0 B8R1.22 N[C@@H]1CCCCNC1 X9610 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.22 O=C1CCCCCN1 X5632 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.22 O=S1CCCNCC1 1742AA [0,0,0,0,0,0|3,0,0]=3 3 B7R1.24 C1=CCCCC=C1 5492AB [1,0,0,0,0,0|1,0,2]=4 4 B7R1.24 C1CNOCCN1 9264AH [1,0,0,0,0,0|2,0,0]=3 5 B9R1.5 O=C1CCCCCC1Br 9448AE [0,1,0,0,0,0|1,0,0]=2 6 B9R1.89 N#CC1CCCCCC1 3690AB [0,1,0,0,0,0|2,0,1]=4 7 B9R1.89 NNC1=NCCCCN1 8718AH [0,1,0,0,0,0|2,0,0]=3 8 B9R1.89 NNC1=NCCCCN1 8719AH [0,1,0,0,0,0|2,0,0]=3 9 B7R0.1 O=CNCCNC=O 7252AF [0,0,1,0,0,0|2,0,1]=4 10 B7R0.3 C=CCOC(=O)CC 7475AF [0,0,1,0,0,0|1,0,2]=4 11 B7R0.3 CCCCC(N)CC 7820AF [0,0,1,0,0,0|2,0,1]=4 12 B7R0.3 CCCOC(=O)CCl U589 [0,0,1,0,0,0|2,0,0]=3 13 B7R0.3 CCCOC(=O)CN 3440AL [0,0,1,0,0,0|2,0,0]=3 14 B7R0.3 CC\C=C\C(=O)OC Y2122 [0,0,1,0,0,0|1,0,2]=4 15 B7R0.3 COC(=O)CCCO 3568AL [0,0,1,0,0,0|2,0,0]=3 16 B7R0.3 C\C=C(/C)CCCC 6098AL [0,0,1,0,0,0|2,0,0]=3 17 B7R0.4 CC(=O)OCCC=O 9702AA [0,0,1,0,0,0|2,0,1]=4 18 B7R0.4 CCCCCC(C)N 5131AF [0,0,1,0,0,0|1,0,1]=3 19 B7R0.4 C\C=C\COC(C)=O 7476AF [0,0,1,0,0,0|1,0,2]=4 20 B7R0.4 NC(=O)COCCO 7275AF [0,0,1,0,0,0|2,0,0]=3 21 B7R0.4 NOCCCC(=O)O V9806 [0,0,1,0,0,0|3,0,0]=4 22 B7R0.4 N[C@@H](C)CCCCC Z2154 [0,0,1,0,0,0|1,0,1]=3 23 B7R0.7 CCCC(=S)OCC R545 [0,0,1,0,0,0|1,1,0]=3 24 B7R0.7 CCCS(=O)CCC 7566AF [0,0,1,0,0,0|2,0,0]=3 25 B7R0.7 CCNC(=O)OCC 7331AF [0,0,1,0,0,0|1,0,0]=2 26 B7R0.7 CCOC(=O)CCN 5625AC [0,0,1,0,0,0|2,0,0]=3 27 B7R0.7 O=C(CCBr)CCBr 6817AA [0,0,1,0,0,0|3,0,0]=4 28 B7R0.7 O=C(CCCl)CCCl R711 [0,0,1,0,0,0|3,0,0]=4 29 B9R2.123 BrC1C2CCCCC12 2139AA [0,0,0,1,0,0|2,0,1]=4 30 B9R2.123 CN1C2CCCCC21 B584 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.3 C=C1CCCCC1 3293AA [0,0,0,0,1,0|1,0,0]=2 32 B7R1.3 C[C@@H]1CCCCN1 W3754 [0,0,0,0,1,0|1,0,1]=3 33 B7R1.3 C[C@@H]1CCCNC1 8114AA [0,0,0,0,1,0|2,0,1]=4 34 B7R1.3 NC1=NCCSC1 8863AE [0,0,0,0,1,0|2,0,1]=4 35 B7R1.3 NC1CCCCN1 6271AB [0,0,0,0,1,0|1,0,1]=3 36 B7R1.3 NC1CCSCC1 V4406 [0,0,0,0,1,0|2,0,1]=4 37 B7R1.3 NN1CCNCC1 Y3154 [0,0,0,0,1,0|3,0,0]=4 38 B7R1.3 N[C@@H]1CCCOC1 X8827 [0,0,0,0,1,0|2,0,1]=4 39 B7R1.3 N[C@H]1CCCOC1 X6276 [0,0,0,0,1,0|2,0,1]=4 