0 B7R0.7 CCCC(C)NCC 4024861 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.7 CCNC(=O)CCCl 4027744 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.7 CCNC(C)CCO 4027124 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.7 CCOC(=O)CCO 4040900 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.7 CCOC(C)CNC 4030660 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 CCC(C)CCN 4015078 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 CCCC(=O)NN 3002586 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 CCCC(N)CC 4028240 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.1 CCCC(N)CC 4088911 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.1 CCC\C(N)=N\O 4030621 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.1 CCC\C(N)=N\O 4089955 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 CCNC(=O)CBr 4023688 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.1 CCNC(C)CC 4024881 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 CCNC(C)CC 4089770 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.1 CCOC(C)CN 4029821 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 CNC(=O)CCCl 4027989 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 CNC(=O)CCO 4035059 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 CNCC(=O)NC 4033340 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 CNCC(C)OC 4031677 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.1 COC(=O)CCO 4041011 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.1 COC(C)CCN 4043534 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.6 CCCSCCN 4033597 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.6 CCCSCCN 4089004 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.6 CCOCCNC 4030249 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.1 C=CCNC(=O)CCCl 4027154 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.3 CCOC(=O)C(=O)CC 4013605 [0,1,0,0,0,0|0,0,1]=2 26 B8R0.5 CC(C)NC(=O)CCCl 4032028 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.5 COCC(=O)CC(C)=O 4036230 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.4 CC1CCCC(=O)N1 4027532 [0,0,0,1,0,0|1,0,0]=2 29 B8R1.4 CC1COCC(=O)N1 4028237 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.4 CN1CCC=C(Br)C1 4108273 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.8 CCNC1CCCC1 4024871 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.8 CCOC1CCNC1 4041020 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.8 CNCC1CCCO1 4018249 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.11 CCC1CCNC1=O 4035898 [0,0,0,1,0,0|1,0,0]=2 37 B8R1.11 CC[C@@H]1CCC[C@H]1N 4053233 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.18 CC1=C(C)OC(=O)N1 4044048 [0,0,0,1,0,0|1,0,2]=4 39 B8R1.22 CC1CCCCCN1 4043402 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.22 O=C1CCNCCN1 4131005 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.22 O=C1CCSCCN1 4036022 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.22 O=C1CNCCCN1 4015468 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.22 O=C1CSCCSC1 4004797 [0,0,0,1,0,0|3,0,0]=4 44 B5R0.1 C#CCC(=O)O 4035749 [2,0,0,0,0,0|0,0,2]=4 45 B5R0.1 NC(=O)CCO 4070037 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.1 NCCC(N)=O 4034723 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.3 CNC(=O)CBr 4023689 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.3 CNC(=O)CCl 4031514 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.3 CNC(=O)CN 4030580 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.3 CNC(=O)CO 4032781 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.2 CC(C)CC(=O)NN 3014977 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.2 CC(C)CC(=O)NN 4032888 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.2 CC(C)NC(=O)CBr 4023681 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.2 CC(C)NC(=O)CN 4030242 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.2 CC(C)NC(=O)CN 4091078 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.2 CC(O)CC(=O)NN 3015526 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.2 COC(=O)CC(=N)N 4042869 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.3 CCC(=O)NCCN 4110359 [1,1,0,0,0,0|1,0,0]=3 59 B7R0.3 CCN(C)CCCCl 4032711 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.3 CCN(C)CCCCl 4090852 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.3 CCN(C)CCCO 4027001 