0 B7R0.3 C#CCNC(=O)NC MCULE-5171868572 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.3 C=CC=CC(=O)OC MCULE-1940821537 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.3 C=CCCC(=O)NC MCULE-9859680580 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.3 CC#CCC(=O)OC MCULE-4727663716 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.3 CC/C=C/C(=O)OC MCULE-5661442711 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.3 CC/C=C/C(C)CC MCULE-2438890702 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.3 CC=C(C)C=NNC MCULE-5058431186 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.3 CC=NNC(=S)NC MCULE-3608462649 [0,0,0,0,0,0|3,1,0]=4 10 B7R0.3 CCC(=O)/C=C/C=O MCULE-5654548275 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.3 CCC(=O)C=CC=O MCULE-8246295239 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.3 CCC(=O)OCOC MCULE-8101176829 [0,0,0,0,0,0|2,1,1]=4 13 B7R0.3 CCC=CC(=O)OC MCULE-2390679048 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.3 CCC=CC(C)CC MCULE-8910467842 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.3 CCCC=C(C)CC MCULE-4699949699 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.3 CCCCC(=O)CC MCULE-7758340382 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.3 CCCCC(=O)NC MCULE-6810865419 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.3 CCCCC(=O)NN MCULE-9535710488 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.3 CCCNC(=O)NN MCULE-9369722445 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.3 CCCOC(=O)CC MCULE-2749425161 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.3 CCNCC(=O)NC MCULE-6292959559 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.3 CCNCC(=O)OC MCULE-7988488004 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.3 CCNCC(=O)OC MCULE-9483901468 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.3 CCOCC(=O)NN MCULE-1157330147 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.3 CCOCC(=O)NN MCULE-3371253482 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.3 CCSCC(=O)NN MCULE-2532030709 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.3 CCSCC(=O)OC MCULE-2538182357 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.3 CNC(=O)C=CCN MCULE-3646722223 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.3 CNC(=O)C=CCN MCULE-6988679780 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.3 CNC(=O)CCCCl MCULE-9460684794 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.3 CNC(=O)CCCN MCULE-4766031038 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.3 CNC(=O)CCCN MCULE-8992476653 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.3 CNC(=O)CCOC MCULE-1263122933 [0,0,0,0,0,0|0,1,2]=3 38 B7R0.3 CNC(=O)CN=N#N MCULE-3027813188 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.3 CNC(=O)NCCN MCULE-4075769099 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.3 CNC(=O)NCCN MCULE-9668937902 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.3 CNC(=O)NCCO MCULE-7936045962 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.3 CNC(=O)OCCCl MCULE-9946450406 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.3 CNC(=O)OCCO MCULE-7181085118 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.3 CNC(C)CCSC MCULE-2095620023 [0,0,0,0,0,0|1,0,3]=4 45 B7R0.3 CNCCC(=O)NC MCULE-1793457920 [0,0,0,0,0,0|1,0,2]=3 46 B7R0.3 CNCCC(=O)NC MCULE-7089073664 [0,0,0,0,0,0|1,0,2]=3 47 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [0,0,0,0,0,0|2,0,2]=4 48 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [0,0,0,0,0,0|2,0,2]=4 49 B7R0.3 CNOCC(=O)OC MCULE-1491246414 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.3 CNOCC(=O)OC MCULE-2119135006 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.3 CO/C=C/C(=O)OC MCULE-8858181328 [0,0,0,0,0,0|1,1,0]=2 52 B7R0.3 COC(=O)/C=C/CBr MCULE-5511432414 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.3 COC(=O)/C=C/CN MCULE-6249542756 [0,0,0,0,0,0|3,0,0]=3 54 B7R0.3 COC(=O)/C=C/CN MCULE-7014993899 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.3 COC(=O)/C=C\CBr MCULE-5925439397 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.3 COC(=O)C=CC=O MCULE-3663456611 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.3 COC(=O)C=CCBr MCULE-1558782396 [0,0,0,0,0,0|3,0,0]=3 58 B7R0.3 COC(=O)C=CCN MCULE-4573398613 [0,0,0,0,0,0|3,0,0]=3 59 B7R0.3 COC(=O)C=CCN MCULE-4807348004 [0,0,0,0,0,0|3,0,0]=3 60 B7R0.3 COC(=O)C=CCN MCULE-7751483147 [0,0,0,0,0,0|3,0,0]=3 61 B7R0.3 COC(=O)CCSC MCULE-8525618169 [0,0,0,0,0,0|1,0,2]=3 62 B7R0.3 COC=CC(=O)OC MCULE-3167643214 [0,0,0,0,0,0|1,1,0]=2 63 B7R0.3 COCCC(=O)NN MCULE-6895114863 [0,0,0,0,0,0|1,1,2]=4 64 B7R0.3 COCCC(=O)OC MCULE-5918489580 [0,0,0,0,0,0|1,1,2]=4 65 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [1,0,0,0,0,0|1,0,0]=2 66 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [1,0,0,0,0,0|1,0,0]=2 67 B6R0.1 C=C=CC(=O)OC MCULE-7885631451 [1,0,0,0,0,0|1,0,2]=4 68 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [1,0,0,0,0,0|0,0,2]=3 69 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [1,0,0,0,0,0|1,0,2]=4 70 B6R0.1 C=COC(=O)CC MCULE-7662621547 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.1 CC#CC(=O)NN MCULE-2475728417 [1,0,0,0,0,0|1,0,2]=4 72 B6R0.1 CC#CC(=O)OC MCULE-6108678475 [1,0,0,0,0,0|1,0,2]=4 73 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [1,0,0,0,0,0|1,0,0]=2 74 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.1 CCC(=O)CNC MCULE-3030105640 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.1 CCC(=O)CNC MCULE-6945295017 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.1 CCC(=O)COC MCULE-1087802011 [1,0,0,0,0,0|1,1,1]=4 78 B6R0.1 CCC(=O)CSC MCULE-3230433182 [1,0,0,0,0,0|1,0,1]=3 79 B6R0.1 CCC(=O)NOC MCULE-4440074406 [1,0,0,0,0,0|2,1,0]=4 80 B6R0.1 CCCC(=O)CC MCULE-7121523805 [1,0,0,0,0,0|1,0,2]=4 81 B6R0.1 CCCC(=O)NC MCULE-5770149071 [1,0,0,0,0,0|0,0,2]=3 82 B6R0.1 CCCC(=O)NN MCULE-3660167295 [1,0,0,0,0,0|1,0,2]=4 83 B6R0.1 CCCC(=O)NO MCULE-8710375368 [1,0,0,0,0,0|1,0,2]=4 84 B6R0.1 CCCC(=O)OC MCULE-1092030267 [1,0,0,0,0,0|1,0,2]=4 85 B6R0.1 CCCC(=O)SC MCULE-1490654381 [1,0,0,0,0,0|1,0,2]=4 86 B6R0.1 CCNC(=O)CC MCULE-8820594723 [1,0,0,0,0,0|2,0,1]=4 87 B6R0.1 CCNC(=O)NC MCULE-7197803115 [1,0,0,0,0,0|1,0,1]=3 88 B6R0.1 CCNC(=O)NN MCULE-9055200574 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.1 CCNC(=O)NO MCULE-3264850022 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.1 CCNC(=O)OC MCULE-7110705188 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.1 CCOC(=O)CC MCULE-1639864693 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.1 CCOC(=O)NC MCULE-5506841198 [1,0,0,0,0,0|1,0,1]=3 93 B6R0.1 CCOC(=O)NN MCULE-9872948119 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.1 CCOC(=O)NO MCULE-4701193610 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.1 CCOC(=O)OC MCULE-1185162684 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.1 CCSC(=O)CC MCULE-6361738004 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.1 CNC(=O)CC#N MCULE-2970000161 [1,0,0,0,0,0|1,0,2]=4 98 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [1,0,0,0,0,0|1,0,2]=4 99 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [1,0,0,0,0,0|1,0,2]=4 100 B6R0.1 CNC(=O)CCN MCULE-1374127264 [1,0,0,0,0,0|1,0,2]=4 101 B6R0.1 CNC(=O)CCN MCULE-3948893656 [1,0,0,0,0,0|1,0,2]=4 102 B6R0.1 CNC(=O)CCO MCULE-3222339741 [1,0,0,0,0,0|0,1,2]=4 103 B6R0.1 CNC(=O)CCS MCULE-2385806944 [1,0,0,0,0,0|0,0,2]=3 104 B6R0.1 CNC(=O)CON MCULE-6451598359 [1,0,0,0,0,0|1,1,1]=4 105 B6R0.1 CNC(=O)CON MCULE-8743298594 [1,0,0,0,0,0|1,1,1]=4 106 B6R0.1 CNC(C)CSC MCULE-8293407208 [1,0,0,0,0,0|1,0,2]=4 107 B6R0.1 CNCC(=O)NC MCULE-4579550577 [1,0,0,0,0,0|1,0,1]=3 108 B6R0.1 CNCC(=O)NC MCULE-7833395637 [1,0,0,0,0,0|1,0,1]=3 109 B6R0.1 CNCC(=O)NN MCULE-8639164023 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.1 CNCC(=O)OC MCULE-1667683926 [1,0,0,0,0,0|2,0,1]=4 111 B6R0.1 CNCC(=O)OC MCULE-5530863658 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.1 CNNC(=O)OC MCULE-4763095719 [1,0,0,0,0,0|3,0,0]=4 113 B6R0.1 COC(=O)/C=C/Br MCULE-8282646495 [1,0,0,0,0,0|2,0,0]=3 114 B6R0.1 COC(=O)/C=C/I MCULE-2652779390 [1,0,0,0,0,0|2,0,0]=3 115 B6R0.1 COC(=O)/C=C\Br MCULE-8147758029 [1,0,0,0,0,0|2,0,0]=3 116 B6R0.1 COC(=O)/C=C\I MCULE-9091408550 [1,0,0,0,0,0|2,0,0]=3 117 B6R0.1 COC(=O)C=CBr MCULE-6878439912 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.1 COC(=O)C=CCl MCULE-6895925134 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.1 COC(=O)C=CI MCULE-1616048599 [1,0,0,0,0,0|2,0,0]=3 120 B6R0.1 COC(=O)C=CN MCULE-4685220707 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.1 COC(=O)CC=O MCULE-6624474559 [1,0,0,0,0,0|1,1,1]=4 122 B6R0.1 COC(=O)CCS MCULE-1695345183 [1,0,0,0,0,0|1,0,2]=4 123 B6R0.1 COC(=O)CSC MCULE-6735536033 [1,0,0,0,0,0|1,0,1]=3 124 B6R0.1 COC(=O)NC=O MCULE-9852632340 [1,0,0,0,0,0|2,1,0]=4 125 B6R0.1 COCC(=O)NN MCULE-4127487886 [1,0,0,0,0,0|1,1,1]=4 126 B6R0.1 COCC(=O)OC MCULE-8337685268 [1,0,0,0,0,0|1,1,1]=4 127 B6R0.1 CONC(=O)OC MCULE-9304532248 [1,0,0,0,0,0|2,1,0]=4 128 B6R0.1 CSCC(=O)NN MCULE-8151954663 [1,0,0,0,0,0|1,0,1]=3 129 B6R0.1 NNC(=O)CCS MCULE-9322963076 [1,0,0,0,0,0|1,0,2]=4 130 B6R0.1 O=C(C=CCl)CCl MCULE-6121304267 [1,0,0,0,0,0|3,0,0]=4 131 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,0,0,0,0,0|1,0,1]=3 133 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [1,0,0,0,0,0|3,0,0]=4 135 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.4 C=CC=CC(=O)Cl MCULE-6383997047 [1,0,0,0,0,0|2,0,1]=4 137 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.4 CC/C=C/C(=N)N MCULE-7871697378 [1,0,0,0,0,0|2,0,0]=3 139 B6R0.4 CC/C=C/C(=N)N MCULE-9276291098 [1,0,0,0,0,0|2,0,0]=3 140 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,0,0,0,0,0|2,0,0]=3 142 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [1,0,0,0,0,0|3,0,0]=4 144 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [1,0,0,0,0,0|1,0,2]=4 145 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [1,0,0,0,0,0|1,0,0]=2 146 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [1,0,0,0,0,0|2,0,0]=3 147 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,0,0,0,0,0|2,0,0]=3 148 B6R0.4 CCCC=C(C)C MCULE-2110588796 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,0,0,0,0,0|1,0,2]=4 150 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,0,0,0,0,0|1,0,2]=4 151 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,0,0,0,0,0|2,0,1]=4 152 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,0,0,0,0,0|2,0,1]=4 159 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,0,0,0,0,0|1,0,2]=4 163 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,0,0,0,0,0|1,0,2]=4 164 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [1,0,0,0,0,0|0,1,0]=2 165 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,0,0,0,0,0|1,1,0]=3 166 B6R0.4 COC=CC(=O)C MCULE-4868833764 [1,0,0,0,0,0|0,1,0]=2 167 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [1,0,0,0,0,0|1,1,0]=3 168 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,0,0,0,0,0|1,1,0]=3 169 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,0,0,0,0,0|0,1,2]=4 170 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,0,0,0,0,0|0,1,2]=4 171 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,0,0,0,0,0|1,1,1]=4 172 B6R0.4 COCOC(=O)C MCULE-8876091916 [1,0,0,0,0,0|1,1,1]=4 173 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,0,0,0,0,0|2,1,0]=4 174 B6R0.4 CSCCC(=N)N MCULE-3926353306 [1,0,0,0,0,0|1,0,2]=4 175 B6R0.4 CSCCC(=N)N MCULE-4451485733 [1,0,0,0,0,0|1,0,2]=4 176 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,0,0,0,0,0|0,0,2]=3 177 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,0,0,0,0,0|1,0,2]=4 178 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,0,0,0,0,0|0,0,2]=3 179 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,0,0,0,0,0|1,0,2]=4 180 B6R0.4 CSCOC(=O)C MCULE-1498769347 [1,0,0,0,0,0|1,0,1]=3 181 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [1,0,0,0,0,0|3,0,0]=4 