9R1.6 O=C(O)[C@@H]1CCCCS1 90959 [0,0,0,0,1,0|1,0,0]=2 105 B9R1.6 O=C(O)[C@@H]1CCCNN1 50467 [0,0,0,0,1,0|2,0,0]=3 106 B9R1.6 O=C(O)[C@@H]1CSCCN1 77694 [0,0,0,0,1,0|2,0,0]=3 107 B9R1.13 CC(=O)C=C1CCCC1 F13249 [0,0,0,0,1,0|1,0,2]=4 108 B9R1.13 CC(=O)CC1CCCC1 N12760 [0,0,0,0,1,0|1,0,0]=2 109 B9R1.13 CC(=O)CN1CCCC1 F50500 [0,0,0,0,1,0|2,0,0]=3 110 B9R1.13 C[C@H](N)CC1CCCC1 N12947 [0,0,0,0,1,0|2,0,1]=4 111 B9R1.13 C[C@H](O)CN1CCCC1 AT24864 [0,0,0,0,1,0|2,0,1]=4 112 B9R1.13 C[C@H](O)CN1CCCC1 AT24866 [0,0,0,0,1,0|2,0,1]=4 113 B9R1.13 O=C(O)CC1SCCS1 AT15646 [0,0,0,0,1,0|2,0,0]=3 114 B9R1.13 O=C(O)C[C@H]1CCNC1 P11648 [0,0,0,0,1,0|1,0,0]=2 115 B9R1.13 OB(O)CC1CCCC1 A51283 [0,0,0,0,1,0|1,0,1]=3 116 B11R1.91 C=C(C)COC1CCNCC1 V10040 [0,0,0,0,0,1|3,0,0]=4 117 B11R1.91 CC(=O)CCN1CCNCC1 W15258 [0,0,0,0,0,1|3,0,0]=4 118 B11R1.91 CC(C)CNC1CCCCC1 93651 [0,0,0,0,0,1|2,0,1]=4 119 B11R1.91 NC(=O)COC1CCNCC1 77435 [0,0,0,0,0,1|2,0,0]=3 120 B11R1.91 O=C(O)CC[C@H]1CCCCN1 70380 [0,0,0,0,0,1|1,0,0]=2 121 B11R1.91 O=C(O)CNC1CCCCC1 W15240 [0,0,0,0,0,1|0,0,0]=1 122 B11R1.91 O=C(O)\C=N\N1CCCCC1 E72490 [0,0,0,0,0,1|1,0,1]=3 123 B11R1.742 NC(=O)CN1CCCNCC1 D87056 [0,0,0,0,0,1|2,0,0]=3 124 B11R1.742 O=C(O)C[C@H]1CCCNCC1 AT11731 [0,0,0,0,0,1|0,0,0]=1 125 B8R0.4 CNCCCCCCO AT11159 [1,0,1,0,0,0|1,0,1]=4 126 B8R0.4 NCCCCCCCO AT22494 [1,0,1,0,0,0|1,0,1]=4 127 B8R0.7 CCCCC#CC(=O)O T71801 [1,0,1,0,0,0|0,0,2]=4 128 B8R0.7 CCCCNCC(=O)O D87235 [1,0,1,0,0,0|1,0,0]=3 129 B8R0.7 NC(=O)CCCCCO AC6170 [1,0,1,0,0,0|2,0,0]=4 130 B8R0.7 O=C(O)CCOCCBr C70446 [1,0,1,0,0,0|2,0,0]=4 131 B8R0.7 O=C(O)CCOCCO C70447 [1,0,1,0,0,0|2,0,0]=4 132 B8R0.7 [2H][C@H](O)CCCCCC D99646 [1,0,1,0,0,0|1,0,1]=4 133 B8R0.1 CCCC[C@H](N)CCO D73273 [1,0,1,0,0,0|1,0,1]=4 134 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [1,0,1,0,0,0|2,0,0]=4 135 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [1,0,1,0,0,0|1,0,0]=3 136 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [1,0,1,0,0,0|1,0,0]=3 137 B8R0.22 CCC[C@H](CC)CNN AC5378 [1,0,1,0,0,0|2,0,0]=4 138 B8R1.2 BrCC1CCNCC1 30601 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.2 CC[C@H]1CCCCN1 N11156 [2,0,0,0,0,0|1,0,1]=4 140 B8R1.2 CNC1CCCCC1 S12279 [2,0,0,0,0,0|1,0,1]=4 141 B8R1.2 