0 B5R0.3 CC(CN)CO 4036254 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.3 CC[C@@H](O)CN 4036900 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.3 CC\C(N)=N\O 4030035 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 CC\C(N)=N\O 4089717 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 CNC(=O)CBr 4023689 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 CNC(=O)CCl 4031514 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 CNC(=O)CN 4030580 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 CNC(=O)CO 4032781 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 CNC(C)CO 4028640 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.3 COC(C)C#N 4045776 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.3 COC(C)CN 4031070 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.3 COC(C)CO 4045600 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 CC(=O)CN 4035253 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 CC(C)NN 4032832 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.1 CCC(=N)N 4012617 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 CCC(=N)N 4090083 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.1 N=C(N)CF 4028912 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.2 C=C=CCN 4085485 [1,0,0,0,0,0|0,0,3]=4 18 B4R0.2 CCCNN 4085300 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.1 C=CCC(O)CN 4080175 [0,1,0,0,0,0|1,0,1]=3 20 B6R0.1 CCC(C)CCN 4015078 [0,1,0,0,0,0|0,0,0]=1 21 B6R0.1 CCC(O)CNN 4030953 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.1 CCCC(=O)NN 3002586 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.1 CCCC(N)CC 4028240 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.1 CCCC(N)CC 4088911 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.1 CCNC(=O)CBr 4023688 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.1 CCNC(C)CC 4024881 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.1 CCNC(C)CC 4089770 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.1 CCNC(C)CO 4027506 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.1 CCOC(C)CN 4029821 [0,1,0,0,0,0|0,0,0]=1 30 B6R0.1 CNC(C)CCO 4027121 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.1 CNCC(=O)NC 4033340 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.1 CNCC(C)OC 4031677 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.1 