0 B8R1.22 CC1CCCCCN1 4043402 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.22 CC1CCCNCC1 4041336 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.22 O=C1CCNCCN1 4131005 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.22 O=C1CCSCCN1 4036022 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.22 O=C1CNCCCN1 4015468 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.22 O=C1CSCCSC1 4004797 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.22 OC1CCCNCC1 4030734 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.5 CN1CCNCCC1=O 4036421 [0,1,0,0,0,0|1,0,0]=2 8 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4049315 [0,1,0,0,0,0|1,0,2]=4 9 B9R1.48 CC1CCCCC(=O)N1 4085312 [0,1,0,0,0,0|0,0,0]=1 10 B9R1.48 CC1CN(C)CCCN1 4017933 [0,1,0,0,0,0|2,0,1]=4 11 B9R1.49 CC1CCNC(=O)CC1 4041565 [0,1,0,0,0,0|0,0,0]=1 12 B9R1.49 CC1CNC(=O)CCN1 4017913 [0,1,0,0,0,0|1,0,0]=2 13 B9R1.49 CN1CCCC(N)CC1 4039072 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.89 CNC1CCCCCC1 4027537 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.89 O=CN1CCCNCC1 3002895 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.89 OCC1CCCCCN1 5510936 [0,1,0,0,0,0|0,0,2]=3 17 B9R1.148 CC1(N)CCCCCC1 4025641 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.3 CCC(=O)NCCN 4110359 [0,0,1,0,0,0|1,0,0]=2 19 B7R0.3 CCCNC(C)CO 4027950 [0,0,1,0,0,0|2,0,1]=4 20 B7R0.3 CCOCC(=O)NN 4024074 [0,0,1,0,0,0|2,0,0]=3 21 B7R0.3 CCOCC(=O)NN 4089996 [0,0,1,0,0,0|2,0,0]=3 22 B7R0.3 CNC(=O)CCCN 4030090 [0,0,1,0,0,0|1,0,0]=2 23 B7R0.3 CNC(=O)CN=[N+]=[N-] 4040083 [0,0,1,0,0,0|3,0,0]=4 24 B7R0.3 CNCCC(=O)NC 4030744 [0,0,1,0,0,0|1,0,0]=2 25 B7R0.4 CC(=O)NCCCO 4032317 [0,0,1,0,0,0|1,0,0]=2 26 B7R0.4 CC(C)NCCCO 4088008 [0,0,1,0,0,0|2,0,1]=4 27 B7R0.4 CC(C)NCCCO 5116284 [0,0,1,0,0,0|2,0,1]=4 28 B7R0.4 CCCCCC(=N)N 4012907 [0,0,1,0,0,0|1,0,0]=2 29 B7R0.4 CCCCCC(=N)N 4088605 [0,0,1,0,0,0|1,0,0]=2 30 B7R0.4 CCCCNC(C)C 4024831 [0,0,1,0,0,0|1,0,1]=3 31 B7R0.4 CCCOCC(=O)O 4020861 [0,0,1,0,0,0|2,0,0]=3 32 B7R0.4 CCCSCC(=O)O 4028731 [0,0,1,0,0,0|2,0,0]=3 33 B7R0.4 CCSCCC(=O)O 4028457 [0,0,1,0,0,0|2,0,0]=3 34 B7R0.4 COCCNC(=N)N 4018285 [0,0,1,0,0,0|3,0,0]=4 35 B7R0.7 CCCC(C)NCC 4024861 [0,0,1,0,0,0|1,0,1]=3 36 B7R0.7 CCNC(=O)CCCl 4027744 [0,0,1,0,0,0|1,0,0]=2 