ICC1CCNCC1 AC3914 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.2 O=CC1CCNCC1 62056 [2,0,0,0,0,0|1,0,0]=3 143 B8R1.2 OC[C@H]1CNCCN1 I11797 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.2 OC[C@H]1COCCO1 D82528 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.2 SCC1CCOCC1 P16932 [2,0,0,0,0,0|1,1,0]=4 146 B10R0.4 CCCCCC\C=C\C(=O)O A11728 [0,1,1,0,0,0|0,0,1]=3 147 B10R0.4 O=C(O)COCCOCCBr C90635 [0,1,1,0,0,0|2,0,0]=4 148 B10R0.4 O=C(O)COCCOCCCl D71995 [0,1,1,0,0,0|2,0,0]=4 149 B10R0.6 CCCCC[C@H](N)CC(=O)O D88166 [0,1,1,0,0,0|0,0,0]=2 150 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10271 [0,1,1,0,0,0|1,0,0]=3 151 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10272 [0,1,1,0,0,0|1,0,0]=3 152 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10302 [0,1,1,0,0,0|1,0,0]=3 153 B10R0.22 [2H]C([2H])(O)CCCCCCC D98285 [0,1,1,0,0,0|1,0,1]=4 154 B10R0.74 CCCCCCC[C@H](O)CO T72466 [0,1,1,0,0,0|0,0,2]=4 155 B10R0.74 COC(=O)CCCCCC=O A51072 [0,1,1,0,0,0|1,0,1]=4 156 B10R0.74 COC(=O)CCCCCCN F19219 [0,1,1,0,0,0|1,0,0]=3 157 B10R0.44 CC[C@H](C)C\C(C)=C\C(=O)O C15343 [0,1,1,0,0,0|0,0,2]=4 158 B10R0.70 C=C(C)C[C@H](CN)CC(=O)O F19500 [0,1,1,0,0,0|1,0,1]=4 159 B10R0.70 CC(C)C[C@H](C#N)CC(=O)O 88655 [0,1,1,0,0,0|1,0,1]=4 160 B10R0.70 CC(C)C[C@H](CN)CC(=O)O C14860 [0,1,1,0,0,0|1,0,0]=3 161 B10R0.79 CCOC(CC(N)=O)OCC 81949 [0,1,1,0,0,0|2,0,0]=4 162 B10R1.1 CCCC1CCC(N)CC1 T71534 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.1 NCCC1CCC(N)CC1 D88527 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.15 N=C(NO)C1CCCCC1 91925 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.15 N[C@@H](CO)C1CCCCC1 N11205 [1,1,0,0,0,0|0,0,1]=3 166 B10R1.15 O=C[C@@H](F)C1CCOCC1 C93349 [1,1,0,0,0,0|1,0,0]=3 167 B10R1.15 OC[C@H](F)C1CCOCC1 C93350 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.17 CNCCC1CCCCC1 P10203 [1,1,0,0,0,0|1,0,1]=4 169 B10R1.17 COCC[C@H]1CCCCN1 32735 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.17 O=CCO[C@@H]1CCCCO1 C16249 [1,1,0,0,0,0|1,0,0]=3 171 B10R1.17 OCCCC1CCNCC1 I11792 [1,1,0,0,0,0|1,0,1]=4 172 B10R1.377 NC1(CCO)CCCCC1 F51933 [1,1,0,0,0,0|0,0,1]=3 173 B10R1.13 CC(=O)C1CCC(=O)CC1 F53160 [0,1,0,0,1,0|1,0,1]=4 174 