0 B6R0.4 CC(C)SCCN 4012669 [0,0,0,0,0,0|2,1,1]=4 1 B6R0.4 CC(C)SCCN 4089980 [0,0,0,0,0,0|2,1,1]=4 2 B6R0.4 CCCCC(=N)N 4012905 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.4 CCOCC(=N)N 4018504 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.4 CCOCC(=N)N 4088124 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.4 CNCCC(=O)O 4036102 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.4 CNCCC(N)=O 4029061 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.4 COCCC(C)=O 4022132 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.4 CSCCC(=N)N 4042665 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.4 NC(=O)CCCCl 4028442 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.1 C#CCC(=O)O 4035749 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.1 C=C(C)CNN 4045392 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 CC(N)CCO 4027026 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CNCC(C)O 4035012 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 COCC(=N)N 4018503 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 NC(=O)CCO 4070037 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 NCCC(N)=O 4034723 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.2 C=CCCCN 4075680 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 C=CCCNC 4110731 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.2 CNCCSC 4036386 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.2 CCC(C)CC(=N)N 4012909 [0,1,0,0,0,0|3,0,0]=4 21 B7R0.2 CCC(C)CC(=N)N 4088237 [0,1,0,0,0,0|3,0,0]=4 22 B7R0.2 CCC(C)CC(C)=O 4031282 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.2 CCC(N)CN(C)C 4026183 [0,1,0,0,0,0|3,0,0]=4 24 B7R0.2 CCN(C)CC(=O)O 4026801 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.2 CCN(C)CC(C)=O 4028374 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.2 CCN(C)CC(C)=O 4088950 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.2 CNC(C)CC(=O)O 4035495 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.2 CNC(C)CC(N)=O 4043924 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.3 CCC(=O)NCCN 4110359 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.3 CCCNC(C)CO 4027950 [0,1,0,0,0,0|1,0,2]=4 31 B7R0.3 CCCOC(C)CN 4031060 [0,1,0,0,0,0|1,0,1]=3 32 B7R0.3 CCOCC(=O)NN 4024074 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.3 CCOCC(=O)NN 4089996 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.3 CNC(=O)CCCN 4030090 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.3 CNCCC(=O)NC 4030744 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.4 CC(=O)NCCCO 4032317 [0,1,0,0,0,0|1,0,0]=2 37 B7R0.4 CC(C)NCCCO 4088008 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.4 CC(C)NCCCO 5116284 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.4 CC(C)OCCCO 4034289 [0,1,0,0,0,0|1,0,1]=3 40 B7R0.4 CCCCCC(=N)N 4012907 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.4 CCCCCC(=N)N 4088605 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.4 CCCCNC(C)C 4024831 