0 B8R0.1 C=CCNC(=O)CCCl 8322AC [0,0,0,0,0,0|3,0,0]=3 1 B8R0.1 C=CCNC(=O)CCN 2213AD [0,0,0,0,0,0|3,0,0]=3 2 B8R0.1 C=CCNC(=O)CNC 2215AD [0,0,0,0,0,0|3,0,0]=3 3 B8R0.1 CCCCC(=O)CCC 8758AB [0,0,0,0,0,0|1,0,2]=3 4 B8R0.1 CCOC(=O)CCOC 6085AL [0,0,0,0,0,0|1,0,1]=2 5 B8R0.1 CCOC(=O)\C=C/C#N 5510AB [0,0,0,0,0,0|1,0,3]=4 6 B8R0.1 C\C=C\C(=O)CCCC 5771AL [0,0,0,0,0,0|1,0,3]=4 7 B7R0.1 C=CCCCCCCl 5718AC [1,0,0,0,0,0|2,0,1]=4 8 B7R0.1 C=CCOCCCC 7029AL [1,0,0,0,0,0|2,0,1]=4 9 B7R0.1 CC\C=C\CCCC 9221AL [1,0,0,0,0,0|1,0,2]=4 10 B7R0.3 C=C(CC)CCCC 5608AL [1,0,0,0,0,0|1,0,2]=4 11 B7R0.3 C=CCCC(=O)OC 0026AQ [1,0,0,0,0,0|0,0,0]=1 12 B7R0.3 C=CCNC(=O)CN 2048AD [1,0,0,0,0,0|2,0,0]=3 13 B7R0.3 C=CCOC(=O)C=C 7691AF [1,0,0,0,0,0|1,0,2]=4 14 B7R0.3 CCC(=O)NCCN 3366AF [1,0,0,0,0,0|2,0,1]=4 15 B7R0.3 CCC(=O)NCCO 8325AL [1,0,0,0,0,0|2,0,1]=4 16 B7R0.3 CCNCC(=O)OC 2143AA [1,0,0,0,0,0|1,0,2]=4 17 B7R0.3 CCNCC(=O)OC 2988AC [1,0,0,0,0,0|1,0,2]=4 18 B7R0.3 CNC(=O)CCCN 5583AD [1,0,0,0,0,0|2,0,1]=4 19 B7R0.3 CNCCC(=O)NC 4515AE [1,0,0,0,0,0|2,0,1]=4 20 B7R0.3 CNCCC(=O)NC 5845AE [1,0,0,0,0,0|2,0,1]=4 21 B7R0.3 CNCCC(=O)OC 1857AB [1,0,0,0,0,0|1,0,1]=3 22 B7R0.3 CNCCC(=O)OC X3419 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.3 COC(=N)CCCCl 2164AC [1,0,0,0,0,0|2,0,1]=4 24 B7R0.3 COC(=O)CCC=O W3030 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.3 COC(=O)CCCS X9990 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.3 C\C=C\CC(=O)OC 9761AJ [1,0,0,0,0,0|0,0,2]=3 27 B7R0.7 C=C=CC(=O)OCC 4330AD [1,0,0,0,0,0|0,0,2]=3 28 B7R0.7 C=CCC(=O)OCC X3652 [1,0,0,0,0,0|0,0,0]=1 29 B7R0.7 C=COC(=O)\C=C\C E081 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.7 CCNC(=O)CCN 1836AD [1,0,0,0,0,0|2,0,0]=3 31 B7R0.7 CCOC(=N)CCCl 7257AD [1,0,0,0,0,0|2,0,0]=3 32 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [1,0,0,0,0,0|1,0,1]=3 33 B7R0.7 CCOC(=O)\C=C/I 7873AL [1,0,0,0,0,0|1,0,1]=3 34 B7R0.7 CCOS(=O)OCC 7113AF [1,0,0,0,0,0|2,0,1]=4 35 B9R0.4 CCCCC(=O)CC(C)C 1651AC [0,1,0,0,0,0|1,0,2]=4 36 B9R0.5 C=CCCCC(=O)OCC 