0 B7R0.3 C#CCNC(=O)CBr MCULE-4982494323 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 C#CCNC(=O)CC MCULE-2258533582 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.3 C#CCNC(=O)CCl MCULE-8014837574 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 C#CCNC(=O)CI MCULE-1660068128 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.3 C#CCNC(=O)CN MCULE-4492178837 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.3 C#CCNC(=O)CN MCULE-7672614770 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.3 C#CCOC(=O)C=C MCULE-7867773841 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.3 C#CCOC(=O)CC MCULE-9368945481 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.3 C#CCOC(=O)OC MCULE-7912235498 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.3 C=C(CC)CCCC MCULE-5118701402 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.3 C=C(CCl)OCOC MCULE-3049043061 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.3 C=CC(=C)CCCO MCULE-3558306961 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.3 C=CC(=O)CCCCl MCULE-7188402172 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.3 C=CC(=O)NCCC MCULE-5704500398 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.3 C=CC(=O)NCCN MCULE-5552021639 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.3 C=CC(=O)NCCN MCULE-6417335153 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.3 C=CC(=O)NCCO MCULE-2036150536 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.3 C=CC(=O)OCCBr MCULE-3258133915 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.3 C=CC(=O)OCCC MCULE-5292603407 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.3 C=CC(=O)OCCCl MCULE-6902160724 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.3 C=CC(=O)OCCF MCULE-6798260659 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.3 C=CC(=O)OCCN MCULE-9056583453 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.3 C=CC(=O)OCCO MCULE-3147939665 [0,0,0,0,0,0|1,0,1]=2 23 B7R0.3 C=CCCC(=O)CBr MCULE-8443541398 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.3 C=CCCC(=O)CC MCULE-7933484898 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.3 C=CCCC(=O)CCl MCULE-4669619111 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.3 C=CCCC(=O)NN MCULE-1170308182 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.3 C=CCNC(=O)CBr MCULE-5894560132 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.3 C=CCNC(=O)CCl MCULE-4830676670 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.3 C=CCNC(=O)CN MCULE-8221456161 [0,0,0,0,0,0|2,0,1]=3 30 B7R0.3 C=CCNC(=O)CN MCULE-9764331326 [0,0,0,0,0,0|2,0,1]=3 31 B7R0.3 C=CCNC(=O)CO MCULE-1240234665 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.3 C=CCNC(=O)CS MCULE-1040670812 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.3 C=CCOC(=O)C=C MCULE-8478082091 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.3 C=CCOC(=O)CBr MCULE-1915528510 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.3 C=CCOC(=O)CCl MCULE-4722834512 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.3 C=CCOC(=O)CI MCULE-1155914135 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.3 C=CCOC(=O)CN MCULE-2053601318 [0,0,0,0,0,0|1,0,1]=2 38 B7R0.3 C=CCOC(=O)CN MCULE-8513191813 [0,0,0,0,0,0|1,0,1]=2 39 B7R0.3 C=CCOC(=O)CS MCULE-3191036289 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.3 C=CCOC(=O)OC MCULE-9416609870 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.3 C=CCOC(C)CN MCULE-7634569955 [0,0,0,0,0,0|2,0,2]=4 42 B7R0.3 C=CCO[C@@H](C)CN MCULE-4623222070 [0,0,0,0,0,0|2,0,2]=4 43 B7R0.3 CC(CBr)OCCBr MCULE-2889401501 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.3 CC(CCCO)NN MCULE-8201748999 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.3 CC(CN)CCCN MCULE-1249275042 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.3 CC(CN)CCCO MCULE-2908684674 [0,0,0,0,0,0|2,0,1]=3 47 B7R0.3 CC(CN)CCCO MCULE-5608783947 [0,0,0,0,0,0|2,0,1]=3 48 B7R0.3 CC(CN)CCCO MCULE-9269954426 [0,0,0,0,0,0|2,0,1]=3 49 B7R0.3 CC(CO)CCCO MCULE-8589885622 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.3 CC(CO)NCCO MCULE-5180763491 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.3 CCC(=O)CCCBr MCULE-3298679210 [0,0,0,0,0,0|3,0,0]=3 52 B7R0.3 CCC(=O)CCCCl MCULE-3397599793 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.3 CCC(=O)NCCN MCULE-3384406070 [0,0,0,0,0,0|3,0,0]=3 54 B7R0.3 CCC(=O)NCCN MCULE-3992696592 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.3 CCC(=O)NCCN MCULE-4556462042 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.3 CCC(=O)NCCO MCULE-7351790148 [0,0,0,0,0,0|2,0,0]=2 57 B7R0.3 CCC(=O)OCCCl MCULE-7825392065 [0,0,0,0,0,0|2,0,0]=2 58 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [0,0,0,0,0,0|1,0,0]=1 59 B7R0.3 CCC(=O)OCOC MCULE-8101176829 [0,0,0,0,0,0|3,0,0]=3 60 B7R0.3 CCC(C)CCCO MCULE-2323419626 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.3 CCC(C)NCCO MCULE-1340916666 [0,0,0,0,0,0|3,0,1]=4 62 B7R0.3 CCC(N)CCCO MCULE-3868205501 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.3 CCC(O)CCCO MCULE-1099760826 [0,0,0,0,0,0|2,0,2]=4 64 B7R0.3 CCCC=C(C)CC MCULE-4699949699 [0,0,0,0,0,0|4,0,0]=4 65 B7R0.3 CCCCC(=O)CBr MCULE-5866288227 [0,0,0,0,0,0|3,0,0]=3 66 B7R0.3 CCCCC(=O)CC MCULE-7758340382 [0,0,0,0,0,0|3,0,0]=3 67 B7R0.3 CCCCC(=O)CCl MCULE-9673190063 [0,0,0,0,0,0|3,0,0]=3 68 B7R0.3 CCCCC(=O)NC MCULE-6810865419 [0,0,0,0,0,0|4,0,0]=4 69 B7R0.3 CCCCC(=O)NN MCULE-9535710488 [0,0,0,0,0,0|3,0,0]=3 70 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [0,0,0,0,0,0|4,0,0]=4 71 B7R0.3 CCCCC(N)CN MCULE-2038464943 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.3 CCCCC(O)CN MCULE-1383380728 [0,0,0,0,0,0|2,0,2]=4 73 B7R0.3 CCCNC(=O)CBr MCULE-3357000060 [0,0,0,0,0,0|3,0,0]=3 74 B7R0.3 CCCNC(=O)CCl MCULE-3171078913 [0,0,0,0,0,0|3,0,0]=3 75 B7R0.3 CCCNC(=O)CN MCULE-2964958967 [0,0,0,0,0,0|2,0,0]=2 76 B7R0.3 CCCNC(=O)CN MCULE-4880764199 [0,0,0,0,0,0|2,0,0]=2 77 B7R0.3 CCCNC(=O)NN MCULE-9369722445 [0,0,0,0,0,0|3,0,0]=3 78 B7R0.3 CCCNC(=S)NN MCULE-3677693813 [0,0,0,0,0,0|3,1,0]=4 79 B7R0.3 CCCOC(=O)CBr MCULE-9392658897 [0,0,0,0,0,0|2,0,0]=2 80 B7R0.3 CCCOC(=O)CC MCULE-2749425161 [0,0,0,0,0,0|2,0,0]=2 81 B7R0.3 CCCOC(=O)CCl MCULE-4900509903 [0,0,0,0,0,0|2,0,0]=2 82 B7R0.3 CCCOC(=O)CN MCULE-5016724090 [0,0,0,0,0,0|1,0,0]=1 83 B7R0.3 CCCOC(=O)CN MCULE-9899563764 [0,0,0,0,0,0|1,0,0]=1 84 B7R0.3 CCCOC(=O)CS MCULE-7918412380 [0,0,0,0,0,0|2,0,0]=2 85 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [0,0,0,0,0,0|3,0,0]=3 86 B7R0.3 CCCOC(C)CN MCULE-2816840734 [0,0,0,0,0,0|2,0,1]=3 87 B7R0.3 CCCOC(C)CN MCULE-6461157704 [0,0,0,0,0,0|2,0,1]=3 88 B7R0.3 CCN(C)CCCO MCULE-9090885474 [0,0,0,0,0,0|4,0,0]=4 89 B7R0.3 CCOCC(=O)CCl MCULE-3495077500 [0,0,0,0,0,0|4,0,0]=4 90 B7R0.3 CCOCC(=O)NN MCULE-1157330147 [0,0,0,0,0,0|4,0,0]=4 91 B7R0.3 CCOCC(=O)NN MCULE-3371253482 [0,0,0,0,0,0|4,0,0]=4 92 B7R0.3 CCONC(=O)CN MCULE-8014418978 [0,0,0,0,0,0|3,0,0]=3 93 B7R0.3 CCONC(=O)CN MCULE-9229677559 [0,0,0,0,0,0|3,0,0]=3 94 B7R0.3 CCSCC(=O)NN MCULE-2532030709 [0,0,0,0,0,0|4,0,0]=4 95 B7R0.3 CC[C@H](C)CCCO MCULE-1760153718 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.3 CC[C@H](C)CCCO MCULE-3488695651 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.3 CNC(=O)CCCCl MCULE-9460684794 [0,0,0,0,0,0|4,0,0]=4 98 B7R0.3 CNC(=O)CCCN MCULE-4766031038 [0,0,0,0,0,0|4,0,0]=4 99 B7R0.3 CNC(=O)CCCN MCULE-8992476653 [0,0,0,0,0,0|4,0,0]=4 100 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [0,0,0,0,0,0|3,0,0]=3 101 B7R0.3 CNC(=O)NCCN MCULE-4075769099 [0,0,0,0,0,0|4,0,0]=4 102 B7R0.3 CNC(=O)NCCN MCULE-9668937902 [0,0,0,0,0,0|4,0,0]=4 103 B7R0.3 CNC(=O)NCCO MCULE-7936045962 [0,0,0,0,0,0|3,0,0]=3 104 B7R0.3 CNC(=O)OCCCl MCULE-9946450406 [0,0,0,0,0,0|3,0,0]=3 105 B7R0.3 CNC(=O)OCCO MCULE-7181085118 [0,0,0,0,0,0|2,0,0]=2 106 B7R0.3 COC(=O)C#CCO MCULE-5683806193 [0,0,0,0,0,0|3,0,1]=4 107 B7R0.3 COC(=O)CCCBr MCULE-3856139347 [0,0,0,0,0,0|4,0,0]=4 108 B7R0.3 COC(=O)CCCCl MCULE-9725150748 [0,0,0,0,0,0|4,0,0]=4 109 B7R0.3 COC(=O)CCCI MCULE-6607823615 [0,0,0,0,0,0|4,0,0]=4 110 B7R0.3 COC(=O)CCCN MCULE-2399653885 [0,0,0,0,0,0|4,0,0]=4 111 B7R0.3 COC(=O)CCCN MCULE-7745643244 [0,0,0,0,0,0|4,0,0]=4 112 B7R0.3 COC(=O)CCCO MCULE-6149839873 [0,0,0,0,0,0|3,0,0]=3 113 B7R0.3 COC(=O)CCCS MCULE-6897052882 [0,0,0,0,0,0|3,1,0]=4 114 B7R0.3 COC(=O)NCCN MCULE-4816806580 [0,0,0,0,0,0|4,0,0]=4 115 B7R0.3 COC(=O)NCCN MCULE-9765640123 [0,0,0,0,0,0|4,0,0]=4 116 B7R0.3 COC(=O)NCCO MCULE-7141835204 [0,0,0,0,0,0|3,0,0]=3 117 B7R0.3 COCCC(=O)CCl MCULE-2918704994 [0,0,0,0,0,0|4,0,0]=4 118 B7R0.3 COCCC(=O)NN MCULE-6895114863 [0,0,0,0,0,0|4,0,0]=4 119 B7R0.3 C[C@@H](CN)CCCO MCULE-2859776250 [0,0,0,0,0,0|2,0,1]=3 120 B7R0.3 C[C@@H](CN)CCCO MCULE-3245433953 [0,0,0,0,0,0|2,0,1]=3 121 B7R0.3 C[C@@H](CN)CCCO MCULE-7698870351 [0,0,0,0,0,0|2,0,1]=3 122 B7R0.3 C[C@@H](CN)CCCO MCULE-9900676606 [0,0,0,0,0,0|2,0,1]=3 123 B7R0.3 N#CCNC(=O)CCl MCULE-3245517796 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.3 N#CCNC(=O)CN MCULE-1672566609 [0,0,0,0,0,0|2,0,1]=3 125 B7R0.3 N#CCNC(=O)CN MCULE-7737504322 [0,0,0,0,0,0|2,0,1]=3 126 B7R0.3 NCC(=O)NCCF MCULE-1969796129 [0,0,0,0,0,0|2,0,0]=2 127 B7R0.3 NCC(=O)NCCF MCULE-9924478230 [0,0,0,0,0,0|2,0,0]=2 128 B7R0.3 NCC(=O)NCCO MCULE-3809178129 [0,0,0,0,0,0|1,0,0]=1 129 B7R0.3 NCC(=O)NCCO MCULE-7057019123 [0,0,0,0,0,0|1,0,0]=1 130 B7R0.3 NCC(=O)OCCCl MCULE-7924059164 [0,0,0,0,0,0|1,0,0]=1 131 B7R0.3 NCC(=O)OCCCl MCULE-9260214783 [0,0,0,0,0,0|1,0,0]=1 132 B7R0.3 NCC(Cl)CCCCl MCULE-1250767606 [0,0,0,0,0,0|3,0,1]=4 133 B7R0.3 NCC(Cl)CCCCl MCULE-1634382406 [0,0,0,0,0,0|3,0,1]=4 