40 B7R1.3 O=C1CCCNC1 7001AB [0,0,0,0,1,0|1,0,0]=2 41 B7R1.3 O=S1CCCCC1 V2389 [0,0,0,0,1,0|1,0,0]=2 42 B9R1.50 BrC1CCCCCCC1 7949AF [0,0,0,0,0,1|2,0,1]=4 43 B9R1.50 S=C1CCCCCCN1 Z3084 [0,0,0,0,0,1|0,1,0]=2 44 B6R0.6 CCCCCCF 7535AF [1,0,1,0,0,0|1,0,1]=4 45 B6R0.1 CCCC(N)CC 7574AF [1,0,1,0,0,0|1,0,1]=4 46 B6R0.1 CCOC(=O)CF C411 [1,0,1,0,0,0|2,0,0]=4 47 B6R0.1 COC(=O)CCN 5700AB [1,0,1,0,0,0|2,0,0]=4 48 B6R0.4 CC\C=C\C(C)=O Y8265 [1,0,1,0,0,0|0,0,2]=4 49 B8R0.4 CCCCCC\C=N\O X6225 [0,1,1,0,0,0|1,0,1]=4 50 B8R0.4 CCNCCCNCC 0237AA [0,1,1,0,0,0|1,0,1]=4 51 B8R0.4 NCCCCNCCN L714 [0,1,1,0,0,0|1,0,1]=4 52 B8R0.6 CCCCOC(=O)C=O 3194AL [0,1,1,0,0,0|2,0,0]=4 53 B8R0.7 NCCCCCC(=O)Cl Y1672 [0,1,1,0,0,0|0,0,0]=2 54 B8R0.3 CCNC(C)C(=O)OC 4206AJ [0,1,1,0,0,0|2,0,0]=4 55 B8R0.5 CCCC(=O)CC(C)=O 3453AL [0,1,1,0,0,0|1,0,1]=4 56 B8R0.5 CCCC(C)OC(C)=O 1658AL [0,1,1,0,0,0|1,0,0]=3 57 B8R0.28 CC(C)COCC(=O)O 8143AD [0,1,1,0,0,0|2,0,0]=4 58 B8R0.28 CN(C)CCCC(=O)O Y1714 [0,1,1,0,0,0|2,0,0]=4 59 B8R1.2 CCC1=NCCCC1 Y7557 [0,1,0,0,1,0|1,0,1]=4 60 B8R1.2 CC[C@H]1CCCCN1 1287AL [0,1,0,0,1,0|1,0,1]=4 61 B8R1.2 ClCC1CCCCC1 2451AB [0,1,0,0,1,0|1,0,1]=4 62 B8R1.2 ClCC1CCCCN1 2061AL [0,1,0,0,1,0|1,0,1]=4 63 B8R1.2 ICC1CCCCN1 Z2411 [0,1,0,0,1,0|1,0,1]=4 64 B8R1.2 NNC1=NCCCN1 6639AD [0,1,0,0,1,0|2,0,0]=4 65 B8R1.2 NNC1CCCCC1 7551AF [0,1,0,0,1,0|1,0,1]=4 66 B8R1.2 O=CC1CCCCN1 Z3377 [0,1,0,0,1,0|0,0,1]=3 67 B8R1.3 BrC1CCC(Br)CC1 7452AF [0,1,0,0,1,0|1,0,1]=4 68 B8R1.3 CC1CCN(N)CC1 4385AJ [0,1,0,0,1,0|2,0,0]=4 69 B8R1.3 CN1CCC(O)CC1 4721AH [0,1,0,0,1,0|2,0,0]=4 70 B8R1.3 C[C@@H]1CC[C@@H](C)NC1 3626AB [0,1,0,0,1,0|1,0,1]=4 71 B8R1.3 NC1CCC(=O)CC1 X7969 [0,1,0,0,1,0|0,0,0]=2 72 B8R1.3 O[C@H]1CC[C@H](S)CC1 7455AE [0,1,0,0,1,0|0,0,2]=4 73 B8R1.4 CC1=CC(O)CCC1 X4463 [0,1,0,0,1,0|1,0,1]=4 74 B8R1.4 CC1CCOC(=O)C1 2149AA [0,1,0,0,1,0|1,0,0]=3 75 B8R1.4 CN1CCCC(N)C1 Z2680 [0,1,0,0,1,0|2,0,0]=4 76 B8R1.4 CN1CCCC(O)C1 L535 [0,1,0,0,1,0|2,0,0]=4 77 B8R1.4 C[C@H]1CNCC(=O)N1 7823AA [0,1,0,0,1,0|1,0,0]=3 78 B8R1.4 NC1CCCC(=O)C1 7456AA [0,1,0,0,1,0|0,0,0]=2 79 B8R1.4 NC1CCCC(=O)C1 V9436 [0,1,0,0,1,0|0,0,0]=2 80 B8R1.4 NC1CCNC(=O)C1 V1291 [0,1,0,0,1,0|0,0,0]=2 