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)CN1 C90710 [0,1,0,0,1,0|1,0,0]=3 175 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CN1 F18655 [0,1,0,0,1,0|1,0,0]=3 176 B10R1.13 NC(=O)C1CCC(O)CC1 P18990 [0,1,0,0,1,0|1,0,0]=3 177 B10R1.13 NC(=O)N1CCC(N)CC1 AT22994 [0,1,0,0,1,0|2,0,0]=4 178 B10R1.13 NC(=O)N1CCC(O)CC1 AT22996 [0,1,0,0,1,0|2,0,0]=4 179 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 P10634 [0,1,0,0,1,0|1,0,1]=4 180 B10R1.28 C[Si](O)(O)C1CCCCC1 A11363 [0,1,0,0,1,0|0,1,1]=4 181 B10R1.28 NS(=O)(=O)C1CCCCC1 C74252 [0,1,0,0,1,0|1,0,1]=4 182 B10R1.28 O=S(=O)(F)C1CCCCC1 AT20708 [0,1,0,0,1,0|1,0,1]=4 183 B10R1.61 CC1CCCCC1B(O)O D96319 [0,1,0,0,1,0|1,0,1]=4 184 B10R1.61 CC1CNCCC1C(=O)O 33568 [0,1,0,0,1,0|1,0,0]=3 185 B10R1.61 CN1CCNC[C@H]1C(=O)O C14452 [0,1,0,0,1,0|2,0,0]=4 186 B10R1.61 CN1CCNC[C@H]1C(=O)O F13276 [0,1,0,0,1,0|2,0,0]=4 187 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O 92901 [0,1,0,0,1,0|1,0,0]=3 188 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O AT11559 [0,1,0,0,1,0|1,0,0]=3 189 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O AT23064 [0,1,0,0,1,0|1,0,0]=3 190 B10R1.61 C[C@H]1CCCC=C1C(=O)O AT26703 [0,1,0,0,1,0|0,0,2]=4 191 B10R1.61 NC(=O)C1CCCCC1N AT21040 [0,1,0,0,1,0|1,0,0]=3 192 B10R1.61 NC1CCCCC1C(=O)O 71292 [0,1,0,0,1,0|0,0,0]=2 193 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O AT19404 [0,1,0,0,1,0|1,0,0]=3 194 B10R1.113 CC(=O)N1CCC[C@H](N)C1 C14349 [0,1,0,0,1,0|2,0,0]=4 195 B10R1.113 CC(=O)N1CCC[C@H](O)C1 AB7340 [0,1,0,0,1,0|2,0,0]=4 196 B10R1.113 CC(=O)N1CCC[C@H](O)C1 C16296 [0,1,0,0,1,0|2,0,0]=4 197 B10R1.113 CC(=O)N1CCC[C@H](O)C1 F17732 [0,1,0,0,1,0|2,0,0]=4 198 B10R1.113 CC1CC(C(=O)O)CCN1 88368 [0,1,0,0,1,0|1,0,0]=3 199 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB2925 [0,1,0,0,1,0|2,0,0]=4 200 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17615 [0,1,0,0,1,0|2,0,0]=4 201 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18898 [0,1,0,0,1,0|2,0,0]=4 202 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18902 [0,1,0,0,1,0|2,0,0]=4 203 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P11798 [0,1,0,0,1,0|0,0,0]=2 204 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 70893 [0,1,0,0,1,0|1,0,1]=4 205 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 C14251 [0,1,0,0,1,0|1,0,1]=4 206 B10R1.363 CC(=O)C1(C)CCNCC1 E71837 [0,1,0,0,1,0|2,0,0]=4 207 B10R1.363 CC1(C(N)=O)CCNCC1 F13744 [0,1,0,0,1,0|2,0,0]=4 208 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 29585 [0,1,0,0,1,0|1,0,0]=3 209 B10R1.363 NC1(C(=O)O)CCCCC1 I11975 [0,1,0,0,1,0|0,0,0]=2 210 B10R1.363 NC1(C(=O)O)CCSCC1 F30382 [0,1,0,0,1,0|1,0,0]=3 211 B10R1.363 O=C(O)C1(F)CCNCC1 D75180 [0,1,0,0,1,0|1,0,0]=3 212 B10R1.363 O=C(O)C1(O)CCNCC1 C80061 [0,1,0,0,1,0|1,0,0]=3 213 B10R1.363 O=C(O)[C@]1(F)CCCNC1 AT26792 [0,1,0,0,1,0|1,0,0]=3 214 B10R1.363 O=C(O)[C@]1(O)CCCNC1 F53431 [0,1,0,0,1,0|1,0,0]=3 215 B10R1.363 O=C(O)[C@]1(O)CCCNC1 F53597 [0,1,0,0,1,0|1,0,0]=3 216 B10R1.363 [2H]C1(C(=O)O)CCCCC1 D99315 [0,1,0,0,1,0|0,0,0]=2 217 B10R1.27 COC(=O)C[C@H]1CCCN1 D78493 [0,1,0,0,1,0|1,0,0]=3 218 B10R1.27 COC(=O)C[C@H]1CCCO1 F52226 [0,1,0,0,1,0|1,0,0]=3 219 B10R1.27 COC(=O)C[C@H]1CCOC1 D76458 [0,1,0,0,1,0|1,0,0]=3 220 B10R1.54 CC(=O)O[C@H]1CC[C@H](N)C1 C93262 [0,1,0,0,1,0|2,0,0]=4 221 B10R1.54 CN1CC[C@H](CC(=O)O)C1 C77745 [0,1,0,0,1,0|1,0,0]=3 222 B10R1.54 O=C(O)CC1CCC(O)C1 AT26924 [0,1,0,0,1,0|0,0,0]=2 223 B10R1.54 O=C(O)CN1CCC(=O)C1 W10201 [0,1,0,0,1,0|1,0,1]=4 224 B10R1.54 O=C(O)CN1CC[C@H](O)C1 S11123 [0,1,0,0,1,0|1,0,0]=3 225 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 88864 [0,1,0,0,1,0|0,0,1]=3 226 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 AT18840 [0,1,0,0,1,0|1,0,1]=4 227 B10R1.54 O=C(O)C[C@H]1C[C@H](O)CN1 FD10331 [0,1,0,0,1,0|1,0,0]=3 228 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50240 [0,1,0,0,1,0|2,0,0]=4 229 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50307 [0,1,0,0,1,0|2,0,0]=4 230 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50425 [0,1,0,0,1,0|2,0,0]=4 231 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O AC4019 [0,1,0,0,1,0|2,0,0]=4 232 B10R1.64 O=C(O)C[C@H]1CCNC1=O AT19070 [0,1,0,0,1,0|1,0,1]=4 233 B12R1.21 CN1CCN(CCC(=O)O)CC1 AC6804 [0,1,0,0,0,1|2,0,0]=4 234 B12R1.27 CNC(=O)COC1CCNCC1 77455 [0,1,0,0,0,1|2,0,0]=4 235 B12R1.27 COC(=O)CCN1CCCCC1 63638 [0,1,0,0,0,1|1,0,0]=3 236 B12R1.43 CC(=O)N(C)CC1CCNCC1 P15178 [0,1,0,0,0,1|2,0,0]=4 