COC(C)CCN 4043534 [0,1,0,0,0,0|1,0,0]=2 34 B6R0.1 COCC(N)CO 4030437 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.1 COCC(O)CN 4001723 [0,1,0,0,0,0|1,0,0]=2 36 B6R0.3 CC(C)C(=O)NN 3015435 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.3 CC(C)C(O)CN 4038941 [0,1,0,0,0,0|1,0,0]=2 38 B6R0.3 CC(CN)N(C)C 4026858 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.3 CN(C)C(=O)CN 4029380 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.3 CNC(=O)C(C)N 4033710 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.3 CNC(C)C(C)C 4027192 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.3 CNC(C)C(N)=O 4031071 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.3 COC(C)C(=O)O 4020866 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.3 CSC(C)C(=O)O 4034068 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.8 C=CC(C)(C)CO 4071188 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.8 CCC(C)(N)CC 4035688 [0,1,0,0,0,0|1,0,0]=2 47 B6R0.8 COC(C)(C)CN 4100459 [0,1,0,0,0,0|1,0,0]=2 48 B6R0.9 CCC(CC)CN 4034714 [0,1,0,0,0,0|0,0,0]=1 49 B6R0.9 CCC(CC)NC 4027066 [0,1,0,0,0,0|1,0,0]=2 50 B6R0.9 CCC(CC)NC 4090629 [0,1,0,0,0,0|1,0,0]=2 51 B6R0.9 CCC(CN)OC 4031411 [0,1,0,0,0,0|0,0,0]=1 52 B6R1.2 CC1CNOC1 4040895 [0,0,0,1,0,0|1,0,0]=2 53 B6R1.2 NC1CCOC1 4003522 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.2 OC1CNOC1 4044152 [0,0,0,1,0,0|2,0,0]=3 55 B6R1.6 NCC1CCC1 4003518 [0,0,0,1,0,0|0,0,0]=1 56 B6R1.7 CCC1(N)CC1 4021535 [0,0,0,1,0,0|2,0,0]=3 57 B5R0.1 C=C(C)CNN 4045392 [1,1,0,0,0,0|0,0,2]=4 58 B5R0.1 CC(C)N=[N+]=[N-] 4041293 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.1 CC(N)CCO 4027026 [1,1,0,0,0,0|0,0,0]=2 60 B5R0.1 CC(O)CNN 4028962 [1,1,0,0,0,0|1,0,0]=3 61 B5R0.1 CNCC(C)O 4035012 [1,1,0,0,0,0|1,0,0]=3 62 B5R0.1 COCC(=N)N 4018503 [1,1,0,0,0,0|1,0,1]=4 63 B5R0.1 NC(=O)CCO 4070037 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.1 NCCC(N)=O 4034723 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.5 CC(C)C(=N)N 4034735 [1,1,0,0,0,0|0,0,1]=3 66 B5R0.5 CC(C)C(=N)N 4088764 [1,1,0,0,0,0|0,0,1]=3 67 B5R0.5 CC(O)C(=N)N 4048497 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.2 C#CCCCBr 4079721 [1,1,0,0,0,0|1,0,1]=4 69 B5R0.2 C#CCCCN 4063954 [1,1,0,0,0,0|0,0,1]=3 70 B5R0.2 C=CCCCN 4075680 [1,1,0,0,0,0|0,0,1]=3 71 B5R0.2 C=CCCNC 4110731 [1,1,0,0,0,0|0,0,2]=4 72 B5R0.2 