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|2,0,0]=2 4 B7R0.7 CCOC(C)CNC 4030660 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.7 CN(CCN)CCO 4028518 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.7 CNCC(O)COC 4035032 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 CCC(C)CCN 4015078 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 CCCC(=O)NN 3002586 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.1 CCCC(N)CC 4028240 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.1 CCCC(N)CC 4088911 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.1 CCC\C(N)=N\O 4030621 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CCC\C(N)=N\O 4089955 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 CCNC(=O)CBr 4023688 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CCNC(C)CC 4024881 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 CCNC(C)CC 4089770 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 CNC(=O)CCCl 4027989 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 CNC(=O)CCO 4035059 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 CNCC(=O)NC 4033340 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 COC(=O)CCO 4041011 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.6 C=CCNCCC 4031693 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.6 CCCSCCN 4033597 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.6 CCCSCCN 4089004 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.6 CCOCCNC 4030249 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.6 CNCCCOC 4021520 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.6 FCCCCCBr 4041608 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.1 C=CCNC(=O)CCCl 4027154 [0,1,0,0,0,0|1,0,2]=4 27 B8R0.3 CCOC(=O)C(=O)CC 4013605 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.5 CC(C)NC(=O)CCCl 4032028 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.5 CCCS(=O)CC(=O)O 4027354 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.5 COCC(=O)CC(C)=O 4036230 [0,1,0,0,0,0|1,0,1]=3 31 B8R1.4 CC1CCCC(=O)N1 4027532 [0,0,0,1,0,0|1,0,0]=2 32 B8R1.4 CC1CN(C)CCN1 4050805 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.4 CC1COCC(=O)N1 4028237 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.4 CN1CCC=C(Br)C1 4108273 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.4 CN1CCCC(N)C1 4004054 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.4 C[C@@H]1CN(C)CCN1 4066708 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.4 C[C@H]1CN(C)CCN1 4004800 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 4039538 [0,0,0,1,0,0|1,0,2]=4 41 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4037289 [0,0,0,1,0,0|1,0,2]=4 42 B8R1.8 CCCC1CCNC1 4018767 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.8 CCNC1CCCC1 4024871 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.8 CNCC1CCCC1 4043685 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.8 CNCC1CCCN1 4111536 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.8 CNCC1CCCO1 4018249 [0,0,0,1,0,0|1,0,2]=4 47 B8R1.8 NCCC1CCCC1 4015075 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.8 NCCC1CCCC1 4087871 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.8 OCCC1CCCN1 4019404 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.11 CCC1CCNC1=O 4035898 [0,0,0,1,0,0|1,0,0]=2 51 B8R1.11 CC[C@@H]1CCC[C@H]1N 4053233 [0,0,0,1,0,0|1,0,1]=3 52 B8R1.11 CN1CCCC1CCl 4041434 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.11 CN1CCCC1CN 4111535 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.11 CO[C@@H]1CCC[C@H]1N 4054968 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.22 CC1CCCCCN1 