134 B7R0.3 NCCNC(=O)CCl MCULE-6059411085 [0,0,0,0,0,0|3,0,0]=3 135 B7R0.3 NCCNC(=O)CCl MCULE-7545329795 [0,0,0,0,0,0|3,0,0]=3 136 B7R0.3 NNC(=O)CCCCl MCULE-9370062145 [0,0,0,0,0,0|3,0,0]=3 137 B7R0.3 NNC(=O)CCCO MCULE-4131007358 [0,0,0,0,0,0|2,0,0]=2 138 B7R0.3 NNC(=O)OCCCl MCULE-1796161427 [0,0,0,0,0,0|2,0,0]=2 139 B7R0.3 NNC(=O)OCCCl MCULE-3977269565 [0,0,0,0,0,0|2,0,0]=2 140 B7R0.3 NNC(=O)OCCO MCULE-9375766063 [0,0,0,0,0,0|1,0,0]=1 141 B7R0.3 O=C(CCl)/N=C/NO MCULE-8588086105 [0,0,0,0,0,0|3,0,1]=4 142 B7R0.3 O=C(CCl)CCCCl MCULE-2362491395 [0,0,0,0,0,0|3,0,0]=3 143 B7R0.3 O=C(CCl)NCCCl MCULE-2029189763 [0,0,0,0,0,0|3,0,0]=3 144 B7R0.3 O=C(CCl)NCCO MCULE-2803332455 [0,0,0,0,0,0|2,0,0]=2 145 B7R0.3 O=C(CCl)OCCCl MCULE-7706105725 [0,0,0,0,0,0|2,0,0]=2 146 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [0,0,0,0,0,0|2,0,0]=2 147 B7R0.3 OCCCC(O)CO MCULE-3529953491 [0,0,0,0,0,0|2,0,2]=4 148 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.1 C#CC(=O)NCC MCULE-3703208943 [1,0,0,0,0,0|2,0,1]=4 150 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [1,0,0,0,0,0|1,0,1]=3 151 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [1,0,0,0,0,0|2,0,1]=4 152 B6R0.1 C=C(CC)CCO MCULE-5317656776 [1,0,0,0,0,0|2,0,0]=3 153 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.1 C=CC(=O)NCO MCULE-3627112877 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [1,0,0,0,0,0|1,0,1]=3 157 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [1,0,0,0,0,0|1,0,1]=3 158 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [1,0,0,0,0,0|1,0,1]=3 159 B6R0.1 C=COC(=O)CC MCULE-7662621547 [1,0,0,0,0,0|1,0,2]=4 160 B6R0.1 C=COC(=O)CCl MCULE-7675766105 [1,0,0,0,0,0|1,0,2]=4 161 B6R0.1 CC#CC(=O)NN MCULE-2475728417 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.1 CC(CN)CCN MCULE-2719332037 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.1 CC(CN)CCN MCULE-4200375624 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.1 CC(CN)CCO MCULE-5515163518 [1,0,0,0,0,0|1,0,1]=3 165 B6R0.1 CC(CO)CCO MCULE-5240961149 [1,0,0,0,0,0|2,0,1]=4 166 B6R0.1 CC(CO)CCO MCULE-8678967805 [1,0,0,0,0,0|2,0,1]=4 167 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.1 CCC(=CCO)C MCULE-5264054153 [1,0,0,0,0,0|2,0,1]=4 169 B6R0.1 CCC(=O)CC#N MCULE-6150629588 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.1 CCC(=O)CNC MCULE-3030105640 [1,0,0,0,0,0|3,0,0]=4 171 B6R0.1 CCC(=O)CNC MCULE-6945295017 [1,0,0,0,0,0|3,0,0]=4 172 B6R0.1 CCC(=O)COC MCULE-1087802011 [1,0,0,0,0,0|3,0,0]=4 173 B6R0.1 CCC(=O)CSC MCULE-3230433182 [1,0,0,0,0,0|3,0,0]=4 174 B6R0.1 CCC(=O)NOC MCULE-4440074406 [1,0,0,0,0,0|3,0,0]=4 175 B6R0.1 CCC(=O)OCCl MCULE-6975707373 [1,0,0,0,0,0|2,0,0]=3 176 B6R0.1 CCC(C)CCO MCULE-6482427735 [1,0,0,0,0,0|2,0,1]=4 177 B6R0.1 CCC(N)CCO MCULE-1511155206 [1,0,0,0,0,0|2,0,1]=4 178 B6R0.1 CCC(N)CCO MCULE-5525302643 [1,0,0,0,0,0|2,0,1]=4 179 B6R0.1 CCC(O)CCO MCULE-5156075792 [1,0,0,0,0,0|1,0,2]=4 180 B6R0.1 CCC(S)CCO MCULE-4193788852 [1,0,0,0,0,0|1,1,1]=4 181 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [1,0,0,0,0,0|2,0,0]=3 182 B6R0.1 CCCC(=O)CC MCULE-7121523805 [1,0,0,0,0,0|2,0,0]=3 183 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [1,0,0,0,0,0|2,0,0]=3 184 B6R0.1 CCCC(=O)CN MCULE-4663263123 [1,0,0,0,0,0|1,0,0]=2 185 B6R0.1 CCCC(=O)CN MCULE-6326368932 [1,0,0,0,0,0|1,0,0]=2 186 B6R0.1 CCCC(=O)CO MCULE-6518249412 [1,0,0,0,0,0|2,0,0]=3 187 B6R0.1 CCCC(=O)NC MCULE-5770149071 [1,0,0,0,0,0|3,0,0]=4 188 B6R0.1 CCCC(=O)NN MCULE-3660167295 [1,0,0,0,0,0|2,0,0]=3 189 B6R0.1 CCCC(=O)NO MCULE-8710375368 [1,0,0,0,0,0|3,0,0]=4 190 B6R0.1 CCCC(=O)OC MCULE-1092030267 [1,0,0,0,0,0|3,0,0]=4 191 B6R0.1 CCCC(=O)SC MCULE-1490654381 [1,0,0,0,0,0|3,0,0]=4 192 B6R0.1 CCCC(C)CN MCULE-9552289739 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.1 CCCC(N)CN MCULE-8606218569 [1,0,0,0,0,0|2,0,1]=4 194 B6R0.1 CCCC(O)CN MCULE-9402934997 [1,0,0,0,0,0|1,0,2]=4 195 B6R0.1 CCN(C)CCO MCULE-5519271145 [1,0,0,0,0,0|3,0,0]=4 196 B6R0.1 CCN(N)CCO MCULE-7988723724 [1,0,0,0,0,0|3,0,0]=4 197 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [1,0,0,0,0,0|2,0,0]=3 198 B6R0.1 CCNC(=O)CC MCULE-8820594723 [1,0,0,0,0,0|2,0,0]=3 199 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [1,0,0,0,0,0|2,0,0]=3 200 B6R0.1 CCNC(=O)CN MCULE-1913543460 [1,0,0,0,0,0|1,0,0]=2 201 B6R0.1 CCNC(=O)CN MCULE-5473845751 [1,0,0,0,0,0|1,0,0]=2 202 B6R0.1 CCNC(=O)CO MCULE-1386307800 [1,0,0,0,0,0|2,0,0]=3 203 B6R0.1 CCNC(=O)NC MCULE-7197803115 [1,0,0,0,0,0|3,0,0]=4 204 B6R0.1 CCNC(=O)NN MCULE-9055200574 [1,0,0,0,0,0|2,0,0]=3 205 B6R0.1 CCNC(=O)NO MCULE-3264850022 [1,0,0,0,0,0|3,0,0]=4 206 B6R0.1 CCNC(=O)OC MCULE-7110705188 [1,0,0,0,0,0|3,0,0]=4 207 B6R0.1 CCNC(=S)NN MCULE-9599210899 [1,0,0,0,0,0|2,1,0]=4 208 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [1,0,0,0,0,0|3,0,0]=4 209 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [1,0,0,0,0,0|3,0,0]=4 210 B6R0.1 CCOC(=N)CC MCULE-4645506860 [1,0,0,0,0,0|2,0,0]=3 211 B6R0.1 CCOC(=N)CC MCULE-9526837631 [1,0,0,0,0,0|2,0,0]=3 212 B6R0.1 CCOC(=N)CCl MCULE-6291047852 [1,0,0,0,0,0|2,0,0]=3 213 B6R0.1 CCOC(=N)CCl MCULE-9207251975 [1,0,0,0,0,0|2,0,0]=3 214 B6R0.1 CCOC(=NO)C MCULE-6964305821 [1,0,0,0,0,0|3,0,0]=4 215 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [1,0,0,0,0,0|0,0,2]=3 216 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [1,0,0,0,0,0|1,0,1]=3 217 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [1,0,0,0,0,0|1,0,0]=2 218 B6R0.1 CCOC(=O)CC MCULE-1639864693 [1,0,0,0,0,0|1,0,0]=2 219 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [1,0,0,0,0,0|1,0,0]=2 220 B6R0.1 CCOC(=O)CF MCULE-1926097423 [1,0,0,0,0,0|1,0,0]=2 221 B6R0.1 CCOC(=O)CI MCULE-9898762324 [1,0,0,0,0,0|1,0,0]=2 222 B6R0.1 CCOC(=O)CN MCULE-2185173056 [1,0,0,0,0,0|0,0,0]=1 223 B6R0.1 CCOC(=O)CN MCULE-2628607025 [1,0,0,0,0,0|0,0,0]=1 224 B6R0.1 CCOC(=O)CO MCULE-8121340151 [1,0,0,0,0,0|1,0,0]=2 225 B6R0.1 CCOC(=O)CS MCULE-3354026239 [1,0,0,0,0,0|1,0,0]=2 226 B6R0.1 CCOC(=O)NC MCULE-5506841198 [1,0,0,0,0,0|2,0,0]=3 227 B6R0.1 CCOC(=O)NN MCULE-9872948119 [1,0,0,0,0,0|1,0,0]=2 228 B6R0.1 CCOC(=O)NO MCULE-4701193610 [1,0,0,0,0,0|2,0,0]=3 229 B6R0.1 CCOC(=O)OC MCULE-1185162684 [1,0,0,0,0,0|2,0,0]=3 230 B6R0.1 CCOC(=S)SC MCULE-6959447720 [1,0,0,0,0,0|2,1,0]=4 231 B6R0.1 CCOC(C)CC MCULE-5049998907 [1,0,0,0,0,0|2,0,1]=4 232 B6R0.1 CCOC(C)CN MCULE-2322112215 [1,0,0,0,0,0|1,0,1]=3 233 B6R0.1 CCOC(C)CN MCULE-7307949125 [1,0,0,0,0,0|1,0,1]=3 234 B6R0.1 CCOC(C)CO MCULE-1592146913 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.1 CCOC(Cl)CCl MCULE-2309448343 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.1 CCOS(=O)CC MCULE-4858180441 [1,0,0,0,0,0|2,0,0]=3 237 B6R0.1 CCS(=O)CCCl MCULE-1910591721 [1,0,0,0,0,0|3,0,0]=4 238 B6R0.1 CCS(=O)CCN MCULE-7201812983 [1,0,0,0,0,0|3,0,0]=4 239 B6R0.1 CCS(=O)CCN MCULE-7831905163 [1,0,0,0,0,0|3,0,0]=4 240 B6R0.1 CCS(=O)CCO MCULE-8290368918 [1,0,0,0,0,0|2,0,0]=3 241 B6R0.1 CCSC(=O)CC MCULE-6361738004 [1,0,0,0,0,0|1,1,0]=3 242 B6R0.1 CC[C@H](C)CCO MCULE-1190203828 [1,0,0,0,0,0|2,0,1]=4 243 B6R0.1 CC[C@H](C)CCO MCULE-8460710173 [1,0,0,0,0,0|2,0,1]=4 244 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [1,0,0,0,0,0|3,0,0]=4 245 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [1,0,0,0,0,0|3,0,0]=4 246 B6R0.1 CNC(=O)CCN MCULE-1374127264 [1,0,0,0,0,0|3,0,0]=4 247 B6R0.1 CNC(=O)CCN MCULE-3948893656 [1,0,0,0,0,0|3,0,0]=4 248 B6R0.1 CNC(=O)CCO MCULE-3222339741 [1,0,0,0,0,0|2,0,0]=3 249 B6R0.1 CNC(=O)CCS MCULE-2385806944 [1,0,0,0,0,0|2,1,0]=4 250 B6R0.1 CNCC(=O)NN MCULE-8639164023 [1,0,0,0,0,0|3,0,0]=4 251 B6R0.1 COC(=N)CCO MCULE-1904978557 [1,0,0,0,0,0|3,0,0]=4 252 B6R0.1 COC(=N)CCO MCULE-8146089973 [1,0,0,0,0,0|3,0,0]=4 253 B6R0.1 COC(=O)CCBr MCULE-3565567444 [1,0,0,0,0,0|3,0,0]=4 254 B6R0.1 COC(=O)CCCl MCULE-5034007224 [1,0,0,0,0,0|3,0,0]=4 255 B6R0.1 COC(=O)CCI MCULE-5984806612 [1,0,0,0,0,0|3,0,0]=4 256 B6R0.1 COC(=O)CCN MCULE-2306060188 [1,0,0,0,0,0|3,0,0]=4 257 B6R0.1 COC(=O)CCN MCULE-8245275833 [1,0,0,0,0,0|3,0,0]=4 258 B6R0.1 COC(=O)CCO MCULE-8538834260 [1,0,0,0,0,0|2,0,0]=3 259 B6R0.1 COC(=O)CCS MCULE-1695345183 [1,0,0,0,0,0|2,1,0]=4 260 B6R0.1 COC(=O)OCCl MCULE-7856529986 [1,0,0,0,0,0|3,0,0]=4 261 B6R0.1 COC(=O)OCF MCULE-4705008675 [1,0,0,0,0,0|3,0,0]=4 262 B6R0.1 COC(=O)OCI MCULE-8692720175 [1,0,0,0,0,0|3,0,0]=4 263 B6R0.1 COCC(=O)CCl MCULE-7542636020 [1,0,0,0,0,0|3,0,0]=4 264 B6R0.1 COCC(=O)NN MCULE-4127487886 [1,0,0,0,0,0|3,0,0]=4 265 B6R0.1 CSCC(=O)NN MCULE-8151954663 [1,0,0,0,0,0|3,0,0]=4 266 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [1,0,0,0,0,0|2,0,1]=4 269 B6R0.1 N#CCC(=O)NN MCULE-9203133961 [1,0,0,0,0,0|2,0,1]=4 270 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [1,0,0,0,0,0|3,0,0]=4 271 B6R0.1 NC(CO)CCO MCULE-3703088648 [1,0,0,0,0,0|2,0,1]=4 272 B6R0.1 NC(CO)CCO MCULE-7609576462 [1,0,0,0,0,0|2,0,1]=4 273 B6R0.1 NCC(N)CCO MCULE-2965554481 [1,0,0,0,0,0|1,0,1]=3 274 B6R0.1 NCCC(=O)CN MCULE-3906468943 [1,0,0,0,0,0|1,0,0]=2 275 B6R0.1 NCCC(=O)CN MCULE-9593243702 [1,0,0,0,0,0|1,0,0]=2 276 B6R0.1 NCCC(F)CN MCULE-9478589176 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.1 NCCC(O)CN MCULE-9177974477 [1,0,0,0,0,0|1,0,2]=4 278 B6R0.1 NNC(=O)CCO MCULE-6184351353 [1,0,0,0,0,0|1,0,0]=2 279 B6R0.1 NNC(=O)CCS MCULE-9322963076 [1,0,0,0,0,0|1,1,0]=3 280 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [1,0,0,0,0,0|2,0,1]=4 281 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [1,0,0,0,0,0|2,0,1]=4 283 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [1,0,0,0,0,0|2,0,1]=4 284 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [1,0,0,0,0,0|3,0,0]=4 