CNCCSC 4036386 [1,1,0,0,0,0|1,0,0]=3 73 B5R0.2 COCCNN 4108243 [1,1,0,0,0,0|1,0,0]=3 74 B5R0.2 NNCCCO 4085333 [1,1,0,0,0,0|1,0,0]=3 75 B7R0.2 CC(C)NC(=O)CN 4030242 [0,2,0,0,0,0|1,0,1]=4 76 B7R0.2 CC(C)NC(=O)CN 4091078 [0,2,0,0,0,0|1,0,1]=4 77 B7R0.2 CC(CN)CN(C)C 4027503 [0,2,0,0,0,0|0,0,0]=2 78 B7R0.2 CC(CO)CN(C)C 4027873 [0,2,0,0,0,0|1,0,0]=3 79 B7R0.2 CCC(C)CC(=N)N 4012909 [0,2,0,0,0,0|0,0,0]=2 80 B7R0.2 CCC(C)CC(=N)N 4088237 [0,2,0,0,0,0|0,0,0]=2 81 B7R0.2 CCC(C)CC(C)=O 4031282 [0,2,0,0,0,0|1,0,0]=3 82 B7R0.2 CCC(N)CN(C)C 4026183 [0,2,0,0,0,0|1,0,0]=3 83 B7R0.2 CCN(C)CC(=O)O 4026801 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.2 CCN(C)CC(C)=O 4028374 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.2 CCN(C)CC(C)=O 4088950 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.2 CN(C)CC(O)CN 4030423 [0,2,0,0,0,0|1,0,0]=3 87 B7R0.2 CNC(C)CC(=O)O 4035495 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.2 CNC(C)CC(C)C 4027376 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.2 CNC(C)CC(C)C 4089905 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.2 CNC(C)CC(N)=O 4043924 [0,2,0,0,0,0|1,0,0]=3 91 B7R0.3 CCC(=O)NCCN 4110359 [0,2,0,0,0,0|1,0,1]=4 92 B7R0.3 CCCNC(C)CO 4027950 [0,2,0,0,0,0|1,0,0]=3 93 B7R0.3 CCCOC(C)CN 4031060 [0,2,0,0,0,0|0,0,0]=2 94 B7R0.3 CCN(C)CCCCl 4032711 [0,2,0,0,0,0|2,0,0]=4 95 B7R0.3 CCN(C)CCCCl 4090852 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.3 CCN(C)CCCO 4027001 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.3 CCOCC(O)CN 4001724 [0,2,0,0,0,0|1,0,0]=3 98 B7R0.5 CC(C)N(C)CCN 4025252 [0,2,0,0,0,0|1,0,0]=3 99 B7R0.5 CC(CCN)N(C)C 4026896 [0,2,0,0,0,0|1,0,0]=3 100 B7R0.5 CC(CCO)N(C)C 4027250 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.5 CCNC(C)C(N)=O 4030069 [0,2,0,0,0,0|0,0,1]=3 102 B7R0.5 CCNC(C)C(N)=O 4089759 [0,2,0,0,0,0|0,0,1]=3 103 B7R0.5 CCOC(C)C(=O)O 4020873 [0,2,0,0,0,0|1,0,1]=4 104 B7R0.5 CCSC(C)C(=O)O 4028492 [0,2,0,0,0,0|1,0,1]=4 105 B7R0.5 CNCC(C)C(=O)O 4043069 [0,2,0,0,0,0|1,0,1]=4 106 B7R0.7 CCCC(C)NCC 4024861 [0,2,0,0,0,0|1,0,0]=3 107 B7R0.7 CCNC(C)CCO 4027124 [0,2,0,0,0,0|1,0,0]=3 108 B7R0.7 CCOC(C)CNC 4030660 [0,2,0,0,0,0|0,0,0]=2 109 B7R0.7 CN(CCN)CCO 4028518 [0,2,0,0,0,0|1,0,0]=3 110 B7R0.7 CNCC(O)COC 4035032 [0,2,0,0,0,0|1,0,0]=3 111 B7R0.10 CCC(C)C(=O)NN 4031480 [0,2,0,0,0,0|0,0,1]=3 112 B7R0.10 CCC(C)\C(N)=N\O 