37 B7R0.7 CCNC(C)CCO 4027124 [0,0,1,0,0,0|2,0,1]=4 38 B7R0.7 CCOC(=O)CCO 4040900 [0,0,1,0,0,0|2,0,0]=3 39 B9R2.68 C1CN2CCC(C2)N1 4002274 [0,0,0,1,0,0|2,0,1]=4 40 B9R2.68 [C@H]12CCC[C@H](C1)NC2 4101829 [0,0,0,1,0,0|1,0,1]=3 41 B7R1.3 BrC1CCCOC1 4032123 [0,0,0,0,1,0|2,0,1]=4 42 B7R1.3 CC1=CCNCC1 4036573 [0,0,0,0,1,0|2,0,1]=4 43 B7R1.3 C[C@@H]1COCCN1 4037047 [0,0,0,0,1,0|2,0,1]=4 44 B7R1.3 NC1CCCOC1 4018204 [0,0,0,0,1,0|2,0,1]=4 45 B7R1.3 O=C1CCCSC1 4021743 [0,0,0,0,1,0|1,0,0]=2 46 B7R1.3 O=C1CNCCN1 4102110 [0,0,0,0,1,0|1,0,0]=2 47 B7R1.3 O=C1NCCCO1 4035958 [0,0,0,0,1,0|1,0,0]=2 48 B6R0.6 C=CCCCCN 4067494 [1,0,1,0,0,0|0,0,1]=3 49 B6R0.6 C=CCNCCC 4031693 [1,0,1,0,0,0|2,0,0]=4 50 B6R0.6 CCCSCCN 4033597 [1,0,1,0,0,0|1,0,1]=4 51 B6R0.6 CCCSCCN 4089004 [1,0,1,0,0,0|1,0,1]=4 52 B6R0.6 CCOCCNC 4030249 [1,0,1,0,0,0|1,0,1]=4 53 B6R0.6 CNCCCOC 4021520 [1,0,1,0,0,0|1,0,1]=4 54 B6R0.6 FCCCCCBr 4041608 [1,0,1,0,0,0|2,0,0]=4 55 B6R0.1 CCCC(=O)NN 3002586 [1,0,1,0,0,0|1,0,0]=3 56 B6R0.1 CCCC(N)CC 4028240 [1,0,1,0,0,0|1,0,1]=4 57 B6R0.1 CCCC(N)CC 4088911 [1,0,1,0,0,0|1,0,1]=4 58 B6R0.1 CCNC(=O)CBr 4023688 [1,0,1,0,0,0|1,0,0]=3 59 B6R0.1 CCNC(C)CC 4024881 [1,0,1,0,0,0|1,0,1]=4 60 B6R0.1 CCNC(C)CC 4089770 [1,0,1,0,0,0|1,0,1]=4 61 B6R0.1 CNC(=O)CCCl 4027989 [1,0,1,0,0,0|1,0,0]=3 62 B6R0.1 CNC(=O)CCO 4035059 [1,0,1,0,0,0|1,0,0]=3 63 B6R0.1 CNCC(=O)NC 4033340 [1,0,1,0,0,0|1,0,0]=3 64 B6R0.1 COC(=O)CCO 4041011 [1,0,1,0,0,0|2,0,0]=4 65 B6R0.4 CCCCC(=N)N 4012905 [1,0,1,0,0,0|1,0,0]=3 66 B6R0.4 CCOCC(=N)N 4018504 [1,0,1,0,0,0|2,0,0]=4 67 B6R0.4 CCOCC(=N)N 4088124 [1,0,1,0,0,0|2,0,0]=4 68 B6R0.4 CNCCC(=O)O 4036102 [1,0,1,0,0,0|2,0,0]=4 69 B6R0.4 CNCCC(N)=O 4029061 [1,0,1,0,0,0|1,0,0]=3 70 B6R0.4 COCCC(C)=O 4022132 [1,0,1,0,0,0|1,0,0]=3 71 B6R0.4 CSCCC(=N)N 4042665 [1,0,1,0,0,0|2,0,0]=4 72 B6R0.4 NC(=O)CCCCl 4028442 [1,0,1,0,0,0|1,0,0]=3 73 B8R0.3 CCCC(N)C(=O)NC 4042706 [0,1,1,0,0,0|0,0,0]=2 74 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [0,1,1,0,0,0|1,0,0]=3 75 B8R0.3 CCOC(=O)C(=O)CC 4013605 [0,1,1,0,0,0|2,0,0]=4 76 B8R0.3 CCOC(C)C(=O)NN 4024077 [0,1,1,0,0,0|2,0,0]=4 77 B8R0.3 CCOC(C)C(=O)NN 4090202 [0,1,1,0,0,0|2,0,0]=4 78 B8R0.3 COC(=O)[C@@H](N)CSC 4029499 [0,1,1,0,0,0|2,0,0]=4 79 B8R0.8 C=CCNC(=O)C(C)Cl 4027134 [0,1,1,0,0,0|0,0,2]=4 