0 B7R1.4 NC1C=NNC1=O BBS-00025207 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.4 NC1CCCC1=O BBS-00029499 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.4 NC1CCCC1=O BBS-00033202 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.4 NC1CCSC1=O BBS-00038427 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.4 NN1CCCC1=O BBS-00028647 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.4 N[C@@H]1CCC[C@H]1O BBS-00024811 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.4 N[C@@H]1CONC1=O BBS-00029394 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.4 O=C1NCCC1Br BBS-00032717 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.4 O=C1OCCC1Br BBS-00015213 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 NC1=NCCC1 BBS-00028871 [1,0,0,0,0,0|3,0,0]=4 10 B6R1.2 NC1CCCC1 BBS-00003621 [1,0,0,0,0,0|2,0,1]=4 11 B6R1.2 O=C1C=CCO1 BBS-00003279 [1,0,0,0,0,0|1,0,2]=4 12 B6R1.2 O=C1CCNC1 BBS-00029850 [1,0,0,0,0,0|1,0,0]=2 13 B6R1.2 OC1CCNC1 BBS-00033264 [1,0,0,0,0,0|1,0,2]=4 14 B8R1.11 CCC1CCOC1=O BBS-00035830 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.11 CNC1CCNC1=O BBS-00032814 [0,1,0,0,0,0|2,0,0]=3 16 B8R1.11 CSC1CCCC1N BBS-00032960 [0,1,0,0,0,0|2,0,1]=4 17 B8R1.11 N#CC1=C(N)OCC1 BBS-00025236 [0,1,0,0,0,0|2,0,1]=4 18 B8R1.11 N#CC1CCCC1=N BBS-00032392 [0,1,0,0,0,0|2,0,1]=4 19 B8R1.11 N#CC1CSCC1=O BBS-00027439 [0,1,0,0,0,0|2,0,1]=4 20 B8R1.11 NC1CCCC1CO BBS-00032798 [0,1,0,0,0,0|2,0,1]=4 21 B8R1.11 NCC1CCCC1O BBS-00032845 [0,1,0,0,0,0|1,0,2]=4 22 B8R1.18 CC1SC(=N)NC1=O BBS-00002322 [0,1,0,0,0,0|1,1,1]=4 23 B8R1.18 CC1SC(=O)NC1=O BBS-00036652 [0,1,0,0,0,0|1,1,1]=4 24 B8R1.18 CC1SC(N)=NC1=O BBS-00015546 [0,1,0,0,0,0|1,1,1]=4 25 B8R1.50 CC1CCC(C)C1N BBS-00020134 [0,1,0,0,0,0|2,0,1]=4 26 B8R1.50 CN1C(=O)CNC1=O BBS-00030354 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.50 CN1C(=O)CSC1=S BBS-00036233 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.50 O=C1CCC(=O)N1Br BBS-00004413 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.50 O=C1CCC(=O)N1Cl BBS-00028585 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.1 CCNC(=O)CBr BBS-00032048 [0,0,1,0,0,0|3,0,0]=4 