5392AE [0,1,0,0,0,0|0,0,0]=1 37 B9R0.5 CCCNCC(=O)OCC 0138AP [0,1,0,0,0,0|0,0,2]=3 38 B9R0.5 CCOC(=O)CNCCN V4614 [0,1,0,0,0,0|1,0,1]=3 39 B9R0.5 CCOC(=O)N\N=C\CBr 6834AE [0,1,0,0,0,0|2,0,1]=4 40 B9R0.18 O=C(OCCCl)OCCCl 7328AL [0,1,0,0,0,0|2,0,1]=4 41 B9R0.34 CCOC(=O)C[C@H](O)CBr 6466AC [0,1,0,0,0,0|1,0,1]=3 42 B9R0.35 CCOC(=O)C(Cl)OCC 4043AB [0,1,0,0,0,0|1,0,2]=4 43 B9R0.48 CCOC(=O)CC[N+](=O)[O-] Y8858 [0,1,0,0,0,0|2,0,0]=3 44 B9R0.48 CCOC(=O)CNC(N)=O 7014AE [0,1,0,0,0,0|2,0,0]=3 45 B9R1.2 O=C1CC(CO)CCN1 5141AE [0,0,0,1,0,0|2,0,1]=4 46 B9R1.15 CCC1CCCCC1=O 6094AB [0,0,0,1,0,0|1,0,2]=4 47 B9R1.15 COC1=CCCCC1=O 1767AJ [0,0,0,1,0,0|2,0,1]=4 48 B9R1.27 CCN1C(=O)CCC1=O 8556AL [0,0,0,1,0,0|2,0,0]=3 49 B9R1.27 CCN1C(=O)COC1=S 0815AQ [0,0,0,1,0,0|3,0,0]=4 50 B9R1.27 O=C1CCC(=O)N1CO 7166AB [0,0,0,1,0,0|3,0,0]=4 51 B9R1.49 CN1CCCC(=O)CC1 W4017 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.49 O=C1CCC(=O)O[Ca]O1 7141AF [0,0,0,1,0,0|3,0,0]=4 53 B9R1.69 CC1CC(=O)CCC1O 4918AC [0,0,0,1,0,0|2,0,1]=4 54 B9R1.73 CCOC(=O)C1CCN1 1941AC [0,0,0,1,0,0|1,0,1]=3 55 B9R1.73 CCOC(=O)C1CCN1 8256AA [0,0,0,1,0,0|1,0,1]=3 56 B9R1.73 CCOC(=O)[C@@H]1CCN1 2353AC [0,0,0,1,0,0|1,0,1]=3 57 B9R1.183 CCOC(=O)C1CC1C 0688AB [0,0,0,1,0,0|0,0,2]=3 58 B9R1.183 CCOC(=O)[C@H]1C[C@H]1F 3219AL [0,0,0,1,0,0|1,0,1]=3 59 B6R0.6 C=CCCCCI 0232AQ [2,0,0,0,0,0|1,0,1]=4 60 B6R0.6 C=CCC\C=C\C 4658AL [2,0,0,0,0,0|0,0,1]=3 61 B6R0.6 C=CCSCCC R577 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.6 CCCCOCC 7302AL [2,0,0,0,0,0|0,0,2]=4 63 B6R0.6 CCOCCNC 5385AD [2,0,0,0,0,0|1,0,1]=4 64 B6R0.6 CC\C=C\CCC 9219AL [2,0,0,0,0,0|1,0,1]=4 65 B6R0.1 C#CCC(=O)OC 3698AB [2,0,0,0,0,0|0,0,2]=4 66 B6R0.1 CCC(=O)CSC K829 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.1 CCCC(=O)SC 8847AJ [2,0,0,0,0,0|0,1,1]=4 68 B6R0.1 CCNC(=O)CBr 5060AE [2,0,0,0,0,0|2,0,0]=4 69 B6R0.1 CCNC(=O)CN 8793AD [2,0,0,0,0,0|2,0,0]=4 70 B6R0.1 CCOC(=N)CC 8352AC [2,0,0,0,0,0|1,0,0]=3 71 B6R0.1 CCOC(C)CC 8956AL [2,0,0,0,0,0|1,0,1]=4 72 B6R0.1 CCSC(=O)CC 8960AL [2,0,0,0,0,0|0,1,0]=3 73 B6R0.1 CNC(=O)CCCl 2983AE [2,0,0,0,0,0|2,0,0]=4 74 B6R0.1 CNC(=O)CCO 8079AE [2,0,0,0,0,0|2,0,0]=4 75 B6R0.1 COC(=O)CCN 5700AB [2,0,0,0,0,0|1,0,0]=3 76 B6R0.1 COC(=O)\C=C/Br 6846AE [2,0,0,0,0,0|1,0,1]=4 77 B6R0.1 COC(=O)\C=C/I 6847AE [2,0,0,0,0,0|1,0,1]=4 78 B6R0.1 COC(=O)\C=C\N 1217AQ [2,0,0,0,0,0|1,0,1]=4 79 B6R0.4 C=CCCC(=C)C 5696AL [2,0,0,0,0,0|1,0,0]=3 80 B6R0.4 C=CCCC(C)C 6791AL [2,0,0,0,0,0|1,0,1]=4 81 B6R0.4 C=CCOC(N)=O 0515AQ [2,0,0,0,0,0|2,0,0]=4 82 B6R0.4 CC(=O)CCCBr W5938 [2,0,0,0,0,0|1,0,1]=4 83 B8R0.4 C=CCCCCCCC 8130AF [1,1,0,0,0,0|1,0,1]=4 84 B8R0.4 CCCCCC\C=C\I 0029AQ [1,1,0,0,0,0|1,0,1]=4 85 B8R0.4 C\C=C\CCCCCC 9212AL [1,1,0,0,0,0|1,0,1]=4 86 B8R0.3 C=CCC(N)C(=O)OC 4218AJ [1,1,0,0,0,0|0,0,0]=2 87 B8R0.3 C=CCC(N)C(=O)OC 4219AJ [1,1,0,0,0,0|0,0,0]=2 88 B8R0.3 CNCC(C)C(=O)OC Z2743 [1,1,0,0,0,0|1,0,1]=4 89 B8R0.3 COCC(Br)C(=O)OC V4873 [1,1,0,0,0,0|1,0,1]=4 90 B8R0.8 C=CCNC(=O)C(C)N 2874AD [1,1,0,0,0,0|1,0,0]=3 91 B8R0.8 C=CCOC(=O)[C@H](C)N 6180AB [1,1,0,0,0,0|1,0,0]=3 92 B8R0.8 CCCCC(=O)C(C)C 5543AA [1,1,0,0,0,0|0,0,2]=4 93 B8R0.9 CCC(=O)CCC(C)=O 8738AA [1,1,0,0,0,0|0,0,1]=3 94 B8R0.9 CCC(=O)CCC(C)C 7962AF [1,1,0,0,0,0|0,0,2]=4 95 B8R0.9 CCC(=O)COC(C)=O X5648 [1,1,0,0,0,0|1,0,1]=4 96 B8R0.9 CCC(=O)NCC(=O)O 7387AD [1,1,0,0,0,0|2,0,0]=4 97 B8R0.9 CNC(=O)CCC(=O)O 5678AE [1,1,0,0,0,0|2,0,0]=4 98 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [1,1,0,0,0,0|1,0,1]=4 99 B8R0.5 CC(C)NC(=O)CCN 9774AC [1,1,0,0,0,0|2,0,0]=4 100 B8R0.5 CCCC(=O)NC(C)C 4245AA [1,1,0,0,0,0|1,0,1]=4 101 B8R0.5 CCOC(=O)CC(C)Br 1536AC [1,1,0,0,0,0|0,0,1]=3 102 B8R0.5 CCOC(=O)NC(N)=O 7871AL [1,1,0,0,0,0|2,0,0]=4 103 B10R0.32 CCOC(=O)C(N)CC(C)C 9238AD [0,2,0,0,0,0|0,0,2]=4 104 B10R0.81 C=CCNC(=O)C(N)C(C)C 3107AD [0,2,0,0,0,0|2,0,0]=4 105 B10R0.1 C=CCNCCC(=O)OCC 3858AE [0,2,0,0,0,0|0,0,0]=2 106 B10R0.1 CCCNCCC(=O)OCC 0093AE [0,2,0,0,0,0|0,0,2]=4 107 B10R0.1 CCOC(=O)CCCN=C=S 5523AD [0,2,0,0,0,0|0,0,2]=4 108 B10R0.1 CCOC(=O)\C=C\CCCCl 3021AL [0,2,0,0,0,0|1,0,1]=4 109 