183 B6R0.4 N/N=C/NC(=O)N MCULE-6272806279 [1,0,0,0,0,0|3,0,0]=4 184 B6R0.4 N/N=C/NC(=O)N MCULE-7518775080 [1,0,0,0,0,0|3,0,0]=4 185 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,0,0,0,0,0|3,0,0]=4 186 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,0,0,0,0,0|3,0,0]=4 187 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,0,0,0,0,0|3,0,0]=4 188 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,0,0,0,0,0|3,0,0]=4 189 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,0,0,0,0,0|3,0,0]=4 190 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,0,0,0,0,0|3,0,0]=4 191 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,0,0,0,0,0|3,0,0]=4 192 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,0,0,0,0,0|3,0,0]=4 193 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,0,0,0,0,0|3,0,0]=4 194 B6R0.6 C/C=C/C=C/C#N MCULE-3461215979 [1,0,0,0,0,0|3,0,0]=4 195 B6R0.6 C/C=C/C=C/C=O MCULE-9837225903 [1,0,0,0,0,0|3,0,0]=4 196 B6R0.6 C/C=C/C=C/CO MCULE-3717958585 [1,0,0,0,0,0|3,0,0]=4 197 B6R0.6 CC/C=C/CCC MCULE-5222700461 [1,0,0,0,0,0|2,0,1]=4 198 B6R0.6 CC=CC=CC#N MCULE-2944741082 [1,0,0,0,0,0|3,0,0]=4 199 B6R0.6 CC=CC=CC=O MCULE-7370101773 [1,0,0,0,0,0|3,0,0]=4 200 B6R0.6 CC=CC=CCN MCULE-9780064235 [1,0,0,0,0,0|3,0,0]=4 201 B6R0.6 CC=CC=CCO MCULE-1802738822 [1,0,0,0,0,0|3,0,0]=4 202 B6R0.6 CCC=CCCC MCULE-3739501724 [1,0,0,0,0,0|2,0,1]=4 203 B6R0.6 CCC=COCC MCULE-1991976030 [1,0,0,0,0,0|3,0,0]=4 204 B6R0.6 CNCCCSC MCULE-6553998750 [1,0,0,0,0,0|0,0,3]=4 205 B8R0.1 C=CC=CC(=O)OCC MCULE-4508819548 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.1 CC/C=C/C(=O)OCC MCULE-6281513551 [0,1,0,0,0,0|2,0,0]=3 207 B8R0.1 CCC=CC(=O)OCC MCULE-2840510617 [0,1,0,0,0,0|2,0,0]=3 208 B8R0.1 CCCNC(=O)CNC MCULE-3183907339 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.1 CCCNC(=O)CNC MCULE-9204845590 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.1 CCCNC(=O)NCC MCULE-5842395608 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.1 CCNCC(=O)NCC MCULE-2852589977 [0,1,0,0,0,0|2,0,1]=4 212 B8R0.1 CCOC(=O)/C=C/C=O MCULE-9219622537 [0,1,0,0,0,0|3,0,0]=4 213 B8R0.1 CCOC(=O)/C=C/CBr MCULE-5352661836 [0,1,0,0,0,0|3,0,0]=4 214 B8R0.1 CCOC(=O)/C=C/CO MCULE-7879343808 [0,1,0,0,0,0|3,0,0]=4 215 B8R0.1 CCOC(=O)/C=C\C#N MCULE-4457021806 [0,1,0,0,0,0|3,0,0]=4 216 B8R0.1 CCOC(=O)/C=N/NC MCULE-1711872477 [0,1,0,0,0,0|3,0,0]=4 217 B8R0.1 CCOC(=O)/C=N/OC MCULE-3959533877 [0,1,0,0,0,0|2,1,0]=4 218 B8R0.1 CCOC(=O)C=CC#N MCULE-2321976691 [0,1,0,0,0,0|3,0,0]=4 219 B8R0.1 CCOC(=O)C=CC=O MCULE-7165096046 [0,1,0,0,0,0|3,0,0]=4 220 B8R0.1 CCOC(=O)C=CCBr MCULE-6455444227 [0,1,0,0,0,0|3,0,0]=4 221 B8R0.1 CCOC(=O)C=CCCl MCULE-7995326623 [0,1,0,0,0,0|3,0,0]=4 222 B8R0.1 CCOC(=O)C=CCN MCULE-4129018658 [0,1,0,0,0,0|3,0,0]=4 223 B8R0.1 CCOC(=O)C=CCN MCULE-5635501690 [0,1,0,0,0,0|3,0,0]=4 224 B8R0.1 CCOC(=O)C=CCN MCULE-9641729290 [0,1,0,0,0,0|3,0,0]=4 225 B8R0.1 CCOC(=O)C=CCO MCULE-7710620250 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.1 CCOC(=O)CCSC MCULE-6834820952 [0,1,0,0,0,0|1,0,2]=4 227 B8R0.3 C=C(COC)C(=O)OC MCULE-7593559443 [0,1,0,0,0,0|1,1,1]=4 228 B8R0.3 CCC=C(C)C(=O)OC MCULE-1695208139 [0,1,0,0,0,0|2,0,0]=3 229 B8R0.3 CCCC(=O)C(=O)OC MCULE-5789275467 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.3 CCCC(N)C(=O)NC MCULE-3980097421 [0,1,0,0,0,0|1,0,2]=4 231 B8R0.3 CCNC(=O)C(=O)NC MCULE-1033646355 [0,1,0,0,0,0|2,0,0]=3 232 B8R0.3 CCNC(=O)C(=O)NN MCULE-6591789468 [0,1,0,0,0,0|3,0,0]=4 233 B8R0.3 CCOC(=O)C(=O)CC MCULE-6268795804 [0,1,0,0,0,0|3,0,0]=4 234 B8R0.3 CCOC(=O)C(=O)NC MCULE-7000353340 [0,1,0,0,0,0|2,0,0]=3 235 B8R0.3 CCOC(=O)C(=O)NN MCULE-2508041863 [0,1,0,0,0,0|3,0,0]=4 236 B8R0.3 CNCC(C)C(=O)NC MCULE-2413275831 [0,1,0,0,0,0|1,0,2]=4 237 B8R0.3 CO/C=C(\I)/C(=O)OC MCULE-2050459356 [0,1,0,0,0,0|1,1,0]=3 238 B8R0.3 CO/N=C(\Cl)/C(=O)OC MCULE-8885098005 [0,1,0,0,0,0|2,1,0]=4 239 B8R0.3 COC(=O)C(=CCCl)C MCULE-4648119495 [0,1,0,0,0,0|3,0,0]=4 240 B8R0.3 COC(=O)C(=CCO)C MCULE-7930614060 [0,1,0,0,0,0|3,0,0]=4 241 B8R0.3 COC(=O)C(N)CSC MCULE-6702025743 [0,1,0,0,0,0|1,0,2]=4 242 B8R0.3 COC(=O)C(N)CSC MCULE-7180641175 [0,1,0,0,0,0|1,0,2]=4 243 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-2532401863 [0,1,0,0,0,0|1,0,2]=4 244 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-3321267517 [0,1,0,0,0,0|1,0,2]=4 245 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-5693942065 [0,1,0,0,0,0|1,0,2]=4 246 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-7597642447 [0,1,0,0,0,0|1,0,2]=4 247 B8R0.3 COC=C(I)C(=O)OC MCULE-9702408627 [0,1,0,0,0,0|1,1,0]=3 248 B8R0.3 CON=C(Cl)C(=O)OC MCULE-8277036765 [0,1,0,0,0,0|2,1,0]=4 249 B8R0.3 CON=C(I)C(=O)OC MCULE-5875796121 [0,1,0,0,0,0|2,1,0]=4 250 B8R0.3 CONC(=O)C(=O)OC MCULE-9234071987 [0,1,0,0,0,0|2,1,0]=4 251 B8R0.6 C/C=C/C=C/C(=O)NO MCULE-9503665605 [0,1,0,0,0,0|2,0,0]=3 252 B8R0.6 C/C=C/C=C/C(=O)OC MCULE-2985403088 [0,1,0,0,0,0|2,0,0]=3 253 B8R0.6 CC=CC=CC(=O)NO MCULE-8685680181 [0,1,0,0,0,0|2,0,0]=3 254 B8R0.6 CC=CC=CC(=O)OC MCULE-4040454111 [0,1,0,0,0,0|2,0,0]=3 255 B8R0.6 CCC/C=C/C(=O)OC MCULE-6273561448 [0,1,0,0,0,0|2,0,0]=3 256 B8R0.6 CCC=CCC(=O)OC MCULE-6432541061 [0,1,0,0,0,0|2,0,0]=3 257 B8R0.6 CCCC=CC(=O)OC MCULE-1227063444 [0,1,0,0,0,0|2,0,0]=3 258 B8R0.6 CCCCNC(=O)NC MCULE-7920588549 [0,1,0,0,0,0|1,0,2]=4 259 B8R0.6 CCCNCC(=O)NC MCULE-4750972571 [0,1,0,0,0,0|1,0,2]=4 260 B8R0.6 CCNCCC(=O)NC MCULE-8230774906 [0,1,0,0,0,0|1,0,2]=4 261 B8R0.6 CCNCCC(=O)NC MCULE-9131674592 [0,1,0,0,0,0|1,0,2]=4 262 B8R0.6 CCSCCC(=O)OC MCULE-5773388371 [0,1,0,0,0,0|1,0,2]=4 263 B8R0.6 CNC(=O)NCCCO MCULE-3093590717 [0,1,0,0,0,0|2,0,1]=4 264 B8R0.6 CNCCNC(=O)NC MCULE-2973659795 [0,1,0,0,0,0|1,0,2]=4 265 B8R0.6 COC(=O)CCCSC MCULE-7320944174 [0,1,0,0,0,0|1,0,2]=4 266 B8R0.6 COC/C=C/C(=O)OC MCULE-5611593935 [0,1,0,0,0,0|1,1,0]=3 267 B8R0.6 COCC=CC(=O)OC MCULE-1098723055 [0,1,0,0,0,0|1,1,0]=3 268 B8R0.8 CCCCC(=O)N(C)C MCULE-1521248911 [0,1,0,0,0,0|1,0,2]=4 269 B8R0.8 CCNCC(=O)N(C)C MCULE-7864141414 [0,1,0,0,0,0|2,0,1]=4 270 B8R0.8 CNCCC(=O)N(C)C MCULE-6256018690 [0,1,0,0,0,0|1,0,2]=4 271 B8R0.8 CNCCC(=O)N(C)C MCULE-9074335618 [0,1,0,0,0,0|1,0,2]=4 272 B8R0.8 COCCC(=O)N(C)C MCULE-3658554853 [0,1,0,0,0,0|0,1,2]=4 273 B8R0.8 COCNC(=O)N(C)C MCULE-2879447245 [0,1,0,0,0,0|1,1,1]=4 274 B8R0.9 C(=CC(=O)NC)C(=O)O MCULE-6946307549 [0,1,0,0,0,0|2,0,0]=3 275 B8R0.9 CCC(=O)C=CC(=O)O MCULE-2770953486 [0,1,0,0,0,0|3,0,0]=4 276 B8R0.9 CCC(=O)C=CN(C)C MCULE-3652464392 [0,1,0,0,0,0|2,0,0]=3 277 B8R0.9 CNC(=O)/C=C\C(=O)O MCULE-9272095560 [0,1,0,0,0,0|2,0,0]=3 278 B8R0.9 CNC(=O)CNC(=O)C MCULE-3508245247 [0,1,0,0,0,0|2,0,1]=4 279 B8R0.9 CNC(=S)/N=C/N(C)C MCULE-8857253949 [0,1,0,0,0,0|2,1,0]=4 280 B8R0.9 COC(=O)/C=C/B(O)O MCULE-6209327855 [0,1,0,0,0,0|3,0,0]=4 281 B8R0.9 COC(=O)/C=C/C(=O)C MCULE-7597345789 [0,1,0,0,0,0|2,0,0]=3 282 B8R0.9 COC(=O)/C=C/C(=O)N MCULE-9155646828 [0,1,0,0,0,0|3,0,0]=4 283 B8R0.9 COC(=O)/C=C/C(=O)O MCULE-6611318809 [0,1,0,0,0,0|3,0,0]=4 284 B8R0.9 COC(=O)/C=C/C(C)C MCULE-3160224452 [0,1,0,0,0,0|2,0,0]=3 285 B8R0.9 COC(=O)/C=C/N(C)C MCULE-2402483726 [0,1,0,0,0,0|2,0,0]=3 286 B8R0.9 COC(=O)/C=C\C(=O)O MCULE-6268249504 [0,1,0,0,0,0|3,0,0]=4 287 B8R0.9 COC(=O)/N=C/N(C)C MCULE-3421193223 [0,1,0,0,0,0|3,0,0]=4 288 B8R0.9 COC(=O)C=CC(=O)C MCULE-5746687781 [0,1,0,0,0,0|2,0,0]=3 289 B8R0.9 COC(=O)C=CC(=O)Cl MCULE-8442342779 [0,1,0,0,0,0|3,0,0]=4 290 B8R0.9 COC(=O)C=CC(=O)O MCULE-3111892186 [0,1,0,0,0,0|3,0,0]=4 291 B8R0.9 COC(=O)C=CC(C)C MCULE-8333658639 [0,1,0,0,0,0|2,0,0]=3 292 B8R0.9 COC(=O)N=CN(C)C MCULE-5824976694 [0,1,0,0,0,0|3,0,0]=4 293 B8R0.11 CCC/C=C(/C=O)\CC MCULE-6598454196 [0,1,0,0,0,0|2,0,1]=4 294 B8R0.11 CCCC=C(C=O)CC MCULE-9099763598 [0,1,0,0,0,0|2,0,1]=4 295 B8R0.11 CCO/C=C(\C=O)/CC MCULE-4972624375 [0,1,0,0,0,0|3,0,0]=4 296 B8R0.11 CCOC=C(C=O)CC MCULE-2067466903 [0,1,0,0,0,0|3,0,0]=4 297 B8R0.19 C=CC(=O)NC(=O)NC MCULE-7491775676 [0,1,0,0,0,0|2,0,1]=4 298 B8R0.19 CCC(=O)CC(=O)CC MCULE-9368471361 [0,1,0,0,0,0|2,0,1]=4 299 B8R0.19 CCC(=O)CC(=O)OC MCULE-1605349915 [0,1,0,0,0,0|1,1,1]=4 300 B8R0.19 CCC(=O)OC(=O)CC MCULE-4790806387 [0,1,0,0,0,0|3,0,0]=4 301 B8R0.19 CN/C(=C/C(=O)OC)/C MCULE-6748104823 [0,1,0,0,0,0|1,1,0]=3 302 B8R0.19 CN/C(=C\C(=O)OC)/C MCULE-6583518879 [0,1,0,0,0,0|1,1,0]=3 303 B8R0.19 CNC(=CC(=O)OC)C MCULE-1607524183 [0,1,0,0,0,0|1,1,0]=3 304 B8R0.19 CNC(=N)NC(=N)NC MCULE-7483671708 [0,1,0,0,0,0|3,0,0]=4 305 B8R0.19 CNC(=N)NC(=N)NC MCULE-8173222296 [0,1,0,0,0,0|3,0,0]=4 306 B8R0.19 CNC(=O)CC(=O)NC MCULE-9228601964 [0,1,0,0,0,0|1,0,1]=3 307 B8R0.19 CNC(=O)CC(C)NC MCULE-8409395532 [0,1,0,0,0,0|1,0,2]=4 308 B8R0.19 CNC(=O)CC(C)NC MCULE-9311295772 [0,1,0,0,0,0|1,0,2]=4 309 B8R0.19 CNC(=O)NC(=O)CCl MCULE-3193763796 [0,1,0,0,0,0|3,0,0]=4 310 B8R0.19 COC(=N)CC(=O)OC MCULE-2416316391 [0,1,0,0,0,0|1,1,1]=4 311 B8R0.19 COC(=N)CC(=O)OC MCULE-9193442551 [0,1,0,0,0,0|1,1,1]=4 312 B8R0.19 COC(=O)/C=C(\C)/OC MCULE-8813923973 [0,1,0,0,0,0|1,1,0]=3 313 B8R0.19 COC(=O)C=C(C)C=O MCULE-8776671343 [0,1,0,0,0,0|3,0,0]=4 314 B8R0.19 COC(=O)C=C(C)OC MCULE-1610055087 [0,1,0,0,0,0|1,1,0]=3 315 B8R0.19 COC(=O)C=C(N)CF MCULE-6823347436 [0,1,0,0,0,0|3,0,0]=4 316 B8R0.19 COC(=O)CC(=O)OC MCULE-1727448163 [0,1,0,0,0,0|1,1,1]=4 317 B8R0.19 COC(=O)CC(C)SC MCULE-9425584839 [0,1,0,0,0,0|1,0,2]=4 318 B8R0.19 COC(=O)OC(=O)OC MCULE-4144943626 [0,1,0,0,0,0|2,1,0]=4 319 B8R1.1 CCC1=CC(=O)CC1 MCULE-6681801286 [0,0,0,1,0,0|2,0,0]=3 320 B8R1.1 CCC1=CC=C(O1)C MCULE-5132828893 [0,0,0,1,0,0|2,0,1]=4 321 B8R1.1 CCC1=CC=C(S1)C MCULE-1525253222 [0,0,0,1,0,0|2,1,0]=4 322 B8R1.1 CCC1=NN(C=C1)C MCULE-2715674403 [0,0,0,1,0,0|3,0,0]=4 323 B8R1.1 CCC1=NNC(=C1)C MCULE-4890516961 [0,0,0,1,0,0|3,0,0]=4 324 B8R1.1 CCC1=NNC(=C1)N MCULE-6916452923 [0,0,0,1,0,0|3,0,0]=4 325 B8R1.1 CCC1=NNC(=C1)N MCULE-7462494299 [0,0,0,1,0,0|3,0,0]=4 326 B8R1.1 CCC1=NNC(=C1)N MCULE-9432472621 [0,0,0,1,0,0|3,0,0]=4 327 B8R1.1 CCC1=NNC(=O)C1 MCULE-8387854697 [0,0,0,1,0,0|2,0,1]=4 328 B8R1.1 CCC1CNC(=O)C1 MCULE-1800672545 [0,0,0,1,0,0|1,0,2]=4 329 B8R1.1 CCC1CNC(=O)O1 MCULE-9388725409 [0,0,0,1,0,0|2,0,1]=4 330 B8R1.1 CN1C=CC(=N1)NN MCULE-1801280644 [0,0,0,1,0,0|3,0,0]=4 331 B8R1.1 CN1C=CC(=N1)NN MCULE-2521108346 [0,0,0,1,0,0|3,0,0]=4 332 B8R1.1 CN1C=CC(=N1)NN MCULE-7207664694 [0,0,0,1,0,0|3,0,0]=4 333 B8R1.1 CNC1=CN(N=C1)C MCULE-1159966798 [0,0,0,1,0,0|3,0,0]=4 334 B8R1.1 CNC1=CN(N=C1)C MCULE-6061547804 [0,0,0,1,0,0|3,0,0]=4 335 B8R1.1 CNC1=CN(N=C1)C MCULE-7191607932 [0,0,0,1,0,0|3,0,0]=4 336 B8R1.1 CNC1=NC(=CS1)C MCULE-8870714223 [0,0,0,1,0,0|3,0,0]=4 337 B8R1.1 CNC1=NC=C(S1)C MCULE-3804593079 [0,0,0,1,0,0|2,1,0]=4 338 B8R1.1 CNC1=NN(C=C1)C MCULE-2769708992 [0,0,0,1,0,0|2,0,0]=3 339 B8R1.1 CNC1=NN(C=C1)C MCULE-6116419735 [0,0,0,1,0,0|2,0,0]=3 340 B8R1.1 CNC1CNC(=O)C1 MCULE-1673491824 [0,0,0,1,0,0|1,0,2]=4 341 B8R1.1 CN[C@H]1CNC(=O)C1 MCULE-7859463391 [0,0,0,1,0,0|1,0,2]=4 342 B8R1.1 COC1=CC(=O)CC1 MCULE-7963656232 [0,0,0,1,0,0|1,1,0]=3 343 B8R1.1 COC1=CC(=O)NC1 MCULE-1983848021 [0,0,0,1,0,0|0,1,0]=2 344 B8R1.1 COC1=CC(=O)OC1 MCULE-9199919492 [0,0,0,1,0,0|1,1,0]=3 345 B8R1.1 COC1=NN(C=C1)C MCULE-2889136526 [0,0,0,1,0,0|3,0,0]=4 346 B8R1.1 COC1=NNC(=C1)Br MCULE-7680925084 [0,0,0,1,0,0|2,1,0]=4 347 B8R1.1 COC1=NNC(=C1)N MCULE-5296991453 [0,0,0,1,0,0|2,1,0]=4 348 B8R1.1 COC1=NNC(=C1)N MCULE-5617392960 [0,0,0,1,0,0|2,1,0]=4 349 B8R1.1 COC1CNC(=O)C1 MCULE-2023546447 [0,0,0,1,0,0|0,1,2]=4 350 B8R1.1 CSC1=CC(=CS1)Br MCULE-4250582797 [0,0,0,1,0,0|3,0,0]=4 351 B8R1.1 CSC1=CC(=CS1)C MCULE-1504425261 [0,0,0,1,0,0|3,0,0]=4 352 B8R1.1 CSC1=CC=C(O1)C MCULE-9492880629 [0,0,0,1,0,0|2,0,1]=4 353 B8R1.1 CSC1=CC=C(S1)C MCULE-4604185514 [0,0,0,1,0,0|2,1,0]=4 354 B8R1.1 CSC1=NC(=O)CN1 MCULE-2550909457 [0,0,0,1,0,0|3,0,0]=4 355 B8R1.1 CSC1=NC(=O)CS1 MCULE-8345887508 [0,0,0,1,0,0|3,0,0]=4 356 B8R1.1 CSC1=NNC(=C1)N MCULE-7302768962 [0,0,0,1,0,0|2,0,0]=3 357 B8R1.1 CSC1=NNC(=N1)N MCULE-2069921974 [0,0,0,1,0,0|3,0,0]=4 358 B8R1.1 NCC1=CC(=O)NN1 MCULE-2068219702 [0,0,0,1,0,0|3,0,0]=4 359 B8R1.1 