285 B6R0.1 O=C(CCl)CCCl MCULE-6460902474 [1,0,0,0,0,0|2,0,0]=3 286 B6R0.1 O=C(CCl)NCO MCULE-9960585064 [1,0,0,0,0,0|2,0,0]=3 287 B6R0.1 OCCC(O)CCl MCULE-4752952606 [1,0,0,0,0,0|1,0,2]=4 288 B6R0.1 OCCC(O)CO MCULE-6470178852 [1,0,0,0,0,0|1,0,2]=4 289 B6R0.1 OCC[C@@H](Br)CO MCULE-4859199629 [1,0,0,0,0,0|2,0,1]=4 290 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [1,0,0,0,0,0|1,0,2]=4 291 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [1,0,0,0,0,0|1,0,2]=4 292 B6R0.1 OCC[C@H](O)CBr MCULE-1990035925 [1,0,0,0,0,0|1,0,2]=4 293 B6R0.1 OCC[C@H](O)CCl MCULE-4561806159 [1,0,0,0,0,0|1,0,2]=4 294 B6R0.1 OCC[C@H](O)CCl MCULE-8582759529 [1,0,0,0,0,0|1,0,2]=4 295 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [1,0,0,0,0,0|1,0,2]=4 296 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [1,0,0,0,0,0|1,0,2]=4 297 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,0,0,0,0,0|2,0,1]=4 298 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [1,0,0,0,0,0|2,0,1]=4 299 B6R0.4 C#CCNC(=O)C MCULE-1159984782 [1,0,0,0,0,0|2,0,1]=4 300 B6R0.4 C#CCNC(=O)N MCULE-4499144419 [1,0,0,0,0,0|2,0,1]=4 301 B6R0.4 C#CCOC(=O)C MCULE-5002994323 [1,0,0,0,0,0|1,0,1]=3 302 B6R0.4 C#CCOC(=O)Cl MCULE-5453166266 [1,0,0,0,0,0|2,0,1]=4 303 B6R0.4 C#CCOC(=O)N MCULE-9698208346 [1,0,0,0,0,0|1,0,1]=3 304 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [1,0,0,0,0,0|3,0,0]=4 305 B6R0.4 C=C(C)CCCC MCULE-1010177756 [1,0,0,0,0,0|3,0,0]=4 306 B6R0.4 C=C(C)CCCO MCULE-4629274490 [1,0,0,0,0,0|2,0,0]=3 307 B6R0.4 C=C(F)CCCO MCULE-1688645687 [1,0,0,0,0,0|2,0,1]=4 308 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,0,0,0,0,0|2,0,1]=4 309 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,0,0,0,0,0|2,0,1]=4 310 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [1,0,0,0,0,0|2,0,1]=4 311 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [1,0,0,0,0,0|2,0,1]=4 312 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [1,0,0,0,0,0|1,0,1]=3 313 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [1,0,0,0,0,0|2,0,1]=4 314 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [1,0,0,0,0,0|1,0,1]=3 315 B6R0.4 CC(=CCCBr)C MCULE-9403575147 [1,0,0,0,0,0|3,0,0]=4 316 B6R0.4 CC(=CCCN)C MCULE-9185531904 [1,0,0,0,0,0|3,0,0]=4 317 B6R0.4 CC(=CCCO)C MCULE-2493404466 [1,0,0,0,0,0|2,0,0]=3 318 B6R0.4 CC(=CCCO)C MCULE-8497528596 [1,0,0,0,0,0|2,0,0]=3 319 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,0,0,0,0,0|2,0,1]=4 320 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,0,0,0,0|1,0,2]=4 321 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,0,0,0,0,0|2,0,0]=3 322 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,0,0,0,0,0|2,0,0]=3 323 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,0,0,0,0,0|1,0,0]=2 324 B6R0.4 CC(=O)NCC#N MCULE-2345227602 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,0,0,0,0,0|2,0,0]=3 326 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,0,0,0,0,0|2,0,0]=3 327 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,0,0,0,0,0|1,0,0]=2 328 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,0,0,0,0,0|1,1,0]=3 329 B6R0.4 CC(=O)OCC#N MCULE-4866082576 [1,0,0,0,0,0|1,0,1]=3 330 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,0,0,0,0,0|1,0,0]=2 331 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,0,0,0,0,0|1,0,0]=2 332 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,0,0,0,0,0|1,0,0]=2 333 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,0,0,0,0,0|1,0,0]=2 334 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,0,0,0,0,0|0,0,0]=1 335 B6R0.4 CC(=O)SCC#N MCULE-5864559051 [1,0,0,0,0,0|1,1,1]=4 336 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [1,0,0,0,0,0|1,1,0]=3 337 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,0,0,0,0,0|1,1,0]=3 338 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,0,0,0,0,0|1,1,0]=3 339 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,0,0,0,0,0|1,1,0]=3 340 B6R0.4 CC(C)CCCO MCULE-5797993948 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.4 CC(C)NCCO MCULE-1749029105 [1,0,0,0,0,0|2,0,1]=4 342 B6R0.4 CC(C)OCCBr MCULE-8869065375 [1,0,0,0,0,0|2,0,1]=4 343 B6R0.4 CC(C)OCCCl MCULE-3848763715 [1,0,0,0,0,0|2,0,1]=4 344 B6R0.4 CC(C)OCCI MCULE-8259612531 [1,0,0,0,0,0|2,0,1]=4 345 B6R0.4 CC(C)OCCN MCULE-6140628944 [1,0,0,0,0,0|2,0,1]=4 346 B6R0.4 CC(C)OCCN MCULE-7438591135 [1,0,0,0,0,0|2,0,1]=4 347 B6R0.4 CC(C)OCCN MCULE-7614115649 [1,0,0,0,0,0|2,0,1]=4 348 B6R0.4 CC(C)OCCO MCULE-8766149613 [1,0,0,0,0,0|1,0,1]=3 349 B6R0.4 CC(C)SCCO MCULE-1467015400 [1,0,0,0,0,0|1,1,1]=4 350 B6R0.4 CC(Cl)CCCO MCULE-2554250532 [1,0,0,0,0,0|2,0,1]=4 351 B6R0.4 CC(N)CCCO MCULE-6629535696 [1,0,0,0,0,0|2,0,1]=4 352 B6R0.4 CC(O)CCCO MCULE-6580326052 [1,0,0,0,0,0|1,0,2]=4 353 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [1,0,0,0,0,0|2,0,1]=4 355 B6R0.4 CCCC=C(C)C MCULE-2110588796 [1,0,0,0,0,0|3,0,0]=4 356 B6R0.4 CCCCC(=N)N MCULE-3271993509 [1,0,0,0,0,0|3,0,0]=4 357 B6R0.4 CCCCC(=N)N MCULE-3935017760 [1,0,0,0,0,0|3,0,0]=4 358 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,0,0,0,0,0|3,0,0]=4 359 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,0,0,0,0,0|2,0,0]=3 360 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,0,0,0,0,0|3,0,0]=4 361 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,0,0,0,0,0|2,0,0]=3 362 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,0,0,0,0|3,0,0]=4 363 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,0,0,0,0,0|3,0,0]=4 364 B6R0.4 CCCCC(=S)N MCULE-8236760762 [1,0,0,0,0,0|2,1,0]=4 365 B6R0.4 CCCNC(=N)N MCULE-6381843991 [1,0,0,0,0,0|3,0,0]=4 366 B6R0.4 CCCNC(=N)N MCULE-8286774592 [1,0,0,0,0,0|3,0,0]=4 367 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,0,0,0,0,0|2,0,0]=3 368 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,0,0,0,0,0|3,0,0]=4 369 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,0,0,0,0,0|2,0,0]=3 370 B6R0.4 CCCNC(=S)N MCULE-3142756488 [1,0,0,0,0,0|2,1,0]=4 371 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,0,0,0,0,0|1,0,0]=2 372 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,0,0,0,0,0|2,0,0]=3 373 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,0,0,0,0,0|1,0,0]=2 374 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [1,0,0,0,0,0|2,1,0]=4 375 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [1,0,0,0,0,0|2,1,0]=4 376 B6R0.4 CCCON(=O)=O MCULE-3372904250 [1,0,0,0,0,0|3,0,0]=4 377 B6R0.4 CCCSC(=N)N MCULE-4777505658 [1,0,0,0,0,0|2,1,0]=4 378 B6R0.4 CCCSC(=N)N MCULE-8873393921 [1,0,0,0,0,0|2,1,0]=4 379 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,0,0,0,0,0|1,1,0]=3 380 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,0,0,0,0,0|2,1,0]=4 381 B6R0.4 CCCSC(=[NH2+])N MCULE-6759252204 [1,0,0,0,0,0|2,1,0]=4 382 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,0,0,0,0,0|3,0,0]=4 383 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,0,0,0,0,0|3,0,0]=4 384 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,0,0,0,0,0|3,0,0]=4 385 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,0,0,0,0,0|3,0,0]=4 386 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,0,0,0,0,0|3,0,0]=4 387 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,0,0,0,0,0|3,0,0]=4 388 B6R0.4 CN(C)CCCO MCULE-7408728427 [1,0,0,0,0,0|3,0,0]=4 389 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,0,0,0,0,0|3,0,0]=4 390 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,0,0,0,0,0|3,0,0]=4 391 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,0,0,0,0,0|3,0,0]=4 392 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,0,0,0,0,0|3,0,0]=4 393 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,0,0,0,0,0|3,0,0]=4 394 B6R0.4 COCOC(=O)C MCULE-8876091916 [1,0,0,0,0,0|2,0,0]=3 395 B6R0.4 CS(=O)CCCN MCULE-1124989526 [1,0,0,0,0,0|3,0,0]=4 396 B6R0.4 CS(=O)CCCN MCULE-8758903495 [1,0,0,0,0,0|3,0,0]=4 397 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,0,0,0,0,0|3,0,0]=4 398 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,0,0,0,0,0|3,0,0]=4 399 B6R0.4 CSCOC(=O)C MCULE-1498769347 [1,0,0,0,0,0|2,0,0]=3 400 B6R0.4 C[C@@H](N)CCCO MCULE-8313291415 [1,0,0,0,0,0|2,0,1]=4 401 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [1,0,0,0,0,0|1,0,2]=4 402 B6R0.4 N#CCNC(=O)N MCULE-9927791118 [1,0,0,0,0,0|2,0,1]=4 403 B6R0.4 N=C(N)NCCO MCULE-5114367892 [1,0,0,0,0,0|2,0,0]=3 404 B6R0.4 N=C(N)NCCO MCULE-6389092248 [1,0,0,0,0,0|2,0,0]=3 405 B6R0.4 N=C(N)NCCS MCULE-1108122235 [1,0,0,0,0,0|2,1,0]=4 406 B6R0.4 N=C(N)NCCS MCULE-1842583721 [1,0,0,0,0,0|2,1,0]=4 407 B6R0.4 N=C(N)NCCS MCULE-4497722042 [1,0,0,0,0,0|2,1,0]=4 408 B6R0.4 N=C(N)NCCS MCULE-6123443321 [1,0,0,0,0,0|2,1,0]=4 409 B6R0.4 N=C(N)SCCN MCULE-1482556327 [1,0,0,0,0,0|2,1,0]=4 410 B6R0.4 N=C(N)SCCO MCULE-5563309692 [1,0,0,0,0,0|1,1,0]=3 411 B6R0.4 N=C(N)SCCO MCULE-5671847690 [1,0,0,0,0,0|1,1,0]=3 412 B6R0.4 NC(=NCCO)N MCULE-5043697998 [1,0,0,0,0,0|2,0,0]=3 413 B6R0.4 NC(=NCCS)N MCULE-4111802244 [1,0,0,0,0,0|2,1,0]=4 414 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,0,0,0,0,0|2,0,0]=3 415 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,0,0,0,0,0|1,0,0]=2 416 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,0,0,0,0,0|2,0,0]=3 417 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,0,0,0,0,0|2,0,0]=3 418 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,0,0,0,0,0|1,0,0]=2 419 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,0,0,0,0,0|1,0,0]=2 420 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,0,0,0,0,0|0,0,0]=1 421 B6R0.4 NC(=S)CCCO MCULE-8951145487 [1,0,0,0,0,0|1,1,0]=3 422 B6R0.4 NC(=S)NCCO MCULE-9343742573 [1,0,0,0,0,0|1,1,0]=3 423 