31 B6R0.1 CCOC(=O)CN BBS-00028667 [0,0,1,0,0,0|3,0,0]=4 32 B6R0.1 CCOC(=O)CS BBS-00028808 [0,0,1,0,0,0|3,0,0]=4 33 B6R0.1 CNC(=O)CC#N BBS-00019732 [0,0,1,0,0,0|2,0,1]=4 34 B6R0.1 CNCC(=O)NC BBS-00025000 [0,0,1,0,0,0|3,0,0]=4 35 B6R0.1 CNCC(=O)OC BBS-00020136 [0,0,1,0,0,0|3,0,0]=4 36 B6R0.1 COC(=O)CCN BBS-00022916 [0,0,1,0,0,0|2,0,0]=3 37 B6R0.1 C\C=N\N(C)C=O BBS-00026503 [0,0,1,0,0,0|2,0,1]=4 38 B6R0.3 CCC(Br)C(=O)Cl BBS-00028252 [0,0,1,0,0,0|3,0,0]=4 39 B6R0.3 CCC(N)C(=O)O BBS-00028679 [0,0,1,0,0,0|3,0,0]=4 40 B6R0.3 CCC(N)C(N)=O BBS-00028220 [0,0,1,0,0,0|3,0,0]=4 41 B6R0.3 CCC(O)C(C)Br BBS-00033232 [0,0,1,0,0,0|1,0,2]=4 42 B6R0.3 CN(C)C(=O)CBr BBS-00024967 [0,0,1,0,0,0|3,0,0]=4 43 B6R0.3 CN(C)C(=O)CCl BBS-00000943 [0,0,1,0,0,0|3,0,0]=4 44 B6R0.3 CN(C)C(=O)CN BBS-00036258 [0,0,1,0,0,0|3,0,0]=4 45 B6R0.3 COC(=O)C(=O)[O-] BBS-00022961 [0,0,1,0,0,0|2,0,1]=4 46 B6R0.3 COC(=O)C(=O)[O-] BBS-00035022 [0,0,1,0,0,0|2,0,1]=4 47 B6R0.3 COC(=O)C(C)Br BBS-00028786 [0,0,1,0,0,0|2,0,0]=3 48 B6R0.3 COC(=O)C(C)Cl BBS-00028077 [0,0,1,0,0,0|2,0,0]=3 49 B6R0.3 COC(=O)C(C)N BBS-00027542 [0,0,1,0,0,0|2,0,0]=3 50 B6R0.3 COC(=O)C(C)O BBS-00028814 [0,0,1,0,0,0|1,0,0]=2 51 B6R0.3 COC(=O)[C@@H](C)N BBS-00011131 [0,0,1,0,0,0|2,0,0]=3 52 B6R0.3 COC(C)C(=N)N BBS-00032075 [0,0,1,0,0,0|2,0,0]=3 53 B6R0.3 COC(C)C(N)=O BBS-00032082 [0,0,1,0,0,0|1,0,0]=2 54 B6R0.6 C(C)=CCCCC BBS-00038760 [0,0,1,0,0,0|2,0,1]=4 55 B6R0.6 CCCCCCBr BBS-00028410 [0,0,1,0,0,0|2,0,1]=4 56 B6R0.6 CCCCCCN BBS-00038930 [0,0,1,0,0,0|2,0,1]=4 57 B6R0.6 CCCCN=C=O BBS-00004256 [0,0,1,0,0,0|2,0,1]=4 58 B6R0.6 CCOCCCN BBS-00016502 [0,0,1,0,0,0|1,0,1]=3 59 B6R0.6 CCOCCCO BBS-00022005 [0,0,1,0,0,0|0,0,2]=3 60 B8R2.38 O=C1OCC2CC12 BBS-00027240 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.4 CC1CCCC(C)N1 BBS-00000942 [0,0,0,0,0,1|2,0,1]=4 62 B8R1.4 CC1CCCC(O)C1 BBS-00028120 [0,0,0,0,0,1|1,0,2]=4 63 B8R1.4 CN1CCCC(=O)C1 BBS-00032400 [0,0,0,0,0,1|2,0,0]=3 64 B8R1.4 NC1=CC(=O)CCC1 BBS-00015058 [0,0,0,0,0,1|2,0,1]=4 65 B8R1.4 O=C1C=C(Cl)CCC1 BBS-00015055 [0,0,0,0,0,1|2,0,1]=4 66 B8R1.5 CC1NCCOC1C BBS-00032800 [0,0,0,0,0,1|1,0,1]=3 67 B8R1.5 CC1NCCSC1C