NCC1=CC(=O)NN1 MCULE-4411713656 [0,0,0,1,0,0|3,0,0]=4 360 B8R1.1 NCC1=CC(=O)NO1 MCULE-1130806657 [0,0,0,1,0,0|3,0,0]=4 361 B8R1.1 NCC1=CC(=O)NS1 MCULE-6498362380 [0,0,0,1,0,0|3,0,0]=4 362 B8R1.1 NCC1=CC(=O)NS1 MCULE-6903647725 [0,0,0,1,0,0|3,0,0]=4 363 B8R1.1 O=C1C=C(CO1)CBr MCULE-1493137482 [0,0,0,1,0,0|3,0,0]=4 364 B8R1.1 O=C1C=C(CO1)CI MCULE-7834471824 [0,0,0,1,0,0|3,0,0]=4 365 B8R1.1 O=C1C=C(CO1)CO MCULE-9263407854 [0,0,0,1,0,0|3,0,0]=4 366 B8R1.2 CCC1=CCCC=C1 MCULE-7185315314 [0,0,0,1,0,0|3,0,0]=4 367 B8R1.2 CNC1=CC=CC=C1 MCULE-4290721989 [0,0,0,1,0,0|2,0,1]=4 368 B8R1.2 CNC1=CC=CC=C1 MCULE-6046773954 [0,0,0,1,0,0|2,0,1]=4 369 B8R1.2 CNC1=CC=NC=C1 MCULE-1305875516 [0,0,0,1,0,0|2,0,1]=4 370 B8R1.2 CNC1=CC=NN=C1 MCULE-6277151036 [0,0,0,1,0,0|3,0,0]=4 371 B8R1.2 CNC1=CN=CC=C1 MCULE-1141875372 [0,0,0,1,0,0|3,0,0]=4 372 B8R1.2 CNC1=NC=CC=C1 MCULE-5967125973 [0,0,0,1,0,0|2,0,1]=4 373 B8R1.2 CNC1=NC=NC=C1 MCULE-1427354368 [0,0,0,1,0,0|2,0,1]=4 374 B8R1.2 CNC1=NN=CC=C1 MCULE-6868687132 [0,0,0,1,0,0|3,0,0]=4 375 B8R1.3 C1(CNC(=O)CN1)C MCULE-9891046463 [0,0,0,1,0,0|2,0,1]=4 376 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [0,0,0,1,0,0|2,0,1]=4 377 B8R1.3 CC1=CNC(=O)C=N1 MCULE-2679502239 [0,0,0,1,0,0|2,0,1]=4 378 B8R1.3 CC1=NNC(=O)C=C1 MCULE-2635221520 [0,0,0,1,0,0|2,0,0]=3 379 B8R1.3 CC1C=CC(=O)CC1 MCULE-6972928704 [0,0,0,1,0,0|2,0,0]=3 380 B8R1.3 CC1CCC(=O)NC1 MCULE-1307751847 [0,0,0,1,0,0|1,0,2]=4 381 B8R1.3 CC1CNC(=O)CN1 MCULE-2050820306 [0,0,0,1,0,0|2,0,1]=4 382 B8R1.3 CC1CNC(=O)CN1 MCULE-9509469557 [0,0,0,1,0,0|2,0,1]=4 383 B8R1.3 CC1CNC(=O)CO1 MCULE-6817757578 [0,0,0,1,0,0|2,0,1]=4 384 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1088991552 [0,0,0,1,0,0|2,0,1]=4 385 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1952714815 [0,0,0,1,0,0|2,0,1]=4 386 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-3350871833 [0,0,0,1,0,0|2,0,1]=4 387 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-9637742350 [0,0,0,1,0,0|2,0,1]=4 388 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7192421297 [0,0,0,1,0,0|2,0,1]=4 389 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7394512903 [0,0,0,1,0,0|2,0,1]=4 390 B8R1.3 C[C@H]1CCC(=O)NC1 MCULE-5712112445 [0,0,0,1,0,0|1,0,2]=4 391 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-3373819559 [0,0,0,1,0,0|2,0,1]=4 392 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-4486681671 [0,0,0,1,0,0|2,0,1]=4 393 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-7180229103 [0,0,0,1,0,0|2,0,1]=4 394 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-9466864223 [0,0,0,1,0,0|2,0,1]=4 395 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-6169535590 [0,0,0,1,0,0|2,0,1]=4 396 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-8876635175 [0,0,0,1,0,0|2,0,1]=4 397 B8R1.3 O=C1C=CC(=CN1)Br MCULE-5174732595 [0,0,0,1,0,0|2,0,1]=4 398 B8R1.3 O=C1C=CC(=NN1)Cl MCULE-9091661850 [0,0,0,1,0,0|3,0,0]=4 399 B8R1.3 O=C1C=CC(=NN1)F MCULE-8050086590 [0,0,0,1,0,0|3,0,0]=4 400 B8R1.3 O=C1C=CC(=O)NN1 MCULE-5100178532 [0,0,0,1,0,0|3,0,0]=4 401 B8R1.5 CC1CSCCC1=O MCULE-4565033608 [0,0,0,1,0,0|1,0,2]=4 402 B8R1.5 CN1C=CC=CC1=N MCULE-3355276214 [0,0,0,1,0,0|2,0,1]=4 403 B8R1.5 CN1C=CC=CC1=O MCULE-8858407794 [0,0,0,1,0,0|1,0,1]=3 404 B8R1.5 CN1C=CC=CC1=S MCULE-6944540671 [0,0,0,1,0,0|1,1,1]=4 405 B8R1.5 CN1C=CC=NC1=O MCULE-8455265922 [0,0,0,1,0,0|2,0,1]=4 406 B8R1.5 CN1C=NC=CC1=O MCULE-8061844419 [0,0,0,1,0,0|1,0,1]=3 407 B8R1.5 CN1CCCCC1=O MCULE-9619129797 [0,0,0,1,0,0|1,0,2]=4 408 B8R1.5 CN1CCCNC1=O MCULE-3141639397 [0,0,0,1,0,0|2,0,1]=4 409 B8R1.5 CN1CCNCC1=O MCULE-4783963074 [0,0,0,1,0,0|2,0,1]=4 410 B8R1.5 CN1CCNCC1=O MCULE-7251084542 [0,0,0,1,0,0|2,0,1]=4 411 B8R1.5 CN1CCNCC1=O MCULE-9201460493 [0,0,0,1,0,0|2,0,1]=4 412 B8R1.5 CN1CCNCC1=O MCULE-9789420240 [0,0,0,1,0,0|2,0,1]=4 413 B8R1.5 CN1CCOCC1=O MCULE-8864378597 [0,0,0,1,0,0|2,0,1]=4 414 B8R1.5 NN1C=CC=CC1=O MCULE-6844638196 [0,0,0,1,0,0|2,0,1]=4 415 B8R1.5 O=C1C=CC=CN1O MCULE-1310193547 [0,0,0,1,0,0|2,0,1]=4 416 B8R1.22 O=C1C=CCCCC1 MCULE-5281461360 [0,0,0,1,0,0|2,0,0]=3 417 B8R1.22 O=C1C=CCCCN1 MCULE-6257739832 [0,0,0,1,0,0|1,0,0]=2 418 B8R1.22 O=C1CCCCCN1 MCULE-4544579564 [0,0,0,1,0,0|1,0,2]=4 419 B8R1.22 O=C1CCCSCC1 MCULE-9359592851 [0,0,0,1,0,0|1,0,2]=4 420 B8R1.22 O=C1CCNCCN1 MCULE-1678306131 [0,0,0,1,0,0|1,0,2]=4 421 B8R1.22 O=C1CCNCCN1 MCULE-1867860146 [0,0,0,1,0,0|1,0,2]=4 422 B8R1.22 O=C1CCOCCN1 MCULE-6881734685 [0,0,0,1,0,0|0,1,2]=4 423 B8R1.22 O=C1CCSCCN1 MCULE-9445131358 [0,0,0,1,0,0|0,0,2]=3 424 B8R1.22 O=C1CNCCCN1 MCULE-6106237928 [0,0,0,1,0,0|2,0,1]=4 425 B8R1.22 O=C1CNCCCN1 MCULE-9943393784 [0,0,0,1,0,0|2,0,1]=4 426 B8R1.22 O=C1COCCCN1 MCULE-1471963909 [0,0,0,1,0,0|2,0,1]=4 427 B8R1.38 CNC(=O)C1CCC1 MCULE-7934051142 [0,0,0,1,0,0|1,0,2]=4 428 B8R1.38 CNC(=O)C1CNC1 MCULE-1757312789 [0,0,0,1,0,0|1,0,2]=4 429 B8R1.38 CNC(=O)C1CNC1 MCULE-5774189315 [0,0,0,1,0,0|1,0,2]=4 430 B8R1.38 CNC(=O)C1CNC1 MCULE-8342593933 [0,0,0,1,0,0|1,0,2]=4 431 B8R1.38 COC(=O)C1=CCC1 MCULE-5016158090 [0,0,0,1,0,0|2,0,0]=3 432 B8R1.40 CNC(=O)NC1CC1 MCULE-7333117512 [0,0,0,1,0,0|2,0,1]=4 433 B8R1.40 COC(=O)C=C1CC1 MCULE-9046312556 [0,0,0,1,0,0|2,0,0]=3 434 B8R1.50 CC1=CC=C(N1C)C MCULE-4143928476 [0,0,0,1,0,0|2,0,0]=3 435 B8R1.50 CC1=CC=C(N1N)C MCULE-8750393340 [0,0,0,1,0,0|3,0,0]=4 436 B8R1.50 CC1=CC=[N+](N1C)C MCULE-1583529559 [0,0,0,1,0,0|2,0,0]=3 437 B8R1.50 CC1=CC=[N+](N1C)C MCULE-2282433038 [0,0,0,1,0,0|2,0,0]=3 438 B8R1.50 CC1=CN=C(N1C)Br MCULE-6579001930 [0,0,0,1,0,0|3,0,0]=4 439 B8R1.50 CC1=CN=C(N1C)C MCULE-4791759733 [0,0,0,1,0,0|3,0,0]=4 440 B8R1.50 CC1=CSC(=S)N1C MCULE-8922061597 [0,0,0,1,0,0|2,1,0]=4 441 B8R1.50 CC1=NC=C(N1C)Br MCULE-6990569599 [0,0,0,1,0,0|3,0,0]=4 442 B8R1.50 CC1=NC=C(N1C)I MCULE-9128905964 [0,0,0,1,0,0|3,0,0]=4 443 B8R1.50 CC1=NC=C(N1C)N MCULE-7575940424 [0,0,0,1,0,0|3,0,0]=4 444 B8R1.50 CC1=NNC(=O)N1C MCULE-7430385178 [0,0,0,1,0,0|3,0,0]=4 445 B8R1.50 CC1CCC(=O)N1C MCULE-7405072604 [0,0,0,1,0,0|1,0,2]=4 446 B8R1.50 CN1C(=O)C=CC1=O MCULE-2337038549 [0,0,0,1,0,0|2,0,0]=3 447 B8R1.50 O=C1C=CC(=O)N1Cl MCULE-3334700253 [0,0,0,1,0,0|3,0,0]=4 448 B8R1.50 O=C1C=CC(=O)N1O MCULE-9775072223 [0,0,0,1,0,0|3,0,0]=4 449 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [2,0,0,0,0,0|0,0,0]=2 450 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [2,0,0,0,0,0|1,0,0]=3 451 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [2,0,0,0,0,0|0,0,0]=2 452 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|1,0,0]=3 453 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [2,0,0,0,0,0|1,0,1]=4 454 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [2,0,0,0,0,0|0,0,2]=4 455 B5R0.1 C=CC=C(C)C MCULE-7590870659 [2,0,0,0,0,0|1,0,1]=4 456 B5R0.1 C=CCC(=O)N MCULE-1205335257 [2,0,0,0,0,0|0,0,2]=4 457 B5R0.1 C=CNC(=O)C MCULE-1260296806 [2,0,0,0,0,0|1,0,1]=4 458 B5R0.1 C=CNC(=O)N MCULE-4235216182 [2,0,0,0,0,0|1,0,1]=4 459 B5R0.1 C=COC(=O)C MCULE-7626795765 [2,0,0,0,0,0|1,0,1]=4 460 B5R0.1 CC#CC(=O)C MCULE-4083248904 [2,0,0,0,0,0|0,0,2]=4 461 B5R0.1 CC(=CC=O)C MCULE-7002222435 [2,0,0,0,0,0|1,1,0]=4 462 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [2,0,0,0,0,0|1,1,0]=4 463 B5R0.1 CC(=CC=O)N MCULE-2659507627 [2,0,0,0,0,0|1,1,0]=4 464 B5R0.1 CC(=CCS)C MCULE-4180446913 [2,0,0,0,0,0|1,0,1]=4 465 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [2,0,0,0,0,0|1,1,0]=4 466 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [2,0,0,0,0,0|1,1,0]=4 467 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [2,0,0,0,0,0|0,1,1]=4 468 B5R0.1 CC(=O)C=NO MCULE-5513006918 [2,0,0,0,0,0|1,1,0]=4 469 B5R0.1 CC=CC(=O)C MCULE-4826977340 [2,0,0,0,0,0|0,0,0]=2 470 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [2,0,0,0,0,0|1,0,0]=3 471 B5R0.1 CC=CC(=O)N MCULE-9693879476 [2,0,0,0,0,0|0,0,0]=2 472 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|1,0,0]=3 473 B5R0.1 CC=CC(C)C MCULE-9898453837 [2,0,0,0,0,0|1,0,1]=4 474 B5R0.1 CC=CC(C)O MCULE-4806592836 [2,0,0,0,0,0|0,0,2]=4 475 B5R0.1 CC=C[N+](=O)[O-] MCULE-2987135481 [2,0,0,0,0,0|2,0,0]=4 476 B5R0.1 CCC=C(C)C MCULE-2405063894 [2,0,0,0,0,0|1,0,1]=4 477 B5R0.1 CCCC(=O)C MCULE-7174095676 [2,0,0,0,0,0|0,0,2]=4 478 B5R0.1 CCCC(=O)N MCULE-2712067671 [2,0,0,0,0,0|0,0,2]=4 479 B5R0.1 CCNC(=O)C MCULE-7543656350 [2,0,0,0,0,0|1,0,1]=4 480 B5R0.1 CCNC(=O)N MCULE-1913599861 [2,0,0,0,0,0|1,0,1]=4 481 B5R0.1 CCOC(=O)C MCULE-6628539781 [2,0,0,0,0,0|1,0,1]=4 482 B5R0.1 CCOC(=O)N MCULE-1776877276 [2,0,0,0,0,0|1,0,1]=4 483 B5R0.1 CCSC(=O)C MCULE-8015440229 [2,0,0,0,0,0|1,0,1]=4 484 B5R0.1 CNCC(=O)C MCULE-3695443024 [2,0,0,0,0,0|1,0,1]=4 485 B5R0.1 CNCC(=O)C MCULE-7402723072 [2,0,0,0,0,0|1,0,1]=4 486 B5R0.1 CNCC(=O)N MCULE-2328887394 [2,0,0,0,0,0|1,0,1]=4 487 B5R0.1 CNCC(=O)N MCULE-3031605853 [2,0,0,0,0,0|1,0,1]=4 488 B5R0.1 CNCC(=O)N MCULE-7300977677 [2,0,0,0,0,0|1,0,1]=4 489 B5R0.1 CNOC(=O)C MCULE-1464426541 [2,0,0,0,0,0|2,0,0]=4 490 B5R0.1 CNOC(=O)C MCULE-2976282666 [2,0,0,0,0,0|2,0,0]=4 491 B5R0.1 COC=C(C)C MCULE-6348538911 [2,0,0,0,0,0|1,1,0]=4 492 B5R0.1 COCC(=O)C MCULE-7262197587 [2,0,0,0,0,0|0,1,1]=4 493 B5R0.1 COCC(=O)N MCULE-6674958132 [2,0,0,0,0,0|0,1,1]=4 494 B5R0.1 CONC(=O)C MCULE-6601866630 [2,0,0,0,0,0|1,1,0]=4 495 B5R0.1 CONC(=O)N MCULE-3063713861 [2,0,0,0,0,0|1,1,0]=4 496 B5R0.1 CSC=[N+](C)C MCULE-3818988576 [2,0,0,0,0,0|2,0,0]=4 497 B5R0.1 CSC=[N+](C)C MCULE-8015580251 [2,0,0,0,0,0|2,0,0]=4 498 B5R0.1 CSCC(=N)N MCULE-7800929509 [2,0,0,0,0,0|1,0,1]=4 499 B5R0.1 CSCC(=N)N MCULE-8499985777 [2,0,0,0,0,0|1,0,1]=4 500 B5R0.1 CSCC(=O)C MCULE-4131794172 [2,0,0,0,0,0|0,0,1]=3 501 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [2,0,0,0,0,0|1,0,1]=4 502 B5R0.1 CSCC(=O)N MCULE-4865579476 [2,0,0,0,0,0|0,0,1]=3 503 B5R0.1 CSCC(=O)O MCULE-7003418159 [2,0,0,0,0,0|1,0,1]=4 504 B5R0.1 CSCC(=S)N MCULE-5029100305 [2,0,0,0,0,0|0,1,1]=4 505 B5R0.1 CSCS(=O)C MCULE-3167702486 [2,0,0,0,0,0|1,0,1]=4 506 B5R0.1 CSNC(=O)C MCULE-7350061514 [2,0,0,0,0,0|1,0,0]=3 507 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [2,0,0,0,0,0|1,0,0]=3 508 B5R0.1 NC(=O)C=NO MCULE-6447662753 [2,0,0,0,0,0|1,1,0]=4 509 B5R0.1 NC(=O)CCS MCULE-7451827717 [2,0,0,0,0,0|0,0,2]=4 510 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [2,0,0,0,0,0|2,0,0]=4 511 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [2,0,0,0,0,0|2,0,0]=4 512 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [2,0,0,0,0,0|2,0,0]=4 513 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [2,0,0,0,0,0|2,0,0]=4 514 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [2,0,0,0,0,0|2,0,0]=4 515 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [2,0,0,0,0,0|2,0,0]=4 516 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [2,0,0,0,0,0|2,0,0]=4 517 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [2,0,0,0,0,0|2,0,0]=4 518 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [2,0,0,0,0,0|2,0,0]=4 519 B5R0.1 O=C(O)C=CI MCULE-7162332129 [2,0,0,0,0,0|2,0,0]=4 520 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [2,0,0,0,0,0|2,0,0]=4 521 B5R0.2 C/C=C/C=C/C MCULE-9400628806 [2,0,0,0,0,0|1,0,0]=3 522 B5R0.2 C/C=C/CCC MCULE-9851656818 [2,0,0,0,0,0|1,0,1]=4 523 B5R0.2 C/C=C/OCC MCULE-2891896400 [2,0,0,0,0,0|2,0,0]=4 524 B5R0.2 C/C=C\CCC MCULE-1013657748 [2,0,0,0,0,0|1,0,1]=4 525 B5R0.2 C=C/C=C/CC MCULE-5996202716 [2,0,0,0,0,0|1,0,1]=4 526 B5R0.2 CC/C=C/C=O MCULE-5102906061 [2,0,0,0,0,0|1,0,0]=3 527 B5R0.2 CC/C=C/CC MCULE-6762040186 [2,0,0,0,0,0|1,0,1]=4 528 B5R0.2 CC/C=C\CC MCULE-9418110460 [2,0,0,0,0,0|1,0,1]=4 529 B5R0.2 CC=CC=CC MCULE-7702675183 [2,0,0,0,0,0|1,0,0]=3 530 B5R0.2 CC=CCCC MCULE-8736231124 [2,0,0,0,0,0|1,0,1]=4 531 B5R0.2 CC=COCC MCULE-1473170404 [2,0,0,0,0,0|2,0,0]=4 532 B5R0.2 CC=CSSC MCULE-2442770677 [2,0,0,0,0,0|1,0,0]=3 533 B5R0.2 CCC=CC=O MCULE-1318250395 [2,0,0,0,0,0|1,0,0]=3 534 B5R0.2 CCC=CCC MCULE-5435957422 [2,0,0,0,0,0|1,0,1]=4 535 B5R0.2 CNCCSC MCULE-2812984399 [2,0,0,0,0,0|0,0,2]=4 536 B5R0.2 CNCCSC MCULE-2942435951 [2,0,0,0,0,0|0,0,2]=4 537 B5R0.2 CSCCC=O