80 B8R0.8 CC(C)C(=O)NCCN 4027734 [0,1,1,0,0,0|1,0,0]=3 81 B8R0.8 CCCNC(=O)C(=O)O 4027289 [0,1,1,0,0,0|1,0,1]=4 82 B8R0.8 CCCNC(=O)C(C)Cl 4027198 [0,1,1,0,0,0|0,0,0]=2 83 B8R0.8 CCCNC(C)C(C)C 4024851 [0,1,1,0,0,0|1,0,1]=4 84 B8R0.8 CCCNC(C)C(C)C 4088422 [0,1,1,0,0,0|1,0,1]=4 85 B8R0.8 CN(C)C(=O)CCCN 4034672 [0,1,1,0,0,0|1,0,0]=3 86 B8R0.9 CC(C)CNC(=O)CCl 4025710 [0,1,1,0,0,0|1,0,0]=3 87 B8R0.9 CCC(=O)NCC(=O)O 4027002 [0,1,1,0,0,0|1,0,1]=4 88 B8R0.11 CCCNC(CC)CC 4024896 [0,1,1,0,0,0|1,0,1]=4 89 B8R0.11 CCCNC(CC)CC 4088634 [0,1,1,0,0,0|1,0,1]=4 90 B8R0.19 CCC(C)NC(=O)CCl 4028165 [0,1,1,0,0,0|1,0,0]=3 91 B8R0.19 CCN(C)CC(=O)NN 4032665 [0,1,1,0,0,0|2,0,0]=4 92 B8R0.19 CCN(C)CC(=O)NN 4090335 [0,1,1,0,0,0|2,0,0]=4 93 B8R0.19 CNC(=O)CC(C)NC 4034214 [0,1,1,0,0,0|1,0,0]=3 94 B8R0.19 CNC(=O)CC(C)NC 4088864 [0,1,1,0,0,0|1,0,0]=3 95 B8R0.5 CCCS(=O)CC(=O)O 4027354 [0,1,1,0,0,0|2,0,0]=4 96 B8R0.28 CC(C)NCCC(N)=O 4029400 [0,1,1,0,0,0|1,0,0]=3 97 B8R0.28 NC(=O)CCCC(=O)O 4027348 [0,1,1,0,0,0|1,0,1]=4 98 B8R1.2 NCC1=CCCCC1 4019756 [0,1,0,0,1,0|1,0,1]=4 99 B8R1.3 CC1=NNC(=O)CC1 3003063 [0,1,0,0,1,0|1,0,1]=4 100 B8R1.3 CN1CCC(N)CC1 4003460 [0,1,0,0,1,0|2,0,0]=4 101 B8R1.3 C[C@@H]1CNC(=O)CN1 4082079 [0,1,0,0,1,0|1,0,0]=3 102 B8R1.3 C[C@H]1CNC(=O)CN1 4084192 [0,1,0,0,1,0|1,0,0]=3 103 B8R1.3 O=C1CCC(O)CC1 4029093 [0,1,0,0,1,0|0,0,0]=2 104 B8R1.3 O=C1NCC(O)CN1 4044966 [0,1,0,0,1,0|1,0,0]=3 105 B8R1.4 CC1CCCC(=O)N1 4027532 [0,1,0,0,1,0|0,0,0]=2 106 B8R1.4 CC1COCC(=O)N1 4028237 [0,1,0,0,1,0|1,0,0]=3 107 B8R1.4 CN1CCCC(N)C1 4004054 [0,1,0,0,1,0|2,0,0]=4 108 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,1,0,0,1,0|1,0,0]=3 109 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,1,0,0,1,0|1,0,0]=3 110 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 4039538 [0,1,0,0,1,0|0,0,2]=4 111 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4037289 [0,1,0,0,1,0|0,0,2]=4 112 B8R1.4 O=C1CNCC(=O)N1 4041602 [0,1,0,0,1,0|1,0,1]=4 113 B8R1.4 O=C1COCC(=O)N1 4045755 [0,1,0,0,1,0|1,0,1]=4 114 B8R1.5 CC1NCCNC1=O 4028234 [0,1,0,0,1,0|1,0,0]=3 115 B8R1.5 CC1OCCNC1=O 4045691 [0,1,0,0,1,0|1,0,0]=3 116 B8R1.5 CC1SCCNC1=O 4044376 [0,1,0,0,1,0|1,0,0]=3 117 B8R1.5 CN1CCCNC1=O 4035075 [0,1,0,0,1,0|1,0,0]=3 118 B8R1.5 CN1CCNCC1=O 4102111 [0,1,0,0,1,0|1,0,0]=3 119 B8R1.5 NC1CCCNC1=O 4002400 [0,1,0,0,1,0|0,0,0]=2 120 B8R1.72 CC1(N)CCCCC1 4017356 [0,1,0,0,1,0|1,0,1]=4 121 B8R1.72 O=S1(=O)CCNCC1 4014927 [0,1,0,0,1,0|2,0,0]=4 122 B10R1.197 CCC1CCNC(=O)CC1 4042732 [0,2,0,0,0,0|0,0,0]=2 123 B8R1.8 CCCC1CCNC1 4018767 [0,0,1,1,0,0|1,0,1]=4 124 B8R1.8 CCNC1CCCC1 4024871 [0,0,1,1,0,0|1,0,1]=4 125 B8R1.8 CNCC1CCCN1 4111536 [0,0,1,1,0,0|2,0,0]=4 126 B8R1.8 NCCC1CCCC1 4015075 [0,0,1,1,0,0|1,0,1]=4 127 B8R1.8 NCCC1CCCC1 4087871 [0,0,1,1,0,0|1,0,1]=4 128 B8R1.8 NCCC1CCOC1 4037193 [0,0,1,1,0,0|2,0,0]=4 129 B8R1.8 OCCC1CCCN1 4019404 [0,0,1,1,0,0|0,0,2]=4 130 B8R1.11 CCC1CCNC1=O 4035898 [0,0,1,1,0,0|0,0,0]=2 131 B8R1.11 CC[C@@H]1CCC[C@H]1N 4053233 [0,0,1,1,0,0|1,0,1]=4 132 B8R1.11 CN1CCCC1CN 4111535 [0,0,1,1,0,0|2,0,0]=4 133 B8R1.11 CO[C@@H]1CCC[C@H]1N 4054968 [0,0,1,1,0,0|2,0,0]=4 134 B8R1.1 CCC1COC(=O)N1 4044759 [0,0,1,1,0,0|1,0,0]=3 135 B8R1.1 NCC1CCC(=O)N1 4110532 [0,0,1,1,0,0|1,0,0]=3 136 B8R1.1 NCC1CNC(=O)C1 4002894 [0,0,1,1,0,0|1,0,0]=3 137 B8R1.1 O=C1CC(CBr)CN1 4076303 [0,0,1,1,0,0|1,0,0]=3 138 B8R1.1 O=C1CC(CO)CN1 4108826 [0,0,1,1,0,0|1,0,0]=3 139 B8R1.1 O=C1CCC(CBr)O1 4085450 [0,0,1,1,0,0|2,0,0]=4 140 B8R1.1 O=C1CCC(CI)N1 4110716 [0,0,1,1,0,0|1,0,0]=3 141 B8R1.38 NNC(=O)C1CCC1 4032586 [0,0,1,1,0,0|1,0,0]=3 142 B8R1.40 NCC(=O)NC1CC1 4031002 [0,0,1,1,0,0|1,0,0]=3 143 B8R1.40 O=C(CCl)NC1CC1 4027313 [0,0,1,1,0,0|1,0,0]=3 144 B8R1.50 CC1=NNC(=O)C1C 4042832 [0,0,1,1,0,0|1,0,1]=4 145 B8R1.7 CC(=O)C1CCCC1 4031395 [0,0,1,1,0,0|1,0,0]=3 146 B8R1.7 CC(=O)C1CCCO1 4075977 [0,0,1,1,0,0|2,0,0]=4 147 B8R1.7 CC(N)C1CCCC1 4040740 [0,0,1,1,0,0|1,0,1]=4 148 B8R1.7 N=C(N)C1CCOC1 4108969 [0,0,1,1,0,0|2,0,0]=4 149 B8R1.7 O=C(O)C1CCCS1 4045536 [0,0,1,1,0,0|2,0,0]=4 150 B8R1.19 CC1CCNC1(C)C 4044856 [0,0,1,1,0,0|1,0,1]=4 151 B8R1.34 O=C(O)CC1CCC1 4028895 [0,0,1,1,0,0|1,0,0]=3 152 B8R1.35 CC(C)NCC1CC1 4024833 [0,0,1,1,0,0|1,0,1]=4 153 B8R2.34 C1CC2CC1CN2 4100721 [0,0,0,1,1,0|1,0,1]=4 154 B8R2.34 C1CC2CCC1N2 4021192 [0,0,0,1,1,0|1,0,1]=4 155 B10R2.32 O=C1NC[C@H]2CNC[C@@H]12 4091201 [0,0,0,1,0,1|0,0,0]=2 156 B10R2.408 C1C[C@@H]2CNC[C@H](C1)C2 4101942 [0,0,0,1,0,1|1,0,1]=4 157 B10R2.61 O=C1N[C@H]2CCC[C@@H]1C2 4091297 [0,1,0,1,0,0|0,0,0]=2 158 B6R1.1 C1CCONC1 4013260 [1,0,0,0,1,0|1,0,0]=3