BBS-00032745 [0,0,0,0,0,1|1,1,1]=4 68 B8R1.5 C[C@@H]1NCCN[C@@H]1C BBS-00027245 [0,0,0,0,0,1|2,0,1]=4 69 B8R1.5 NC1CCCCC1=O BBS-00031889 [0,0,0,0,0,1|2,0,0]=3 70 B8R1.5 O=C1CCCC=C1O BBS-00026328 [0,0,0,0,0,1|2,0,1]=4 71 B8R1.5 O=C1NCCNC1=O BBS-00016501 [0,0,0,0,0,1|2,0,1]=4 72 B5R0.1 CC(N)CCO BBS-00017066 [1,0,1,0,0,0|1,0,1]=4 73 B5R0.1 CNCC(=O)O BBS-00022461 [1,0,1,0,0,0|2,0,0]=4 74 B5R0.1 CNCC(N)=O BBS-00031965 [1,0,1,0,0,0|2,0,0]=4 75 B5R0.1 COCC(C)N BBS-00028799 [1,0,1,0,0,0|1,0,1]=4 76 B5R0.1 NCCC(=O)O BBS-00028074 [1,0,1,0,0,0|2,0,0]=4 77 B5R0.1 NOCC(=O)O BBS-00039484 [1,0,1,0,0,0|2,0,0]=4 78 B5R0.1 O=C(O)CCS BBS-00038803 [1,0,1,0,0,0|1,1,0]=4 79 B5R0.2 CCCCCBr BBS-00028412 [1,0,1,0,0,0|1,0,1]=4 80 B5R0.2 CCCCON BBS-00029329 [1,0,1,0,0,0|2,0,0]=4 81 B5R0.2 CCCN=C=O BBS-00020505 [1,0,1,0,0,0|1,0,1]=4 82 B5R0.2 CCSCCO BBS-00015661 [1,0,1,0,0,0|1,0,0]=3 83 B5R0.2 COCCCN BBS-00028319 [1,0,1,0,0,0|1,0,1]=4 84 B5R0.2 COCCNN BBS-00024829 [1,0,1,0,0,0|2,0,0]=4 85 B5R0.2 COCCNN BBS-00032972 [1,0,1,0,0,0|2,0,0]=4 86 B5R0.2 OCCCCCl BBS-00028970 [1,0,1,0,0,0|1,0,1]=4 87 B5R0.3 C(=O)C(O)CO BBS-00029374 [1,0,1,0,0,0|2,0,0]=4 88 B5R0.3 C(C)=C(\C)CO BBS-00029567 [1,0,1,0,0,0|1,0,1]=4 89 B5R0.3 CCC(=O)NN BBS-00028086 [1,0,1,0,0,0|2,0,0]=4 90 B5R0.3 CCC(C)NN BBS-00032568 [1,0,1,0,0,0|2,0,0]=4 91 B5R0.3 CCN(N)CC BBS-00006718 [1,0,1,0,0,0|2,0,0]=4 92 B5R0.3 CC\C(N)=N\O BBS-00019746 [1,0,1,0,0,0|2,0,0]=4 93 B5R0.3 CNC(=O)CBr BBS-00025180 [1,0,1,0,0,0|2,0,0]=4 94 B5R0.3 CNC(=O)NC BBS-00036243 [1,0,1,0,0,0|2,0,0]=4 95 B5R0.3 COC(=O)CN BBS-00028749 [1,0,1,0,0,0|2,0,0]=4 96 B5R0.3 NCC(=O)NO BBS-00022565 [1,0,1,0,0,0|2,0,0]=4 97 B5R0.3 O=C(CCl)CCl BBS-00020931 [1,0,1,0,0,0|2,0,0]=4 98 B5R0.5 CC(N)C(=O)O BBS-00003820 [1,0,1,0,0,0|2,0,0]=4 99 B5R0.5 CC(N)C(N)=O BBS-00028694 [1,0,1,0,0,0|2,0,0]=4 100 B5R0.5 CC(O)C(=O)[O-] BBS-00028838 [1,0,1,0,0,0|1,0,0]=3 101 B5R0.5 CC(O)C(=O)[O-] BBS-00038938 [1,0,1,0,0,0|1,0,0]=3 102 B5R0.5 CN(C)C(=O)Cl BBS-00004352 [1,0,1,0,0,0|2,0,0]=4 103 B5R0.5 C[C@H](N)C(=O)O BBS-00039166 [1,0,1,0,0,0|2,0,0]=4 104 B5R1.1 C1CCNC1 BBS-00003603 [2,0,0,0,0,0|1,0,1]=4 105 B7R0.3 CCCNC(=O)CCl BBS-00006591 [0,1,1,0,0,0|2,0,0]=4 106 B7R0.3 CCCOC(=O)CCl BBS-00032534 [0,1,1,0,0,0|2,0,0]=4 107 B7R0.3 NCC(=O)OCCCl BBS-00032179 [0,1,1,0,0,0|2,0,0]=4 108 B7R0.3 NNC(=O)CCCO BBS-00004637 [0,1,1,0,0,0|2,0,0]=4 109 B7R0.5 CC(=O)C(C)CCO BBS-00023798 [0,1,1,0,0,0|2,0,0]=4 110 B7R0.5 CCCC(N)C(=O)O BBS-00028258 [0,1,1,0,0,0|2,0,0]=4 111 B7R0.5 CCOC(=O)C(=O)[O-] BBS-00033022 [0,1,1,0,0,0|1,0,1]=4 112 B7R0.5 CCOC(=O)C(C)Br BBS-00029301 [0,1,1,0,0,0|2,0,0]=4 113 B7R0.5 CCOC(=O)C(C)N BBS-00028471 [0,1,1,0,0,0|2,0,0]=4 114 B7R0.5 CN(C)C(=O)CCBr BBS-00032061 [0,1,1,0,0,0|2,0,0]=4 115 B7R0.7 CCCC(=O)CCC BBS-00038797 [0,1,1,0,0,0|1,0,0]=3 116 B7R0.7 CCNC(=O)CC#N BBS-00038381 [0,1,1,0,0,0|1,0,1]=4 117 B7R0.7 CCNC(=O)CCN BBS-00032030 [0,1,1,0,0,0|1,0,0]=3 118 B7R0.7 CCOC(=O)CCN BBS-00027448 [0,1,1,0,0,0|1,0,0]=3 119 B7R0.7 CCOC(=O)CNC BBS-00025572 [0,1,1,0,0,0|2,0,0]=4 120 B7R0.7 CCOC(=O)CNN BBS-00024783 [0,1,1,0,0,0|2,0,0]=4 121 B7R0.7 CN(CCO)CCO BBS-00028413 [0,1,1,0,0,0|2,0,0]=4 122 B7R0.7 COCC(N)CCO BBS-00032549 [0,1,1,0,0,0|1,0,1]=4 123 B7R0.7 CSCC(N)CCO BBS-00032900 [0,1,1,0,0,0|1,0,1]=4 124 B7R0.10 COC(=O)C(N)CO BBS-00022913 [0,1,1,0,0,0|1,0,0]=3 125 B7R0.10 COC(=O)C(N)CO BBS-00028911 [0,1,1,0,0,0|1,0,0]=3 126 B7R0.10 COC(=O)C(N)CS BBS-00028309 [0,1,1,0,0,0|1,1,0]=4 127 B7R0.11 CCS(=O)(=O)CCN BBS-00021762 [0,1,1,0,0,0|2,0,0]=4 128 B7R0.11 CC[N+](C)(C)CCO BBS-00033225 [0,1,1,0,0,0|2,0,0]=4 129 B7R0.14 CC(C)(C)C(=O)CCl BBS-00028320 [0,1,1,0,0,0|2,0,0]=4 130 B7R0.15 CCC(CC)C(=O)O BBS-00028436 [0,1,1,0,0,0|2,0,0]=4 131 B7R0.15 COC(OC)C(C)N BBS-00029944 [0,1,1,0,0,0|1,0,1]=4 132 B7R0.16 CC(=O)C(Cl)C(C)=O BBS-00027736 [0,1,1,0,0,0|2,0,0]=4 133 B7R0.16 CC(Cl)C(=O)N(C)C BBS-00021219 [0,1,1,0,0,0|2,0,0]=4 134 B7R0.4 CC(C)OCCCN BBS-00028801 [0,1,1,0,0,0|1,0,1]=4 135 B7R0.4 CCCCNC(N)=O BBS-00036312 [0,1,1,0,0,0|2,0,0]=4 136 B7R0.4 CNCCCC(=O)O BBS-00027557 [0,1,1,0,0,0|2,0,0]=4 137 B7R0.4 COCCCC(=O)O BBS-00025182 [0,1,1,0,0,0|2,0,0]=4 138 B7R0.4 NCCCCC(=O)O BBS-00027472 [0,1,1,0,0,0|2,0,0]=4 139 B7R1.1 BrCC1CCCC1 BBS-00022002 [1,1,0,0,0,0|1,0,1]=4 140 B7R1.1 BrCC1CCCO1 BBS-00028105 [1,1,0,0,0,0|0,0,1]=3 141 B7R1.1 