237 B12R1.43 C[C@H](OC1CCCCC1)C(=O)O 78379 [0,1,0,0,0,1|0,0,0]=2 238 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O 90704 [0,1,0,0,0,1|1,0,0]=3 239 B12R1.43 O=C(O)[C@@H](O)CC1CCCCC1 AT24789 [0,1,0,0,0,1|0,0,0]=2 240 B12R1.43 O=C(O)[C@@H](O)CC1CCOCC1 89282 [0,1,0,0,0,1|1,0,0]=3 241 B12R1.4 CCN1CCC(CC(=O)O)CC1 F20911 [0,2,0,0,0,0|1,0,0]=3 242 B12R1.20 C[C@@H](C(=O)O)N1CCN(C)CC1 P20026 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.20 C[C@@H](C(=O)O)N1CCN(C)CC1 W16127 [0,2,0,0,0,0|2,0,0]=4 244 B12R1.20 C[C@@H](C(=O)O)N1CCN(C)CC1 W16128 [0,2,0,0,0,0|2,0,0]=4 245 B12R1.20 C[C@@H](C(=O)O)N1CCN(C)CC1 W16129 [0,2,0,0,0,0|2,0,0]=4 246 B12R1.49 COC(=O)CC1CCC(=O)CC1 AB9774 [0,2,0,0,0,0|0,0,1]=3 247 B12R1.49 COC(=O)CC1CCC(N)CC1 AT26681 [0,2,0,0,0,0|0,0,0]=2 248 B12R1.49 COC(=O)CN1CCC(=O)CC1 C77648 [0,2,0,0,0,0|1,0,1]=4 249 B12R1.49 COC(=O)CN1CCC(N)CC1 C78556 [0,2,0,0,0,0|1,0,0]=3 250 B12R1.34 COC(=O)[C@@H](Br)C1CCCCC1 C78328 [0,2,0,0,0,0|0,0,0]=2 251 B12R1.34 COC(=O)[C@@H](C)C1CCCCC1 F14171 [0,2,0,0,0,0|0,0,0]=2 252 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 F31386 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.34 COC(=O)[C@@H](N)C1CCSCC1 31881 [0,2,0,0,0,0|1,0,0]=3 254 B12R1.124 CC1CCCCN1C(C)C(=O)O C80064 [0,2,0,0,0,0|1,0,0]=3 255 B12R1.225 CC1CCCC(C(N)C(=O)O)C1 33415 [0,2,0,0,0,0|0,0,0]=2 256 B12R1.253 CC(C)(C(=O)O)N1CCOCC1 89554 [0,2,0,0,0,0|2,0,0]=4 257 B12R1.253 CC(C)(C(=O)O)N1CCOCC1 AT23482 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.253 CC(C)(C(N)=O)C1CCNCC1 CS2118 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.50 COC(=O)CC1CNCC(C)C1 P18963 [0,2,0,0,0,0|1,0,0]=3 260 B12R1.50 COC(=O)CC1CNCC(C)O1 F18894 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.50 COC(=O)C[C@H]1CCCC(=O)C1 97097 [0,2,0,0,0,0|0,0,1]=3 262 B12R1.50 COC(=O)C[C@H]1CCCC(=O)C1 97100 [0,2,0,0,0,0|0,0,1]=3 263 B12R1.50 COC(=O)C[C@H]1CCCC(=O)C1 AC5799 [0,2,0,0,0,0|0,0,1]=3 264 B12R1.50 COC(=O)C[C@H]1CN(C)CCO1 F18923 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.371 COC(=O)C[C@H]1CCCCC1=O AT25972 [0,2,0,0,0,0|0,0,1]=3 266 B12R1.3524 COC(=O)CC1(N)CCCCC1 63918 [0,2,0,0,0,0|0,0,0]=2 267 B12R1.3524 COC(=O)CC1(N)CCOCC1 63922 [0,2,0,0,0,0|1,0,0]=3 268 