MCULE-6273241704 [2,0,0,0,0,0|0,0,2]=4 538 B5R0.3 C#CC(=O)NC MCULE-8852565705 [2,0,0,0,0,0|0,0,2]=4 539 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [2,0,0,0,0,0|2,0,0]=4 540 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [2,0,0,0,0,0|2,0,0]=4 541 B5R0.3 C/N=C(\N)/SC MCULE-1114021101 [2,0,0,0,0,0|1,0,1]=4 542 B5R0.3 C/N=C(\N)/SC MCULE-4249574209 [2,0,0,0,0,0|1,0,1]=4 543 B5R0.3 C=C(SC)SC MCULE-8497326619 [2,0,0,0,0,0|2,0,0]=4 544 B5R0.3 C=C/C(=C/C)/C MCULE-6445909882 [2,0,0,0,0,0|2,0,0]=4 545 B5R0.3 C=CC(=CC)C MCULE-8585683674 [2,0,0,0,0,0|2,0,0]=4 546 B5R0.3 C=CC(=O)C=C MCULE-8555160354 [2,0,0,0,0,0|1,0,1]=4 547 B5R0.3 C=CC(=O)CC MCULE-7277696617 [2,0,0,0,0,0|1,0,0]=3 548 B5R0.3 C=CC(=O)NC MCULE-5619481947 [2,0,0,0,0,0|0,0,0]=2 549 B5R0.3 C=CC(=O)NN MCULE-4327484127 [2,0,0,0,0,0|1,0,0]=3 550 B5R0.3 C=CC(=O)NN MCULE-4961696321 [2,0,0,0,0,0|1,0,0]=3 551 B5R0.3 C=CC(=O)NO MCULE-9528737042 [2,0,0,0,0,0|1,0,0]=3 552 B5R0.3 C=CC(=O)OC MCULE-6010665978 [2,0,0,0,0,0|1,0,0]=3 553 B5R0.3 C=CC(C)NC MCULE-1929679074 [2,0,0,0,0,0|1,0,1]=4 554 B5R0.3 C=CC(C)NC MCULE-6382339452 [2,0,0,0,0,0|1,0,1]=4 555 B5R0.3 CC=C(C)CC MCULE-5790494157 [2,0,0,0,0,0|2,0,0]=4 556 B5R0.3 CCC(=O)CC MCULE-8236549739 [2,0,0,0,0,0|1,0,1]=4 557 B5R0.3 CCC(=O)NC MCULE-5612060170 [2,0,0,0,0,0|0,0,1]=3 558 B5R0.3 CCC(=O)NN MCULE-1803705917 [2,0,0,0,0,0|1,0,1]=4 559 B5R0.3 CCC(=O)NO MCULE-1033164448 [2,0,0,0,0,0|1,0,1]=4 560 B5R0.3 CCC(=O)OC MCULE-7384824725 [2,0,0,0,0,0|1,0,1]=4 561 B5R0.3 CCC(=O)SC MCULE-9712192191 [2,0,0,0,0,0|1,0,0]=3 562 B5R0.3 CNC(=N)NC MCULE-7703075263 [2,0,0,0,0,0|2,0,0]=4 563 B5R0.3 CNC(=O)CBr MCULE-1439209307 [2,0,0,0,0,0|1,0,1]=4 564 B5R0.3 CNC(=O)CCl MCULE-1437904095 [2,0,0,0,0,0|1,0,1]=4 565 B5R0.3 CNC(=O)CI MCULE-1687694185 [2,0,0,0,0,0|1,0,1]=4 566 B5R0.3 CNC(=O)CN MCULE-1901033297 [2,0,0,0,0,0|1,0,1]=4 567 B5R0.3 CNC(=O)CN MCULE-8532774234 [2,0,0,0,0,0|1,0,1]=4 568 B5R0.3 CNC(=O)CO MCULE-5899226107 [2,0,0,0,0,0|0,1,1]=4 569 B5R0.3 CNC(=O)CS MCULE-7032391129 [2,0,0,0,0,0|0,0,1]=3 570 B5R0.3 CNC(=O)NC MCULE-5319497155 [2,0,0,0,0,0|1,0,0]=3 571 B5R0.3 CNC(=O)NN MCULE-2093843774 [2,0,0,0,0,0|2,0,0]=4 572 B5R0.3 CNC(=O)OC MCULE-1162861376 [2,0,0,0,0,0|0,1,0]=3 573 B5R0.3 CNC(=S)NC MCULE-7998520647 [2,0,0,0,0,0|1,1,0]=4 574 B5R0.3 COC(=O)C=O MCULE-2685327079 [2,0,0,0,0,0|1,1,0]=4 575 B5R0.3 COC(=O)CS MCULE-3020830180 [2,0,0,0,0,0|1,0,1]=4 576 B5R0.3 COC(=O)NN MCULE-2637794839 [2,0,0,0,0,0|1,1,0]=4 577 B5R0.3 COC(=O)OC MCULE-7488725621 [2,0,0,0,0,0|1,1,0]=4 578 B5R0.3 COC(=O)SCl MCULE-1018411491 [2,0,0,0,0,0|2,0,0]=4 579 B5R0.3 COC(=S)SC MCULE-7665194168 [2,0,0,0,0,0|1,1,0]=4 580 B5R0.3 CSC(=O)SC MCULE-7167992573 [2,0,0,0,0,0|1,0,0]=3 581 B5R0.3 CSC(=S)NN MCULE-2798461411 [2,0,0,0,0,0|1,1,0]=4 582 B5R0.3 CSC(=S)SC MCULE-5023087703 [2,0,0,0,0,0|1,1,0]=4 583 B5R0.3 NNC(=O)CS MCULE-4913925166 [2,0,0,0,0,0|1,0,1]=4 584 B7R0.2 C=CC(=O)C=C(C)C MCULE-3761351531 [1,1,0,0,0,0|1,0,1]=4 585 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [1,1,0,0,0,0|1,0,1]=4 586 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [1,1,0,0,0,0|2,0,0]=4 587 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [1,1,0,0,0,0|1,0,0]=3 588 B7R0.2 CNC(=O)CC(=N)N MCULE-4798896062 [1,1,0,0,0,0|1,0,1]=4 589 B7R0.2 CNC(=O)CC(=N)N MCULE-6994336455 [1,1,0,0,0,0|1,0,1]=4 590 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [1,1,0,0,0,0|0,0,1]=3 591 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [1,1,0,0,0,0|0,1,1]=4 592 B7R0.2 CNC(=O)CC(=S)N MCULE-1637389152 [1,1,0,0,0,0|0,0,2]=4 593 B7R0.2 CNC(=O)CC(C)C MCULE-2303112628 [1,1,0,0,0,0|0,0,2]=4 594 B7R0.2 CNC(=O)CC(C)N MCULE-7773306348 [1,1,0,0,0,0|0,0,2]=4 595 B7R0.2 CNC(=O)CC(C)N MCULE-8658175271 [1,1,0,0,0,0|0,0,2]=4 596 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [1,1,0,0,0,0|1,0,0]=3 597 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [1,1,0,0,0,0|1,1,0]=4 598 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [1,1,0,0,0,0|2,0,0]=4 599 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [1,1,0,0,0,0|1,0,0]=3 600 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [1,1,0,0,0,0|1,0,0]=3 601 B7R0.2 COC(=O)C=C(C)C MCULE-9357284649 [1,1,0,0,0,0|1,0,0]=3 602 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [1,1,0,0,0,0|1,0,0]=3 603 B7R0.2 COC(=O)C=C(C)[O-] MCULE-2706789496 [1,1,0,0,0,0|1,0,0]=3 604 B7R0.2 COC(=O)C=C(C)[O-] MCULE-4482386969 [1,1,0,0,0,0|1,0,0]=3 605 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [1,1,0,0,0,0|1,0,1]=4 606 B7R0.5 CCCC(=O)N(C)C MCULE-8154537620 [1,1,0,0,0,0|0,0,2]=4 607 B7R0.5 CCNC(=O)N(C)N MCULE-4378383472 [1,1,0,0,0,0|1,0,1]=4 608 B7R0.5 CCOC(=O)N(C)C MCULE-8344568471 [1,1,0,0,0,0|1,0,1]=4 609 B7R0.5 CCOC(=O)N(C)N MCULE-3043289486 [1,1,0,0,0,0|1,0,1]=4 610 B7R0.5 CNCC(=O)N(C)C MCULE-2332172341 [1,1,0,0,0,0|1,0,1]=4 611 B7R0.5 CNCC(=O)N(C)C MCULE-6934800093 [1,1,0,0,0,0|1,0,1]=4 612 B7R0.5 COCC(=O)N(C)C MCULE-4175778673 [1,1,0,0,0,0|0,1,1]=4 613 B7R0.7 C/C=C/C(=O)N=C=S MCULE-1051826106 [1,1,0,0,0,0|0,0,2]=4 614 B7R0.7 C/C=C/C(=O)OCC MCULE-8433823264 [1,1,0,0,0,0|1,0,0]=3 615 B7R0.7 C=COC(=O)/C=C/C MCULE-3646996165 [1,1,0,0,0,0|1,0,1]=4 616 B7R0.7 C=COC(=O)C=CC MCULE-7917602280 [1,1,0,0,0,0|1,0,1]=4 617 B7R0.7 CC=CC(=O)N=C=S MCULE-4538158885 [1,1,0,0,0,0|0,0,2]=4 618 B7R0.7 CC=CC(=O)OCC MCULE-1904771513 [1,1,0,0,0,0|1,0,0]=3 619 B7R0.7 CCNC(=O)CNC MCULE-1939824251 [1,1,0,0,0,0|1,0,1]=4 620 B7R0.7 CCNC(=O)CNC MCULE-2815515396 [1,1,0,0,0,0|1,0,1]=4 621 B7R0.7 CCNC(=O)NCC MCULE-2253571388 [1,1,0,0,0,0|1,0,1]=4 622 B7R0.7 CCNC(=O)OCC MCULE-3910060770 [1,1,0,0,0,0|1,0,1]=4 623 B7R0.7 CCOC(=O)/C=C/I MCULE-4105665503 [1,1,0,0,0,0|2,0,0]=4 624 B7R0.7 CCOC(=O)/C=C/O MCULE-1984925411 [1,1,0,0,0,0|1,1,0]=4 625 B7R0.7 CCOC(=O)/C=C/[O-] MCULE-5625833261 [1,1,0,0,0,0|1,1,0]=4 626 B7R0.7 CCOC(=O)/C=C\Br MCULE-7525620721 [1,1,0,0,0,0|2,0,0]=4 627 B7R0.7 CCOC(=O)/C=C\I MCULE-4741067503 [1,1,0,0,0,0|2,0,0]=4 628 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [1,1,0,0,0,0|2,0,0]=4 629 B7R0.7 CCOC(=O)C=CBr MCULE-3778834856 [1,1,0,0,0,0|2,0,0]=4 630 B7R0.7 CCOC(=O)C=CI MCULE-9930784067 [1,1,0,0,0,0|2,0,0]=4 631 B7R0.7 CCOC(=O)C=CO MCULE-2570791221 [1,1,0,0,0,0|1,1,0]=4 632 B7R0.7 CCOC(=O)C=C[O-] MCULE-8425740727 [1,1,0,0,0,0|1,1,0]=4 633 B7R0.7 CCOC(=O)CNC MCULE-3219895330 [1,1,0,0,0,0|1,0,1]=4 634 B7R0.7 CCOC(=O)CNC MCULE-6164649520 [1,1,0,0,0,0|1,0,1]=4 635 B7R0.7 CCOC(=O)CSC MCULE-5199209389 [1,1,0,0,0,0|1,0,1]=4 636 B7R0.7 CCOC(=O)NCCl MCULE-9646468987 [1,1,0,0,0,0|1,0,1]=4 637 B7R0.7 CCOC(=O)NCO MCULE-1265242244 [1,1,0,0,0,0|1,0,1]=4 638 B7R0.7 CCOC(=O)NNC MCULE-8689837834 [1,1,0,0,0,0|1,0,1]=4 639 B7R0.7 CCOC(=O)NOC MCULE-2256963329 [1,1,0,0,0,0|1,0,1]=4 640 B7R0.10 C/C=C(/C)\C(=O)OC MCULE-6490619453 [1,1,0,0,0,0|1,0,0]=3 641 B7R0.10 C/C=C(\C)/C(=O)OC MCULE-2521624465 [1,1,0,0,0,0|1,0,0]=3 642 B7R0.10 C=C(CC)C(=O)OC MCULE-2064145693 [1,1,0,0,0,0|1,0,1]=4 643 B7R0.10 C=C(OC)C(=O)OC MCULE-3256769494 [1,1,0,0,0,0|1,1,0]=4 644 B7R0.10 CC=C(Br)C(=O)OC MCULE-8210439839 [1,1,0,0,0,0|1,0,0]=3 645 B7R0.10 CC=C(C)C(=O)OC MCULE-7431996149 [1,1,0,0,0,0|1,0,0]=3 646 B7R0.10 CCC(=O)C(=O)CC MCULE-4346857339 [1,1,0,0,0,0|1,0,1]=4 647 B7R0.10 CCC(=O)C(=O)OC MCULE-6526576267 [1,1,0,0,0,0|1,0,1]=4 648 B7R0.10 CCC(Br)C(=O)NC MCULE-5335067622 [1,1,0,0,0,0|0,0,2]=4 649 B7R0.10 CCC(C)C(=O)NC MCULE-5599095900 [1,1,0,0,0,0|0,0,2]=4 650 B7R0.10 CCC(N)C(=O)NC MCULE-7274856339 [1,1,0,0,0,0|0,0,2]=4 651 B7R0.10 CCC(N)C(=O)NC MCULE-9912780545 [1,1,0,0,0,0|0,0,2]=4 652 B7R0.10 CNC(=O)/C(=N/O)/N MCULE-4165941405 [1,1,0,0,0,0|1,1,0]=4 653 B7R0.10 CNC(=O)C(=NO)C MCULE-5419636892 [1,1,0,0,0,0|1,1,0]=4 654 B7R0.10 CNC(=O)C(=O)NC MCULE-5993874240 [1,1,0,0,0,0|1,0,0]=3 655 B7R0.10 CNC(=O)C(=O)OC MCULE-1771479923 [1,1,0,0,0,0|0,1,0]=3 656 B7R0.10 CNC(=O)C(C)NC MCULE-5788965533 [1,1,0,0,0,0|1,0,1]=4 657 B7R0.10 CNC(=O)[C@H](C)NC MCULE-4236618966 [1,1,0,0,0,0|1,0,1]=4 658 B7R0.10 CNC(=O)[C@H](C)NC MCULE-9974564724 [1,1,0,0,0,0|1,0,1]=4 659 B7R0.10 CNC(=S)C(=S)NC MCULE-2962897883 [1,1,0,0,0,0|1,1,0]=4 660 B7R0.10 COC(=O)/C(=C/Br)/C MCULE-9213242172 [1,1,0,0,0,0|2,0,0]=4 661 B7R0.10 COC(=O)/C(=C/Cl)/Cl MCULE-7181141754 [1,1,0,0,0,0|2,0,0]=4 662 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-5795286951 [1,1,0,0,0,0|1,1,0]=4 663 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-6102470934 [1,1,0,0,0,0|1,1,0]=4 664 B7R0.10 COC(=O)C(=CBr)C MCULE-2452279572 [1,1,0,0,0,0|2,0,0]=4 665 B7R0.10 COC(=O)C(=O)NN MCULE-7834741474 [1,1,0,0,0,0|1,1,0]=4 666 B7R0.10 COC(=O)C(=O)OC MCULE-5018268642 [1,1,0,0,0,0|1,1,0]=4 667 B7R0.10 COC(=O)C(C)SC MCULE-6914204626 [1,1,0,0,0,0|1,0,1]=4 668 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [1,1,0,0,0,0|2,0,0]=4 669 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,1,0,0,0,0|2,0,0]=4 670 B7R0.4 C/C=C/C=C/C(=O)O MCULE-5933850278 [1,1,0,0,0,0|2,0,0]=4 671 B7R0.4 C/C=C/C=C/C(=O)[O-] MCULE-2438491537 [1,1,0,0,0,0|2,0,0]=4 672 B7R0.4 C/C=C/C=C/C(=O)[O-] MCULE-8550303604 [1,1,0,0,0,0|2,0,0]=4 673 B7R0.4 C/C=C/C=C\C(=O)O MCULE-3744855708 [1,1,0,0,0,0|2,0,0]=4 674 B7R0.4 C/C=C/COC(=O)C MCULE-4948306153 [1,1,0,0,0,0|1,0,1]=4 675 B7R0.4 C=CC=COC(=O)C MCULE-8556263077 [1,1,0,0,0,0|1,0,1]=4 676 B7R0.4 CC=CC=CC(=O)C MCULE-1781846029 [1,1,0,0,0,0|1,0,0]=3 677 B7R0.4 CC=CC=CC(=O)Cl MCULE-7711381941 [1,1,0,0,0,0|2,0,0]=4 678 B7R0.4 CC=CC=CC(=O)O MCULE-9397415946 [1,1,0,0,0,0|2,0,0]=4 679 B7R0.4 CC=CC=CC(=O)[O-] MCULE-4983552708 [1,1,0,0,0,0|2,0,0]=4 680 B7R0.4 CC=CC=CC(=O)[O-] MCULE-7794252065 [1,1,0,0,0,0|2,0,0]=4 681 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [1,1,0,0,0,0|1,0,0]=3 682 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,1,0,0,0,0|2,0,0]=4 683 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [1,1,0,0,0,0|1,0,0]=3 684 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [1,1,0,0,0,0|2,0,0]=4 685 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [1,1,0,0,0,0|2,0,0]=4 686 B7R0.4 CCO/C=C/C(=N)N MCULE-5385104731 [1,1,0,0,0,0|1,1,0]=4 687 B7R0.4 CCO/C=C/C(=N)N MCULE-9722827005 [1,1,0,0,0,0|1,1,0]=4 688 B7R0.4 CCO/C=C/C(=O)Cl MCULE-5623807124 [1,1,0,0,0,0|1,1,0]=4 689 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [1,1,0,0,0,0|1,1,0]=4 690 B7R0.4 CCOC=CC(=O)Cl MCULE-1242349133 [1,1,0,0,0,0|1,1,0]=4 691 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [1,1,0,0,0,0|1,1,0]=4 692 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [1,1,0,0,0,0|1,1,0]=4 693 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [1,1,0,0,0,0|1,1,0]=4 694 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [1,1,0,0,0,0|1,0,0]=3 695 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [1,1,0,0,0,0|0,0,2]=4 696 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [1,1,0,0,0,0|0,0,2]=4 697 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [1,1,0,0,0,0|0,0,2]=4 698 B7R0.6 CC(=CC=C(C)C)C MCULE-9852692083 [1,1,0,0,0,0|2,0,0]=4 699 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [1,1,0,0,0,0|2,0,0]=4 700 B7R0.6 CC(=O)/C=C/N(C)C MCULE-7703636114 [1,1,0,0,0,0|1,0,0]=3 701 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [1,1,0,0,0,0|1,0,0]=3 702 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [1,1,0,0,0,0|2,0,0]=4 703 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [1,1,0,0,0,0|2,0,0]=4 704 B7R0.6 CC(=O)C=CC(C)C MCULE-7908862390 [1,1,0,0,0,0|1,0,0]=3 705 B7R0.6 CC(=O)C=CN(C)C MCULE-2800987098 [1,1,0,0,0,0|1,0,0]=3 706 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [1,1,0,0,0,0|2,0,0]=4 707 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [1,1,0,0,0,0|2,0,0]=4 708 B7R0.6 CN(C)C=CC(=S)N MCULE-7137295535 [1,1,0,0,0,0|1,1,0]=4 709 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [1,1,0,0,0,0|2,0,0]=4 710 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [1,1,0,0,0,0|2,0,0]=4 711 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [1,1,0,0,0,0|2,0,0]=4 712 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [1,1,0,0,0,0|2,0,0]=4 713 