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.3 CCOCC(=O)NN 4024074 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.3 CCOCC(=O)NN 4089996 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.3 CNC(=O)CCCN 4030090 [1,1,0,0,0,0|1,0,0]=3 65 B7R0.3 CNCCC(=O)NC 4030744 [1,1,0,0,0,0|1,0,0]=3 66 B7R0.5 CCNC(=O)C(C)Cl 4028638 [1,1,0,0,0,0|1,0,0]=3 67 B7R0.5 CN(C)C(=O)CCCl 4027165 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.5 CN(C)C(=O)CCN 4033580 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.5 CN(C)C(=O)CCO 4035245 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.10 CCC(C)C(=O)NN 4031480 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.10 CCC(N)C(=O)NC 4033837 [1,1,0,0,0,0|1,0,0]=3 72 B7R0.10 CCC(N)C(=O)NO 4045655 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.10 CCN(C)C(=O)CCl 4027839 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.10 CNC(=O)C(C)CN 4035379 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.10 CNC(=O)C(C)NC 4034384 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.10 CNC(C)C(=O)OC 4044238 [1,1,0,0,0,0|1,0,0]=3 77 B7R0.10 COC(=O)C(C)CN 4052567 [1,1,0,0,0,0|1,0,0]=3 78 B7R0.11 CCS(=O)(=O)CCN 4033794 [1,1,0,0,0,0|2,0,0]=4 79 B7R0.12 CCOC(CC)CN 4031082 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.12 CCOC(CC)CN 4091080 [1,1,0,0,0,0|1,0,1]=4 81 B7R0.4 CC(C)OCCCO 4034289 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.4 CCCCNC(C)C 4024831 [1,1,0,0,0,0|1,0,1]=4 83 B9R0.5 CCCCNC(=O)CNC 4025910 [0,2,0,0,0,0|2,0,0]=4 84 B9R0.5 CCOC(=O)CCN=C=O 3001880 [0,2,0,0,0,0|0,0,1]=3 85 B9R0.48 C=C(C)\C=C\C(=O)OCC 4074677 [0,2,0,0,0,0|0,0,2]=4 86 B9R0.19 CCNC(=O)C(C)(C)CCl 4028205 [0,2,0,0,0,0|2,0,0]=4 87 B9R0.44 CC(C)(C)NC(=O)CCCl 4027282 [0,2,0,0,0,0|2,0,0]=4 88 B7R1.2 CC1CNC(=O)C1 4026755 [1,0,0,1,0,0|1,0,0]=3 89 B7R1.2 CC1CNC(=O)O1 4043936 [1,0,0,1,0,0|1,0,0]=3 90 B7R1.2 CC1COC(=O)N1 4045335 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.3 O=C1CCCSC1 4021743 [1,0,0,1,0,0|1,0,0]=3 92 B7R1.3 O=C1CNCCN1 4102110 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.3 O=C1NCCCO1 4035958 [1,0,0,1,0,0|1,0,0]=3 94 B7R1.4 NC1CCNC1=O 4110613 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.21 CCCC1(N)CC1 4021536 [1,0,0,1,0,0|1,0,1]=4 96 B7R1.22 CCC(N)C1CC1 4044918 [1,0,0,1,0,0|1,0,1]=4 97 B7R1.22 NNC(=O)C1CC1 3014982 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.7 CCCNC1CC1 4028302 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.7 CCCNC1CC1 4110664 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.7 CCNCC1CC1 4034470 [1,0,0,1,0,0|1,0,1]=4 101 B7R1.7 CCNCC1CC1 4110755 [1,0,0,1,0,0|1,0,1]=4 102 B9R1.2 CCC1COCC(=O)N1 4027565 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.2 CCN1CCNC(=O)C1 4044495 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.8 CCCC1COCCN1 4021666 [0,1,0,1,0,0|1,0,1]=4 105 B9R1.8 CCOC1CCNCC1 4031332 [0,1,0,1,0,0|1,0,1]=4 106 B9R1.8 CCOC1CCNCC1 4088135 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.12 CCOCC1CCCN1 4030295 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.15 CCC1NCCNC1=O 4004453 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.15 CCC1SCCNC1=O 4045692 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.15 CCN1CCCNC1=O 4040526 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.15 CCN1CCNCC1=O 4011544 [0,1,0,1,0,0|1,0,0]=3 112 B9R1.33 NCCN1CCCC1=O 4006050 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.33 NCCN1CCOC1=O 4012055 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.33 O=C1CCCN1CCBr 4035171 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.33 O=C1CCCN1CCCl 6141229 [0,1,0,1,0,0|1,0,0]=3 116 B9R1.48 CC1CCCCC(=O)N1 4085312 [0,1,0,1,0,0|1,0,0]=3 117 B9R1.49 CC1CCNC(=O)CC1 4041565 [0,1,0,1,0,0|1,0,0]=3 118 B9R1.49 CC1CNC(=O)CCN1 4017913 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.75 O=C(CCCl)NC1CC1 5694825 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.3 C[C@@H]1CNCC(=O)N1C 4067271 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.3 C[C@H]1CNCC(=O)N1C 4051612 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.5 CN1CCNCCC1=O 4036421 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.38 CC1CC(=O)NC1(C)C 4044938 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.41 CC(C)N1CCNC1=O 4041535 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.137 CC(=O)CC(=O)C1CC1 5108777 [0,1,0,1,0,0|1,0,1]=4