B12R1.391 O=C(O)CN1CCCCS1(=O)=O D77941 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.3862 N#CC1(CC(=O)O)CCCCC1 A11311 [0,2,0,0,0,0|0,0,0]=2 270 B12R1.3862 N#CC1(CC(=O)[O-])CCCCC1 O12045 [0,2,0,0,0,0|0,0,1]=3 271 B12R1.3862 NCC1(CC(=O)O)CCCCC1 A12679 [0,2,0,0,0,0|0,0,0]=2 272 B10R1.39 CCN1CCC[C@H]1C(N)=O T72395 [0,0,1,1,0,0|2,0,0]=4 273 B10R1.66 NC(=O)COC1CCCC1 AC6964 [0,0,1,1,0,0|2,0,0]=4 274 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [0,0,1,1,0,0|1,0,0]=3 275 B10R1.348 O=C(O)[C@H]1CCCNCC1 98343 [0,0,1,1,0,0|1,0,0]=3 276 B10R2.7 C1CC2CCOC2CN1 W19472 [1,0,0,1,0,0|1,0,1]=4 277 B10R2.7 C1CC[C@@H]2CCC[C@@H]2C1 T72488 [1,0,0,1,0,0|1,0,1]=4 278 B10R2.7 C1CC[C@@H]2CCC[C@H]2C1 T72307 [1,0,0,1,0,0|1,0,1]=4 279 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 P15058 [1,0,0,1,0,0|1,0,1]=4 280 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 P15059 [1,0,0,1,0,0|1,0,1]=4 281 B10R2.160 OCC1C2CNCC1C2 P13378 [1,0,0,1,0,0|1,0,1]=4 282 B10R2.320 O=C1NC2CCCCC12 F18199 [1,0,0,1,0,0|1,0,0]=3 283 B10R2.408 C1CC2CNCC(C1)C2 32763 [1,0,0,1,0,0|2,0,0]=4 284 B10R2.484 C1CCC2(CC1)CNC2 P11103 [1,0,0,1,0,0|2,0,0]=4 285 B10R2.484 C1CCC2(CC1)COC2 F52388 [1,0,0,1,0,0|2,0,0]=4 286 B10R2.351 NC(=O)[C@@H]1[C@H]2CNC[C@H]21 P16706 [0,0,0,1,1,0|2,0,0]=4 287 B10R2.351 O=C(O)[C@@H]1[C@H]2CNC[C@H]21 P11053 [0,0,0,1,1,0|1,0,0]=3 288 B10R2.351 O=C(O)[C@H]1[C@H]2CNC[C@H]21 P14891 [0,0,0,1,1,0|1,0,0]=3 289 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 P10629 [0,0,0,1,1,0|1,0,0]=3 290 B10R2.2 O=C1CC2CCOC2O1 D74390 [0,0,0,1,1,0|1,0,0]=3 291 B10R2.71 OC1CC2CCC(C1)C2 54788 [0,0,0,1,1,0|1,0,1]=4 292 B10R2.316 O=C1CC2(CCCC2)N1 P12755 [0,0,0,1,1,0|1,0,0]=3 293 B12R2.22 O=C1CC(C2CCCCC2)C1 D88177 [0,0,0,1,0,1|1,0,0]=3 294 B12R2.24 O=C1CNC2CCCCC2N1 F14272 [0,0,0,1,0,1|1,0,0]=3 295 B12R2.24 O=C1CO[C@H]2CCNC[C@H]2N1 AT12714 [0,0,0,1,0,1|2,0,0]=4 296 B12R2.24 O=C1CO[C@H]2CCNC[C@H]2N1 AT21907 [0,0,0,1,0,1|2,0,0]=4 297 B12R2.24 O=C1N[C@H]2CNCC[C@@H]2CO1 C77532 [0,0,0,1,0,1|2,0,0]=4 298 B12R2.250 O=C(O)[C@H]1CC12CCSCC2 D73473 [0,0,0,1,0,1|1,0,0]=3 299 B12R2.1392 CC(=O)[C@H]1CC2CCC1CC2 C74225 [0,0,0,1,0,1|1,0,0]=3 300 B12R2.2918 O=C1CCC2(CCNCC2)N1 AT19051 [0,0,0,1,0,1|2,0,0]=4 301 B12R2.2918 