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,0,0,0,0,0|3,0,0]=4 424 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,0,0,0,0,0|3,0,0]=4 425 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,0,0,0,0,0|2,0,0]=3 426 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,0,0,0,0,0|2,0,0]=3 427 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,0,0,0,0,0|3,0,0]=4 428 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,0,0,0,0,0|3,0,0]=4 429 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,0,0,0,0,0|2,0,0]=3 430 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,0,0,0,0,0|2,0,0]=3 431 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,0,0,0,0,0|2,0,0]=3 432 B6R0.4 NCCNC(=S)N MCULE-7473616024 [1,0,0,0,0,0|2,1,0]=4 433 B6R0.4 NCCNC(=S)N MCULE-7947010145 [1,0,0,0,0,0|2,1,0]=4 434 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,0,0,0,0,0|1,0,0]=2 435 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,0,0,0,0,0|1,0,0]=2 436 B6R0.4 NCCON(=O)=O MCULE-1660868950 [1,0,0,0,0,0|3,0,0]=4 437 B6R0.4 NCCON(=O)=O MCULE-5781896981 [1,0,0,0,0,0|3,0,0]=4 438 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,0,0,0,0,0|3,0,0]=4 439 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,0,0,0,0,0|3,0,0]=4 440 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [1,0,0,0,0,0|2,0,0]=3 441 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [1,0,0,0,0,0|2,0,0]=3 442 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [1,0,0,0,0,0|2,0,0]=3 443 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,0,0,0,0,0|2,0,1]=4 444 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [1,0,0,0,0,0|2,0,1]=4 445 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,0,0,0,0,0|2,0,1]=4 446 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,0,0,0,0,0|3,0,0]=4 447 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,0,0,0,0,0|3,0,0]=4 448 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,0,0,0,0,0|3,0,0]=4 449 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,0,0,0,0,0|3,0,0]=4 450 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,0,0,0,0,0|2,1,0]=4 451 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,0,0,0,0,0|3,0,0]=4 452 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,0,0,0,0,0|3,0,0]=4 453 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,0,0,0,0,0|3,0,0]=4 454 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [1,0,0,0,0,0|3,0,0]=4 455 B6R0.4 OCCOC(F)F MCULE-6004830165 [1,0,0,0,0,0|2,0,1]=4 456 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [1,0,0,0,0,0|3,0,0]=4 457 B6R0.4 [NH2+]=C(N)SCC[NH3+] MCULE-2799536411 [1,0,0,0,0,0|2,1,0]=4 458 B6R0.6 BrCCOCCBr MCULE-7971589019 [1,0,0,0,0,0|2,0,1]=4 459 B6R0.6 C#CCOCCN MCULE-3709649461 [1,0,0,0,0,0|1,0,2]=4 460 B6R0.6 C#CCOCCN MCULE-5750437888 [1,0,0,0,0,0|1,0,2]=4 461 B6R0.6 C#CCOCCO MCULE-4502913039 [1,0,0,0,0,0|1,0,2]=4 462 B6R0.6 C(=C/CCC)\CO MCULE-6491762150 [1,0,0,0,0,0|3,0,0]=4 463 B6R0.6 C/C=C/CCCO MCULE-9865436125 [1,0,0,0,0,0|2,0,1]=4 464 B6R0.6 C/C=C\CCCO MCULE-3169839661 [1,0,0,0,0,0|2,0,1]=4 465 B6R0.6 C=CC=CCCO MCULE-5956097722 [1,0,0,0,0,0|2,0,1]=4 466 B6R0.6 C=CCOCCN MCULE-5411259412 [1,0,0,0,0,0|1,0,2]=4 467 B6R0.6 C=CCOCCN MCULE-9798285838 [1,0,0,0,0,0|1,0,2]=4 468 B6R0.6 C=CCOCCO MCULE-5718868633 [1,0,0,0,0,0|1,0,2]=4 469 B6R0.6 CC/C=C/CCC MCULE-5222700461 [1,0,0,0,0,0|3,0,0]=4 470 B6R0.6 CC/C=C/CCO MCULE-9853729917 [1,0,0,0,0,0|2,0,0]=3 471 B6R0.6 CC/C=C\CCO MCULE-9206958060 [1,0,0,0,0,0|2,0,0]=3 472 B6R0.6 CC=CCCCO MCULE-1401303632 [1,0,0,0,0,0|2,0,1]=4 473 B6R0.6 CCC#CCCO MCULE-1699744538 [1,0,0,0,0,0|2,0,1]=4 474 B6R0.6 CCC=CCCBr MCULE-7873583643 [1,0,0,0,0,0|3,0,0]=4 475 B6R0.6 CCC=CCCC MCULE-3739501724 [1,0,0,0,0,0|3,0,0]=4 476 B6R0.6 CCC=CCCI MCULE-9416216252 [1,0,0,0,0,0|3,0,0]=4 477 B6R0.6 CCC=CCCO MCULE-1781375433 [1,0,0,0,0,0|2,0,0]=3 478 B6R0.6 CCCC=CCBr MCULE-2474104566 [1,0,0,0,0,0|3,0,0]=4 479 B6R0.6 CCCC=CCO MCULE-3204738641 [1,0,0,0,0,0|3,0,0]=4 480 B6R0.6 CCCCCCN MCULE-2944455155 [1,0,0,0,0,0|2,0,1]=4 481 B6R0.6 CCCCCCN MCULE-6014217174 [1,0,0,0,0,0|2,0,1]=4 482 B6R0.6 CCCCCCN MCULE-6021451227 [1,0,0,0,0,0|2,0,1]=4 483 B6R0.6 CCCCCCO MCULE-4299150163 [1,0,0,0,0,0|2,0,1]=4 484 B6R0.6 CCCNCCN MCULE-2288945868 [1,0,0,0,0,0|2,0,1]=4 485 B6R0.6 CCCNCCO MCULE-4813687741 [1,0,0,0,0,0|2,0,1]=4 486 B6R0.6 CCCOCCC MCULE-1390130917 [1,0,0,0,0,0|2,0,1]=4 487 B6R0.6 CCCOCCCl MCULE-6561613708 [1,0,0,0,0,0|2,0,1]=4 488 B6R0.6 CCCOCCI MCULE-5330098176 [1,0,0,0,0,0|2,0,1]=4 489 B6R0.6 CCCOCCN MCULE-1987261931 [1,0,0,0,0,0|1,0,1]=3 490 B6R0.6 CCCOCCN MCULE-9033871038 [1,0,0,0,0,0|1,0,1]=3 491 B6R0.6 CCCOCCO MCULE-3263526264 [1,0,0,0,0,0|1,0,1]=3 492 B6R0.6 CCCSCCN MCULE-3934428121 [1,0,0,0,0,0|1,1,1]=4 493 B6R0.6 CCCSCCN MCULE-5705755172 [1,0,0,0,0,0|1,1,1]=4 494 B6R0.6 CCCSCCO MCULE-8371796663 [1,0,0,0,0,0|1,1,1]=4 495 B6R0.6 CCNCCCO MCULE-3251610052 [1,0,0,0,0,0|3,0,0]=4 496 B6R0.6 CCOCCCO MCULE-3077567484 [1,0,0,0,0,0|3,0,0]=4 497 B6R0.6 CCSCCCO MCULE-6719011943 [1,0,0,0,0,0|3,0,0]=4 498 B6R0.6 COCOCCN MCULE-7974740048 [1,0,0,0,0,0|2,0,1]=4 499 B6R0.6 COCOCCO MCULE-8093241209 [1,0,0,0,0,0|2,0,1]=4 500 B6R0.6 ClCCOCCCl MCULE-2189904184 [1,0,0,0,0,0|2,0,1]=4 501 B6R0.6 ClCCOCCI MCULE-8666203040 [1,0,0,0,0,0|2,0,1]=4 502 B6R0.6 ICCOCCI MCULE-8427607007 [1,0,0,0,0,0|2,0,1]=4 503 B6R0.6 NCC=CCCN MCULE-5058870063 [1,0,0,0,0,0|2,0,0]=3 504 B6R0.6 NCC=CCCN MCULE-6332692206 [1,0,0,0,0,0|2,0,0]=3 505 B6R0.6 NCCCCCBr MCULE-3577483607 [1,0,0,0,0,0|2,0,1]=4 506 B6R0.6 NCCCCCBr MCULE-7572691537 [1,0,0,0,0,0|2,0,1]=4 507 B6R0.6 NCCCCCF MCULE-1057270243 [1,0,0,0,0,0|2,0,1]=4 508 B6R0.6 NCCCCCN MCULE-3785554987 [1,0,0,0,0,0|2,0,1]=4 509 B6R0.6 NCCCCCN MCULE-5173983982 [1,0,0,0,0,0|2,0,1]=4 510 B6R0.6 NCCCCCO MCULE-8877250712 [1,0,0,0,0,0|1,0,1]=3 511 B6R0.6 NCCCCCS MCULE-1813104379 [1,0,0,0,0,0|1,1,1]=4 512 B6R0.6 NCCCCCS MCULE-6081835870 [1,0,0,0,0,0|1,1,1]=4 513 B6R0.6 NCCCCNO MCULE-6478748569 [1,0,0,0,0,0|2,0,1]=4 514 B6R0.6 NCCNCCCl MCULE-8909584172 [1,0,0,0,0,0|2,0,1]=4 515 B6R0.6 NCCNCCCl MCULE-9412103836 [1,0,0,0,0,0|2,0,1]=4 516 B6R0.6 NCCNCCN MCULE-4710767146 [1,0,0,0,0,0|2,0,1]=4 517 B6R0.6 NCCNCCN MCULE-4803305991 [1,0,0,0,0,0|2,0,1]=4 518 B6R0.6 NCCNCCO MCULE-2112359407 [1,0,0,0,0,0|1,0,1]=3 519 B6R0.6 NCCOCCBr MCULE-6520580224 [1,0,0,0,0,0|1,0,1]=3 520 B6R0.6 NCCOCCCl MCULE-1975521529 [1,0,0,0,0,0|1,0,1]=3 521 B6R0.6 NCCOCCCl MCULE-9715175348 [1,0,0,0,0,0|1,0,1]=3 522 B6R0.6 NCCOCCF MCULE-4126568309 [1,0,0,0,0,0|1,0,1]=3 523 B6R0.6 NCCOCCF MCULE-4641621710 [1,0,0,0,0,0|1,0,1]=3 524 B6R0.6 NCCOCCN MCULE-1630934305 [1,0,0,0,0,0|1,0,1]=3 525 B6R0.6 NCCOCCN MCULE-3282393357 [1,0,0,0,0,0|1,0,1]=3 526 B6R0.6 NCCOCCN MCULE-3788231540 [1,0,0,0,0,0|1,0,1]=3 527 B6R0.6 NCCOCCO MCULE-1073574088 [1,0,0,0,0,0|0,0,1]=2 528 B6R0.6 NCCSCCN MCULE-4317147284 [1,0,0,0,0,0|1,1,1]=4 529 B6R0.6 NCCSCCN MCULE-5449033874 [1,0,0,0,0,0|1,1,1]=4 530 B6R0.6 NCCSCCO MCULE-1475378446 [1,0,0,0,0,0|0,1,1]=3 531 B6R0.6 NNCCCCO MCULE-3928748589 [1,0,0,0,0,0|2,0,1]=4 532 B6R0.6 OCCCCCBr MCULE-1444733196 [1,0,0,0,0,0|2,0,1]=4 533 B6R0.6 OCCCCCCl MCULE-5666058059 [1,0,0,0,0,0|2,0,1]=4 534 B6R0.6 OCCCCCF MCULE-9253204275 [1,0,0,0,0,0|2,0,1]=4 535 B6R0.6 OCCCCCI MCULE-8707758496 [1,0,0,0,0,0|2,0,1]=4 536 B6R0.6 OCCCCCO MCULE-1044076048 [1,0,0,0,0,0|2,0,1]=4 537 B6R0.6 OCCNCCCl MCULE-7809492267 [1,0,0,0,0,0|2,0,1]=4 538 B6R0.6 OCCNCCCl MCULE-9007709158 [1,0,0,0,0,0|2,0,1]=4 539 B6R0.6 OCCNCCO MCULE-9183096746 [1,0,0,0,0,0|2,0,1]=4 540 B6R0.6 OCCNCCO MCULE-9803420258 [1,0,0,0,0,0|2,0,1]=4 541 B6R0.6 OCCOCCBr MCULE-2641000270 [1,0,0,0,0,0|1,0,1]=3 542 B6R0.6 OCCOCCCl MCULE-7320539957 [1,0,0,0,0,0|1,0,1]=3 543 B6R0.6 OCCOCCF MCULE-1780385479 [1,0,0,0,0,0|1,0,1]=3 544 B6R0.6 OCCOCCI MCULE-1083607130 [1,0,0,0,0,0|1,0,1]=3 545 B6R0.6 OCCOCCO MCULE-1531783732 [1,0,0,0,0,0|1,0,1]=3 546 B6R0.6 OCCSCCO MCULE-5502656030 [1,0,0,0,0,0|1,1,1]=4 547 B6R0.6 OCCSCCS MCULE-4418561990 [1,0,0,0,0,0|1,1,1]=4 548 B6R0.6 SCCOCCS MCULE-6659110232 [1,0,0,0,0,0|1,1,1]=4 549 B8R0.1 C=CCC(=O)CCCC MCULE-4100882049 [0,1,0,0,0,0|3,0,0]=4 550 B8R0.1 C=CCNC(=O)CCN MCULE-3047926848 [0,1,0,0,0,0|2,0,1]=4 551 B8R0.1 C=CCNC(=O)CCN MCULE-3311649144 [0,1,0,0,0,0|2,0,1]=4 552 B8R0.1 C=CCNC(=O)CNC MCULE-3751200138 [0,1,0,0,0,0|2,0,1]=4 553 B8R0.1 C=CCNC(=O)CNC MCULE-7358806932 [0,1,0,0,0,0|2,0,1]=4 554 B8R0.1 C=CCOC(=O)CC#N MCULE-6302930659 [0,1,0,0,0,0|1,0,2]=4 555 B8R0.1 C=CCOC(=O)CCC MCULE-7209016839 [0,1,0,0,0,0|2,0,1]=4 556 B8R0.1 C=CCOC(=O)OCC MCULE-4897941593 [0,1,0,0,0,0|2,0,1]=4 557 B8R0.1 CCCC(=O)NCCN MCULE-1372911866 [0,1,0,0,0,0|3,0,0]=4 558 B8R0.1 CCCC(=O)OCCCl MCULE-8469083528 [0,1,0,0,0,0|2,0,0]=3 559 B8R0.1 CCCC(=O)OCCO MCULE-5942976945 [0,1,0,0,0,0|1,0,0]=2 560 B8R0.1 CCCCC(=O)CCC MCULE-5459540473 [0,1,0,0,0,0|3,0,0]=4 561 B8R0.1 CCCCC(=O)COC MCULE-7059597173 [0,1,0,0,0,0|3,0,0]=4 562 B8R0.1 CCCCC(=O)OCC MCULE-1219537918 [0,1,0,0,0,0|3,0,0]=4 563 B8R0.1 CCCCC(=O)OCCl MCULE-1974449433 [0,1,0,0,0,0|3,0,0]=4 564 B8R0.1 CCCNC(=O)CC#N MCULE-5659894723 [0,1,0,0,0,0|2,0,1]=4 565 B8R0.1 CCCNC(=O)CCC MCULE-2578933218 [0,1,0,0,0,0|3,0,0]=4 566 B8R0.1 CCCNC(=O)CCN MCULE-9343291828 [0,1,0,0,0,0|2,0,0]=3 567 B8R0.1 CCCNC(=O)CCN MCULE-9397624395 [0,1,0,0,0,0|2,0,0]=3 568 B8R0.1 CCCNC(=O)CNC MCULE-3183907339 [0,1,0,0,0,0|2,0,0]=3 569 B8R0.1 CCCNC(=O)CNC MCULE-9204845590 [0,1,0,0,0,0|2,0,0]=3 570 B8R0.1 CCCNC(=O)NCC MCULE-5842395608 [0,1,0,0,0,0|3,0,0]=4 571 B8R0.1 CCCOC(=O)CC#N MCULE-6051640060 [0,1,0,0,0,0|1,0,1]=3 572 B8R0.1 CCCOC(=O)CCC MCULE-7673125406 [0,1,0,0,0,0|2,0,0]=3 573 B8R0.1 CCCOC(=O)CCN MCULE-1345071747 [0,1,0,0,0,0|1,0,0]=2 574 B8R0.1 CCCOC(=O)CCN