81 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 8375AH [0,1,0,0,1,0|0,0,2]=4 82 B8R1.4 N[C@@H]1CCC[C@H](O)C1 8415AH [0,1,0,0,1,0|0,0,2]=4 83 B8R1.4 N[C@H]1CCC[C@@H](O)C1 3937AJ [0,1,0,0,1,0|0,0,2]=4 84 B8R1.4 N[C@H]1CCC[C@@H](O)C1 X6750 [0,1,0,0,1,0|0,0,2]=4 85 B8R1.4 O=C1CNCC(=O)C1 4461AJ [0,1,0,0,1,0|1,0,1]=4 86 B8R1.5 CC1CCNCC1=O 2896AJ [0,1,0,0,1,0|1,0,0]=3 87 B8R1.5 C[C@@H]1CCCC[C@H]1N M973 [0,1,0,0,1,0|1,0,1]=4 88 B8R1.5 C[C@H]1CCCC[C@H]1N 3932AJ [0,1,0,0,1,0|1,0,1]=4 89 B8R1.5 N[C@H]1CCCC[C@@H]1N 8198AH [0,1,0,0,1,0|1,0,1]=4 90 B8R1.5 O=C1CCOCC1Br 4586AF [0,1,0,0,1,0|1,0,0]=3 91 B8R1.5 O=C1CCOCC1Cl 2253AJ [0,1,0,0,1,0|1,0,0]=3 92 B8R1.5 O[C@@H]1CCCC[C@H]1I 9141AJ [0,1,0,0,1,0|0,0,2]=4 93 B8R1.72 CC1(C)CCCCN1 1327AJ [0,1,0,0,1,0|1,0,1]=4 94 B8R1.72 C[Si]1(C)CCCCC1 7819AF [0,1,0,0,1,0|1,1,0]=4 95 B8R1.72 Cl[Si]1(Cl)CCCCC1 7312AF [0,1,0,0,1,0|1,1,0]=4 96 B8R1.72 FC1(F)CCCCC1 1844AE [0,1,0,0,1,0|1,0,1]=4 97 B8R1.12 [C@@H]1(CN)CC[C@H]1CN 9751AJ [0,0,1,1,0,0|1,0,1]=4 98 B8R1.1 O=C1C[C@H](CF)CO1 2632AC [0,0,1,1,0,0|2,0,0]=4 99 B8R1.50 CC1CCC(=O)N1C 0337AQ [0,0,1,1,0,0|0,0,0]=2 100 B8R1.7 CC(=O)C1CCCN1 1442AJ [0,0,1,1,0,0|2,0,0]=4 101 B8R1.7 CC(C)N1CCCC1 5860AD [0,0,1,1,0,0|1,0,1]=4 102 B8R1.7 C[C@@H](N)C1CCCC1 8945AH [0,0,1,1,0,0|1,0,1]=4 103 B8R1.7 N=C(N)N1CCCC1 Y6826 [0,0,1,1,0,0|2,0,0]=4 104 B8R1.34 O=C(O)CC1CNC1 9588AA [0,0,1,1,0,0|2,0,0]=4 105 B8R2.25 C1CCC2SC2C1 7489AF [1,0,0,1,0,0|1,0,1]=4 106 B8R2.34 C1CC2CCC1N2 2690AB [0,0,0,1,1,0|1,0,1]=4 107 B10R2.2 O=C1NC2=C(CCC2)S1 5822AE [0,0,0,1,0,1|0,0,2]=4 108 B10R2.32 [C@@H]12C=CCN1C(=O)OC2 5840AE [0,0,0,1,0,1|0,0,2]=4 109 B10R2.61 O=C1NC2CCCN1C2 X4625 [0,1,0,1,0,0|1,0,0]=3 110 B10R2.178 [C@@H]12CC[C@@H](O1)C(=S)NC2 3533AD [0,1,0,1,0,0|0,1,0]=3 111 B6R1.1 C1=CCCCC1 6616AH [1,0,0,0,1,0|0,0,1]=3 112 B6R1.1 C1CCNCC1 X3730 [1,0,0,0,1,0|0,0,0]=2 113 B6R1.1 C1CNCCN1 7642AH [1,0,0,0,1,0|1,0,0]=3 114 B6R1.1 C1CNCCN1 W0060 [1,0,0,0,1,0|1,0,0]=3 115 B6R1.2 NC1CCCC1 0142AP [0,0,0,0,2,0|1,0,1]=4 116 B6R1.2 NN1CCCC1 9623AB [0,0,0,0,2,0|2,0,0]=4 117 B6R1.2 O=C1CC=CN1 2602AB [0,0,0,0,2,0|0,0,2]=4 118 B6R1.2 O=C1CCNC1 R079 [0,0,0,0,2,0|1,0,0]=3