O=C1COC2(CCNCC2)C1 27573 [0,0,0,1,0,1|2,0,0]=4 302 B12R2.2918 O=C1COC2(CCNCC2)N1 F30677 [0,0,0,1,0,1|2,0,0]=4 303 B12R2.2918 O=C1NCC2(CCNCC2)O1 D74957 [0,0,0,1,0,1|1,0,0]=3 304 B12R2.1209 CN1CCC2(CC1)CC(=O)C2 P20093 [0,1,0,1,0,0|2,0,0]=4 305 B12R2.1661 O=C(O)CC1CC2CCC1C2 E72871 [0,1,0,1,0,0|0,0,0]=2 306 B12R2.2899 O=C1CC2CC(=O)CC(C1)C2 CS1011 [0,1,0,1,0,0|1,0,1]=4 307 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [0,0,1,0,1,0|2,0,0]=4 308 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [0,0,1,0,1,0|2,0,0]=4 309 B8R0.15 CCC[C@H](NC)C(=O)O AT16735 [0,0,1,0,1,0|1,0,0]=3 310 B8R0.15 CCC[C@H](NC)C(=O)O C15224 [0,0,1,0,1,0|1,0,0]=3 311 B8R0.15 CCC[C@H](OC)C(=O)O AC8429 [0,0,1,0,1,0|1,0,0]=3 312 B8R0.15 CCO[C@@H](CC)C(=O)O AC6373 [0,0,1,0,1,0|1,0,0]=3 313 B8R0.15 CN[C@@H](COC)C(=O)O AT12797 [0,0,1,0,1,0|2,0,0]=4 314 B8R1.8 C=CC[C@H]1CCCN1 N15483 [1,0,0,0,1,0|2,0,0]=4 315 B8R1.8 CNCC1CCCC1 A11546 [1,0,0,0,1,0|2,0,0]=4 316 B8R1.8 NCCC1CCCC1 23497 [1,0,0,0,1,0|1,0,1]=4 317 B8R1.8 O=CCN1CCCC1 AC9721 [1,0,0,0,1,0|1,0,0]=3 318 B8R1.8 OCC[C@H]1CCCO1 56770 [1,0,0,0,1,0|1,0,1]=4 319 B8R1.8 OCC[C@H]1CCNC1 C16745 [1,0,0,0,1,0|1,0,1]=4 320 B8R1.8 OCC[C@H]1CCNC1 D84329 [1,0,0,0,1,0|1,0,1]=4 321 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [0,0,0,0,2,0|2,0,0]=4 322 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [0,0,0,0,2,0|2,0,0]=4 323 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [0,0,0,0,2,0|2,0,0]=4 324 B8R1.7 N=C(N)C1CCCC1 71790 [0,0,0,0,2,0|2,0,0]=4 325 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [0,0,0,0,2,0|2,0,0]=4 326 B8R1.7 NC(=S)C1CCCC1 N13298 [0,0,0,0,2,0|1,1,0]=4 327 B8R1.7 O=C(Cl)[C@H]1CCOC1 A12769 [0,0,0,0,2,0|2,0,0]=4 328 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [0,0,0,0,2,0|1,0,0]=3 329 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [0,0,0,0,2,0|1,0,0]=3 330 B8R1.7 O=C(O)[C@@H]1CCNO1 AT14856 [0,0,0,0,2,0|2,0,0]=4 331 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [0,0,0,0,2,0|1,0,0]=3 332 B8R1.34 O=C(O)CC1CNC1 A50755 [0,0,0,0,2,0|1,0,0]=3 333 B8R1.34 O=C(O)CC1CNC1 P10897 [0,0,0,0,2,0|1,0,0]=3 334 B10R1.85 OCCC1CCCCCC1 E10088 [1,0,0,0,0,1|0,0,1]=3 335 B12R1.252 O=C(O)\C=C\CN1CCCCC1 79961 [0,0,0,0,0,2|1,0,0]=3