4043559 [0,2,0,0,0,0|0,0,1]=3 113 B7R0.10 CCC(N)C(=O)NC 4033837 [0,2,0,0,0,0|1,0,1]=4 114 B7R0.10 CCC(N)C(=O)NO 4045655 [0,2,0,0,0,0|1,0,1]=4 115 B7R0.10 CCN(C)C(=O)CCl 4027839 [0,2,0,0,0,0|2,0,0]=4 116 B7R0.10 CCN(C)C(C)CO 4027973 [0,2,0,0,0,0|1,0,0]=3 117 B7R0.10 CNC(=O)C(C)CN 4035379 [0,2,0,0,0,0|0,0,1]=3 118 B7R0.10 CNC(=O)C(C)NC 4034384 [0,2,0,0,0,0|1,0,1]=4 119 B7R0.10 COC(=O)C(C)CN 4052567 [0,2,0,0,0,0|0,0,1]=3 120 B7R0.10 COC(C)C(=O)NN 4024075 [0,2,0,0,0,0|1,0,1]=4 121 B7R0.10 COC(C)\C(N)=N/O 4045625 [0,2,0,0,0,0|1,0,1]=4 122 B7R0.11 CCNC(C)(C)CO 4029235 [0,2,0,0,0,0|1,0,0]=3 123 B7R0.11 CCNC(C)(C)CO 4087910 [0,2,0,0,0,0|1,0,0]=3 124 B7R0.11 CCS(=O)(=O)CCN 4033794 [0,2,0,0,0,0|2,0,0]=4 125 B7R0.11 CNC(C)(C)COC 4027390 [0,2,0,0,0,0|2,0,0]=4 126 B7R0.11 CNCC(C)(C)CO 4025868 [0,2,0,0,0,0|1,0,0]=3 127 B7R0.11 COC(C)(C)CCN 4021563 [0,2,0,0,0,0|1,0,0]=3 128 B7R0.11 COCC(C)(C)CN 4028135 [0,2,0,0,0,0|0,0,0]=2 129 B7R0.12 CCOC(CC)CN 4031082 [0,2,0,0,0,0|0,0,0]=2 130 B7R0.12 CCOC(CC)CN 4091080 [0,2,0,0,0,0|0,0,0]=2 131 B7R0.13 CC(C)(CN)C(=O)O 4020272 [0,2,0,0,0,0|1,0,1]=4 132 B7R0.13 CN(C)C(C)(C)CN 4027739 [0,2,0,0,0,0|1,0,0]=3 133 B7R0.14 CC(C)(C)C(=O)CN 4030730 [0,2,0,0,0,0|1,0,1]=4 134 B7R0.14 CC(C)(O)C(O)CN 4070090 [0,2,0,0,0,0|1,0,0]=3 135 B7R0.14 CNC(C)C(C)(C)C 4028680 [0,2,0,0,0,0|2,0,0]=4 136 B7R0.15 CC(C)C(CN)CO 4039938 [0,2,0,0,0,0|0,0,0]=2 137 B7R0.15 CCC(CN)N(C)C 4028064 [0,2,0,0,0,0|0,0,0]=2 138 B7R0.15 CCC(CO)N(C)C 4026790 [0,2,0,0,0,0|1,0,0]=3 139 B7R0.15 CCC(NC)C(N)=O 4029111 [0,2,0,0,0,0|0,0,1]=3 140 B7R0.15 CCC(OC)C(=O)O 4020880 [0,2,0,0,0,0|1,0,1]=4 141 B7R0.15 CNC(CO)C(C)C 4044773 [0,2,0,0,0,0|1,0,0]=3 142 B7R0.16 CC(C)C(N)C(C)C 4035462 [0,2,0,0,0,0|2,0,0]=4 143 B7R0.18 CCC(N)(CC)CC 4017686 [0,2,0,0,0,0|1,0,0]=3 144 B5R1.2 CC1CCN1 4040985 [1,0,0,1,0,0|0,0,0]=2 145 B5R1.2 FC1CNC1 4108317 [1,0,0,1,0,0|1,0,0]=3 146 B5R1.2 OC1CCC1 4034696 [1,0,0,1,0,0|1,0,0]=3 147 B5R1.2 OC1CNC1 4002252 [1,0,0,1,0,0|1,0,0]=3 148 B5R1.2 OC1CSC1 4042896 [1,0,0,1,0,0|2,0,0]=4 149 B5R1.5 CC1(N)CC1 4021534 [1,0,0,1,0,0|0,0,0]=2 150 B5R1.1 C1CNOC1 4013261 [1,0,0,1,0,0|1,0,0]=3 151 B7R1.1 BrCC1CCOC1 4037584 [0,1,0,1,0,0|1,0,0]=3 152 B7R1.1 C=CC1CCNC1 4051562 [0,1,0,1,0,0|0,0,1]=3 153 B7R1.1 CCC1C=CCN1 4030606 [0,1,0,1,0,0|1,0,1]=4 154 B7R1.1 CCC1CCNC1 4018760 [0,1,0,1,0,0|0,0,0]=2 155 B7R1.1 COC1CCNC1 