MCULE-3861690448 [0,1,0,0,0,0|1,0,0]=2 575 B8R0.1 CCCOC(=O)CCO MCULE-7390309329 [0,1,0,0,0,0|2,0,0]=3 576 B8R0.1 CCCOC(=O)OCCl MCULE-7435813375 [0,1,0,0,0,0|2,0,0]=3 577 B8R0.1 CCNC(=O)NCCN MCULE-2782056393 [0,1,0,0,0,0|3,0,0]=4 578 B8R0.1 CCNC(=O)NCCN MCULE-3018091453 [0,1,0,0,0,0|3,0,0]=4 579 B8R0.1 CCNC(=O)NCCO MCULE-1039035778 [0,1,0,0,0,0|2,0,0]=3 580 B8R0.1 CCOC(=O)/C=C/CO MCULE-7879343808 [0,1,0,0,0,0|2,0,1]=4 581 B8R0.1 CCOC(=O)C#CCO MCULE-5094094961 [0,1,0,0,0,0|2,0,1]=4 582 B8R0.1 CCOC(=O)C=CCO MCULE-7710620250 [0,1,0,0,0,0|2,0,1]=4 583 B8R0.1 CCOC(=O)CCCBr MCULE-5001503693 [0,1,0,0,0,0|3,0,0]=4 584 B8R0.1 CCOC(=O)CCCCl MCULE-4945067440 [0,1,0,0,0,0|3,0,0]=4 585 B8R0.1 CCOC(=O)CCCI MCULE-3229549270 [0,1,0,0,0,0|3,0,0]=4 586 B8R0.1 CCOC(=O)CCCN MCULE-3396270547 [0,1,0,0,0,0|3,0,0]=4 587 B8R0.1 CCOC(=O)CCCO MCULE-6165580365 [0,1,0,0,0,0|2,0,0]=3 588 B8R0.1 CCOC(=O)CCCS MCULE-6616511520 [0,1,0,0,0,0|2,1,0]=4 589 B8R0.1 CCOC(=O)CCC[NH3+] MCULE-4462126494 [0,1,0,0,0,0|3,0,0]=4 590 B8R0.1 CCOC(=O)NCCBr MCULE-4386850032 [0,1,0,0,0,0|3,0,0]=4 591 B8R0.1 CCOC(=O)NCCCl MCULE-5545666176 [0,1,0,0,0,0|3,0,0]=4 592 B8R0.1 CCOC(=O)NCCN MCULE-1497223307 [0,1,0,0,0,0|3,0,0]=4 593 B8R0.1 CCOC(=O)NCCN MCULE-3733943315 [0,1,0,0,0,0|3,0,0]=4 594 B8R0.1 CCOC(=O)NCCO MCULE-7625780069 [0,1,0,0,0,0|2,0,0]=3 595 B8R0.1 CCOC(=O)OCCBr MCULE-4627499799 [0,1,0,0,0,0|2,0,0]=3 596 B8R0.1 CNCC(=O)NCCO MCULE-3176678829 [0,1,0,0,0,0|1,0,0]=2 597 B8R0.1 CNCC(=O)NCCO MCULE-6959810810 [0,1,0,0,0,0|1,0,0]=2 598 B8R0.1 COCC(=O)NCCN MCULE-2273634996 [0,1,0,0,0,0|3,0,0]=4 599 B8R0.1 COCC(=O)NCCO MCULE-3232862916 [0,1,0,0,0,0|2,0,0]=3 600 B8R0.1 N#CCC(=O)NCCO MCULE-9086923364 [0,1,0,0,0,0|1,0,1]=3 601 B8R0.1 NCCC(=O)NCCO MCULE-6631262210 [0,1,0,0,0,0|1,0,0]=2 602 B8R0.1 NCCC(=O)NCCO MCULE-7004874938 [0,1,0,0,0,0|1,0,0]=2 603 B8R0.1 NCCC(=O)NCCS MCULE-3035249090 [0,1,0,0,0,0|1,1,0]=3 604 B8R0.1 O=C(CCS)OCCO MCULE-8554625892 [0,1,0,0,0,0|1,0,0]=2 605 B8R0.1 O=C(NCO)NCCO MCULE-2347245416 [0,1,0,0,0,0|2,0,0]=3 606 B8R0.3 CCCC(C)C(=O)CC MCULE-9990200653 [0,1,0,0,0,0|3,0,0]=4 607 B8R0.3 CCON(C)C(=O)CN MCULE-5915406823 [0,1,0,0,0,0|3,0,0]=4 608 B8R0.3 CCON(C)C(=O)CN MCULE-6850903466 [0,1,0,0,0,0|3,0,0]=4 609 B8R0.3 CN(CCO)C(=O)CN MCULE-1038481465 [0,1,0,0,0,0|1,0,0]=2 610 B8R0.3 CN(CCO)C(=O)CN MCULE-9274946911 [0,1,0,0,0,0|1,0,0]=2 611 B8R0.3 COC(=O)N(C)CCO MCULE-3282195016 [0,1,0,0,0,0|3,0,0]=4 612 B8R0.3 COC(=O)[C@H](N)CCO MCULE-1194830786 [0,1,0,0,0,0|3,0,0]=4 613 B8R0.3 COC(=O)[C@H](N)CCO MCULE-2532522705 [0,1,0,0,0,0|3,0,0]=4 614 B8R0.6 C#CC(=O)NCCOC MCULE-6198532487 [0,1,0,0,0,0|2,0,1]=4 615 B8R0.6 C#CCCCC(=O)NN MCULE-3070314826 [0,1,0,0,0,0|3,0,0]=4 616 B8R0.6 C=CC(=O)NCCOC MCULE-1939884493 [0,1,0,0,0,0|2,0,1]=4 617 B8R0.6 C=CC(=O)OCCC#N MCULE-1691059992 [0,1,0,0,0,0|2,0,1]=4 618 B8R0.6 C=CC(=O)OCCCC MCULE-6944090543 [0,1,0,0,0,0|2,0,1]=4 619 B8R0.6 C=CC(=O)OCCCO MCULE-7957370216 [0,1,0,0,0,0|1,0,1]=3 620 B8R0.6 C=CC(=O)OCCOC MCULE-6865078247 [0,1,0,0,0,0|1,0,1]=3 621 B8R0.6 C=CCCOC(=O)CN MCULE-8632791952 [0,1,0,0,0,0|1,0,0]=2 622 B8R0.6 CCCCCC(=O)CBr MCULE-6642335283 [0,1,0,0,0,0|3,0,0]=4 623 B8R0.6 CCCCCC(=O)CC MCULE-2012071553 [0,1,0,0,0,0|3,0,0]=4 624 B8R0.6 CCCCCC(=O)NN MCULE-3138841743 [0,1,0,0,0,0|3,0,0]=4 625 B8R0.6 CCCCNC(=O)CBr MCULE-4128795630 [0,1,0,0,0,0|3,0,0]=4 626 B8R0.6 CCCCNC(=O)CC MCULE-3176114265 [0,1,0,0,0,0|3,0,0]=4 627 B8R0.6 CCCCNC(=O)CCl MCULE-6162581938 [0,1,0,0,0,0|3,0,0]=4 628 B8R0.6 CCCCNC(=O)CN MCULE-2730890796 [0,1,0,0,0,0|2,0,0]=3 629 B8R0.6 CCCCNC(=O)CN MCULE-8794795131 [0,1,0,0,0,0|2,0,0]=3 630 B8R0.6 CCCCNC(=O)NN MCULE-2049505984 [0,1,0,0,0,0|3,0,0]=4 631 B8R0.6 CCCCOC(=O)C=O MCULE-1707513945 [0,1,0,0,0,0|2,0,1]=4 632 B8R0.6 CCCCOC(=O)CBr MCULE-8883996630 [0,1,0,0,0,0|2,0,0]=3 633 B8R0.6 CCCCOC(=O)CC MCULE-4622389592 [0,1,0,0,0,0|2,0,0]=3 634 B8R0.6 CCCCOC(=O)CCl MCULE-1608118057 [0,1,0,0,0,0|2,0,0]=3 635 B8R0.6 CCCCOC(=O)CF MCULE-1355274212 [0,1,0,0,0,0|2,0,0]=3 636 B8R0.6 CCCCOC(=O)CN MCULE-9168260466 [0,1,0,0,0,0|1,0,0]=2 637 B8R0.6 CCCCOC(=O)CN MCULE-9585888268 [0,1,0,0,0,0|1,0,0]=2 638 B8R0.6 CCCCOC(=O)CO MCULE-4016266350 [0,1,0,0,0,0|2,0,0]=3 639 B8R0.6 CCCCOC(=O)CS MCULE-4331308025 [0,1,0,0,0,0|2,0,0]=3 640 B8R0.6 CCNCCC(=O)NN MCULE-8224878393 [0,1,0,0,0,0|3,0,0]=4 641 B8R0.6 CCOCCC(=O)NN MCULE-2571001026 [0,1,0,0,0,0|3,0,0]=4 642 B8R0.6 CNC(=O)CCCON MCULE-8352787831 [0,1,0,0,0,0|3,0,0]=4 643 B8R0.6 CNC(=O)NCCCO MCULE-3093590717 [0,1,0,0,0,0|3,0,0]=4 644 B8R0.6 CNCCCC(=O)NN MCULE-9999287103 [0,1,0,0,0,0|3,0,0]=4 645 B8R0.6 COC(=O)CCCCO MCULE-2443996181 [0,1,0,0,0,0|3,0,0]=4 646 B8R0.6 COC(=O)CCCON MCULE-1522874324 [0,1,0,0,0,0|3,0,0]=4 647 B8R0.6 COC(=O)CCCON MCULE-4748610058 [0,1,0,0,0,0|3,0,0]=4 648 B8R0.6 COC(=O)COCCCl MCULE-4344602258 [0,1,0,0,0,0|3,0,0]=4 649 B8R0.6 COC(=O)COCCN MCULE-5090944064 [0,1,0,0,0,0|3,0,0]=4 650 B8R0.6 COC(=O)COCCN MCULE-6748820855 [0,1,0,0,0,0|3,0,0]=4 651 B8R0.6 COC(=O)COCCO MCULE-7869619911 [0,1,0,0,0,0|2,0,0]=3 652 B8R0.6 COCCCC(=O)OC MCULE-4109110804 [0,1,0,0,0,0|3,0,0]=4 653 B8R0.6 COCCNC(=O)CBr MCULE-3132647741 [0,1,0,0,0,0|2,0,0]=3 654 B8R0.6 COCCNC(=O)CCl MCULE-3082598915 [0,1,0,0,0,0|2,0,0]=3 655 B8R0.6 COCCNC(=O)CN MCULE-6007531067 [0,1,0,0,0,0|1,0,0]=2 656 B8R0.6 COCCNC(=O)CN MCULE-6629249444 [0,1,0,0,0,0|1,0,0]=2 657 B8R0.6 COCCNC(=O)NN MCULE-8505538693 [0,1,0,0,0,0|2,0,0]=3 658 B8R0.6 COCCNC(=S)NN MCULE-5381074299 [0,1,0,0,0,0|2,1,0]=4 659 B8R0.6 COCCOC(=O)CBr MCULE-3194439093 [0,1,0,0,0,0|1,0,0]=2 660 B8R0.6 COCCOC(=O)CCl MCULE-1894420315 [0,1,0,0,0,0|1,0,0]=2 661 B8R0.6 COCCOC(=O)CS MCULE-9869840399 [0,1,0,0,0,0|1,0,0]=2 662 B8R0.6 N#CCCNC(=O)CCl MCULE-7007330126 [0,1,0,0,0,0|3,0,0]=4 663 B8R0.6 NCC(=O)NCCCO MCULE-3346996357 [0,1,0,0,0,0|1,0,0]=2 664 B8R0.6 NCC(=O)NCCCO MCULE-5088922472 [0,1,0,0,0,0|1,0,0]=2 665 B8R0.6 NNC(=O)COCCO MCULE-8424164288 [0,1,0,0,0,0|1,0,0]=2 666 B8R0.6 O=C(CCl)NCCCO MCULE-7154051707 [0,1,0,0,0,0|2,0,0]=3 667 B8R0.6 OCCOCC(=CBr)Br MCULE-7768949529 [0,1,0,0,0,0|2,0,1]=4 668 B8R0.6 OCCOCC(O)CCl MCULE-1530998868 [0,1,0,0,0,0|1,0,2]=4 669 B8R0.6 OCCOCC(O)CO MCULE-4768071463 [0,1,0,0,0,0|1,0,2]=4 670 B8R0.8 C=C(C)C(=O)NCCO MCULE-3517470957 [0,1,0,0,0,0|2,0,1]=4 671 B8R0.8 C=C(C)C(=O)OCCBr MCULE-2338171938 [0,1,0,0,0,0|2,0,1]=4 672 B8R0.8 C=C(C)C(=O)OCCC MCULE-3202968176 [0,1,0,0,0,0|2,0,1]=4 673 B8R0.8 C=C(C)C(=O)OCCCl MCULE-1588137861 [0,1,0,0,0,0|2,0,1]=4 674 B8R0.8 C=C(C)C(=O)OCCF MCULE-6402794071 [0,1,0,0,0,0|2,0,1]=4 675 B8R0.8 C=C(C)C(=O)OCCN MCULE-1298883252 [0,1,0,0,0,0|2,0,1]=4 676 B8R0.8 C=C(C)C(=O)OCCN MCULE-8628486692 [0,1,0,0,0,0|2,0,1]=4 677 B8R0.8 C=C(C)C(=O)OCCO MCULE-7874353357 [0,1,0,0,0,0|1,0,1]=3 678 B8R0.8 C=CCNC(=O)C(C)N MCULE-1687513617 [0,1,0,0,0,0|2,0,1]=4 679 B8R0.8 C=CCNC(=O)C(C)N MCULE-2414660364 [0,1,0,0,0,0|2,0,1]=4 680 B8R0.8 C=CCOC(=O)C(C)C MCULE-7473828450 [0,1,0,0,0,0|2,0,1]=4 681 B8R0.8 C=CCOC(=O)C(C)N MCULE-3891765808 [0,1,0,0,0,0|1,0,1]=3 682 B8R0.8 C=CCOC(=O)C(C)N MCULE-6751373941 [0,1,0,0,0,0|1,0,1]=3 683 B8R0.8 C=CCOC(=O)C(C)N MCULE-9186591126 [0,1,0,0,0,0|1,0,1]=3 684 B8R0.8 C=CCOC(=O)[C@H](C)N MCULE-5935483168 [0,1,0,0,0,0|1,0,1]=3 685 B8R0.8 C=CCOC(=O)[C@H](C)N MCULE-6863590099 [0,1,0,0,0,0|1,0,1]=3 686 B8R0.8 C=CCOC(=O)[C@H](C)N MCULE-7917821783 [0,1,0,0,0,0|1,0,1]=3 687 B8R0.8 C=CCOC(=O)[C@H](C)N MCULE-9585751363 [0,1,0,0,0,0|1,0,1]=3 688 B8R0.8 CC(C)C(=O)CCCCl MCULE-7442882082 [0,1,0,0,0,0|3,0,0]=4 689 B8R0.8 CC(C)C(=O)NCCN MCULE-8671421121 [0,1,0,0,0,0|3,0,0]=4 690 B8R0.8 CC(C)C(=O)NCCN MCULE-9934200854 [0,1,0,0,0,0|3,0,0]=4 691 B8R0.8 CC(C)C(=O)NCCO MCULE-8748737436 [0,1,0,0,0,0|2,0,0]=3 692 B8R0.8 CC(C)C(=O)OCCO MCULE-1495755417 [0,1,0,0,0,0|1,0,0]=2 693 B8R0.8 CC(Cl)C(=O)NCCO MCULE-5321948590 [0,1,0,0,0,0|2,0,0]=3 694 B8R0.8 CC(N)C(=O)NCCF MCULE-2386057618 [0,1,0,0,0,0|2,0,0]=3 695 B8R0.8 CC(N)C(=O)NCCF MCULE-6631244596 [0,1,0,0,0,0|2,0,0]=3 696 B8R0.8 CC(N)C(=O)NCCO MCULE-8762343384 [0,1,0,0,0,0|1,0,0]=2 697 B8R0.8 CC(N)C(=O)NCCO MCULE-9848656207 [0,1,0,0,0,0|1,0,0]=2 698 B8R0.8 CC(O)C(=O)NCCO MCULE-2938685957 [0,1,0,0,0,0|2,0,0]=3 699 B8R0.8 CC(O)C(=O)OCCO MCULE-9321822945 [0,1,0,0,0,0|1,0,0]=2 700 B8R0.8 CCCCC(=O)C(C)C MCULE-1905176805 [0,1,0,0,0,0|3,0,0]=4 701 B8R0.8 CCCCC(=O)C(C)N MCULE-1316684028 [0,1,0,0,0,0|2,0,0]=3 702 B8R0.8 CCCCC(=O)C(C)N MCULE-1846818051 [0,1,0,0,0,0|2,0,0]=3 703 B8R0.8 CCCCC(=O)C(C)N MCULE-6223994385 [0,1,0,0,0,0|2,0,0]=3 704 B8R0.8 CCCCC(=O)C(C)N MCULE-8594054065 [0,1,0,0,0,0|2,0,0]=3 705 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-4202397833 [0,1,0,0,0,0|2,0,0]=3 706 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-8156418445 [0,1,0,0,0,0|2,0,0]=3 707 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-8186118680 [0,1,0,0,0,0|2,0,0]=3 708 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-9214507863 [0,1,0,0,0,0|2,0,0]=3 709 B8R0.8 CCCNC(=O)C(C)Br MCULE-7756965972 [0,1,0,0,0,0|3,0,0]=4 710 B8R0.8 CCCNC(=O)C(C)Cl MCULE-7279909731 [0,1,0,0,0,0|3,0,0]=4 711 B8R0.8 CCCNC(=O)C(C)N MCULE-2829232879 [0,1,0,0,0,0|2,0,0]=3 712 B8R0.8 CCCNC(=O)C(C)N MCULE-5579383254 [0,1,0,0,0,0|2,0,0]=3 713 B8R0.8 CCCNC(=O)C(Cl)Cl MCULE-8764104239 [0,1,0,0,0,0|3,0,0]=4 714 B8R0.8 CCCNC(=O)[C@@H](C)N MCULE-4345277738 [0,1,0,0,0,0|2,0,0]=3 715 B8R0.8 CCCNC(=O)[C@@H](C)N MCULE-8221598088 [0,1,0,0,0,0|2,0,0]=3 716 B8R0.8 CCCOC(=O)C(C)C MCULE-8112640762 [0,1,0,0,0,0|2,0,0]=3 717 B8R0.8 CCCOC(=O)C(C)Cl MCULE-6753282934 [0,1,0,0,0,0|2,0,0]=3 718 B8R0.8 CCCOC(=O)C(C)N MCULE-6692040810 [0,1,0,0,0,0|1,0,0]=2 719 B8R0.8 CCCOC(=O)C(C)N MCULE-9142364939 [0,1,0,0,0,0|1,0,0]=2 720 B8R0.8 CCCOC(=O)C(C)O MCULE-8240669472 [0,1,0,0,0,0|2,0,0]=3 721 B8R0.8 CCCOC(=O)[C@H](C)N MCULE-2973724539 [0,1,0,0,0,0|1,0,0]=2 722 B8R0.8 CCCOC(=O)[C@H](C)N MCULE-7427167899 [0,1,0,0,0,0|1,0,0]=2 723 B8R0.8 CCCOC(=O)[C@H](C)O MCULE-4150275631 [0,1,0,0,0,0|2,0,0]=3 724 B8R0.8 CN(C)C(=O)CCCO MCULE-2835364374 [0,1,0,0,0,0|3,0,0]=4 725 B8R0.8 CN(C)C(=O)NCCO MCULE-1871590361 [0,1,0,0,0,0|3,0,0]=4 726 B8R0.8 CN(C)C(=O)OCCBr MCULE-6277675119 [0,1,0,0,0,0|3,0,0]=4 727 B8R0.8 CN(C)C(=O)OCCN MCULE-5799128416 [0,1,0,0,0,0|3,0,0]=4 728 B8R0.8 CN(C)C(=O)OCCN MCULE-7701325921 [0,1,0,0,0,0|3,0,0]=4 729 B8R0.8 CN(C)C(=O)SCCO MCULE-5599478558 [0,1,0,0,0,0|2,1,0]=4 730 B8R0.8 O=C(NCCCl)C(Cl)Cl MCULE-8585437335 [0,1,0,0,0,0|3,0,0]=4 731 B8R0.8 O=C(NCCO)C(Cl)Cl MCULE-9484937965 [0,1,0,0,0,0|2,0,0]=3 732 B8R0.9 C=CC(=O)NCC(C)O MCULE-7092700588 [0,1,0,0,0,0|2,0,1]=4 733 B8R0.9 C=CC(=O)OCC(C)C MCULE-9738172155 [0,1,0,0,0,0|2,0,1]=4 734 B8R0.9 C=CC(=O)OCC(C)O MCULE-5600840983 [0,1,0,0,0,0|1,0,1]=3 735 B8R0.9 CC(C)CCC(=O)CCl MCULE-7122163926 [0,1,0,0,0,0|3,0,0]=4 736 B8R0.9 CC(C)CCC(=O)CN MCULE-2601333978 [0,1,0,0,0,0|2,0,0]=3 737 B8R0.9 CC(C)CCC(=O)CN MCULE-9600279855 [0,1,0,0,0,0|2,0,0]=3 738 B8R0.9 CC(C)CNC(=O)CBr MCULE-8912739616 [0,1,0,0,0,0|3,0,0]=4 739 B8R0.9 CC(C)CNC(=O)CCl MCULE-6480983342 [0,1,0,0,0,0|3,0,0]=4 740 B8R0.9 CC(C)CNC(=O)CN MCULE-3593523223 [0,1,0,0,0,0|2,0,0]=3 741 B8R0.9 CC(C)CNC(=O)CN MCULE-9338504001 [0,1,0,0,0,0|2,0,0]=3 742 B8R0.9 CC(C)COC(=O)CBr MCULE-3596274514 [0,1,0,0,0,0|2,0,0]=3 743 B8R0.9 CC(C)COC(=O)CCl MCULE-8531893041 [0,1,0,0,0,0|2,0,0]=3 744 B8R0.9 CC(C)COC(=O)CS MCULE-6380142851 [0,1,0,0,0,0|2,0,0]=3 745 B8R0.9 CC(Cl)CNC(=O)CCl MCULE-1131103741 [0,1,0,0,0,0|3,0,0]=4 746 B8R0.9 CC(O)CCC(=O)NN MCULE-3743680204 [0,1,0,0,0,0|2,0,0]=3 747 B8R0.9 CC(O)COC(C)CO MCULE-7544702364 [0,1,0,0,0,0|2,0,1]=4 748 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.9 CCC(=O)CCC(C)C MCULE-3065298823 [0,1,0,0,0,0|3,0,0]=4 750 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,1,0,0,0,0|2,0,1]=4 751 B8R0.9 CCC(=O)NCC(C)C MCULE-3079187120 [0,1,0,0,0,0|3,0,0]=4 752 B8R0.9 CCC(=O)OCC(C)Br MCULE-7344958033 [0,1,0,0,0,0|2,0,0]=3 753 B8R0.9 CCC(=O)OCC(C)C MCULE-4196106578 [0,1,0,0,0,0|2,0,0]=3 754 B8R0.9 COC(=O)NCC(C)O MCULE-3862167665 [0,1,0,0,0,0|3,0,0]=4 755 B8R0.9 COC(=O)OCC(F)F MCULE-9403543035 [0,1,0,0,0,0|3,0,0]=4 756 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,1,0,0,0,0|1,0,1]=3 757 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,1,0,0,0,0|1,0,1]=3 758 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,1,0,0,0,0|1,0,1]=3 759 B8R0.9 NCC(=O)NCC(=O)N MCULE-8386571025 [0,1,0,0,0,0|1,0,2]=4 760 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,1,0,0,0,0|1,0,1]=3 761 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,1,0,0,0,0|1,0,1]=3 762 B8R0.9 NCC(=O)NCC(F)F MCULE-2424685367 [0,1,0,0,0,0|2,0,0]=3 763 B8R0.9 NCC(=O)NCC(F)F MCULE-9297989555 [0,1,0,0,0,0|2,0,0]=3 764 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,1,0,0,0,0|2,0,1]=4 765 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.9 NNC(=O)NCC(=O)O MCULE-6013763993 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.9 NNC(=O)NCC(=O)O MCULE-8104731063 [0,1,0,0,0,0|2,0,1]=4 768 B8R0.9 O=C(CBr)NCC(F)F MCULE-2776688161 [0,1,0,0,0,0|3,0,0]=4 769 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,1,0,0,0,0|2,0,1]=4 770 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,1,0,0,0,0|2,0,1]=4 771 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,1,0,0,0,0|1,0,1]=3 772 B8R0.11 CCC/C=C(/C=O)\CC MCULE-6598454196 [0,1,0,0,0,0|3,0,0]=4 773 B8R0.11 CCCC=C(C=O)CC MCULE-9099763598 [0,1,0,0,0,0|3,0,0]=4 774 B8R0.11 CCCOC(CC)CN MCULE-9936594334 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.19 CC(CO)NC(=O)CCl MCULE-8321254604 [0,1,0,0,0,0|2,0,0]=3 776 B8R0.19 CC(CO)OC(C)CO MCULE-3894293331 [0,1,0,0,0,0|2,0,1]=4 777 B8R0.19 CC(CO)OC(C)CO MCULE-7387498325 [0,1,0,0,0,0|2,0,1]=4 778 B8R0.19 CCC(=O)CC(C)CC MCULE-8568086135 [0,1,0,0,0,0|3,0,0]=4 779 B8R0.19 CCC(=O)OC(=O)CC MCULE-4790806387 [0,1,0,0,0,0|2,0,1]=4 780 B8R0.19 CCC(=O)OC(C)CC MCULE-9589388650 [0,1,0,0,0,0|2,0,0]=3 781 B8R0.19 CCC(C)NC(=O)CBr MCULE-1471524055 [0,1,0,0,0,0|3,0,0]=4 782 B8R0.19 CCC(C)NC(=O)CCl MCULE-1032516079 [0,1,0,0,0,0|3,0,0]=4 783 B8R0.19 CCC(C)NC(=O)CN MCULE-2235248545 [0,1,0,0,0,0|2,0,0]=3 784 B8R0.19 CCC(C)NC(=O)CN MCULE-5232759952 [0,1,0,0,0,0|2,0,0]=3 785 B8R0.19 CCC(C)OC(=O)NN MCULE-8409912635 [0,1,0,0,0,0|2,0,0]=3 786 B8R0.19 COC(=O)CC(N)CO MCULE-4803123890 [0,1,0,0,0,0|3,0,0]=4 787 B8R0.19 COC(=O)CC(N)CO MCULE-5372024399 [0,1,0,0,0,0|3,0,0]=4 788 B8R0.19 COC(=O)CC(O)CO MCULE-1721395490 [0,1,0,0,0,0|3,0,0]=4 789 B8R0.19 COC(=O)CC(O)CO MCULE-7578547932 [0,1,0,0,0,0|3,0,0]=4 790 B8R0.19 COC(=O)C[C@H](O)CO MCULE-3243102477 [0,1,0,0,0,0|3,0,0]=4 791 B8R0.19 COC(=O)C[C@H](O)CO MCULE-7538479392 [0,1,0,0,0,0|3,0,0]=4 792 B8R0.19 NNC(=O)CC(O)CCl MCULE-4502390137 [0,1,0,0,0,0|3,0,0]=4 793 B8R0.19 O=C(CBr)OC(=O)CBr MCULE-1083667755 [0,1,0,0,0,0|2,0,1]=4 794 B8R0.19 O=C(CCl)OC(=O)CCl MCULE-6955528870 [0,1,0,0,0,0|2,0,1]=4 795 B8R0.19 O=C(CF)OC(=O)CF MCULE-4441128823 [0,1,0,0,0,0|2,0,1]=4 796 B8R0.19 O=C(CI)OC(=O)CI MCULE-6629478677 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.19 O=C(CO)CC(O)CO MCULE-2853556664 [0,1,0,0,0,0|2,0,0]=3 798 B8R0.25 CC(C)(CN)CCCO MCULE-4095443287 [0,1,0,0,0,0|2,0,1]=4 799 B8R0.25 CC(C)(CN)NCCO MCULE-6392873642 [0,1,0,0,0,0|2,0,1]=4 800 B8R0.25 CC(C)(CN)OCCO MCULE-7557722819 [0,1,0,0,0,0|1,0,1]=3 801 B8R0.25 CC(O)(CN)CCCO MCULE-1441500967 [0,1,0,0,0,0|1,0,2]=4 802 B8R0.25 CCC(C)(C)OCCO MCULE-5109019344 [0,1,0,0,0,0|2,0,1]=4 803 B8R0.25 CCS(=O)(=O)CCCO MCULE-6933237968 [0,1,0,0,0,0|3,0,0]=4 804 B8R0.25 CCS(=O)(=O)OCCF MCULE-6717748095 [0,1,0,0,0,0|3,0,0]=4 805 B8R1.1 C1(CCC(=O)N1)CBr MCULE-4451864575 [0,0,0,1,0,0|3,0,0]=4 806 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [0,0,0,1,0,0|3,0,0]=4 807 B8R1.1 C1(CCC(=O)N1)CO MCULE-8513534447 [0,0,0,1,0,0|2,0,0]=3 808 B8R1.1 C1(CNC(=O)O1)CO MCULE-2451079587 [0,0,0,1,0,0|2,0,0]=3 809 B8R1.1 C=C1CN[C@@H](C1)CO MCULE-2356105510 [0,0,0,1,0,0|2,0,0]=3 810 B8R1.1 C=C1CN[C@@H](C1)CO MCULE-8856338816 [0,0,0,1,0,0|2,0,0]=3 811 B8R1.1 CC1CCC(O1)CO MCULE-1587985152 [0,0,0,1,0,0|2,0,1]=4 812 B8R1.1 CC1CNC(C1)CO MCULE-2461186712 [0,0,0,1,0,0|2,0,1]=4 813 B8R1.1 CC1CNC(C1)CO MCULE-5209280647 [0,0,0,1,0,0|2,0,1]=4 814 B8R1.1 CCC1C=CC(=O)O1 MCULE-8058927851 [0,0,0,1,0,0|2,0,1]=4 815 B8R1.1 CCC1CC(=O)CO1 MCULE-7105024194 [0,0,0,1,0,0|3,0,0]=4 816 B8R1.1 CCC1CCC(=O)C1 MCULE-8455504217 [0,0,0,1,0,0|3,0,0]=4 817 B8R1.1 CCC1CCC(=O)N1 MCULE-6150249637 [0,0,0,1,0,0|3,0,0]=4 818 B8R1.1 CCC1CCC(=O)O1 MCULE-5161861312 [0,0,0,1,0,0|2,0,0]=3 819 B8R1.1 CCC1CNC(=O)O1 MCULE-9388725409 [0,0,0,1,0,0|3,0,0]=4 820 B8R1.1 CCC1COC(=O)O1 MCULE-5743084846 [0,0,0,1,0,0|3,0,0]=4 821 B8R1.1 CC[C@@H]1CCC(=O)C1 MCULE-7687801028 [0,0,0,1,0,0|3,0,0]=4 822 B8R1.1 CC[C@@H]1CCC(=O)O1 MCULE-9831904901 [0,0,0,1,0,0|2,0,0]=3 823 B8R1.1 CC[C@H]1CCC(=O)C1 MCULE-6479003670 [0,0,0,1,0,0|3,0,0]=4 824 B8R1.1 C[C@@H]1CC[C@@H](O1)CO MCULE-1981408927 [0,0,0,1,0,0|2,0,1]=4 825 B8R1.1 C[C@@H]1CC[C@@H](O1)CO MCULE-2750103072 [0,0,0,1,0,0|2,0,1]=4 826 B8R1.1 C[C@@H]1CN[C@@H](C1)CO MCULE-1057201942 [0,0,0,1,0,0|2,0,1]=4 827 B8R1.1 C[C@@H]1CN[C@@H](C1)CO MCULE-5251520971 [0,0,0,1,0,0|2,0,1]=4 828 B8R1.1 C[C@H]1CC[C@H](O1)CO MCULE-2585928492 [0,0,0,1,0,0|2,0,1]=4 829 B8R1.1 C[C@H]1CC[C@H](O1)CO MCULE-3715649264 [0,0,0,1,0,0|2,0,1]=4 830 B8R1.1 C[C@H]1CN[C@@H](C1)CO MCULE-3784655204 [0,0,0,1,0,0|2,0,1]=4 831 B8R1.1 C[C@H]1CN[C@@H](C1)CO MCULE-3927798393 [0,0,0,1,0,0|2,0,1]=4 832 B8R1.1 NCC1=CC(=NO1)O MCULE-5314463544 [0,0,0,1,0,0|2,0,1]=4 833 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [0,0,0,1,0,0|3,0,0]=4 834 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [0,0,0,1,0,0|3,0,0]=4 835 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [0,0,0,1,0,0|3,0,0]=4 836 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [0,0,0,1,0,0|3,0,0]=4 837 B8R1.1 NCC1CCC(=O)O1 MCULE-5413792723 [0,0,0,1,0,0|2,0,0]=3 838 B8R1.1 NCC1CCC(=O)O1 MCULE-8312895206 [0,0,0,1,0,0|2,0,0]=3 839 B8R1.1 NCC1CCC(C1)O MCULE-1780130995 [0,0,0,1,0,0|2,0,1]=4 840 B8R1.1 NCC1CCC(C1)O MCULE-5002398342 [0,0,0,1,0,0|2,0,1]=4 841 B8R1.1 NCC1CNC(=O)O1 MCULE-3940030823 [0,0,0,1,0,0|3,0,0]=4 842 B8R1.1 NCC1CNC(=O)O1 MCULE-7671055394 [0,0,0,1,0,0|3,0,0]=4 843 B8R1.1 NCC1C[C@H](CN1)O MCULE-1428185082 [0,0,0,1,0,0|2,0,1]=4 844 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [0,0,0,1,0,0|3,0,0]=4 845 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [0,0,0,1,0,0|3,0,0]=4 846 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [0,0,0,1,0,0|3,0,0]=4 847 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [0,0,0,1,0,0|3,0,0]=4 848 B8R1.1 NC[C@@H]1CC[C@@H](C1)O MCULE-2662561877 [0,0,0,1,0,0|2,0,1]=4 849 B8R1.1 NC[C@@H]1CC[C@H](C1)O MCULE-9258933196 [0,0,0,1,0,0|2,0,1]=4 850 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-1463241001 [0,0,0,1,0,0|3,0,0]=4 851 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-3217887113 [0,0,0,1,0,0|3,0,0]=4 852 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-5423398321 [0,0,0,1,0,0|3,0,0]=4 853 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-9322185538 [0,0,0,1,0,0|3,0,0]=4 854 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [0,0,0,1,0,0|3,0,0]=4 855 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [0,0,0,1,0,0|3,0,0]=4 856 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [0,0,0,1,0,0|3,0,0]=4 857 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [0,0,0,1,0,0|3,0,0]=4 858 