B10R0.3 C=C(C)CCCC(=O)OCC 5166AB [0,2,0,0,0,0|0,0,0]=2 110 B10R0.3 CCOC(=O)CSCC(C)=O 7389AE [0,2,0,0,0,0|0,0,1]=3 111 B10R0.19 CCOC(=O)[C@@H](N)CCCN X4052 [0,2,0,0,0,0|0,0,2]=4 112 B10R0.108 CCOC(=O)CNC(=O)OC 8188AB [0,2,0,0,0,0|1,0,1]=4 113 B10R0.26 CCOC(=O)CC(C)N(C)C 0686AF [0,2,0,0,0,0|1,0,1]=4 114 B10R0.26 CCOC(=O)CN(C)C(C)=O 4188AB [0,2,0,0,0,0|1,0,1]=4 115 B10R0.109 CCOC(=O)CCC(C)(F)F 0018AQ [0,2,0,0,0,0|0,0,2]=4 116 B8R1.2 C=CC1CCCCC1 Z3463 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.8 C=CCC1CCCC1 1184AQ [1,0,0,1,0,0|1,0,1]=4 118 B8R1.49 C1=CCCC=CCC1 3897AA [1,0,0,1,0,0|1,0,0]=3 119 B8R1.49 C1=CCCC=CCC1 6196AH [1,0,0,1,0,0|1,0,0]=3 120 B8R1.49 C1=CCCC=CCC1 6604AH [1,0,0,1,0,0|1,0,0]=3 121 B8R1.49 C1=CCCC=CCC1 G780 [1,0,0,1,0,0|1,0,0]=3 122 B8R1.49 C1=CCCC=CCC1 K782 [1,0,0,1,0,0|1,0,0]=3 123 B8R1.1 C=CC1CCC(=O)N1 X4185 [1,0,0,1,0,0|1,0,0]=3 124 B8R1.1 O=C1CCC(CO)C1 W1896 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.3 O=C1CCC(=O)NC1 7306AB [1,0,0,1,0,0|2,0,0]=4 126 B8R1.38 COC(=O)C1CCN1 6194AA [1,0,0,1,0,0|1,0,1]=4 127 B8R1.38 COC(=O)[C@@H]1CCN1 W7941 [1,0,0,1,0,0|1,0,1]=4 128 B8R1.50 O=C1CCC(=O)C1Br 4248AD [1,0,0,1,0,0|2,0,0]=4 129 B8R1.4 CC1CC(=O)CCN1 1072AC [1,0,0,1,0,0|2,0,0]=4 130 B8R1.4 CC1CCCC(=O)N1 6454AJ [1,0,0,1,0,0|1,0,1]=4 131 B8R1.4 NC1CCNC(=O)C1 X9664 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.37 CCOC(=O)[C@H]1CO1 3304AL [1,0,0,1,0,0|1,0,0]=3 133 B10R1.11 CCOC(=O)C1=CNC=C1 Z4680 [0,1,0,1,0,0|0,0,2]=4 134 B10R1.11 CCOC(=O)C1CC=NN1 Z5298 [0,1,0,1,0,0|1,0,0]=3 135 B10R1.11 CCOC(=O)C1CCOC1 6739AA [0,1,0,1,0,0|0,0,2]=4 136 B10R1.135 CCOC(=O)C1CC1CO 1740AJ [0,1,0,1,0,0|0,0,2]=4 137 B10R1.137 CCOC(=O)CC1COC1 3606AA [0,1,0,1,0,0|0,0,2]=4 138 B10R1.4 CCOC1=CC=CNC1=O 5869AJ [0,1,0,1,0,0|1,0,1]=4 139 B10R1.149 C=CC(=O)N1CCOC1=O 0483AB [0,1,0,1,0,0|1,0,1]=4 140 B10R1.401 CCOC(=O)C1(N)CCC1 7173AA [0,1,0,1,0,0|0,0,2]=4 141 B10R1.113 O=C1CC(C(=O)O)CCN1 Z4483 [0,1,0,1,0,0|2,0,0]=4 142 B10R2.2 [C@@H]12CCC=C1CC(=O)O2 Y8486 [0,0,0,2,0,0|0,0,2]=4