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.4 CCCOCC(=O)O 4020861 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.4 CCCSCC(=O)O 4028731 [0,1,0,0,0,0|1,1,0]=3 45 B7R0.4 CCSCCC(=O)O 4028457 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.4 COCCNC(=N)N 4018285 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.5 CC(=O)N(C)CCO 4036108 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.5 CCNC(C)C(N)=O 4030069 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.5 CCNC(C)C(N)=O 4089759 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.5 CCOC(C)C(=O)O 4020873 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.5 CCSC(C)C(=O)O 4028492 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.5 CNCC(C)C(=O)O 4043069 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.6 CC(=O)CCN(C)C 4090669 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.6 CC(=O)CCN(C)C 5108147 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.6 CC(C)CCC(=N)N 4012910 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.6 CC(C)CCC(=N)N 4091144 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.6 CC(C)CNC(C)C 4028720 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.6 CC(C)CNC(C)C 4090247 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.6 CC(C)NCC(=O)O 4028411 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.6 CC(C)OCC(=O)O 4020858 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.6 CC(C)SCC(=O)O 4028613 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.8 CS(=O)(=O)CCCO 4031323 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.8 CS(=O)(=O)NCCN 4029868 [0,1,0,0,0,0|3,0,0]=4 64 B7R1.2 CC1CNC(=O)C1 4026755 [0,0,0,1,0,0|1,0,0]=2 65 B7R1.2 CC1CNC(=O)O1 4043936 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.2 CC1COC(=O)N1 4045335 [0,0,0,1,0,0|1,0,0]=2 67 B7R1.3 CC1=CCNCC1 4036573 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.3 CC1CNCCO1 4019021 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.3 C[C@H]1CNCCO1 4038541 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.3 O=C1CCCSC1 4021743 [0,0,0,1,0,0|2,0,0]=3 71 B7R1.3 O=C1CNCCN1 4102110 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.3 O=C1NCCCO1 4035958 [0,0,0,1,0,0|1,0,0]=2 73 B7R1.7 CCCNC1CC1 4028302 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.7 CCCNC1CC1 4110664 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.14 CC1(C)CCCN1 4020218 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.14 CC1(N)CCCC1 4017355 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.20 CC(=O)CC1CC1 4002838 [0,0,0,1,0,0|1,0,0]=2 78 B7R1.20 N=C(N)NC1CC1 4032912 [0,0,0,1,0,0|3,0,0]=4 79 B4R0.1 CC(=O)CN 4035253 [2,0,0,0,0,0|1,0,0]=3 80 B4R0.1 CCC(=N)N 4012617 [2,0,0,0,0,0|2,0,0]=4 81 B4R0.1 CCC(=N)N 4090083 [2,0,0,0,0,0|2,0,0]=4 82 B4R0.2 CCCNN 4085300 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.1 CCCC(=O)NN 3002586 [1,1,0,0,0,0|1,0,0]=3 84 B6R0.1 CCCC(N)CC 4028240 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.1 