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [1,1,0,0,0,0|2,0,0]=4 714 B7R0.1 CCC=CC=CCO MCULE-7908131221 [1,1,0,0,0,0|2,0,0]=4 715 B9R0.5 C(=C/C=C/C(=O)OCC)\C MCULE-3576105065 [0,2,0,0,0,0|2,0,0]=4 716 B9R0.5 CC/C=C/CC(=O)OCC MCULE-7234058677 [0,2,0,0,0,0|2,0,0]=4 717 B9R0.5 CC=CC=CC(=O)OCC MCULE-7644578303 [0,2,0,0,0,0|2,0,0]=4 718 B9R0.5 CCC/C=C/C(=O)OCC MCULE-4832092410 [0,2,0,0,0,0|2,0,0]=4 719 B9R0.5 CCC=CCC(=O)OCC MCULE-2895347288 [0,2,0,0,0,0|2,0,0]=4 720 B9R0.5 CCCC=CC(=O)OCC MCULE-6059990808 [0,2,0,0,0,0|2,0,0]=4 721 B9R0.5 CCO/C=C/C(=O)OCC MCULE-1507361975 [0,2,0,0,0,0|1,1,0]=4 722 B9R0.5 CCOC(=O)C=CCCBr MCULE-9357314783 [0,2,0,0,0,0|2,0,0]=4 723 B9R0.5 CCOC(=O)C=CCCO MCULE-2905144053 [0,2,0,0,0,0|2,0,0]=4 724 B9R0.5 CCOC=CC(=O)OCC MCULE-6557988220 [0,2,0,0,0,0|1,1,0]=4 725 B9R0.8 CNC(=O)C(=O)NCCO MCULE-5696756358 [0,2,0,0,0,0|2,0,0]=4 726 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-3612140892 [0,2,0,0,0,0|0,0,2]=4 727 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-5468588566 [0,2,0,0,0,0|0,0,2]=4 728 B9R0.34 CCOC(=O)/C=C(/C)\NC MCULE-6271790714 [0,2,0,0,0,0|1,1,0]=4 729 B9R0.34 CCOC(=O)/C=C(\C)/CC MCULE-9989234580 [0,2,0,0,0,0|2,0,0]=4 730 B9R0.34 CCOC(=O)/C=C(\N)/CC MCULE-1218147100 [0,2,0,0,0,0|2,0,0]=4 731 B9R0.34 CCOC(=O)C=C(C)CC MCULE-6939013516 [0,2,0,0,0,0|2,0,0]=4 732 B9R0.34 CCOC(=O)C=C(C)NC MCULE-6643100611 [0,2,0,0,0,0|1,1,0]=4 733 B9R0.34 CCOC(=O)C=C(N)CC MCULE-1320898760 [0,2,0,0,0,0|2,0,0]=4 734 B9R0.34 CCOC(=O)CC(=O)NC MCULE-8763136380 [0,2,0,0,0,0|0,1,1]=4 735 B9R0.34 CNC(=O)NC(=O)CCCl MCULE-3194430904 [0,2,0,0,0,0|2,0,0]=4 736 B9R0.35 CCNC(=O)C(=O)NCC MCULE-9926141786 [0,2,0,0,0,0|2,0,0]=4 737 B9R0.35 CCNC(=O)C(=O)OCC MCULE-4356943049 [0,2,0,0,0,0|2,0,0]=4 738 B9R0.48 C=C(C)C=CC(=O)OCC MCULE-4545651414 [0,2,0,0,0,0|2,0,0]=4 739 B9R0.48 CCNC(=O)C=CC(=O)O MCULE-3469131343 [0,2,0,0,0,0|2,0,0]=4 740 B9R0.48 CCOC(=O)/C=C/C(=O)C MCULE-1277426448 [0,2,0,0,0,0|2,0,0]=4 741 B9R0.48 CCOC(=O)/C=C/C(C)C MCULE-3748857850 [0,2,0,0,0,0|2,0,0]=4 742 B9R0.48 CCOC(=O)/C=C/N(C)C MCULE-7397270661 [0,2,0,0,0,0|2,0,0]=4 743 B9R0.48 CCOC(=O)C=CC(=O)C MCULE-7029387078 [0,2,0,0,0,0|2,0,0]=4 744 B9R0.48 CCOC(=O)C=CC(C)C MCULE-5475079081 [0,2,0,0,0,0|2,0,0]=4 745 B9R0.48 CCOC(=O)C=CN(C)C MCULE-6805314088 [0,2,0,0,0,0|2,0,0]=4 746 B9R0.6 CCOC(=O)C(=O)N(C)C MCULE-6782959290 [0,2,0,0,0,0|2,0,0]=4 747 B9R0.23 COC(=O)C(=CC(=O)C)O MCULE-4086335030 [0,2,0,0,0,0|2,0,0]=4 748 B9R0.23 COC(=O)C(=CC(=O)C)[O-] MCULE-6893575885 [0,2,0,0,0,0|2,0,0]=4 749 B9R0.1 COC(=O)/C=C/CC(C)C MCULE-1903765303 [0,2,0,0,0,0|2,0,0]=4 750 B9R0.1 COC(=O)/C=C/CN(C)C MCULE-1840410919 [0,2,0,0,0,0|2,0,0]=4 751 B9R0.1 COC(=O)C=CCC(C)C MCULE-4145879256 [0,2,0,0,0,0|2,0,0]=4 752 B9R0.1 COC(=O)C=CCN(C)C MCULE-2809192245 [0,2,0,0,0,0|2,0,0]=4 753 B9R0.24 C(=C\C(=O)OC)\C(=O)OC MCULE-9787020384 [0,2,0,0,0,0|1,1,0]=4 754 B9R0.24 CNC(=O)CCC(=O)NC MCULE-1963512948 [0,2,0,0,0,0|1,0,1]=4 755 B9R0.24 CNC(=O)O/N=C(\C)/SC MCULE-8462219371 [0,2,0,0,0,0|1,0,0]=3 756 B9R0.24 CNC(=O)ON=C(C)SC MCULE-2993504644 [0,2,0,0,0,0|1,0,0]=3 757 B9R0.24 COC(=O)/C=C/C(=O)OC MCULE-4208733984 [0,2,0,0,0,0|1,1,0]=4 758 B9R0.24 COC(=O)C=CC(=O)OC MCULE-8277820773 [0,2,0,0,0,0|1,1,0]=4 759 B9R0.24 COC(=O)C=CC(O)CO MCULE-8824735317 [0,2,0,0,0,0|2,0,0]=4 760 B9R0.46 CCCCC=CC(=O)OC MCULE-3507079471 [0,2,0,0,0,0|2,0,0]=4 761 B9R0.46 COC(=O)C=CC=CCBr MCULE-9826148459 [0,2,0,0,0,0|2,0,0]=4 762 B9R0.7 CC(C)C(=O)/C=C/N(C)C MCULE-9060878561 [0,2,0,0,0,0|2,0,0]=4 763 B9R0.7 CC(C)C(=O)C=CN(C)C MCULE-9655801765 [0,2,0,0,0,0|2,0,0]=4 764 B9R0.7 CN(C)/C(=C/C=[N+](C)C)/Cl MCULE-2922809764 [0,2,0,0,0,0|2,0,0]=4 765 B9R0.7 CN(C)/C(=C/C=[N+](C)C)/Cl MCULE-7233613203 [0,2,0,0,0,0|2,0,0]=4 766 B9R0.7 CN(C)C(=O)C=CC(=O)O MCULE-2624823175 [0,2,0,0,0,0|2,0,0]=4 767 B9R0.7 CN(C)C=CC(=S)N(C)C MCULE-4240125591 [0,2,0,0,0,0|1,1,0]=4 768 B9R0.42 CNC(=O)NC(=O)C(C)Cl MCULE-4768304140 [0,2,0,0,0,0|2,0,0]=4 769 B9R0.42 COC(=O)C=C(N)C(C)C MCULE-5314685547 [0,2,0,0,0,0|2,0,0]=4 770 B9R0.42 CSC(=N)N=C(C)N(C)C MCULE-3025124846 [0,2,0,0,0,0|2,0,0]=4 771 B9R0.42 CSC(=N)N=C(C)N(C)C MCULE-7348003245 [0,2,0,0,0,0|2,0,0]=4 772 B9R0.21 COC(=O)/C=C/C(C)(C)C MCULE-2283235578 [0,2,0,0,0,0|2,0,0]=4 773 B9R0.21 COC(=O)C=CC(C)(C)N MCULE-1924910769 [0,2,0,0,0,0|2,0,0]=4 774 B9R0.21 COC(=O)C=CC(C)(C)N MCULE-8886514371 [0,2,0,0,0,0|2,0,0]=4 775 B9R0.26 COC(=O)/C=C(\CCl)/OC MCULE-7731128651 [0,2,0,0,0,0|1,1,0]=4 776 B9R0.26 COC(=O)C=C(CCl)OC MCULE-7014915873 [0,2,0,0,0,0|1,1,0]=4 777 B7R1.1 CCC1=CSC=C1 MCULE-7192433774 [1,0,0,1,0,0|2,0,0]=4 778 B7R1.1 CNC1=CC=CS1 MCULE-4218853022 [1,0,0,1,0,0|0,1,1]=4 779 B7R1.1 CNC1=CC=NN1 MCULE-8114468592 [1,0,0,1,0,0|2,0,0]=4 780 B7R1.1 CNC1=CSC=C1 MCULE-1287628025 [1,0,0,1,0,0|1,0,0]=3 781 B7R1.1 CNC1=CSC=C1 MCULE-5325332143 [1,0,0,1,0,0|1,0,0]=3 782 B7R1.1 CNC1=NOC=C1 MCULE-1266569249 [1,0,0,1,0,0|1,1,0]=4 783 B7R1.1 CNC1=NOC=C1 MCULE-2599186829 [1,0,0,1,0,0|1,1,0]=4 784 B7R1.1 COC1=CSC=C1 MCULE-3476811638 [1,0,0,1,0,0|2,0,0]=4 785 B7R1.1 COC1=NSC=C1 MCULE-5378872433 [1,0,0,1,0,0|2,0,0]=4 786 B7R1.1 CSC1=CSC=C1 MCULE-2498616036 [1,0,0,1,0,0|2,0,0]=4 787 B7R1.2 CC1=CC(=NN1)C MCULE-4873265902 [1,0,0,1,0,0|2,0,0]=4 788 B7R1.2 CC1=CC(=NN1)C MCULE-8100496522 [1,0,0,1,0,0|2,0,0]=4 789 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [1,0,0,1,0,0|1,0,0]=3 790 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [1,0,0,1,0,0|2,0,0]=4 791 B7R1.2 CC1=CC(=O)N=N1 MCULE-8356895370 [1,0,0,1,0,0|1,0,1]=4 792 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [1,0,0,1,0,0|1,0,0]=3 793 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [1,0,0,1,0,0|1,0,0]=3 794 B7R1.2 CC1=CNC(=C1)C MCULE-6480137920 [1,0,0,1,0,0|1,0,1]=4 795 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [1,0,0,1,0,0|1,0,1]=4 796 B7R1.2 CC1=NC(=O)NN1 MCULE-7112378155 [1,0,0,1,0,0|2,0,0]=4 797 B7R1.2 CC1=NNC(=C1)Cl MCULE-9047691966 [1,0,0,1,0,0|2,0,0]=4 798 B7R1.2 CC1=NNC(=C1)I MCULE-7626013113 [1,0,0,1,0,0|2,0,0]=4 799 B7R1.2 CC1=NNC(=C1)N MCULE-5982415678 [1,0,0,1,0,0|2,0,0]=4 800 B7R1.2 CC1=NNC(=C1)N MCULE-8265446300 [1,0,0,1,0,0|2,0,0]=4 801 B7R1.2 CC1=NNC(=C1)N MCULE-8755398394 [1,0,0,1,0,0|2,0,0]=4 802 B7R1.2 CC1=NNC(=C1)O MCULE-6802545425 [1,0,0,1,0,0|1,0,1]=4 803 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [1,0,0,1,0,0|1,0,1]=4 804 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [1,0,0,1,0,0|0,0,2]=4 805 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [1,0,0,1,0,0|1,0,1]=4 806 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [1,0,0,1,0,0|1,0,1]=4 807 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [1,0,0,1,0,0|0,0,2]=4 808 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [1,0,0,1,0,0|0,0,2]=4 809 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [1,0,0,1,0,0|1,0,1]=4 810 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [1,0,0,1,0,0|1,0,1]=4 811 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [1,0,0,1,0,0|0,0,2]=4 812 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [1,0,0,1,0,0|0,0,2]=4 813 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [1,0,0,1,0,0|2,0,0]=4 814 B7R1.2 NC1=CC(=O)NN1 MCULE-6721529473 [1,0,0,1,0,0|2,0,0]=4 815 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [1,0,0,1,0,0|2,0,0]=4 816 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [1,0,0,1,0,0|2,0,0]=4 817 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [1,0,0,1,0,0|2,0,0]=4 818 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [1,0,0,1,0,0|1,1,0]=4 819 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [1,0,0,1,0,0|1,0,0]=3 820 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [1,0,0,1,0,0|0,1,0]=3 821 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [1,0,0,1,0,0|2,0,0]=4 822 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [1,0,0,1,0,0|1,1,0]=4 823 B7R1.2 O=C1C=C(SN1)Cl MCULE-6118293142 [1,0,0,1,0,0|2,0,0]=4 824 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [1,0,0,1,0,0|0,0,2]=4 825 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [1,0,0,1,0,0|0,1,1]=4 826 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [1,0,0,1,0,0|1,1,0]=4 827 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [1,0,0,1,0,0|1,1,0]=4 828 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [1,0,0,1,0,0|1,1,0]=4 829 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [1,0,0,1,0,0|0,0,2]=4 830 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [1,0,0,1,0,0|0,0,2]=4 831 B7R1.2 O=C1N=C(NN1)S MCULE-4550378114 [1,0,0,1,0,0|2,0,0]=4 832 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [1,0,0,1,0,0|1,0,1]=4 833 B7R1.3 CC1=CCCC=C1 MCULE-6224653152 [1,0,0,1,0,0|2,0,0]=4 834 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [1,0,0,1,0,0|1,0,0]=3 835 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [1,0,0,1,0,0|0,0,0]=2 836 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [1,0,0,1,0,0|1,0,0]=3 837 B7R1.3 O=C1C=CCOC1 MCULE-4817981961 [1,0,0,1,0,0|2,0,0]=4 838 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [1,0,0,1,0,0|1,1,0]=4 839 B7R1.3 O=C1C=COCN1 MCULE-7471476237 [1,0,0,1,0,0|0,1,0]=3 840 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [1,0,0,1,0,0|0,0,2]=4 841 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [1,0,0,1,0,0|0,0,2]=4 842 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [1,0,0,1,0,0|1,0,1]=4 843 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [1,0,0,1,0,0|1,0,1]=4 844 B7R1.3 O=C1COCCN1 MCULE-8242898041 [1,0,0,1,0,0|0,1,1]=4 845 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [1,0,0,1,0,0|0,0,1]=3 846 B7R1.3 O=C1NCCCN1 MCULE-4876148406 [1,0,0,1,0,0|1,0,1]=4 847 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [1,0,0,1,0,0|1,0,1]=4 848 B7R1.4 CC1=C(C=CS1)Br MCULE-6374195818 [1,0,0,1,0,0|2,0,0]=4 849 B7R1.4 CC1=C(C=CS1)Cl MCULE-9362082266 [1,0,0,1,0,0|2,0,0]=4 850 B7R1.4 CC1=C(C=CS1)N MCULE-4152889855 [1,0,0,1,0,0|2,0,0]=4 851 B7R1.4 CC1=C(C=CS1)N MCULE-4377439924 [1,0,0,1,0,0|2,0,0]=4 852 B7R1.4 CC1=C(SC=C1)C MCULE-6742776055 [1,0,0,1,0,0|2,0,0]=4 853 B7R1.4 CC1=CC=CN1C MCULE-7997774693 [1,0,0,1,0,0|1,0,1]=4 854 B7R1.4 CC1=CC=NN1C MCULE-9285969175 [1,0,0,1,0,0|2,0,0]=4 855 B7R1.4 CC1CSCC1=O MCULE-5611423322 [1,0,0,1,0,0|1,0,1]=4 856 B7R1.4 CN1C=CC=C1Cl MCULE-2760073099 [1,0,0,1,0,0|1,0,1]=4 857 B7R1.4 CN1C=CC=C1O MCULE-1520569878 [1,0,0,1,0,0|0,0,2]=4 858 B7R1.4 CN1C=CNC1=O MCULE-9198950029 [1,0,0,1,0,0|1,0,1]=4 859 B7R1.4 CN1CC=CC1=O MCULE-7879549885 [1,0,0,1,0,0|0,0,0]=2 860 B7R1.4 CN1CCCC1=O MCULE-1381506705 [1,0,0,1,0,0|0,0,2]=4 861 B7R1.4 CN1CCNC1=O MCULE-9774864412 [1,0,0,1,0,0|1,0,1]=4 862 B7R1.4 CN1CCOC1=O MCULE-7467321799 [1,0,0,1,0,0|1,0,1]=4 863 B7R1.4 CN1CNCC1=O MCULE-2252466841 [1,0,0,1,0,0|1,0,1]=4 864 B7R1.4 CN1N=CC=C1Br MCULE-7101001570 [1,0,0,1,0,0|2,0,0]=4 865 B7R1.4 CN1N=CC=C1Cl MCULE-8962391076 [1,0,0,1,0,0|2,0,0]=4 866 B7R1.4 CN1N=CC=C1F MCULE-6023753197 [1,0,0,1,0,0|2,0,0]=4 867 B7R1.4 CN1N=CC=C1I MCULE-2407065536 [1,0,0,1,0,0|2,0,0]=4 868 B7R1.4 CN1N=CC=C1N MCULE-1453941617 [1,0,0,1,0,0|2,0,0]=4 869 B7R1.4 CN1N=CC=C1N MCULE-2315795709 [1,0,0,1,0,0|2,0,0]=4 870 B7R1.4 CN1N=CC=C1O MCULE-1012956210 [1,0,0,1,0,0|1,0,1]=4 871 B7R1.4 CN1N=CC=C1O MCULE-9024912006 [1,0,0,1,0,0|1,0,1]=4 872 B7R1.4 CN1N=CCC1=O MCULE-2362806196 [1,0,0,1,0,0|1,0,1]=4 873 B7R1.4 CN1NC=CC1=O MCULE-4425265471 [1,0,0,1,0,0|1,0,0]=3 874 B7R1.4 CN1NC=NC1=O MCULE-2476320995 [1,0,0,1,0,0|2,0,0]=4 875 B7R1.4 CN1SC=CC1=O MCULE-3887229553 [1,0,0,1,0,0|0,0,0]=2 876 B7R1.4 CN1SC=CC1=O MCULE-5825912822 [1,0,0,1,0,0|0,0,0]=2 877 B7R1.4 CN1SC=CC1=S MCULE-4327458448 [1,0,0,1,0,0|0,1,0]=3 878 B7R1.8 CSC1CCC1=O MCULE-3892720319 [1,0,0,1,0,0|1,0,1]=4 879 B7R1.22 CNC(=O)C1CC1 MCULE-5799863193 [1,0,0,1,0,0|0,0,2]=4 880 B7R1.18 CC(=O)N1C=CC1 MCULE-4207230175 [1,0,0,1,0,0|2,0,0]=4 881 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [1,0,0,1,0,0|2,0,0]=4 882 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [1,0,0,1,0,0|2,0,0]=4 883 B7R1.24 C1=CCCCC=C1 MCULE-2850567195 [1,0,0,1,0,0|2,0,0]=4 884 B9R1.2 CCC1=CC(=O)CCC1 