4029717 [0,1,0,1,0,0|0,0,0]=2 156 B7R1.1 N#CC1CCOC1 4036887 [0,1,0,1,0,0|0,0,2]=4 157 B7R1.1 NCC1CCCC1 4018103 [0,1,0,1,0,0|0,0,0]=2 158 B7R1.1 NCC1CCCC1 4110554 [0,1,0,1,0,0|0,0,0]=2 159 B7R1.1 NCC1CCOC1 4037969 [0,1,0,1,0,0|0,0,0]=2 160 B7R1.1 NNC1CCOC1 4055519 [0,1,0,1,0,0|1,0,0]=3 161 B7R1.1 OCC1CCNC1 4003674 [0,1,0,1,0,0|0,0,0]=2 162 B7R1.2 CC1CNC(=O)C1 4026755 [0,1,0,1,0,0|0,0,1]=3 163 B7R1.2 CC1CNC(=O)O1 4043936 [0,1,0,1,0,0|1,0,1]=4 164 B7R1.2 CN1CCC(N)C1 4035974 [0,1,0,1,0,0|1,0,0]=3 165 B7R1.2 N[C@@H]1CC[C@H](O)C1 4037758 [0,1,0,1,0,0|1,0,0]=3 166 B7R1.3 BrC1CCCOC1 4032123 [0,1,0,1,0,0|2,0,0]=4 167 B7R1.3 CC1=CCNCC1 4036573 [0,1,0,1,0,0|0,0,1]=3 168 B7R1.3 CC1CNCCO1 4019021 [0,1,0,1,0,0|0,0,0]=2 169 B7R1.3 C[C@@H]1COCCN1 4037047 [0,1,0,1,0,0|1,0,0]=3 170 B7R1.3 C[C@H]1CNCCO1 4038541 [0,1,0,1,0,0|0,0,0]=2 171 B7R1.3 NC1CCCOC1 4018204 [0,1,0,1,0,0|2,0,0]=4 172 B7R1.3 O=C1CNCCN1 4102110 [0,1,0,1,0,0|1,0,1]=4 173 B7R1.4 NC1CCNC1=O 4110613 [0,1,0,1,0,0|1,0,1]=4 174 B7R1.4 N[C@H]1COC[C@@H]1O 4034126 [0,1,0,1,0,0|1,0,0]=3 175 B7R1.4 O[C@@H]1CNC[C@H]1F 4068804 [0,1,0,1,0,0|1,0,0]=3 176 B7R1.4 O[C@@H]1CNC[C@H]1O 4034532 [0,1,0,1,0,0|1,0,0]=3 177 B7R1.6 CNCC1CCC1 4031455 [0,1,0,1,0,0|0,0,0]=2 178 B7R1.6 N#CCC1CCC1 4031421 [0,1,0,1,0,0|0,0,1]=3 179 B7R1.6 NCCC1CCC1 4036646 [0,1,0,1,0,0|0,0,0]=2 180 B7R1.10 CCN1CC(O)C1 4042847 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.10 CN1CC(CN)C1 4039121 [0,1,0,1,0,0|0,0,0]=2 182 B7R1.21 CCCC1(N)CC1 4021536 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.22 CCC(N)C1CC1 4044918 [0,1,0,1,0,0|2,0,0]=4 184 B7R1.22 OC(CBr)C1CC1 4047731 [0,1,0,1,0,0|2,0,0]=4 185 B7R1.25 CC1(CN)COC1 4003584 [0,1,0,1,0,0|0,0,0]=2 186 B7R1.25 CC1(CO)CSC1 4048667 [0,1,0,1,0,0|1,0,0]=3 187 B7R1.19 CC(C)C1(N)CC1 4028147 [0,1,0,1,0,0|2,0,0]=4 188 B7R1.23 CC1(C)CC1CN 4032113 [0,1,0,1,0,0|0,0,0]=2 189 B7R1.23 CC1(C)CC1CO 4033976 [0,1,0,1,0,0|1,0,0]=3 190 B7R1.23 FC1(F)CC1CBr 4038642 [0,1,0,1,0,0|2,0,0]=4 191 B7R1.23 NCC1CC1(F)F 4037698 [0,1,0,1,0,0|1,0,0]=3 192 B7R1.23 OCC1CC1(F)F 4031320 [0,1,0,1,0,0|2,0,0]=4 193 B7R1.14 CC1(C)CCCN1 4020218 [0,1,0,1,0,0|2,0,0]=4 194 B7R1.14 CC1(C)CCNC1 4018853 [0,1,0,1,0,0|0,0,0]=2 195 B7R1.14 CC1(N)CCCC1 4017355 [0,1,0,1,0,0|1,0,0]=3 196 B7R1.29 CCC1(CN)CC1 4026723 [0,1,0,1,0,0|0,0,0]=2 197 B7R1.29 NCC1(CO)CC1 4020260 [0,1,0,1,0,0|0,0,0]=2