CCCC(N)CC 4088911 [1,1,0,0,0,0|1,0,1]=4 86 B6R0.1 CCC\C(N)=N\O 4030621 [1,1,0,0,0,0|1,0,1]=4 87 B6R0.1 CCC\C(N)=N\O 4089955 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.1 CCNC(=O)CBr 4023688 [1,1,0,0,0,0|1,0,0]=3 89 B6R0.1 CCOC(C)CN 4029821 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.1 CNC(=O)CCCl 4027989 [1,1,0,0,0,0|1,0,0]=3 91 B6R0.1 CNC(=O)CCO 4035059 [1,1,0,0,0,0|1,0,0]=3 92 B6R0.1 CNCC(=O)NC 4033340 [1,1,0,0,0,0|1,0,0]=3 93 B6R0.1 COC(=O)CCO 4041011 [1,1,0,0,0,0|1,0,0]=3 94 B6R0.2 CC(C)CC(=N)N 4012906 [1,1,0,0,0,0|2,0,0]=4 95 B6R0.3 CNC(C)C(N)=O 4031071 [1,1,0,0,0,0|2,0,0]=4 96 B6R0.3 COC(C)C(=O)O 4020866 [1,1,0,0,0,0|2,0,0]=4 97 B6R0.3 CSC(C)C(=O)O 4034068 [1,1,0,0,0,0|2,0,0]=4 98 B6R0.5 CS(=O)(=O)CCCl 4036406 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.5 CS(=O)(=O)CCN 4030796 [1,1,0,0,0,0|2,0,0]=4 100 B6R0.6 C=CCCCCN 4067494 [1,1,0,0,0,0|1,0,1]=4 101 B6R0.6 C=CCNCCC 4031693 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.6 CCCSCCN 4033597 [1,1,0,0,0,0|0,1,1]=4 103 B6R0.6 CCCSCCN 4089004 [1,1,0,0,0,0|0,1,1]=4 104 B6R0.6 CCOCCNC 4030249 [1,1,0,0,0,0|0,0,1]=3 105 B6R0.6 CNCCCOC 4021520 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.6 COCCN=C=O 4027817 [1,1,0,0,0,0|1,0,1]=4 107 B8R0.5 CC(=O)CN(C)CCO 4028287 [0,2,0,0,0,0|2,0,0]=4 108 B8R0.5 CCCS(=O)CC(=O)O 4027354 [0,2,0,0,0,0|1,1,0]=4 109 B8R0.5 COCC(=O)CC(C)=O 4036230 [0,2,0,0,0,0|1,0,1]=4 110 B8R0.19 CCC(C)NC(=O)CCl 4028165 [0,2,0,0,0,0|1,0,0]=3 111 B8R0.19 CNC(=O)CC(C)NC 4034214 [0,2,0,0,0,0|2,0,0]=4 112 B8R0.19 CNC(=O)CC(C)NC 4088864 [0,2,0,0,0,0|2,0,0]=4 113 B8R0.23 CC(=O)CC(=O)C(C)C 4036300 [0,2,0,0,0,0|1,0,1]=4 114 B8R0.23 CC(=O)CN(C)C(C)C 4028473 [0,2,0,0,0,0|2,0,0]=4 115 B8R0.3 CCCC(N)C(=O)NC 4042706 [0,2,0,0,0,0|1,0,0]=3 116 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [0,2,0,0,0,0|1,0,0]=3 117 B8R0.3 CCOC(=O)C(=O)CC 4013605 [0,2,0,0,0,0|2,0,0]=4 118 B8R0.3 COC(=O)[C@@H](N)CSC 4029499 [0,2,0,0,0,0|2,0,0]=4 119 B8R0.8 CC(C)C(=O)NCCN 4027734 [0,2,0,0,0,0|2,0,0]=4 120 B8R0.8 CCCNC(=O)C(=O)O 4027289 [0,2,0,0,0,0|1,0,1]=4 121 B8R0.8 CCCNC(=O)C(C)Cl 4027198 [0,2,0,0,0,0|1,0,0]=3 122 B8R0.8 CCCOC(C)C(=O)O 4020872 [0,2,0,0,0,0|0,0,1]=3 123 B8R0.8 CN(C)C(=O)CCCN 4034672 [0,2,0,0,0,0|2,0,0]=4 124 B8R0.9 CC(C)CNC(=O)CCl 4025710 [0,2,0,0,0,0|1,0,0]=3 125 B8R0.9 CCN(C)CCC(=O)O 4027808 [0,2,0,0,0,0|2,0,0]=4 126 B8R0.9 CCN(C)CCC(=O)O 4089689 [0,2,0,0,0,0|2,0,0]=4 127 B8R0.9 CCS(=O)CCC(=O)O 4027513 [0,2,0,0,0,0|2,0,0]=4 128 B8R0.7 C\C=C\CCCC(=O)O 4074621 [0,2,0,0,0,0|2,0,0]=4 129 B8R0.28 CC(C)NCCC(N)=O 4029400 [0,2,0,0,0,0|2,0,0]=4 130 B8R0.15 CCCC(NC)C(=O)O 4044041 [0,2,0,0,0,0|2,0,0]=4 131 B8R0.29 CC(C)(C)CCC(=O)O 4027662 [0,2,0,0,0,0|2,0,0]=4 132 B8R0.29 CC(C)(N)CCC(=O)O 4020441 [0,2,0,0,0,0|2,0,0]=4 133 B6R1.10 CC1(N)CCC1 4042856 [1,0,0,1,0,0|1,0,1]=4 134 B6R1.11 CC(N)C1CC1 4004109 [1,0,0,1,0,0|1,0,1]=4 135 B6R1.11 CC(N)C1CC1 4088031 [1,0,0,1,0,0|1,0,1]=4 136 B6R1.11 N=C(N)C1CC1 4041549 [1,0,0,1,0,0|2,0,0]=4 137 B6R1.11 