4043402 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.22 CC1CCCNCC1 4041336 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.22 O=C1CCNCCN1 4131005 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.22 O=C1CCSCCN1 4036022 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.22 O=C1CNCCCN1 4015468 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.22 O=C1CSCCSC1 4004797 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.22 OC1CCCNCC1 4030734 [0,0,0,1,0,0|1,0,2]=4 62 B5R0.1 NC(=O)CCO 4070037 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 NCCC(N)=O 4034723 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.2 CNCCSC 4036386 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.3 CNC(=O)CBr 4023689 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.3 CNC(=O)CCl 4031514 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.3 CNC(=O)CN 4030580 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.3 CNC(=O)CO 4032781 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.2 CC(C)CC(=O)NN 3014977 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.2 CC(C)CC(=O)NN 4032888 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.2 CC(C)NC(=O)CBr 4023681 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.2 CC(C)NC(=O)CN 4030242 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.2 CC(C)NC(=O)CN 4091078 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.2 CC(O)CC(=O)NN 3015526 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.3 CCC(=O)NCCN 4110359 [1,1,0,0,0,0|1,0,0]=3 76 B7R0.3 CCN(C)CCCCl 4032711 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.3 CCN(C)CCCCl 4090852 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.3 CCN(C)CCCO 4027001 [1,1,0,0,0,0|2,0,0]=4 79 B7R0.3 CCOCC(=O)NN 4024074 [1,1,0,0,0,0|2,0,0]=4 80 B7R0.3 CCOCC(=O)NN 4089996 [1,1,0,0,0,0|2,0,0]=4 81 B7R0.3 CNC(=O)CCCN 4030090 [1,1,0,0,0,0|1,0,0]=3 82 B7R0.3 CNCCC(=O)NC 4030744 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.5 CCNC(=O)C(C)Cl 4028638 [1,1,0,0,0,0|1,0,0]=3 84 B7R0.5 CN(C)C(=O)CCCl 4027165 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.5 CN(C)C(=O)CCN 4033580 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.5 CN(C)C(=O)CCO 4035245 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.10 CCC(C)C(=O)NN 4031480 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.10 CCC(N)C(=O)NC 4033837 [1,1,0,0,0,0|1,0,0]=3 89 B7R0.10 CCC(N)C(=O)NO 4045655 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.10 CCN(C)C(=O)CCl 4027839 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.10 CNC(=O)C(C)CN 4035379 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.10 CNC(=O)C(C)NC 4034384 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.10 CNC(C)C(=O)OC 4044238 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.10 COC(=O)C(C)CN 4052567 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.11 CCS(=O)(=O)CCN 4033794 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.4 CC(C)CNCCO 4029069 [1,1,0,0,0,0|2,0,0]=4 97 B7R0.4 CCCCNC(C)C 4024831 [1,1,0,0,0,0|1,0,1]=4 98 B9R0.5 CCCCNC(=O)CNC 4025910 [0,2,0,0,0,0|1,0,0]=3 99 B9R0.5 CCOC(=O)CCN=C=O 3001880 [0,2,0,0,0,0|1,0,1]=4 100 B9R0.19 CCNC(=O)C(C)(C)CCl 4028205 [0,2,0,0,0,0|2,0,0]=4 101 B9R0.44 CC(C)(C)NC(=O)CCCl 4027282 [0,2,0,0,0,0|2,0,0]=4 102 B9R0.58 CC(C)CS(=O)(=O)CCN 4040271 [0,2,0,0,0,0|2,0,0]=4 103 B7R1.2 CC1CNC(=O)C1 4026755 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.2 CC1CNC(=O)O1 4043936 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.2 CC1COC(=O)N1 4045335 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.3 O=C1CCCSC1 4021743 [1,0,0,1,0,0|1,0,0]=3 107 B7R1.3 