MCULE-3934640256 [0,1,0,1,0,0|2,0,0]=4 885 B9R1.2 CCC1=CC(=O)NC=C1 MCULE-5087892769 [0,1,0,1,0,0|1,0,1]=4 886 B9R1.2 CCC1=CC(=O)NN=C1 MCULE-9826055890 [0,1,0,1,0,0|1,0,1]=4 887 B9R1.2 CNC1=CC(=CC=C1)C MCULE-9634089160 [0,1,0,1,0,0|2,0,0]=4 888 B9R1.2 CNC1=CC(=CC=C1)C MCULE-9771012246 [0,1,0,1,0,0|2,0,0]=4 889 B9R1.2 CNC1=CC(=CN=C1)C MCULE-2266674249 [0,1,0,1,0,0|2,0,0]=4 890 B9R1.2 CNC1=CC(=NC=C1)C MCULE-1900315605 [0,1,0,1,0,0|2,0,0]=4 891 B9R1.2 CNC1=CC(=O)NC=N1 MCULE-6798868094 [0,1,0,1,0,0|1,0,1]=4 892 B9R1.2 CNC1=CC(=O)NN=C1 MCULE-5167454981 [0,1,0,1,0,0|1,0,1]=4 893 B9R1.2 CNC1=CC(=O)NN=C1 MCULE-6436720453 [0,1,0,1,0,0|1,0,1]=4 894 B9R1.2 CNC1=NC(=CC=C1)C MCULE-8975321989 [0,1,0,1,0,0|2,0,0]=4 895 B9R1.2 CNC1=NC(=CN=C1)C MCULE-8679453036 [0,1,0,1,0,0|2,0,0]=4 896 B9R1.2 CNC1=NC=CC(=C1)C MCULE-1010191107 [0,1,0,1,0,0|2,0,0]=4 897 B9R1.2 CNC1=NC=CC(=C1)C MCULE-5844483760 [0,1,0,1,0,0|2,0,0]=4 898 B9R1.2 CNC1=NC=CC(=N1)C MCULE-7659865194 [0,1,0,1,0,0|2,0,0]=4 899 B9R1.2 COC1=CC(=O)CCC1 MCULE-7315684808 [0,1,0,1,0,0|1,1,0]=4 900 B9R1.2 COC1=CC(=O)NN=C1 MCULE-9208622847 [0,1,0,1,0,0|0,1,1]=4 901 B9R1.2 CSC1=NC(=O)CCN1 MCULE-9697046626 [0,1,0,1,0,0|2,0,0]=4 902 B9R1.2 CSC1=NC(=O)NC=C1 MCULE-1363527504 [0,1,0,1,0,0|1,0,1]=4 903 B9R1.2 CSC1=NC(=O)NN=C1 MCULE-3277896589 [0,1,0,1,0,0|1,0,1]=4 904 B9R1.7 CCCC1=CC(=O)NO1 MCULE-6359118508 [0,1,0,1,0,0|2,0,0]=4 905 B9R1.7 CCCC1=CC(=O)OC1 MCULE-9632653901 [0,1,0,1,0,0|2,0,0]=4 906 B9R1.7 CCOC1=CC(=O)CC1 MCULE-4336671577 [0,1,0,1,0,0|1,1,0]=4 907 B9R1.7 CNCC1=CC=C(O1)C MCULE-5649725821 [0,1,0,1,0,0|1,0,1]=4 908 B9R1.7 CNCC1=CC=C(O1)C MCULE-7202024234 [0,1,0,1,0,0|1,0,1]=4 909 B9R1.7 CNCC1=CC=C(S1)C MCULE-3019737565 [0,1,0,1,0,0|1,1,0]=4 910 B9R1.7 CNCC1=CC=C(S1)C MCULE-7106414407 [0,1,0,1,0,0|1,1,0]=4 911 B9R1.7 CNCC1=NN(C=C1)C MCULE-6342634077 [0,1,0,1,0,0|2,0,0]=4 912 B9R1.7 CNCC1=NN(C=C1)C MCULE-9260288556 [0,1,0,1,0,0|2,0,0]=4 913 B9R1.22 CCC1=C(NC(=O)N1)C MCULE-1852773802 [0,1,0,1,0,0|2,0,0]=4 914 B9R1.22 CCC1=CC(=NN1C)N MCULE-1856748866 [0,1,0,1,0,0|2,0,0]=4 915 B9R1.22 CCC1=CC(=NN1C)N MCULE-8427144994 [0,1,0,1,0,0|2,0,0]=4 916 B9R1.22 CNC1=CC(=NN1C)C MCULE-8056578081 [0,1,0,1,0,0|2,0,0]=4 917 B9R1.22 COC1=CC(=NN1C)C MCULE-8265747457 [0,1,0,1,0,0|1,1,0]=4 918 B9R1.22 COC1=CC(=NN1C)N MCULE-5972576770 [0,1,0,1,0,0|1,1,0]=4 919 B9R1.22 COC1=CC(=NN1C)N MCULE-8307201535 [0,1,0,1,0,0|1,1,0]=4 920 B9R1.22 CSC1=CC(=NN1C)N MCULE-3878443602 [0,1,0,1,0,0|1,0,0]=3 921 B9R1.22 CSC1=NC(=NN1C)N MCULE-6591164212 [0,1,0,1,0,0|2,0,0]=4 922 B9R1.27 CCN1C(=O)C=CC1=O MCULE-9216989340 [0,1,0,1,0,0|2,0,0]=4 923 B9R1.27 O=C1C=CC(=O)N1CO MCULE-9063303630 [0,1,0,1,0,0|2,0,0]=4 924 B9R1.33 CS/C=C/1\CCNC1=S MCULE-9882419134 [0,1,0,1,0,0|0,1,0]=3 925 B9R1.33 CSC=C1CCNC1=S MCULE-2141066208 [0,1,0,1,0,0|0,1,0]=3 926 B9R1.48 CC1=CC(=NCCN1)C MCULE-2717923585 [0,1,0,1,0,0|2,0,0]=4 927 B9R1.48 CC1=CC(=NCCN1)C MCULE-9879421891 [0,1,0,1,0,0|2,0,0]=4 928 B9R1.48 CC1=CC(=O)CCCC1 MCULE-5466118884 [0,1,0,1,0,0|2,0,0]=4 929 B9R1.48 CC1CC(=O)NCCS1 MCULE-3715670462 [0,1,0,1,0,0|0,0,2]=4 930 B9R1.48 O=C1CCCNC(=O)C1 MCULE-3387303399 [0,1,0,1,0,0|1,0,1]=4 931 B9R1.50 O=C1C=CCCCCC1 MCULE-8923461119 [0,1,0,1,0,0|2,0,0]=4 932 B9R1.69 CC1=C(C=CC(=O)N1)Br MCULE-4521117941 [0,1,0,1,0,0|2,0,0]=4 933 B9R1.69 CC1=C(C=CC(=O)N1)F MCULE-7194077740 [0,1,0,1,0,0|2,0,0]=4 934 B9R1.69 CC1=C(C=CC(=O)N1)I MCULE-5617997142 [0,1,0,1,0,0|2,0,0]=4 935 B9R1.69 CC1=C(NC(=O)C=C1)C MCULE-4420397888 [0,1,0,1,0,0|1,0,0]=3 936 B9R1.69 CC1=C(NC(=O)C=N1)C MCULE-9118396111 [0,1,0,1,0,0|2,0,0]=4 937 B9R1.69 CC1=CC(=NNC1=O)C MCULE-2276135867 [0,1,0,1,0,0|2,0,0]=4 938 B9R1.69 CC1=CN(C(=O)C=C1)C MCULE-1546546528 [0,1,0,1,0,0|1,0,0]=3 939 B9R1.69 CC1=CN(C(=O)N=C1)C MCULE-3356157997 [0,1,0,1,0,0|2,0,0]=4 940 B9R1.69 CC1=CNC(=O)C(=C1)C MCULE-6887477159 [0,1,0,1,0,0|1,0,1]=4 941 B9R1.69 CC1=CNC(=O)C=C1C MCULE-7565124087 [0,1,0,1,0,0|1,0,1]=4 942 B9R1.69 CC1=CNC(=O)C=C1I MCULE-9234300230 [0,1,0,1,0,0|1,0,1]=4 943 B9R1.69 CC1=NN(C(=O)C=C1)C MCULE-6774020661 [0,1,0,1,0,0|1,0,0]=3 944 B9R1.69 CC1=NNC(=O)C(=C1)Br MCULE-6107619006 [0,1,0,1,0,0|2,0,0]=4 945 B9R1.69 CC1=NNC(=O)C(=C1)N MCULE-9251244624 [0,1,0,1,0,0|2,0,0]=4 946 B9R1.69 CC1CCC(=O)C=C1O MCULE-7850328397 [0,1,0,1,0,0|2,0,0]=4 947 B9R1.69 CC1CNC(=O)CC1=O MCULE-2909713030 [0,1,0,1,0,0|1,0,1]=4 948 B9R1.69 CN1C=C(C=CC1=O)Br MCULE-1988854688 [0,1,0,1,0,0|1,0,1]=4 949 B9R1.69 CN1C=C(C=CC1=O)Cl MCULE-8552019856 [0,1,0,1,0,0|1,0,1]=4 950 B9R1.69 CN1C=C(C=CC1=O)F MCULE-8044075655 [0,1,0,1,0,0|1,0,1]=4 951 B9R1.69 CN1C=C(C=CC1=O)I MCULE-3859652678 [0,1,0,1,0,0|1,0,1]=4 952 B9R1.69 CN1C=C(C=CC1=O)N MCULE-3185695492 [0,1,0,1,0,0|1,0,1]=4 953 B9R1.69 CN1C=C(C=CC1=O)N MCULE-8506567791 [0,1,0,1,0,0|1,0,1]=4 954 B9R1.69 CN1C=C(C=CC1=O)N MCULE-8565219040 [0,1,0,1,0,0|1,0,1]=4 955 B9R1.69 CN1C=C(C=CC1=O)O MCULE-9715288226 [0,1,0,1,0,0|1,0,1]=4 956 B9R1.69 CN1C=CC(=CC1=O)Br MCULE-7580325156 [0,1,0,1,0,0|1,0,1]=4 957 B9R1.69 CN1C=CC(=CC1=O)I MCULE-5936034341 [0,1,0,1,0,0|1,0,1]=4 958 B9R1.69 CN1C=CC(=CC1=O)N MCULE-2026478732 [0,1,0,1,0,0|1,0,1]=4 959 B9R1.69 CN1C=CC(=CC1=O)N MCULE-9701068288 [0,1,0,1,0,0|1,0,1]=4 960 B9R1.69 CN1C=CC(=CC1=O)O MCULE-8018311546 [0,1,0,1,0,0|1,0,1]=4 961 B9R1.69 CN1C=CC(=O)NC1=O MCULE-4954410074 [0,1,0,1,0,0|1,0,1]=4 962 B9R1.69 CN1C=CC(=O)NC1=S MCULE-6286998648 [0,1,0,1,0,0|1,0,1]=4 963 B9R1.69 CN1C=NC(=CC1=O)Br MCULE-2859951713 [0,1,0,1,0,0|1,0,1]=4 964 B9R1.69 CN1C=NC(=CC1=O)Cl MCULE-1425122742 [0,1,0,1,0,0|1,0,1]=4 965 B9R1.69 CN1C=NC(=CC1=O)N MCULE-7215741667 [0,1,0,1,0,0|1,0,1]=4 966 B9R1.69 CN1C=[N+](C=CC1=O)C MCULE-1388186103 [0,1,0,1,0,0|1,0,0]=3 967 B9R1.69 CN1C=[N+](C=CC1=O)C MCULE-6713109285 [0,1,0,1,0,0|1,0,0]=3 968 B9R1.69 CN1CCC(=NC1=O)N MCULE-4517300685 [0,1,0,1,0,0|2,0,0]=4 969 B9R1.69 CN1CCC(=O)CC1=O MCULE-7583281341 [0,1,0,1,0,0|1,0,1]=4 970 B9R1.69 CN1CCC(=O)NC1=O MCULE-1338210074 [0,1,0,1,0,0|2,0,0]=4 971 B9R1.69 CN1N=C(C=CC1=O)Br MCULE-6164372071 [0,1,0,1,0,0|2,0,0]=4 972 B9R1.69 CN1N=C(C=CC1=O)Cl MCULE-3920332223 [0,1,0,1,0,0|2,0,0]=4 973 B9R1.69 CN1N=C(C=CC1=O)N MCULE-8055332798 [0,1,0,1,0,0|2,0,0]=4 974 B9R1.69 CN1N=C(C=CC1=O)O MCULE-8163221889 [0,1,0,1,0,0|2,0,0]=4 975 B9R1.69 CN1N=CC(=CC1=O)Br MCULE-2705393178 [0,1,0,1,0,0|2,0,0]=4 976 B9R1.69 CN1N=CC(=CC1=O)Cl MCULE-5152079799 [0,1,0,1,0,0|2,0,0]=4 977 B9R1.69 CN1N=CC(=CC1=O)I MCULE-9775880839 [0,1,0,1,0,0|2,0,0]=4 978 B9R1.69 CN1N=CC(=CC1=O)N MCULE-3332759027 [0,1,0,1,0,0|2,0,0]=4 979 B9R1.75 CCOC(=O)C=C1CC1 MCULE-5440757168 [0,1,0,1,0,0|2,0,0]=4 980 B9R1.3 CC1=C(C(=O)C=CN1)C MCULE-5006486359 [0,1,0,1,0,0|2,0,0]=4 981 B9R1.3 CN1C(=O)C=CC=C1Br MCULE-9204623492 [0,1,0,1,0,0|1,0,1]=4 982 B9R1.3 CN1C(=O)C=CC=C1Cl MCULE-9231681198 [0,1,0,1,0,0|1,0,1]=4 983 B9R1.3 CN1C(=O)C=CC=C1N MCULE-2055741339 [0,1,0,1,0,0|1,0,1]=4 984 B9R1.3 CN1C(=O)C=CC=C1N MCULE-8809604678 [0,1,0,1,0,0|1,0,1]=4 985 B9R1.3 CN1C(=O)C=CN=C1N MCULE-3426992585 [0,1,0,1,0,0|1,0,1]=4 986 B9R1.3 CN1C(=O)C=CNC1=O MCULE-5392412214 [0,1,0,1,0,0|1,0,1]=4 987 B9R1.3 CN1C(=O)C=CNC1=S MCULE-1210464407 [0,1,0,1,0,0|1,0,1]=4 988 B9R1.3 CN1C(=O)C=NC=C1Cl MCULE-6752384652 [0,1,0,1,0,0|2,0,0]=4 989 B9R1.3 CN1C(=O)N=CC=C1N MCULE-4228941810 [0,1,0,1,0,0|2,0,0]=4 990 B9R1.3 CN1C=CC=C(C1=O)Br MCULE-1516709849 [0,1,0,1,0,0|1,0,1]=4 991 B9R1.3 CN1C=CC=C(C1=O)I MCULE-8607578723 [0,1,0,1,0,0|1,0,1]=4 992 B9R1.3 CN1C=CC=C(C1=O)N MCULE-7766969130 [0,1,0,1,0,0|1,0,1]=4 993 B9R1.3 CN1C=CC=C(C1=O)N MCULE-9742693821 [0,1,0,1,0,0|1,0,1]=4 994 B9R1.3 CN1C=CC=C(C1=O)O MCULE-6933477572 [0,1,0,1,0,0|1,0,1]=4 995 B9R1.3 CN1C=NC=C(C1=O)Br MCULE-1445969515 [0,1,0,1,0,0|1,0,1]=4 996 B9R1.3 CN1C=NC=C(C1=O)N MCULE-5282166990 [0,1,0,1,0,0|1,0,1]=4 997 B9R1.3 CN1CCNC(=O)C1=O MCULE-8196761481 [0,1,0,1,0,0|2,0,0]=4 998 B9R1.3 CN1N=CC=C(C1=O)Br MCULE-7066448914 [0,1,0,1,0,0|2,0,0]=4 999 B9R1.3 CN1N=CC=C(C1=O)Cl MCULE-3423799864 [0,1,0,1,0,0|2,0,0]=4 1000 B9R1.3 CN1N=CC=C(C1=O)N MCULE-1150351468 [0,1,0,1,0,0|2,0,0]=4 1001 B9R1.5 NC1CSCCNC1=O MCULE-7770173405 [0,1,0,1,0,0|0,0,2]=4 1002 B9R1.5 NC1CSCCNC1=O MCULE-9983094521 [0,1,0,1,0,0|0,0,2]=4 1003 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-1397409442 [0,1,0,1,0,0|0,0,2]=4 1004 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-7600788919 [0,1,0,1,0,0|0,0,2]=4 1005 B9R1.5 N[C@H]1CSCCNC1=O MCULE-4925355772 [0,1,0,1,0,0|0,0,2]=4 1006 B9R1.5 N[C@H]1CSCCNC1=O MCULE-6049507227 [0,1,0,1,0,0|0,0,2]=4 1007 B9R1.5 N[C@H]1CSCCNC1=O MCULE-8145988653 [0,1,0,1,0,0|0,0,2]=4 1008 B9R1.11 CCC(=O)C1=CSC=C1 MCULE-6525890952 [0,1,0,1,0,0|1,0,1]=4 1009 B9R1.11 CNC(=O)C1=CC=CN1 MCULE-3361185074 [0,1,0,1,0,0|1,0,1]=4 1010 B9R1.11 CNC(=O)C1=CC=CO1 MCULE-1487004354 [0,1,0,1,0,0|1,0,1]=4 1011 B9R1.11 CNC(=O)C1=CC=CS1 MCULE-3669284340 [0,1,0,1,0,0|1,0,1]=4 1012 B9R1.11 CNC(=O)C1=CN=CN1 MCULE-5759305620 [0,1,0,1,0,0|1,0,1]=4 1013 B9R1.11 CNC(=O)C1=CNN=C1 MCULE-9468350330 [0,1,0,1,0,0|1,0,1]=4 1014 B9R1.11 CNC(=O)C1=CSC=C1 MCULE-1963219302 [0,1,0,1,0,0|0,0,1]=3 1015 B9R1.11 CNC(=O)C1=NNC=C1 MCULE-7028350973 [0,1,0,1,0,0|2,0,0]=4 1016 B9R1.11 CNC(=O)N1C=CN=C1 MCULE-9971917384 [0,1,0,1,0,0|1,0,1]=4 1017 B9R1.11 COC(=O)C1=CCCC1 MCULE-3606282792 [0,1,0,1,0,0|2,0,0]=4 1018 B9R1.11 COC(=O)C1=CCSC1 MCULE-2255227686 [0,1,0,1,0,0|1,0,0]=3 1019 B9R1.11 COC(=O)C1=COCC1 MCULE-7180516511 [0,1,0,1,0,0|1,1,0]=4 1020 B9R1.11 COC(=O)C1=CSC=C1 MCULE-3297346362 [0,1,0,1,0,0|1,0,1]=4 1021 B9R1.11 COC(=O)C1=CSC=N1 MCULE-4849990142 [0,1,0,1,0,0|1,0,1]=4 1022 B9R1.11 COC(=O)C1=CSN=C1 MCULE-7173282244 [0,1,0,1,0,0|1,0,1]=4 1023 B9R1.11 COC(=O)C1=CSN=N1 MCULE-2896926048 [0,1,0,1,0,0|2,0,0]=4 1024 B9R1.11 COC(=O)C1=NSC=C1 MCULE-1031368275 [0,1,0,1,0,0|2,0,0]=4 1025 B9R1.11 CSC(=O)C1=CSC=N1 MCULE-2871571960 [0,1,0,1,0,0|1,0,1]=4 1026 B9R1.11 NNC(=O)C1=CSC=C1 MCULE-8094630241 [0,1,0,1,0,0|1,0,1]=4 1027 B9R1.11 NNC(=O)C1=CSC=N1 MCULE-6371722037 [0,1,0,1,0,0|1,0,1]=4 1028 B9R1.11 NNC(=O)C1=CSN=N1 MCULE-7282588090 [0,1,0,1,0,0|2,0,0]=4 1029 B9R1.11 NNC(=O)C1=NSN=C1 MCULE-4203613856 [0,1,0,1,0,0|2,0,0]=4 1030 B9R1.11 O=C(NO)C1=CCCC1 MCULE-3789818826 [0,1,0,1,0,0|2,0,0]=4 1031 B9R1.11 O=C(NO)C1=CSN=N1 MCULE-7901073998 [0,1,0,1,0,0|2,0,0]=4 1032 B9R1.28 COC1=C(C(=O)C1=O)C MCULE-7904850595 [0,1,0,1,0,0|1,1,0]=4 1033 B9R1.37 C1(C(=O)OC(=O)N1C)C MCULE-3598751334 [0,1,0,1,0,0|2,0,0]=4 1034 B9R1.37 CC1=C(N(C(=O)N1)C)C MCULE-4200291906 [0,1,0,1,0,0|2,0,0]=4 1035 B9R1.37 CC1=C(N(C(=O)N1)C)C MCULE-6554777788 [0,1,0,1,0,0|2,0,0]=4 1036 B9R1.37 CC1=CC(=[N+](N1C)C)C MCULE-7793276074 [0,1,0,1,0,0|2,0,0]=4 1037 B9R1.37 CC1=CC(=[N+](N1C)C)C MCULE-8655099411 [0,1,0,1,0,0|2,0,0]=4 1038 B9R1.37 CC1C(=O)CC(=O)N1C MCULE-5385796348 [0,1,0,1,0,0|1,0,1]=4 1039 B9R1.37 CC1C(=O)CC(=O)N1C MCULE-6531132040 [0,1,0,1,0,0|1,0,1]=4 1040 B9R1.37 CC1C(=O)NC(=O)N1C MCULE-8491807319 [0,1,0,1,0,0|2,0,0]=4 1041 B9R1.37 CC1C(=O)OC(=O)N1C MCULE-1864135953 [0,1,0,1,0,0|2,0,0]=4 1042 B9R1.37 CN1C(=O)C=C(C1=O)Br MCULE-6711543006 [0,1,0,1,0,0|2,0,0]=4 1043 B9R1.37 CN1C(=O)C=C(C1=O)N MCULE-4181324260 [0,1,0,1,0,0|2,0,0]=4 1044 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C MCULE-4681877546 [0,1,0,1,0,0|2,0,0]=4 1045 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C MCULE-6732719128 [0,1,0,1,0,0|2,0,0]=4 1046 B9R1.37 C[C@H]1C(=O)OC(=O)N1C MCULE-7917103150 [0,1,0,1,0,0|2,0,0]=4 1047 B9R1.37 C[C@H]1C(=O)OC(=O)N1C MCULE-9101652594 [0,1,0,1,0,0|2,0,0]=4 1048 B9R1.101 COC(=O)C(=C1CC1)Cl MCULE-3517900678 [0,1,0,1,0,0|2,0,0]=4 1049 B9R1.132 CC1=CC=C(N1C)C#N MCULE-4848841290 [0,1,0,1,0,0|2,0,0]=4 1050 B9R1.132 CC1=CC=C(N1C)C=O MCULE-6660852220 [0,1,0,1,0,0|1,0,0]=3 1051 B9R1.132 CC1=CC=C(N1C)CN MCULE-6062893114 [0,1,0,1,0,0|2,0,0]=4 1052 B9R1.132 CC1=CN=C(N1C)C=O MCULE-8491335694 [0,1,0,1,0,0|2,0,0]=4 1053 B9R1.132 CC1=NC=C(N1C)C=O MCULE-5171530868 [0,1,0,1,0,0|2,0,0]=4 1054 B9R1.132 CCC1=C(C(=O)CC1)O MCULE-3983794608 [0,1,0,1,0,0|2,0,0]=4 1055 B9R1.132 CCC1=C(C(=O)NC1)C MCULE-7695528957 [0,1,0,1,0,0|1,0,0]=3 1056 B9R1.132 CN1C(=CC=C1C=O)Br MCULE-8695304717 [0,1,0,1,0,0|2,0,0]=4 