N=C(N)C1CC1 4088692 [1,0,0,1,0,0|2,0,0]=4 138 B6R1.1 C1CCONC1 4013260 [1,0,0,1,0,0|1,0,0]=3 139 B8R1.1 CC1=NOC(CN)C1 4010754 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.1 CCC1COC(=O)N1 4044759 [0,1,0,1,0,0|1,0,0]=3 141 B8R1.1 NCC1CCC(=O)N1 4110532 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.1 NCC1CNC(=O)C1 4002894 [0,1,0,1,0,0|1,0,0]=3 143 B8R1.1 O=C1CC(CBr)CN1 4076303 [0,1,0,1,0,0|1,0,0]=3 144 B8R1.1 O=C1CC(CO)CN1 4108826 [0,1,0,1,0,0|1,0,0]=3 145 B8R1.1 O=C1CCC(CBr)O1 4085450 [0,1,0,1,0,0|1,0,0]=3 146 B8R1.1 O=C1CCC(CI)N1 4110716 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.4 CC1CCCC(=O)N1 4027532 [0,1,0,1,0,0|1,0,0]=3 148 B8R1.4 CC1COCC(=O)N1 4028237 [0,1,0,1,0,0|1,0,0]=3 149 B8R1.4 CN1CCC=C(Br)C1 4108273 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.18 CN1CC(N)CC1=O 4014078 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.34 O=C(O)CC1CCC1 4028895 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.40 NCC(=O)NC1CC1 4031002 [0,1,0,1,0,0|1,0,0]=3 155 B8R1.40 O=C(CCl)NC1CC1 4027313 [0,1,0,1,0,0|1,0,0]=3 156 B8R1.42 CC(=O)CC1(C)CC1 4002837 [0,1,0,1,0,0|1,0,0]=3 157 B8R1.51 CC1(C)CCC(=O)C1 4042132 [0,1,0,1,0,0|1,0,0]=3 158 B8R1.51 CC1(C)CNC(=O)C1 4026748 [0,1,0,1,0,0|1,0,0]=3 159 B8R1.51 CC1(C)COC(=O)C1 4108200 [0,1,0,1,0,0|0,0,0]=2 160 B8R1.51 CC1(C)COC(=O)N1 4044911 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.2 NCC1=CCCCC1 4019756 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.2 NCC1CCCCO1 4087791 [0,1,0,1,0,0|1,0,1]=4 163 B8R1.2 O=CC1=COCCO1 4016981 [0,1,0,1,0,0|1,0,1]=4 164 B8R1.3 C[C@@H]1CNC(=O)CN1 4082079 [0,1,0,1,0,0|1,0,0]=3 165 B8R1.3 C[C@H]1CNC(=O)CN1 4084192 [0,1,0,1,0,0|1,0,0]=3 166 B8R1.3 O=C1CCC(O)CC1 4029093 [0,1,0,1,0,0|1,0,0]=3 167 B8R1.3 O=C1NCC(O)CN1 4044966 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.5 CC1NCCNC1=O 4028234 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.5 CC1OCCNC1=O 4045691 [0,1,0,1,0,0|1,0,1]=4 170 B8R1.5 CC1SCCNC1=O 4044376 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.5 CN1CCCNC1=O 4035075 [0,1,0,1,0,0|1,0,0]=3 172 B8R1.5 CN1CCNCC1=O 4102111 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.5 NC1CCCNC1=O 4002400 [0,1,0,1,0,0|1,0,0]=3 174 B8R1.22 O=C1CCNCCN1 4131005 [0,1,0,1,0,0|1,0,0]=3 175 B8R1.22 O=C1CCSCCN1 4036022 [0,1,0,1,0,0|1,0,0]=3 176 B8R1.22 O=C1CNCCCN1 4015468 [0,1,0,1,0,0|1,0,0]=3 177 B8R1.22 O=C1CSCCSC1 4004797 [0,1,0,1,0,0|1,1,0]=4 178 B8R1.38 NNC(=O)C1CCC1 4032586 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.52 CC1(C#N)CCCO1 4027426 [0,1,0,1,0,0|1,0,1]=4 180 B8R1.7 CC(=O)C1CCCC1 4031395 [0,1,0,1,0,0|1,0,0]=3 181 B8R1.7 CC(=O)C1CCCO1 4075977 [0,1,0,1,0,0|0,0,0]=2 182 B8R1.7 O=C(O)C1CCCS1 4045536 [0,1,0,1,0,0|1,1,0]=4 183 B8R1.35 O=C(O)C#CC1CC1 5118948 [0,1,0,1,0,0|2,0,0]=4 184 B8R1.72 CC1(C)CNCCO1 4017656 [0,1,0,1,0,0|1,0,1]=4 185 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 4079353 [0,1,0,1,0,0|2,0,0]=4 186 B8R1.77 CC1(C)CC1C(=O)O 4031328 [0,1,0,1,0,0|2,0,0]=4