BrCC1CCOC1 BBS-00032899 [1,1,0,0,0,0|1,0,1]=4 142 B7R1.1 ClCC1CCCO1 BBS-00003854 [1,1,0,0,0,0|0,0,1]=3 143 B7R1.1 NCC1CCCC1 BBS-00024973 [1,1,0,0,0,0|1,0,1]=4 144 B7R1.1 NCC1CCCO1 BBS-00008019 [1,1,0,0,0,0|0,0,1]=3 145 B7R1.1 OCC1CCCC1 BBS-00024959 [1,1,0,0,0,0|1,0,1]=4 146 B7R1.1 ON=C1CCCC1 BBS-00028419 [1,1,0,0,0,0|1,0,1]=4 147 B7R1.2 CC1CCC(C)N1 BBS-00003116 [1,1,0,0,0,0|1,0,1]=4 148 B7R1.2 NC1=CC(=O)CC1 BBS-00025192 [1,1,0,0,0,0|1,0,1]=4 149 B7R1.2 O=C1CCC(=O)N1 BBS-00004334 [1,1,0,0,0,0|2,0,0]=4 150 B7R1.2 [NH3+]C1CNC(=O)C1 BBS-00024551 [1,1,0,0,0,0|2,0,0]=4 151 B9R1.2 CC1CN(N=O)CCO1 BBS-00037173 [0,1,0,0,0,1|1,0,0]=3 152 B9R1.2 CCN1CCCC(=O)C1 BBS-00032402 [0,1,0,0,0,1|2,0,0]=4 153 B9R1.34 CC1=CC(=O)CC(=O)O1 BBS-00036309 [0,1,0,0,0,1|0,0,2]=4 154 B9R1.34 CC1CC(=O)CC(=O)C1 BBS-00005780 [0,1,0,0,0,1|1,0,1]=4 155 B9R1.15 CC1COCCN1N=O BBS-00037174 [0,1,0,0,0,1|1,0,0]=3 156 B9R1.27 O=C1CCC(=O)N1CO BBS-00004790 [0,2,0,0,0,0|2,0,0]=4 157 B9R1.33 O=C1CCCN1CCBr BBS-00032617 [0,2,0,0,0,0|2,0,0]=4 158 B9R1.132 CNC1CCN(C)C1=O BBS-00032901 [0,2,0,0,0,0|2,0,0]=4 159 B9R1.138 O=C1CCS(=O)(=O)C1Br BBS-00029346 [0,2,0,0,0,0|1,1,0]=4 160 B7R1.3 NC1CCOCC1 BBS-00017027 [0,0,1,1,0,0|1,0,1]=4 161 B7R1.3 NN1CCOCC1 BBS-00006488 [0,0,1,1,0,0|2,0,0]=4 162 B7R1.3 O=C1C=COCC1 BBS-00032488 [0,0,1,1,0,0|0,0,2]=4 163 B7R1.3 O=C1CCCCN1 BBS-00039482 [0,0,1,1,0,0|2,0,0]=4 164 B7R1.3 O=C1CCSCC1 BBS-00036766 [0,0,1,1,0,0|0,1,0]=3 165 B7R1.3 OC1CCOCC1 BBS-00017028 [0,0,1,1,0,0|0,0,2]=4 166 B7R1.22 CNC(=O)C1CC1 BBS-00025113 [0,0,1,1,0,0|2,0,0]=4 167 B7R1.22 O=C(CBr)C1CC1 BBS-00013080 [0,0,1,1,0,0|2,0,0]=4 168 B7R1.18 NC(=O)C1CCC1 BBS-00025117 [0,0,1,1,0,0|2,0,0]=4 169 B7R1.19 CC1(C(=O)O)CC1 BBS-00017201 [0,0,1,1,0,0|2,0,0]=4 170 B7R1.19 CC1(C(N)=O)CC1 BBS-00020997 [0,0,1,1,0,0|2,0,0]=4 171 B7R2.13 C1CC2CC2N1 BBS-00026245 [1,0,0,1,0,0|1,0,1]=4 172 B7R2.13 C1OCC2OC12 BBS-00017851 [1,0,0,1,0,0|0,0,2]=4 173 B9R2.20 O=C1NCC2CCC12 BBS-00029409 [0,1,0,1,0,0|2,0,0]=4 174 B5R1.2 CC1CCN1 BBS-00016641 [1,0,0,0,1,0|1,0,0]=3 175 B5R1.4 C[C@@H]1C[C@H]1N BBS-00016702 [0,0,0,0,2,0|1,0,1]=4 176 B9R1.5 O=C1NCCCCC1Br BBS-00027709 [0,0,0,0,0,2|2,0,0]=4