1057 B9R1.132 COC1=C(C(=O)CC1)Br MCULE-3706141828 [0,1,0,1,0,0|1,1,0]=4 1058 B9R1.132 COC1=NNC(=O)N1C MCULE-4138247121 [0,1,0,1,0,0|1,1,0]=4 1059 B9R1.1 CCC1=CNC(=O)C=C1 MCULE-1841228387 [0,1,0,1,0,0|1,0,1]=4 1060 B9R1.1 CNC1=CC=C(C=C1)C MCULE-1472540206 [0,1,0,1,0,0|2,0,0]=4 1061 B9R1.1 CNC1=CC=C(C=C1)C MCULE-3084750931 [0,1,0,1,0,0|2,0,0]=4 1062 B9R1.1 CNC1=CC=C(N=C1)C MCULE-1210760057 [0,1,0,1,0,0|2,0,0]=4 1063 B9R1.1 CNC1=NC=C(C=C1)C MCULE-1763355861 [0,1,0,1,0,0|2,0,0]=4 1064 B9R1.1 CNC1=NN=C(C=C1)C MCULE-1599833191 [0,1,0,1,0,0|2,0,0]=4 1065 B9R1.1 COC1=CNC(=O)C=N1 MCULE-5554531600 [0,1,0,1,0,0|0,1,1]=4 1066 B9R1.1 COC1=NNC(=O)C=C1 MCULE-3763017253 [0,1,0,1,0,0|1,1,0]=4 1067 B9R1.1 N#CC1=CNC(=O)NC1 MCULE-2895626671 [0,1,0,1,0,0|2,0,0]=4 1068 B9R1.1 NCC1=CNC(=O)C=C1 MCULE-1151449929 [0,1,0,1,0,0|1,0,1]=4 1069 B9R1.1 NCC1=NNC(=O)C=C1 MCULE-3839827679 [0,1,0,1,0,0|2,0,0]=4 1070 B9R1.1 NCC1=NNC(=O)C=C1 MCULE-9002975777 [0,1,0,1,0,0|2,0,0]=4 1071 B9R1.1 O=C1C=CC(=NN1)CBr MCULE-9321606526 [0,1,0,1,0,0|2,0,0]=4 1072 B9R1.21 CCC1=CC=C(S1)SC MCULE-2811596699 [0,1,0,1,0,0|1,1,0]=4 1073 B9R1.21 CCC1=CSC(=N1)NC MCULE-3807662244 [0,1,0,1,0,0|2,0,0]=4 1074 B9R1.21 CCC1=NNC(=C1)C=O MCULE-5818390719 [0,1,0,1,0,0|2,0,0]=4 1075 B9R1.21 CNC1=NN=C(S1)SC MCULE-4584121724 [0,1,0,1,0,0|1,1,0]=4 1076 B9R1.21 CNC1=NN=C(S1)SC MCULE-7266561687 [0,1,0,1,0,0|1,1,0]=4 1077 B9R1.21 CSC1=CC(=CS1)C=O MCULE-8373084286 [0,1,0,1,0,0|2,0,0]=4 1078 B9R1.21 CSC1=CC(=NN1)C=O MCULE-2151301111 [0,1,0,1,0,0|1,0,1]=4 1079 B9R1.21 CSC1=CC=C(S1)SC MCULE-2555190560 [0,1,0,1,0,0|1,1,0]=4 1080 B9R1.79 COC(=O)C=C1CCC1 MCULE-7476214558 [0,1,0,1,0,0|2,0,0]=4 1081 B9R1.79 COC(=O)C=C1COC1 MCULE-1345836806 [0,1,0,1,0,0|1,1,0]=4 1082 B9R1.79 COC(=O)C=C1CSC1 MCULE-6325683340 [0,1,0,1,0,0|1,0,0]=3 1083 B9R1.80 COC(=O)/C=C/C1CC1 MCULE-1092004421 [0,1,0,1,0,0|2,0,0]=4 1084 B9R1.80 COC(=O)C=CC1CC1 MCULE-6495899864 [0,1,0,1,0,0|2,0,0]=4 1085 B9R1.23 CCC1=NN(C(=C1)Cl)C MCULE-2576667241 [0,1,0,1,0,0|2,0,0]=4 1086 B9R1.23 CCC1=NN(C(=C1)N)C MCULE-8650289316 [0,1,0,1,0,0|2,0,0]=4 1087 B9R1.23 CCC1=NN(C(=C1)O)C MCULE-9428010792 [0,1,0,1,0,0|1,0,1]=4 1088 B9R1.23 CCC1=NN(C(=O)C1)C MCULE-5141838140 [0,1,0,1,0,0|1,0,1]=4 1089 B9R1.23 CNC1=NN(C(=C1)C)C MCULE-4221105624 [0,1,0,1,0,0|2,0,0]=4 1090 B9R1.23 COC1=CC(=O)N(C1)C MCULE-8240420653 [0,1,0,1,0,0|0,1,0]=3 1091 B9R1.23 COC1=NN(C(=C1)C)C MCULE-7298483629 [0,1,0,1,0,0|1,1,0]=4 1092 B9R1.23 COC1=NN(C(=C1)N)C MCULE-6929688723 [0,1,0,1,0,0|1,1,0]=4 1093 B9R1.23 COC1=NN(C(=C1)N)C MCULE-8436366696 [0,1,0,1,0,0|1,1,0]=4 1094 B9R1.23 CSC1=CC(=C(S1)C)Br MCULE-7798062989 [0,1,0,1,0,0|2,0,0]=4 1095 B9R1.23 CSC1=NC(=O)C(N1)C MCULE-5159723733 [0,1,0,1,0,0|2,0,0]=4 1096 B9R1.23 CSC1=NN(C(=C1)N)C MCULE-3569301984 [0,1,0,1,0,0|1,0,0]=3 1097 B9R1.35 CC(N)C1=CC(=O)NN1 MCULE-3621779422 [0,1,0,1,0,0|2,0,0]=4 1098 B9R1.35 CC(N)C1=CC(=O)NN1 MCULE-6717835364 [0,1,0,1,0,0|2,0,0]=4 1099 B9R1.35 CC1=CC=C(S1)N(C)C MCULE-8353802329 [0,1,0,1,0,0|1,1,0]=4 1100 B9R1.40 CC1(CCC=CC1=O)C MCULE-1811364024 [0,1,0,1,0,0|2,0,0]=4 1101 B9R1.40 CC1(COC=CC1=O)C MCULE-6422133092 [0,1,0,1,0,0|1,1,0]=4 1102 B9R1.10 CC1(C=CC(=O)CC1)C MCULE-5124770449 [0,1,0,1,0,0|2,0,0]=4 1103 B9R2.20 CC1=CC=[N+]2N1CC2 MCULE-1819818089 [0,0,0,2,0,0|2,0,0]=4 1104 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [3,0,0,0,0,0|1,0,0]=4 1105 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [3,0,0,0,0,0|1,0,0]=4 1106 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [3,0,0,0,0,0|1,0,0]=4 1107 B4R0.1 C=CC(=C)C MCULE-1668999564 [3,0,0,0,0,0|1,0,0]=4 1108 B4R0.1 C=CC(=O)C MCULE-4924646293 [3,0,0,0,0,0|0,0,0]=3 1109 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [3,0,0,0,0,0|1,0,0]=4 1110 B4R0.1 C=CC(=O)N MCULE-4309430654 [3,0,0,0,0,0|0,0,0]=3 1111 B4R0.1 C=CC(=O)O MCULE-9352227082 [3,0,0,0,0,0|1,0,0]=4 1112 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [3,0,0,0,0,0|1,0,0]=4 1113 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [3,0,0,0,0,0|1,0,0]=4 1114 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [3,0,0,0,0,0|1,0,0]=4 1115 B4R0.1 CC(=O)C=O MCULE-2718961814 [3,0,0,0,0,0|0,1,0]=4 1116 B4R0.1 CC(=O)CS MCULE-9736174016 [3,0,0,0,0,0|0,0,1]=4 1117 B4R0.1 CC(=O)NBr MCULE-6502070876 [3,0,0,0,0,0|1,0,0]=4 1118 B4R0.1 CC(=O)NN MCULE-9183467120 [3,0,0,0,0,0|1,0,0]=4 1119 B4R0.1 CC(=O)NO MCULE-2682231025 [3,0,0,0,0,0|1,0,0]=4 1120 B4R0.1 CC=C(C)Br MCULE-1371905211 [3,0,0,0,0,0|1,0,0]=4 1121 B4R0.1 CC=C(C)C MCULE-4230157245 [3,0,0,0,0,0|1,0,0]=4 1122 B4R0.1 CC=C(C)Cl MCULE-3844314543 [3,0,0,0,0,0|1,0,0]=4 1123 B4R0.1 CCC(=O)C MCULE-8276670748 [3,0,0,0,0,0|0,0,1]=4 1124 B4R0.1 CCC(=O)N MCULE-3730796130 [3,0,0,0,0,0|0,0,1]=4 1125 B4R0.1 CCC(=O)S MCULE-3392119766 [3,0,0,0,0,0|1,0,0]=4 1126 B4R0.1 CNC(=O)C MCULE-2612997941 [3,0,0,0,0,0|0,0,0]=3 1127 B4R0.1 CNC(=O)Cl MCULE-7743744606 [3,0,0,0,0,0|1,0,0]=4 1128 B4R0.1 CNC(=O)N MCULE-6422331704 [3,0,0,0,0,0|1,0,0]=4 1129 B4R0.1 CNC(=S)C MCULE-8699171591 [3,0,0,0,0,0|0,1,0]=4 1130 B4R0.1 COC(=O)C MCULE-7368066093 [3,0,0,0,0,0|0,1,0]=4 1131 B4R0.1 COC(=O)N MCULE-4070607369 [3,0,0,0,0,0|0,1,0]=4 1132 B4R0.1 CSC(=N)N MCULE-1471368384 [3,0,0,0,0,0|1,0,0]=4 1133 B4R0.1 CSC(=N)N MCULE-3394284504 [3,0,0,0,0,0|1,0,0]=4 1134 B4R0.1 CSC(=N)N MCULE-3752198299 [3,0,0,0,0,0|1,0,0]=4 1135 B4R0.1 CSC(=N)N MCULE-5672446896 [3,0,0,0,0,0|1,0,0]=4 1136 B4R0.1 CSC(=N)N MCULE-8409992127 [3,0,0,0,0,0|1,0,0]=4 1137 B4R0.1 CSC(=O)C MCULE-7061634598 [3,0,0,0,0,0|0,0,0]=3 1138 B4R0.1 CSC(=S)C MCULE-4836153374 [3,0,0,0,0,0|0,1,0]=4 1139 B4R0.1 CSS(=O)C MCULE-6515592458 [3,0,0,0,0,0|1,0,0]=4 1140 B4R0.1 NC(=O)CS MCULE-2639305532 [3,0,0,0,0,0|0,0,1]=4 1141 B4R0.2 C/C=C/C=O MCULE-9924705308 [3,0,0,0,0,0|0,0,0]=3 1142 B4R0.2 C/C=C/OC MCULE-3906920304 [3,0,0,0,0,0|0,1,0]=4 1143 B4R0.2 C=CC=CC MCULE-4452516287 [3,0,0,0,0,0|0,0,1]=4 1144 B4R0.2 C=CCNC MCULE-3335720336 [3,0,0,0,0,0|0,0,1]=4 1145 B4R0.2 C=CCSC MCULE-4452023915 [3,0,0,0,0,0|0,0,1]=4 1146 B4R0.2 CC=CC=O MCULE-2497362981 [3,0,0,0,0,0|0,0,0]=3 1147 B4R0.2 CC=CCC MCULE-5931905453 [3,0,0,0,0,0|0,0,1]=4 1148 B4R0.2 CC=COC MCULE-6712403535 [3,0,0,0,0,0|0,1,0]=4 1149 B4R0.2 CC=CSC MCULE-5921906156 [3,0,0,0,0,0|0,0,0]=3 1150 B4R0.2 N/C=C/C=O MCULE-2444951625 [3,0,0,0,0,0|0,1,0]=4 1151 B4R0.2 NC=CC=O MCULE-4070918342 [3,0,0,0,0,0|0,1,0]=4 1152 B6R0.2 C/C(=C\C(=S)N)/N MCULE-9311101194 [2,1,0,0,0,0|0,1,0]=4 1153 B6R0.2 C=C(C)C=C(C)C MCULE-1842732141 [2,1,0,0,0,0|1,0,0]=4 1154 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [2,1,0,0,0,0|0,0,1]=4 1155 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [2,1,0,0,0,0|1,0,0]=4 1156 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [2,1,0,0,0,0|1,0,0]=4 1157 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [2,1,0,0,0,0|0,0,0]=3 1158 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [2,1,0,0,0,0|1,0,0]=4 1159 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [2,1,0,0,0,0|1,0,0]=4 1160 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [2,1,0,0,0,0|1,0,0]=4 1161 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [2,1,0,0,0,0|1,0,0]=4 1162 B6R0.2 CC(=CC(=S)N)N MCULE-2731073832 [2,1,0,0,0,0|0,1,0]=4 1163 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [2,1,0,0,0,0|0,0,1]=4 1164 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [2,1,0,0,0,0|0,0,0]=3 1165 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [2,1,0,0,0,0|0,0,0]=3 1166 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [2,1,0,0,0,0|0,0,0]=3 1167 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [2,1,0,0,0,0|0,0,0]=3 1168 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [2,1,0,0,0,0|0,0,0]=3 1169 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [2,1,0,0,0,0|0,0,0]=3 1170 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [2,1,0,0,0,0|0,0,0]=3 1171 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [2,1,0,0,0,0|0,0,0]=3 1172 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [2,1,0,0,0,0|0,0,1]=4 1173 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [2,1,0,0,0,0|0,0,1]=4 1174 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [2,1,0,0,0,0|1,0,0]=4 1175 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [2,1,0,0,0,0|1,0,0]=4 1176 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [2,1,0,0,0,0|1,0,0]=4 1177 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [2,1,0,0,0,0|1,0,0]=4 1178 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [2,1,0,0,0,0|0,0,1]=4 1179 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [2,1,0,0,0,0|0,0,1]=4 1180 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [2,1,0,0,0,0|1,0,0]=4 1181 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [2,1,0,0,0,0|1,0,0]=4 1182 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [2,1,0,0,0,0|1,0,0]=4 1183 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [2,1,0,0,0,0|1,0,0]=4 1184 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [2,1,0,0,0,0|1,0,0]=4 1185 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [2,1,0,0,0,0|0,0,0]=3 1186 B6R0.3 CC=C(C)C(=O)Cl MCULE-2974704783 [2,1,0,0,0,0|1,0,0]=4 1187 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [2,1,0,0,0,0|1,0,0]=4 1188 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [2,1,0,0,0,0|1,0,0]=4 1189 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [2,1,0,0,0,0|1,0,0]=4 1190 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [2,1,0,0,0,0|1,0,0]=4 1191 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [2,1,0,0,0,0|0,0,1]=4 1192 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [2,1,0,0,0,0|0,1,0]=4 1193 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [2,1,0,0,0,0|0,0,1]=4 1194 B6R0.8 C=CS(=O)(=O)NC MCULE-7095085694 [2,1,0,0,0,0|1,0,0]=4 1195 B6R0.9 C/C=C(/C=O)\CC MCULE-4811305564 [2,1,0,0,0,0|1,0,0]=4 1196 B6R0.9 C/N=C(\NC)/SC MCULE-5887112308 [2,1,0,0,0,0|1,0,0]=4 1197 B6R0.9 C/N=C(\NC)/SC MCULE-7506115046 [2,1,0,0,0,0|1,0,0]=4 1198 B6R0.9 CC=C(C=O)CC MCULE-3354209980 [2,1,0,0,0,0|1,0,0]=4 1199 B8R0.2 CNC(=O)C(Cl)C(=O)C MCULE-7816149596 [1,2,0,0,0,0|0,0,1]=4 1200 B8R0.2 COC(=O)C(=C(C)C)Br MCULE-8636120575 [1,2,0,0,0,0|1,0,0]=4 1201 B8R0.2 COC(=O)C(=O)N(C)C MCULE-3358727731 [1,2,0,0,0,0|0,1,0]=4 1202 B8R0.5 C/C=C/C(=O)OC(C)C MCULE-1616974622 [1,2,0,0,0,0|1,0,0]=4 1203 B8R0.5 CC=CC(=O)OC(C)C MCULE-1964573167 [1,2,0,0,0,0|1,0,0]=4 1204 B8R0.5 CCNC(=CC(=O)C)C MCULE-8804688598 [1,2,0,0,0,0|1,0,0]=4 1205 B8R0.5 CCOC(=O)/C=C(/C)\I MCULE-5085340581 [1,2,0,0,0,0|1,0,0]=4 1206 B8R0.5 CCOC(=O)/C=C(/C)\N MCULE-2741839757 [1,2,0,0,0,0|1,0,0]=4 1207 B8R0.5 CCOC(=O)/C=C(/C)\[O-] MCULE-8926472469 [1,2,0,0,0,0|1,0,0]=4 1208 B8R0.5 CCOC(=O)/C=C(/C)\[O-] MCULE-9996122453 [1,2,0,0,0,0|1,0,0]=4 1209 B8R0.5 CCOC(=O)/C=C(\C)/N MCULE-2531351299 [1,2,0,0,0,0|1,0,0]=4 1210 B8R0.5 CCOC(=O)C=C(C)C MCULE-2935651341 [1,2,0,0,0,0|1,0,0]=4 1211 B8R0.5 CCOC(=O)C=C(C)I MCULE-4319141798 [1,2,0,0,0,0|1,0,0]=4 1212 B8R0.5 CCOC(=O)C=C(C)N MCULE-5559390637 [1,2,0,0,0,0|1,0,0]=4 1213 B8R0.23 C/C(=C/C(=O)C(C)O)/N MCULE-2780359890 [1,2,0,0,0,0|1,0,0]=4 1214 B8R0.23 CC(=O)/C=C(\C)/N(C)C MCULE-5858591753 [1,2,0,0,0,0|1,0,0]=4 1215 B8R0.23 CC(=O)C=C(C)N(C)C MCULE-6217682800 [1,2,0,0,0,0|1,0,0]=4 1216 B8R0.23 CC(=O)CC(=O)N(C)C MCULE-7573334456 [1,2,0,0,0,0|0,0,1]=4 1217 B8R0.7 CCCC/C=C/C(=O)C MCULE-1532446839 [1,2,0,0,0,0|1,0,0]=4 1218 B8R0.7 CCCCC=CC(=O)C MCULE-6026245958 [1,2,0,0,0,0|1,0,0]=4 1219 B8R0.7 CCCSC=CC(=O)O MCULE-3074287995 [1,2,0,0,0,0|1,0,0]=4 1220 B8R0.7 CCCSC=CC(=O)[O-] MCULE-9917981235 [1,2,0,0,0,0|1,0,0]=4 1221 B8R0.28 CC(=O)/C=C/C=C(C)C MCULE-5490143321 [1,2,0,0,0,0|1,0,0]=4 1222 B8R0.28 CC(=O)/C=C/CC(C)C MCULE-3347834086 [1,2,0,0,0,0|1,0,0]=4 1223 B8R0.28 CC(=O)C=CC=C(C)C MCULE-5494168281 [1,2,0,0,0,0|1,0,0]=4 1224 B8R0.28 CC(=O)C=CCC(C)C MCULE-7397904120 [1,2,0,0,0,0|1,0,0]=4 1225 B8R0.28 CC(=O)CC=CC(C)C MCULE-1638476368 [1,2,0,0,0,0|1,0,0]=4 1226 B10R0.46 CNC(=O)C=C(N)C(=O)NC MCULE-3097064771 [0,3,0,0,0,0|1,0,0]=4 1227 B10R0.57 CON(C)C(=O)C=CC(C)C MCULE-4791454481 [0,3,0,0,0,0|1,0,0]=4 1228 B10R0.34 CCOC(=O)C=C(SC)SC MCULE-3259716220 [0,3,0,0,0,0|1,0,0]=4 1229 B10R0.51 COC(=O)C(=C(Br)SC)C#N MCULE-5229500473 [0,3,0,0,0,0|1,0,0]=4 1230 B10R0.54 CNC(=O)C(=CN(C)C)C#N MCULE-8583359786 [0,3,0,0,0,0|1,0,0]=4 1231 B6R1.2 CC1=CSC=C1 MCULE-1408158529 [2,0,0,1,0,0|1,0,0]=4 1232 B6R1.2 CC1=NSC=C1 MCULE-6941128185 [2,0,0,1,0,0|1,0,0]=4 1233 B6R1.2 NC1=CSC=C1 MCULE-1673174137 [2,0,0,1,0,0|1,0,0]=4 1234 B6R1.2 NC1=CSC=C1 MCULE-5461897385 [2,0,0,1,0,0|1,0,0]=4 1235 B6R1.2 NC1=CSC=C1 MCULE-6200615331 [2,0,0,1,0,0|1,0,0]=4 1236 B6R1.2 NC1=CSC=C1 MCULE-9439581665 [2,0,0,1,0,0|1,0,0]=4 1237 B6R1.2 NC1=NSC=C1 MCULE-2731864153 [2,0,0,1,0,0|1,0,0]=4 1238 B6R1.2 NC1=NSC=C1 MCULE-4778941442 [2,0,0,1,0,0|1,0,0]=4 1239 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [2,0,0,1,0,0|0,0,0]=3 1240 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [2,0,0,1,0,0|0,0,0]=3 1241 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [2,0,0,1,0,0|1,0,0]=4 1242 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [2,0,0,1,0,0|1,0,0]=4 1243 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [2,0,0,1,0,0|1,0,0]=4 1244 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [2,0,0,1,0,0|0,0,0]=3 1245 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [2,0,0,1,0,0|0,0,0]=3 1246 B6R1.2 O=C1CCSC1 MCULE-2059655624 [2,0,0,1,0,0|0,0,1]=4 1247 B6R1.2 O=C1CSCN1 MCULE-3946660854 [2,0,0,1,0,0|0,0,1]=4 1248 B6R1.1 C1=CCCC=C1 MCULE-9111393952 [2,0,0,1,0,0|1,0,0]=4 1249 B6R1.1 C1=CCNCC1 MCULE-4850984502 [2,0,0,1,0,0|0,0,1]=4 1250 B6R1.1 C1=CCNCC1 MCULE-9744767398 [2,0,0,1,0,0|0,0,1]=4 1251 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [1,1,0,1,0,0|1,0,0]=4 1252 B8R1.4 CC1=CC(=O)NC=N1 MCULE-4546584000 [1,1,0,1,0,0|0,0,1]=4 1253 B8R1.4 CC1=CC(=O)NN=C1 MCULE-4739919200 [1,1,0,1,0,0|0,0,1]=4 1254 B8R1.4 CC1=CC(=O)NON1 MCULE-9289039883 [1,1,0,1,0,0|1,0,0]=4 1255 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [1,1,0,1,0,0|1,0,0]=4 1256 B8R1.4 CC1=CC=CC(=O)N1 MCULE-2763977381 [1,1,0,1,0,0|0,0,1]=4 1257 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [1,1,0,1,0,0|1,0,0]=4 1258 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [1,1,0,1,0,0|1,0,0]=4 1259 B8R1.4 O=C1C=C(CCC1)Br MCULE-3733885681 [1,1,0,1,0,0|1,0,0]=4 1260 B8R1.4 O=C1C=C(CCC1)Cl MCULE-9612484193 [1,1,0,1,0,0|1,0,0]=4 1261 B8R1.4 O=C1C=C(CCC1)I MCULE-4085762002 [1,1,0,1,0,0|1,0,0]=4 1262 B8R1.4 O=C1C=C(CCC1)O MCULE-5615245957 [1,1,0,1,0,0|1,0,0]=4 1263 B8R1.4 O=C1C=C(CCN1)Br MCULE-5356952780 [1,1,0,1,0,0|0,0,0]=3 1264 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [1,1,0,1,0,0|0,0,1]=4 1265 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [1,1,0,1,0,0|1,0,0]=4 1266 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [1,1,0,1,0,0|1,0,0]=4 1267 B8R1.18 CC1=C(NC(=O)N1)C MCULE-1459949338 [1,1,0,1,0,0|1,0,0]=4 1268 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [1,1,0,1,0,0|1,0,0]=4 1269 B8R1.18 CC1=C(SC(=O)N1)C MCULE-3147831549 [1,1,0,1,0,0|1,0,0]=4 1270 B8R1.18 CC1=CC(=NN1C)Br MCULE-1257507981 [1,1,0,1,0,0|1,0,0]=4 1271 B8R1.18 CC1=CC(=NN1C)C MCULE-1448165985 [1,1,0,1,0,0|1,0,0]=4 1272 B8R1.18 CC1=CC(=NN1C)Cl MCULE-7510550347 [1,1,0,1,0,0|1,0,0]=4 1273 B8R1.18 CC1=CC(=NN1C)I MCULE-9662512319 [1,1,0,1,0,0|1,0,0]=4 1274 B8R1.18 CC1=CC(=NN1C)N MCULE-2964274557 [1,1,0,1,0,0|1,0,0]=4 1275 B8R1.18 CC1=CC(=NN1C)N MCULE-7580190703 [1,1,0,1,0,0|1,0,0]=4 1276 B8R1.18 CC1=CC(=NN1C)N MCULE-8924336851 [1,1,0,1,0,0|1,0,0]=4 1277 B8R1.18 CC1=CC(=O)C(O1)C MCULE-7165152063 [1,1,0,1,0,0|1,0,0]=4 1278 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [1,1,0,1,0,0|1,0,0]=4 1279 B8R1.18 CC1=CC(=O)N(N1)C MCULE-5732152928 [1,1,0,1,0,0|0,0,0]=3 1280 B8R1.18 CC1=CC(=O)NC1=O MCULE-3109096484 [1,1,0,1,0,0|0,0,1]=4 1281 B8R1.18 CC1=CC(=O)NN1C MCULE-4105771613 [1,1,0,1,0,0|0,0,0]=3 1282 B8R1.18 CC1=CC(=O)NN1C MCULE-5102421138 [1,1,0,1,0,0|0,0,0]=3 1283 B8R1.18 CC1=CC(=O)OC1O MCULE-2111708862 [1,1,0,1,0,0|1,0,0]=4 1284 B8R1.18 CC1=CC(=O)O[C@@H]1O MCULE-3894053073 [1,1,0,1,0,0|1,0,0]=4 1285 B8R1.18 CC1=CN(C(=O)N1)C MCULE-6864157223 [1,1,0,1,0,0|1,0,0]=4 1286 B8R1.18 CC1=NN(C(=C1)Br)C MCULE-3369204750 [1,1,0,1,0,0|1,0,0]=4 1287 B8R1.18 CC1=NN(C(=C1)Br)C MCULE-7458539333 [1,1,0,1,0,0|1,0,0]=4 1288 B8R1.18 CC1=NN(C(=C1)Br)C MCULE-8200789805 [1,1,0,1,0,0|1,0,0]=4 1289 B8R1.18 CC1=NN(C(=C1)Cl)C MCULE-4837583179 [1,1,0,1,0,0|1,0,0]=4 1290 B8R1.18 CC1=NN(C(=C1)F)C MCULE-1231365641 [1,1,0,1,0,0|1,0,0]=4 1291 B8R1.18 CC1=NN(C(=C1)I)C MCULE-9581043922 [1,1,0,1,0,0|1,0,0]=4 1292 B8R1.18 CC1=NN(C(=C1)N)C MCULE-1485381806 [1,1,0,1,0,0|1,0,0]=4 1293 B8R1.18 CC1=NN(C(=C1)N)C MCULE-7600082013 [1,1,0,1,0,0|1,0,0]=4 1294 B8R1.18 CC1=NN(C(=C1)O)C MCULE-7315212286 [1,1,0,1,0,0|0,0,1]=4 1295 B8R1.18 CC1=NN(C(=O)C1)C MCULE-3316902396 [1,1,0,1,0,0|0,0,1]=4 1296 B8R1.18 CN1CC(=O)CC1=O MCULE-9941627549 [1,1,0,1,0,0|0,0,1]=4 1297 B8R1.18 CN1CC(=O)NC1=O MCULE-6246850639 [1,1,0,1,0,0|1,0,0]=4 1298 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [1,1,0,1,0,0|1,0,0]=4 1299 B8R1.18 CN1NC(=CC1=O)N MCULE-9402016986 [1,1,0,1,0,0|1,0,0]=4 1300 B8R1.18 CN1NC(=O)C=C1N MCULE-9124998543 [1,1,0,1,0,0|1,0,0]=4 1301 B8R1.18 CN1OC(=CC1=O)N MCULE-9415679355 [1,1,0,1,0,0|0,1,0]=4 1302 B8R1.18 CN1OC(=O)C=C1N MCULE-3196224067 [1,1,0,1,0,0|1,0,0]=4 1303 B8R1.18 CN1SC(=CC1=O)Cl MCULE-2114948755 [1,1,0,1,0,0|0,0,0]=3 1304 B8R1.18 CN1SC(=CC1=O)Cl MCULE-8725009755 [1,1,0,1,0,0|0,0,0]=3 1305 B8R1.18 O=C1C=C(C(N1)O)Br MCULE-4783191833 [1,1,0,1,0,0|1,0,0]=4 1306 B8R1.19 CC1(CC=CC1=O)C MCULE-5478168383 [1,1,0,1,0,0|1,0,0]=4 1307 B8R1.8 CNCC1=CSC=C1 MCULE-4022310658 [1,1,0,1,0,0|1,0,0]=4 1308 B8R1.8 CNCC1=CSC=C1 MCULE-8713116313 [1,1,0,1,0,0|1,0,0]=4 1309 B8R1.11 CC1=C(C=CS1)C=O MCULE-6448646967 [1,1,0,1,0,0|1,0,0]=4 1310 B8R1.11 CN1C=CC=C1C=O MCULE-6257317045 [1,1,0,1,0,0|0,0,1]=4 1311 B8R1.11 CN1N=CC=C1C=O MCULE-9719887404 [1,1,0,1,0,0|1,0,0]=4 1312 B8R1.11 CNC1=C(C=CS1)N MCULE-5988461747 [1,1,0,1,0,0|1,0,0]=4 1313 B10R1.8 CCC1=CC(=O)NC(=N1)C MCULE-9980756665 [0,2,0,1,0,0|1,0,0]=4 1314 B10R1.11 CCNC(=O)C1=CSC=C1 MCULE-7188067830 [0,2,0,1,0,0|0,0,1]=4 1315 B10R1.25 CSC1=NNC(=O)NC1=O MCULE-9991928243 [0,2,0,1,0,0|1,0,0]=4 1316 B10R1.137 CCOC(=O)C=C1CSC1 MCULE-4527503645 [0,2,0,1,0,0|1,0,0]=4 1317 B10R1.257 CCN1C(=CC=C1C=O)C MCULE-3556747192 [0,2,0,1,0,0|1,0,0]=4 1318 B10R1.14 CC1=CC(=CS1)C(=O)NN MCULE-7889560774 [0,2,0,1,0,0|1,0,0]=4 1319 B10R1.14 CC1=NC(=CS1)C(=O)NN MCULE-2619551984 [0,2,0,1,0,0|1,0,0]=4 1320 B10R1.14 CNC(=O)C1=CN(C=N1)C MCULE-9024478586 [0,2,0,1,0,0|1,0,0]=4 1321 B10R1.14 CNC(=O)C1=CN(N=C1)C MCULE-9828300089 [0,2,0,1,0,0|1,0,0]=4 1322 B10R1.14 CNC(=O)C1=CN(N=N1)C MCULE-2696883253 [0,2,0,1,0,0|1,0,0]=4 1323 B10R1.14 CNC(=O)C1=CN=C(S1)C MCULE-5069980202 [0,2,0,1,0,0|1,0,0]=4 1324 B10R1.14 CNC(=O)C1=COC(=N1)C MCULE-4939219365 [0,2,0,1,0,0|0,1,0]=4 1325 B10R1.14 CNC(=O)C1=CSC(=N1)Br MCULE-6063109038 [0,2,0,1,0,0|0,0,1]=4 1326 B10R1.14 CNC(=O)C1=CSC(=N1)N MCULE-3629468945 [0,2,0,1,0,0|0,0,1]=4 1327 B10R1.14 CNC(=O)C1=NN(C=C1)C MCULE-2079668699 [0,2,0,1,0,0|1,0,0]=4 1328 B10R1.14 CNC(=O)C1=NNC(=C1)C MCULE-8975101384 [0,2,0,1,0,0|1,0,0]=4 1329 B10R1.14 CNC(=O)C1=NOC(=C1)C MCULE-4695082539 [0,2,0,1,0,0|1,0,0]=4 1330 B10R1.14 COC(=O)C1=CSC(=C1)C MCULE-6679552373 [0,2,0,1,0,0|1,0,0]=4 1331 B10R1.14 COC(=O)C1=CSC(=N1)C MCULE-5904766165 [0,2,0,1,0,0|1,0,0]=4 1332 B10R1.15 CNC(=O)C1CC=CCC1 MCULE-7109143487 [0,2,0,1,0,0|1,0,0]=4 1333 B10R1.30 CCC1=CC(=O)NN=C1C MCULE-1640719920 [0,2,0,1,0,0|1,0,0]=4 1334 B10R1.30 CSC1=NC(=O)NN=C1C MCULE-5460846782 [0,2,0,1,0,0|1,0,0]=4 1335 B10R1.34 CNC1=CC(=O)N(C1=O)C MCULE-3043993856 [0,2,0,1,0,0|1,0,0]=4 1336 B10R1.35 CCC1=NN(C(=C1)C=O)C MCULE-5850434017 [0,2,0,1,0,0|1,0,0]=4 1337 B10R1.94 CCOC1=C(C(=O)NC1)C MCULE-2462183103 [0,2,0,1,0,0|0,1,0]=4 1338 B10R1.119 CC1=C(C=CC(=O)N1C)Br MCULE-1434092411 [0,2,0,1,0,0|1,0,0]=4 1339 B10R1.119 CC1=CC=C(C(=O)N1C)Br MCULE-7217484539 [0,2,0,1,0,0|1,0,0]=4 1340 B10R1.119 CC1=CC=C(C(=O)N1C)N MCULE-2787251761 [0,2,0,1,0,0|1,0,0]=4 1341 B10R1.119 CN1C=CC(=O)N(C1=O)C MCULE-4521148024 [0,2,0,1,0,0|1,0,0]=4 1342 B10R1.176 CCC1=CC(=O)N(C=C1)C MCULE-6340104229 [0,2,0,1,0,0|1,0,0]=4 1343 B10R1.176 CN1C=C(C=CC1=O)CBr MCULE-4425743690 [0,2,0,1,0,0|1,0,0]=4 1344 B10R1.176 CN1C=C(C=CC1=O)CN MCULE-3090362816 [0,2,0,1,0,0|1,0,0]=4 1345 B10R1.176 CN1C=C(C=CC1=O)CN MCULE-5810366395 [0,2,0,1,0,0|1,0,0]=4 1346 B10R1.176 CN1C=C(C=CC1=O)CO MCULE-2358953805 [0,2,0,1,0,0|1,0,0]=4 1347 B10R1.176 CNC1=CC(=O)N(C=N1)C MCULE-7829933153 [0,2,0,1,0,0|1,0,0]=4 1348 B10R1.176 CNC1=CN(C(=O)C=C1)C MCULE-1060861449 [0,2,0,1,0,0|1,0,0]=4 1349 B10R1.176 COC1=CC(=O)N(C=C1)C MCULE-7800672301 [0,2,0,1,0,0|0,1,0]=4 1350 B10R1.176 COC1=CC(=O)N(C=N1)C MCULE-9823880833 [0,2,0,1,0,0|0,1,0]=4 1351 B10R1.176 COC1=NN(C(=O)C=C1)C MCULE-9551856107 [0,2,0,1,0,0|0,1,0]=4 1352 B10R1.22 CC1=C(C(=CC(=O)N1)O)C MCULE-3546454146 [0,2,0,1,0,0|1,0,0]=4 1353 B10R1.22 CC1=CC(=CC(=O)N1C)Br MCULE-2419605407 [0,2,0,1,0,0|1,0,0]=4 1354 B10R1.22 CC1=CC(=CC(=O)N1C)N MCULE-6900068112 [0,2,0,1,0,0|1,0,0]=4 1355 B10R1.22 CC1=CC(=CC(=O)N1C)O MCULE-9863145215 [0,2,0,1,0,0|1,0,0]=4 1356 B10R1.22 CC1=CC(=O)NC(=O)N1C MCULE-4776814426 [0,2,0,1,0,0|1,0,0]=4 1357 B10R1.22 CC1=CN(C(=O)C(=C1)Br)C MCULE-1108980969 [0,2,0,1,0,0|1,0,0]=4 1358 B10R1.22 CC1=CN(C(=O)C(=C1)C)C MCULE-3598278078 [0,2,0,1,0,0|1,0,0]=4 1359 B10R1.131 CN1NC(=CC1=O)CCN MCULE-1252610744 [0,2,0,1,0,0|1,0,0]=4 1360 B10R1.149 CC1=C(C=CS1)C(=O)NN MCULE-5065640034 [0,2,0,1,0,0|1,0,0]=4 1361 B10R1.149 CCC(=O)C1=C(SC=C1)C MCULE-4360674553 [0,2,0,1,0,0|1,0,0]=4 1362 B10R1.149 CNC(=O)C1=C(C=CS1)C MCULE-6740199233 [0,2,0,1,0,0|1,0,0]=4 1363 B10R1.149 CNC(=O)C1=C(SC=C1)N MCULE-8814288988 [0,2,0,1,0,0|0,0,1]=4 1364 B10R1.149 CNC(=O)C1=C(SN=N1)Br MCULE-4255619972 [0,2,0,1,0,0|1,0,0]=4 1365 B10R1.149 CNC(=O)C1=C(SN=N1)Cl MCULE-7754126433 [0,2,0,1,0,0|1,0,0]=4 1366 B10R1.149 CNC(=O)C1=CC=CN1C MCULE-2641759476 [0,2,0,1,0,0|1,0,0]=4 1367 B10R1.149 CNC(=O)C1=CSC=C1Br MCULE-7201405005 [0,2,0,1,0,0|0,0,1]=4 1368 B10R1.149 COC(=O)C1=C(SC=C1)C MCULE-2457772039 [0,2,0,1,0,0|1,0,0]=4 1369 B10R1.149 COC(=O)C1=C(SC=N1)C MCULE-6551551046 [0,2,0,1,0,0|1,0,0]=4 1370 B10R1.149 COC(=O)C1=CSC=C1C MCULE-7554681302 [0,2,0,1,0,0|1,0,0]=4 1371 B10R1.149 COC(=O)C1=CSN=C1C MCULE-1339831175 [0,2,0,1,0,0|1,0,0]=4 1372 B10R1.256 CC1=CC(=C(N1C)C=O)C MCULE-7546387944 [0,2,0,1,0,0|1,0,0]=4 1373 B10R1.2 CN1C(=O)C=CC=C1CO MCULE-9117599319 [0,2,0,1,0,0|1,0,0]=4 1374 B10R1.2 CSC1=NC=CC(=O)N1C MCULE-6690405237 [0,2,0,1,0,0|0,0,0]=3 1375 B10R1.2 CSC1=NN=CC(=O)N1N MCULE-7054146161 [0,2,0,1,0,0|1,0,0]=4 1376 B10R1.44 CNC1=C(C(=O)C1=O)OC MCULE-4372307142 [0,2,0,1,0,0|0,1,0]=4 1377 B10R1.44 CSC1=C(C(=O)C1=O)SC MCULE-8827066008 [0,2,0,1,0,0|1,0,0]=4 1378 B10R1.118 CC1=C(NC(=O)C(=C1)Br)C MCULE-9337338188 [0,2,0,1,0,0|1,0,0]=4 1379 B10R1.118 CC1=C(NC(=O)C(=C1)N)C MCULE-8346394760 [0,2,0,1,0,0|1,0,0]=4 1380 B10R1.118 CC1=NN(C(=O)C=C1O)C MCULE-1049697981 [0,2,0,1,0,0|1,0,0]=4 1381 B10R1.172 CNC1=CC(=CC=C1)SC MCULE-4228206642 [0,2,0,1,0,0|1,0,0]=4 1382 B10R1.172 CNC1=CC(=CC=C1)SC MCULE-9094534039 [0,2,0,1,0,0|1,0,0]=4 1383 B10R1.23 CN(C)C(=O)C1=CSC=C1 MCULE-7224011521 [0,2,0,1,0,0|0,0,1]=4 1384 B10R1.23 CN(C)C(=O)C1=CSC=N1 MCULE-1775143038 [0,2,0,1,0,0|0,0,1]=4 1385 B10R1.23 CN(C)C(=O)C1=CSN=N1 MCULE-9009072633 [0,2,0,1,0,0|1,0,0]=4 1386 B10R1.194 CC1=CC=C(N1C)C(=O)O MCULE-9663070303 [0,2,0,1,0,0|1,0,0]=4 1387 B10R1.258 CSC1=CN=C(N1C)SC MCULE-7861459803 [0,2,0,1,0,0|0,1,0]=4 1388 B10R1.258 CSC1=NC=C(N1C)CN MCULE-7369704283 [0,2,0,1,0,0|1,0,0]=4 1389 B10R1.258 CSC1=NC=C(N1C)CN MCULE-8170084362 [0,2,0,1,0,0|1,0,0]=4 1390 B10R1.258 CSC1=NC=C(N1C)CO MCULE-6841077050 [0,2,0,1,0,0|0,0,1]=4 1391 B10R1.31 CSC1=CNC(=C1)C(=O)O MCULE-1443964625 [0,2,0,1,0,0|0,0,1]=4 1392 B10R1.153 CNC(=O)C=CCC1CC1 MCULE-5121846406 [0,2,0,1,0,0|1,0,0]=4 1393 B10R1.3 CNC1=CC=C(C=C1)SC MCULE-7015565923 [0,2,0,1,0,0|1,0,0]=4 1394 B10R2.32 O=C1NCC2=C1C=CS2 MCULE-6798489257 [0,1,0,2,0,0|0,0,1]=4