O=C1CNCCN1 4102110 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.3 O=C1NCCCO1 4035958 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.4 NC1CCNC1=O 4110613 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.21 CCCC1(N)CC1 4021536 [1,0,0,1,0,0|1,0,1]=4 111 B7R1.22 CCC(N)C1CC1 4044918 [1,0,0,1,0,0|1,0,1]=4 112 B7R1.22 NNC(=O)C1CC1 3014982 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.7 CCCNC1CC1 4028302 [1,0,0,1,0,0|1,0,0]=3 114 B7R1.7 CCCNC1CC1 4110664 [1,0,0,1,0,0|1,0,0]=3 115 B7R1.7 CCNCC1CC1 4034470 [1,0,0,1,0,0|1,0,1]=4 116 B7R1.7 CCNCC1CC1 4110755 [1,0,0,1,0,0|1,0,1]=4 117 B9R1.2 CCC1COCC(=O)N1 4027565 [0,1,0,1,0,0|1,0,0]=3 118 B9R1.2 CCN1CCCC(N)C1 4028708 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.2 CCN1CCNC(=O)C1 4044495 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.2 CN1CCCC(CBr)C1 4041076 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.2 CN1CCCC(CN)C1 4103006 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.7 CCCN1CCC(N)C1 4044403 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.8 CCCC1COCCN1 4021666 [0,1,0,1,0,0|1,0,1]=4 124 B9R1.12 CCCNC1CCCC1 4024874 [0,1,0,1,0,0|1,0,1]=4 125 B9R1.12 CCOCC1CCCN1 4030295 [0,1,0,1,0,0|1,0,1]=4 126 B9R1.12 CNCCN1CCCC1 4004410 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.12 NCCCC1CCCC1 4012706 [0,1,0,1,0,0|1,0,1]=4 128 B9R1.12 OCCCN1CCCC1 4012899 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.15 CCC1CNCCN1C 4016224 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.15 CCC1NCCNC1=O 4004453 [0,1,0,1,0,0|1,0,0]=3 131 B9R1.15 CCC1SCCNC1=O 4045692 [0,1,0,1,0,0|1,0,0]=3 132 B9R1.15 CCN1CCCNC1=O 4040526 [0,1,0,1,0,0|1,0,0]=3 133 B9R1.15 CCN1CCNCC1=O 4011544 [0,1,0,1,0,0|1,0,0]=3 134 B9R1.33 CNCC1CCCN1C 4110679 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.33 NCCN1CCCC1=O 4006050 [0,1,0,1,0,0|1,0,0]=3 136 B9R1.33 NCCN1CCOC1=O 4012055 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.33 O=C1CCCN1CCBr 4035171 [0,1,0,1,0,0|1,0,0]=3 138 B9R1.33 O=C1CCCN1CCCl 6141229 [0,1,0,1,0,0|1,0,0]=3 139 B9R1.48 CC1CCCCC(=O)N1 4085312 [0,1,0,1,0,0|1,0,0]=3 140 B9R1.48 CC1CN(C)CCCN1 4017933 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.49 CC1CCNC(=O)CC1 4041565 [0,1,0,1,0,0|1,0,0]=3 142 B9R1.49 CC1CNC(=O)CCN1 4017913 [0,1,0,1,0,0|1,0,0]=3 143 B9R1.49 CN1CCCC(N)CC1 4039072 [0,1,0,1,0,0|1,0,1]=4 144 B9R1.69 C[C@@H]1C[C@@H](N)CCN1C 4079048 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.75 O=C(CCCl)NC1CC1 5694825 [0,1,0,1,0,0|1,0,0]=3 146 B9R1.3 C[C@@H]1CNCC(=O)N1C 4067271 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.3 C[C@H]1CNCC(=O)N1C 4051612 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.5 CN1CCNCCC1=O 4036421 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4049315 [0,1,0,1,0,0|0,0,2]=4 150 B9R1.13 CC(N)CN1CCCC1 4011425 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.38 CC1CC(=O)NC1(C)C 4044938 [0,1,0,1,0,0|1,0,0]=3 152 B9R1.41 CC(C)N1CCNC1=O 4041535 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.137 CC(=O)CC(=O)C1CC1 5108777 [0,1,0,1,0,0|0,0,1]=3 154 B9R1.89 CNC1CCCCCC1 4027537 [0,1,0,1,0,0|1,0,1]=4 155 B9R1.89 O=CN1CCCNCC1 3002895 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.175 CCCC1(CN)CCC1 4026729 [0,1,0,1,0,0|1,0,1]=4 157 B9R1.148 CC1(N)CCCCCC1 4025641 [0,1,0,1,0,0|1,0,1]=4 158 B9R2.39 NC1CC2CCC1C2 4017975 [0,0,0,2,0,0|1,0,1]=4 159 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1C2 4077747 [0,0,0,2,0,0|1,0,1]=4 160 B9R2.68 [C@H]12CCC[C@H](C1)NC2 4101829 [0,0,0,2,0,0|1,0,1]=4 161 B9R2.87 NC(C1CC1)C2CC2 4003537 [0,0,0,2,0,0|1,0,1]=4 162 B9R2.87 NC(C1CC1)C2CC2 4089629 [0,0,0,2,0,0|1,0,1]=4