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-1995293557 [0,0,0,1,0,0|2,0,1]=4 859 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-9517253792 [0,0,0,1,0,0|2,0,1]=4 860 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-5659749587 [0,0,0,1,0,0|2,0,1]=4 861 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-9056303043 [0,0,0,1,0,0|2,0,1]=4 862 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-1224919034 [0,0,0,1,0,0|3,0,0]=4 863 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6003746665 [0,0,0,1,0,0|3,0,0]=4 864 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6937146715 [0,0,0,1,0,0|3,0,0]=4 865 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-9419881517 [0,0,0,1,0,0|3,0,0]=4 866 B8R1.1 N[C@@H]1CN[C@H](C1)CO MCULE-7916347231 [0,0,0,1,0,0|2,0,1]=4 867 B8R1.1 N[C@@H]1CN[C@H](C1)CO MCULE-8825406157 [0,0,0,1,0,0|2,0,1]=4 868 B8R1.1 N[C@H]1CN[C@@H](C1)CO MCULE-3649010281 [0,0,0,1,0,0|2,0,1]=4 869 B8R1.1 N[C@H]1CN[C@@H](C1)CO MCULE-5102365319 [0,0,0,1,0,0|2,0,1]=4 870 B8R1.1 N[C@H]1CN[C@@H](C1)CO MCULE-8268517033 [0,0,0,1,0,0|2,0,1]=4 871 B8R1.1 O=C1C=CC(O1)CBr MCULE-5454606396 [0,0,0,1,0,0|2,0,1]=4 872 B8R1.1 O=C1C=CC(O1)CO MCULE-4249850069 [0,0,0,1,0,0|1,0,1]=3 873 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-3027706549 [0,0,0,1,0,0|1,0,1]=3 874 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-5764400462 [0,0,0,1,0,0|1,0,1]=3 875 B8R1.1 O=C1CC(CN1)CO MCULE-8619053563 [0,0,0,1,0,0|3,0,0]=4 876 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [0,0,0,1,0,0|3,0,0]=4 877 B8R1.1 O=C1CCC(C1)CF MCULE-9077358027 [0,0,0,1,0,0|3,0,0]=4 878 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [0,0,0,1,0,0|2,0,0]=3 879 B8R1.1 O=C1CCC(N1)CBr MCULE-7024022934 [0,0,0,1,0,0|3,0,0]=4 880 B8R1.1 O=C1CCC(N1)CI MCULE-6956070937 [0,0,0,1,0,0|3,0,0]=4 881 B8R1.1 O=C1CCC(N1)CO MCULE-1498000761 [0,0,0,1,0,0|2,0,0]=3 882 B8R1.1 O=C1CCC(O1)CBr MCULE-9370722806 [0,0,0,1,0,0|2,0,0]=3 883 B8R1.1 O=C1CCC(O1)CCl MCULE-3199749385 [0,0,0,1,0,0|2,0,0]=3 884 B8R1.1 O=C1CCC(O1)CI MCULE-4432096360 [0,0,0,1,0,0|2,0,0]=3 885 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [0,0,0,1,0,0|1,0,0]=2 886 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [0,0,0,1,0,0|1,0,0]=2 887 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [0,0,0,1,0,0|2,0,0]=3 888 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [0,0,0,1,0,0|2,0,0]=3 889 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-4537645558 [0,0,0,1,0,0|3,0,0]=4 890 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-6830001458 [0,0,0,1,0,0|3,0,0]=4 891 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3021506643 [0,0,0,1,0,0|2,0,0]=3 892 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3659077476 [0,0,0,1,0,0|2,0,0]=3 893 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [0,0,0,1,0,0|1,0,0]=2 894 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [0,0,0,1,0,0|1,0,0]=2 895 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-1684731751 [0,0,0,1,0,0|3,0,0]=4 896 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-4479348379 [0,0,0,1,0,0|3,0,0]=4 897 B8R1.1 O=C1CC[C@H](N1)CO MCULE-4532009930 [0,0,0,1,0,0|2,0,0]=3 898 B8R1.1 O=C1CC[C@H](N1)CO MCULE-6466848372 [0,0,0,1,0,0|2,0,0]=3 899 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [0,0,0,1,0,0|1,0,0]=2 900 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [0,0,0,1,0,0|1,0,0]=2 901 B8R1.1 O=C1C[C@@H](CN1)CO MCULE-5572559100 [0,0,0,1,0,0|3,0,0]=4 902 B8R1.1 O=C1C[C@H](CN1)CO MCULE-4450345453 [0,0,0,1,0,0|3,0,0]=4 903 B8R1.1 O=C1N=C(NN1)CO MCULE-7949275954 [0,0,0,1,0,0|2,0,1]=4 904 B8R1.1 O=C1NC(CO1)CO MCULE-8296379772 [0,0,0,1,0,0|3,0,0]=4 905 B8R1.1 O=C1NC(CO1)CO MCULE-9797812862 [0,0,0,1,0,0|3,0,0]=4 906 B8R1.1 O=C1NCC(O1)CBr MCULE-3294572412 [0,0,0,1,0,0|3,0,0]=4 907 B8R1.1 O=C1NCC(O1)CCl MCULE-6711754093 [0,0,0,1,0,0|3,0,0]=4 908 B8R1.1 O=C1NCC(O1)CCl MCULE-6847066968 [0,0,0,1,0,0|3,0,0]=4 909 B8R1.1 O=C1NCC(O1)CO MCULE-8225938772 [0,0,0,1,0,0|2,0,0]=3 910 B8R1.1 O=C1NC[C@@H](O1)CCl MCULE-4606501061 [0,0,0,1,0,0|3,0,0]=4 911 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-4749906822 [0,0,0,1,0,0|2,0,0]=3 912 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-7879354917 [0,0,0,1,0,0|2,0,0]=3 913 B8R1.1 O=C1NC[C@H](O1)CCl MCULE-1912687608 [0,0,0,1,0,0|3,0,0]=4 914 B8R1.1 O=C1NC[C@H](O1)CO MCULE-2698871687 [0,0,0,1,0,0|2,0,0]=3 915 B8R1.1 O=C1NC[C@H](O1)CO MCULE-5771560221 [0,0,0,1,0,0|2,0,0]=3 916 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-2270288938 [0,0,0,1,0,0|3,0,0]=4 917 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-5533745846 [0,0,0,1,0,0|3,0,0]=4 918 B8R1.1 O=C1N[C@H](CO1)CO MCULE-3186572246 [0,0,0,1,0,0|3,0,0]=4 919 B8R1.1 O=C1N[C@H](CO1)CO MCULE-4534112642 [0,0,0,1,0,0|3,0,0]=4 920 B8R1.1 O=C1OCC(O1)CCl MCULE-7212643481 [0,0,0,1,0,0|3,0,0]=4 921 B8R1.1 O=C1OCC(O1)CF MCULE-2066386250 [0,0,0,1,0,0|3,0,0]=4 922 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [0,0,0,1,0,0|2,0,0]=3 923 B8R1.1 OC1COC(C1)CI MCULE-9241971646 [0,0,0,1,0,0|2,0,1]=4 924 B8R1.1 OCC1CC(CN1)F MCULE-6111724005 [0,0,0,1,0,0|2,0,1]=4 925 B8R1.1 OCC1CC(CN1)F MCULE-9466287708 [0,0,0,1,0,0|2,0,1]=4 926 B8R1.1 OCC1CC(CN1)O MCULE-1017614151 [0,0,0,1,0,0|1,0,2]=4 927 B8R1.1 OCC1CC(CN1)O MCULE-5049675085 [0,0,0,1,0,0|1,0,2]=4 928 B8R1.1 OCC1CC(CO1)O MCULE-4648895678 [0,0,0,1,0,0|2,0,1]=4 929 B8R1.1 OC[C@@H]1C[C@@H](CN1)F MCULE-2619594606 [0,0,0,1,0,0|2,0,1]=4 930 B8R1.1 OC[C@@H]1C[C@@H](CN1)F MCULE-3940168858 [0,0,0,1,0,0|2,0,1]=4 931 B8R1.1 OC[C@@H]1C[C@@H](CN1)F MCULE-6567372757 [0,0,0,1,0,0|2,0,1]=4 932 B8R1.1 OC[C@@H]1C[C@@H](CN1)O MCULE-2521610955 [0,0,0,1,0,0|1,0,2]=4 933 B8R1.1 OC[C@@H]1C[C@@H](CN1)O MCULE-3659134136 [0,0,0,1,0,0|1,0,2]=4 934 B8R1.1 OC[C@@H]1C[C@@H](CN1)O MCULE-8149895498 [0,0,0,1,0,0|1,0,2]=4 935 B8R1.1 OC[C@@H]1C[C@@H](CN1)O MCULE-9582350102 [0,0,0,1,0,0|1,0,2]=4 936 B8R1.1 OC[C@@H]1C[C@@H](CO1)O MCULE-7875239623 [0,0,0,1,0,0|2,0,1]=4 937 B8R1.1 OC[C@@H]1C[C@H](CN1)F MCULE-4754863670 [0,0,0,1,0,0|2,0,1]=4 938 B8R1.1 OC[C@@H]1C[C@H](CN1)F MCULE-4823692987 [0,0,0,1,0,0|2,0,1]=4 939 B8R1.1 OC[C@@H]1C[C@H](CN1)O MCULE-4908761192 [0,0,0,1,0,0|1,0,2]=4 940 B8R1.1 OC[C@@H]1C[C@H](CN1)O MCULE-5510339033 [0,0,0,1,0,0|1,0,2]=4 941 B8R1.1 OC[C@@H]1C[C@H](CN1)O MCULE-7612890329 [0,0,0,1,0,0|1,0,2]=4 942 B8R1.1 OC[C@@H]1C[C@H](CN1)O MCULE-8424913442 [0,0,0,1,0,0|1,0,2]=4 943 B8R1.1 OC[C@H]1C[C@@H](CN1)F MCULE-2106727383 [0,0,0,1,0,0|2,0,1]=4 944 B8R1.1 OC[C@H]1C[C@@H](CN1)F MCULE-3167425320 [0,0,0,1,0,0|2,0,1]=4 945 B8R1.1 OC[C@H]1C[C@@H](CN1)F MCULE-5656834651 [0,0,0,1,0,0|2,0,1]=4 946 B8R1.1 OC[C@H]1C[C@@H](CN1)F MCULE-9413584553 [0,0,0,1,0,0|2,0,1]=4 947 B8R1.1 OC[C@H]1C[C@@H](CN1)O MCULE-2855908983 [0,0,0,1,0,0|1,0,2]=4 948 B8R1.1 OC[C@H]1C[C@@H](CN1)O MCULE-5564885819 [0,0,0,1,0,0|1,0,2]=4 949 B8R1.1 OC[C@H]1C[C@@H](CN1)O MCULE-9276468823 [0,0,0,1,0,0|1,0,2]=4 950 B8R1.1 OC[C@H]1C[C@@H](CN1)O MCULE-9585503921 [0,0,0,1,0,0|1,0,2]=4 951 B8R1.1 OC[C@H]1C[C@@H](CO1)O MCULE-5801561749 [0,0,0,1,0,0|2,0,1]=4 952 B8R1.1 OC[C@H]1C[C@H](CN1)F MCULE-3583754715 [0,0,0,1,0,0|2,0,1]=4 953 B8R1.1 OC[C@H]1C[C@H](CN1)F MCULE-3654392017 [0,0,0,1,0,0|2,0,1]=4 954 B8R1.1 OC[C@H]1C[C@H](CN1)F MCULE-3959005096 [0,0,0,1,0,0|2,0,1]=4 955 B8R1.1 OC[C@H]1C[C@H](CN1)F MCULE-9542838904 [0,0,0,1,0,0|2,0,1]=4 956 B8R1.1 OC[C@H]1C[C@H](CN1)O MCULE-2099905531 [0,0,0,1,0,0|1,0,2]=4 957 B8R1.1 OC[C@H]1C[C@H](CN1)O MCULE-5693059049 [0,0,0,1,0,0|1,0,2]=4 958 B8R1.1 OC[C@H]1C[C@H](CN1)O MCULE-6004929736 [0,0,0,1,0,0|1,0,2]=4 959 B8R1.1 OC[C@H]1C[C@H](CN1)O MCULE-8607282785 [0,0,0,1,0,0|1,0,2]=4 960 B8R1.1 OC[C@H]1C[C@H](CO1)O MCULE-4197376814 [0,0,0,1,0,0|2,0,1]=4 961 B8R1.1 OC[C@H]1C[C@H](CO1)O MCULE-4573543387 [0,0,0,1,0,0|2,0,1]=4 962 B8R1.1 [C@H]1(CNC(=O)O1)CCl MCULE-6032247892 [0,0,0,1,0,0|3,0,0]=4 963 B8R1.1 [C@H]1(CN[C@@H](C1)CO)C MCULE-1910074067 [0,0,0,1,0,0|2,0,1]=4 964 B8R1.1 [C@H]1(CN[C@@H](C1)CO)C MCULE-9340203932 [0,0,0,1,0,0|2,0,1]=4 965 B8R1.1 [C@H]1(CN[C@@H](C1)CO)F MCULE-7089143816 [0,0,0,1,0,0|2,0,1]=4 966 B8R1.1 [C@H]1(C[C@H](CN1)F)CO MCULE-2231031404 [0,0,0,1,0,0|2,0,1]=4 967 B8R1.1 [C@H]1(C[C@H](CN1)F)CO MCULE-6096542902 [0,0,0,1,0,0|2,0,1]=4 968 B8R1.1 [C@H]1(C[C@H](CN1)N)CO MCULE-6496782896 [0,0,0,1,0,0|2,0,1]=4 969 B8R1.1 [C@H]1(C[C@H](CN1)O)CO MCULE-4041584401 [0,0,0,1,0,0|1,0,2]=4 970 B8R1.1 [C@H]1(C[C@H](CN1)O)CO MCULE-9607072956 [0,0,0,1,0,0|1,0,2]=4 971 B8R1.2 BrCC1COCCO1 MCULE-5294427682 [0,0,0,1,0,0|2,0,1]=4 972 B8R1.2 BrC[C@@H]1COCCO1 MCULE-4849633409 [0,0,0,1,0,0|2,0,1]=4 973 B8R1.2 C1(CCCOC1)CN MCULE-9009856435 [0,0,0,1,0,0|2,0,1]=4 974 B8R1.2 C1(COCCO1)CN MCULE-3098204775 [0,0,0,1,0,0|1,0,1]=3 975 B8R1.2 C1(COCCO1)CN MCULE-7024108523 [0,0,0,1,0,0|1,0,1]=3 976 B8R1.2 ClCC1COCCO1 MCULE-5491048081 [0,0,0,1,0,0|2,0,1]=4 977 B8R1.2 ICC1COCCO1 MCULE-1992463610 [0,0,0,1,0,0|2,0,1]=4 978 B8R1.2 N#CC1=COCCO1 MCULE-5964511526 [0,0,0,1,0,0|1,0,2]=4 979 B8R1.2 NCC1=CCCCC1 MCULE-3951635533 [0,0,0,1,0,0|3,0,0]=4 980 B8R1.2 NCC1=CCCCC1 MCULE-4923330324 [0,0,0,1,0,0|3,0,0]=4 981 B8R1.2 NCC1=CCCOC1 MCULE-1828364688 [0,0,0,1,0,0|2,0,0]=3 982 B8R1.2 NCC1=CCCOC1 MCULE-8439895783 [0,0,0,1,0,0|2,0,0]=3 983 B8R1.2 NCC1=NCCCN1 MCULE-3240095476 [0,0,0,1,0,0|3,0,0]=4 984 B8R1.2 NCC1=NCCCN1 MCULE-7557068134 [0,0,0,1,0,0|3,0,0]=4 985 B8R1.2 NCC1CCCCO1 MCULE-2644735894 [0,0,0,1,0,0|2,0,1]=4 986 B8R1.2 NCC1CCCCO1 MCULE-5042678896 [0,0,0,1,0,0|2,0,1]=4 987 B8R1.2 NCC1CCCOC1 MCULE-2859652493 [0,0,0,1,0,0|2,0,1]=4 988 B8R1.2 NCC1CCCOC1 MCULE-5411442728 [0,0,0,1,0,0|2,0,1]=4 989 B8R1.2 NCC1CCCOC1 MCULE-6616131288 [0,0,0,1,0,0|2,0,1]=4 990 B8R1.2 NCC1CCCOC1 MCULE-9893994601 [0,0,0,1,0,0|2,0,1]=4 991 B8R1.2 NCC1CNCCO1 MCULE-4362254656 [0,0,0,1,0,0|2,0,1]=4 992 B8R1.2 NCC1CNCCO1 MCULE-9062864656 [0,0,0,1,0,0|2,0,1]=4 993 B8R1.2 NCC1COCCN1 MCULE-2617141258 [0,0,0,1,0,0|2,0,1]=4 994 B8R1.2 NCC1COCCN1 MCULE-5931201215 [0,0,0,1,0,0|2,0,1]=4 995 B8R1.2 NCC1COCCO1 MCULE-1612004893 [0,0,0,1,0,0|1,0,1]=3 996 B8R1.2 NCC1COCCO1 MCULE-9278150730 [0,0,0,1,0,0|1,0,1]=3 997 B8R1.2 NCC1OCCCO1 MCULE-8138335107 [0,0,0,1,0,0|1,0,2]=4 998 B8R1.2 NC[C@@H]1CCCCO1 MCULE-1435985280 [0,0,0,1,0,0|2,0,1]=4 999 B8R1.2 NC[C@@H]1CCCCO1 MCULE-4778440271 [0,0,0,1,0,0|2,0,1]=4 1000 B8R1.2 NC[C@@H]1CCCCO1 MCULE-6014338525 [0,0,0,1,0,0|2,0,1]=4 1001 B8R1.2 NC[C@@H]1CCCCO1 MCULE-9488694680 [0,0,0,1,0,0|2,0,1]=4 1002 B8R1.2 NC[C@@H]1CCCOC1 MCULE-5314997557 [0,0,0,1,0,0|2,0,1]=4 1003 B8R1.2 NC[C@@H]1CCCOC1 MCULE-5553412637 [0,0,0,1,0,0|2,0,1]=4 1004 B8R1.2 NC[C@@H]1CCCOC1 MCULE-6349833867 [0,0,0,1,0,0|2,0,1]=4 1005 B8R1.2 NC[C@@H]1CCCOC1 MCULE-6463109886 [0,0,0,1,0,0|2,0,1]=4 1006 B8R1.2 NC[C@@H]1COCCO1 MCULE-2337005422 [0,0,0,1,0,0|1,0,1]=3 1007 B8R1.2 NC[C@@H]1COCCO1 MCULE-5052227155 [0,0,0,1,0,0|1,0,1]=3 1008 B8R1.2 NC[C@@H]1COCCO1 MCULE-5182478394 [0,0,0,1,0,0|1,0,1]=3 1009 B8R1.2 NC[C@@H]1COCCO1 MCULE-9731790782 [0,0,0,1,0,0|1,0,1]=3 1010 B8R1.2 NC[C@H]1CCCCO1 MCULE-2835389541 [0,0,0,1,0,0|2,0,1]=4 1011 B8R1.2 NC[C@H]1CCCCO1 MCULE-4500797236 [0,0,0,1,0,0|2,0,1]=4 1012 B8R1.2 NC[C@H]1CCCCO1 MCULE-5990717573 [0,0,0,1,0,0|2,0,1]=4 1013 B8R1.2 NC[C@H]1CCCCO1 MCULE-7362278601 [0,0,0,1,0,0|2,0,1]=4 1014 B8R1.2 NC[C@H]1CCCOC1 MCULE-1996808023 [0,0,0,1,0,0|2,0,1]=4 1015 B8R1.2 NC[C@H]1CCCOC1 MCULE-8044635428 [0,0,0,1,0,0|2,0,1]=4 1016 B8R1.2 NC[C@H]1CCCOC1 MCULE-8246511133 [0,0,0,1,0,0|2,0,1]=4 1017 B8R1.2 NC[C@H]1CCCOC1 MCULE-8378816563 [0,0,0,1,0,0|2,0,1]=4 1018 B8R1.2 NC[C@H]1COCCO1 MCULE-1148680339 [0,0,0,1,0,0|1,0,1]=3 1019 B8R1.2 NC[C@H]1COCCO1 MCULE-6244775356 [0,0,0,1,0,0|1,0,1]=3 1020 B8R1.2 NC[C@H]1COCCO1 MCULE-6383517047 [0,0,0,1,0,0|1,0,1]=3 1021 B8R1.2 NC[C@H]1COCCO1 MCULE-9768281737 [0,0,0,1,0,0|1,0,1]=3 1022 B8R1.2 O=CC1=COCCO1 MCULE-4502742368 [0,0,0,1,0,0|2,0,1]=4 1023 B8R1.2 OCC1=CCCCO1 MCULE-1995059172 [0,0,0,1,0,0|3,0,0]=4 1024 B8R1.2 OCC1=CCCOC1 MCULE-5407184933 [0,0,0,1,0,0|3,0,0]=4 1025 B8R1.2 OCC1=NOCCC1 MCULE-7754725295 [0,0,0,1,0,0|3,0,0]=4 1026 B8R1.2 OCC1COCCO1 MCULE-3788845525 [0,0,0,1,0,0|2,0,1]=4 1027 B8R1.2 OCC1COCCO1 MCULE-5558091087 [0,0,0,1,0,0|2,0,1]=4 1028 B8R1.2 OC[C@@H]1COCCO1 MCULE-5847134890 [0,0,0,1,0,0|2,0,1]=4 1029 B8R1.2 OC[C@@H]1COCCO1 MCULE-6096501847 [0,0,0,1,0,0|2,0,1]=4 1030 B8R1.2 OC[C@H]1COCCO1 MCULE-1373070349 [0,0,0,1,0,0|2,0,1]=4 1031 B8R1.2 OC[C@H]1COCCO1 MCULE-9271539014 [0,0,0,1,0,0|2,0,1]=4 1032 B8R1.3 C1(CNC(=O)CN1)C MCULE-9891046463 [0,0,0,1,0,0|2,0,0]=3 1033 B8R1.3 CC1CCC(=O)CC1 MCULE-5534475096 [0,0,0,1,0,0|3,0,0]=4 1034 B8R1.3 CC1CCC(=O)CC1 MCULE-9038467737 [0,0,0,1,0,0|3,0,0]=4 1035 B8R1.3 CC1CCC(=O)CN1 MCULE-1285022466 [0,0,0,1,0,0|2,0,0]=3 1036 B8R1.3 CC1CCC(=O)CN1 MCULE-9314433387 [0,0,0,1,0,0|2,0,0]=3 1037 B8R1.3 CC1CCC(=O)CO1 MCULE-8334906567 [0,0,0,1,0,0|3,0,0]=4 1038 B8R1.3 CC1CCC(=O)CS1 MCULE-9188619559 [0,0,0,1,0,0|3,0,0]=4 1039 B8R1.3 CC1CCC(=O)NC1 MCULE-1307751847 [0,0,0,1,0,0|3,0,0]=4 1040 B8R1.3 CC1CCC(CO1)O MCULE-8416383333 [0,0,0,1,0,0|2,0,1]=4 1041 B8R1.3 CC1CNC(=O)CN1 MCULE-2050820306 [0,0,0,1,0,0|2,0,0]=3 1042 B8R1.3 CC1CNC(=O)CN1 MCULE-9509469557 [0,0,0,1,0,0|2,0,0]=3 1043 B8R1.3 CC1CNC(=O)CO1 MCULE-6817757578 [0,0,0,1,0,0|3,0,0]=4 1044 B8R1.3 CC1COC(=O)OC1 MCULE-6795228051 [0,0,0,1,0,0|3,0,0]=4 1045 B8R1.3 CC1COC(CN1)C MCULE-4975068364 [0,0,0,1,0,0|2,0,1]=4 1046 B8R1.3 CC1COC(CN1)C MCULE-6443209935 [0,0,0,1,0,0|2,0,1]=4 1047 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-4693797730 [0,0,0,1,0,0|2,0,0]=3 1048 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-5991774380 [0,0,0,1,0,0|2,0,0]=3 1049 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-6484213897 [0,0,0,1,0,0|2,0,0]=3 1050 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-7346191190 [0,0,0,1,0,0|2,0,0]=3 1051 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1088991552 [0,0,0,1,0,0|2,0,0]=3 1052 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1952714815 [0,0,0,1,0,0|2,0,0]=3 1053 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-3350871833 [0,0,0,1,0,0|2,0,0]=3 1054 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-9637742350 [0,0,0,1,0,0|2,0,0]=3 1055 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7192421297 [0,0,0,1,0,0|3,0,0]=4 1056 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7394512903 [0,0,0,1,0,0|3,0,0]=4 1057 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1103945502 [0,0,0,1,0,0|2,0,1]=4 1058 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1391537108 [0,0,0,1,0,0|2,0,1]=4 1059 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1946095385 [0,0,0,1,0,0|2,0,1]=4 1060 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-4549349129 [0,0,0,1,0,0|2,0,1]=4 1061 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-6334939841 [0,0,0,1,0,0|2,0,0]=3 1062 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-8476307649 [0,0,0,1,0,0|2,0,0]=3 1063 B8R1.3 C[C@H]1CCC(=O)NC1 MCULE-5712112445 [0,0,0,1,0,0|3,0,0]=4 1064 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-3373819559 [0,0,0,1,0,0|2,0,0]=3 1065 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-4486681671 [0,0,0,1,0,0|2,0,0]=3 1066 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-7180229103 [0,0,0,1,0,0|2,0,0]=3 1067 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-9466864223 [0,0,0,1,0,0|2,0,0]=3 1068 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-6169535590 [0,0,0,1,0,0|3,0,0]=4 1069 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-8876635175 [0,0,0,1,0,0|3,0,0]=4 1070 B8R1.3 C[C@H]1CN[C@@H](CO1)C MCULE-4621250808 [0,0,0,1,0,0|2,0,1]=4 1071 B8R1.3 C[C@H]1CN[C@@H](CO1)C MCULE-7331563103 [0,0,0,1,0,0|2,0,1]=4 1072 B8R1.3 C[C@H]1CO[C@@H](CN1)C MCULE-5045303209 [0,0,0,1,0,0|2,0,1]=4 1073 B8R1.3 C[C@H]1CO[C@@H](CN1)C MCULE-8352332219 [0,0,0,1,0,0|2,0,1]=4 1074 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-1410633938 [0,0,0,1,0,0|2,0,1]=4 1075 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-1498993915 [0,0,0,1,0,0|2,0,1]=4 1076 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-3545205619 [0,0,0,1,0,0|2,0,1]=4 1077 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-5064602423 [0,0,0,1,0,0|2,0,1]=4 1078 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-5773597642 [0,0,0,1,0,0|2,0,1]=4 1079 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-6073716335 [0,0,0,1,0,0|2,0,1]=4 1080 B8R1.3 NC1CCC(=O)CC1 MCULE-5825363145 [0,0,0,1,0,0|3,0,0]=4 1081 B8R1.3 NC1CCC(=O)CC1 MCULE-6212878324 [0,0,0,1,0,0|3,0,0]=4 1082 B8R1.3 NC1CCC(=O)NC1 MCULE-2677675224 [0,0,0,1,0,0|3,0,0]=4 1083 B8R1.3 NC1CCC(=O)NC1 MCULE-8711968877 [0,0,0,1,0,0|3,0,0]=4 1084 B8R1.3 NC1CCC(=O)NC1 MCULE-8915391016 [0,0,0,1,0,0|3,0,0]=4 1085 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-5372893548 [0,0,0,1,0,0|3,0,0]=4 1086 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6411408704 [0,0,0,1,0,0|3,0,0]=4 1087 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6771263407 [0,0,0,1,0,0|3,0,0]=4 1088 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-9035818807 [0,0,0,1,0,0|3,0,0]=4 1089 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-1921494480 [0,0,0,1,0,0|3,0,0]=4 1090 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-4843708987 [0,0,0,1,0,0|3,0,0]=4 1091 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-6599794889 [0,0,0,1,0,0|3,0,0]=4 1092 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-7112568050 [0,0,0,1,0,0|3,0,0]=4 1093 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9053885307 [0,0,0,1,0,0|3,0,0]=4 1094 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9780118077 [0,0,0,1,0,0|3,0,0]=4 1095 B8R1.3 O=C1C=CC(OC1)O MCULE-1206409270 [0,0,0,1,0,0|2,0,1]=4 1096 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,0,0,1,0,0|1,0,2]=4 1097 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,0,0,1,0,0|1,0,2]=4 1098 B8R1.3 O=C1CCC(CC1)Br MCULE-1177789896 [0,0,0,1,0,0|3,0,0]=4 1099 B8R1.3 O=C1CCC(CC1)Cl MCULE-3647406761 [0,0,0,1,0,0|3,0,0]=4 1100 B8R1.3 O=C1CCC(CC1)F MCULE-5757540710 [0,0,0,1,0,0|3,0,0]=4 1101 B8R1.3 O=C1CCC(CC1)O MCULE-7247867750 [0,0,0,1,0,0|2,0,0]=3 1102 B8R1.3 O=C1CCC(CN1)F MCULE-1848493447 [0,0,0,1,0,0|3,0,0]=4 1103 B8R1.3 O=C1CCC(CN1)O MCULE-4501886280 [0,0,0,1,0,0|2,0,0]=3 1104 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,0,0,1,0,0|1,0,0]=2 1105 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-3426407148 [0,0,0,1,0,0|2,0,0]=3 1106 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-9592320749 [0,0,0,1,0,0|2,0,0]=3 1107 B8R1.3 O=C1CC[C@H](CN1)O MCULE-1500705916 [0,0,0,1,0,0|2,0,0]=3 1108 B8R1.3 O=C1CC[C@H](CN1)O MCULE-9578240246 [0,0,0,1,0,0|2,0,0]=3 1109 B8R1.3 O=C1CNC(=O)CN1 MCULE-7134033861 [0,0,0,1,0,0|1,0,2]=4 1110 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,1,0,0|0,0,2]=3 1111 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,0,0,1,0,0|1,0,2]=4 1112 B8R1.3 O=C1NCC(CN1)O MCULE-7019603243 [0,0,0,1,0,0|3,0,0]=4 1113 B8R1.3 O=S1CCC(CC1)O MCULE-7693506009 [0,0,0,1,0,0|3,0,0]=4 1114 B8R1.3 OC1COC(CO1)O MCULE-6794444946 [0,0,0,1,0,0|1,0,2]=4 1115 B8R1.3 [C@@H]1(CN[C@@H](CO1)C)C MCULE-3712952908 [0,0,0,1,0,0|2,0,1]=4 1116 B8R1.5 CC1CCCCC1=O MCULE-6363555535 [0,0,0,1,0,0|3,0,0]=4 1117 B8R1.5 CC1CCCNC1=O MCULE-5295531632 [0,0,0,1,0,0|3,0,0]=4 1118 B8R1.5 CC1CCCOC1=O MCULE-5926029136 [0,0,0,1,0,0|2,0,0]=3 1119 B8R1.5 CC1NCCCC1=O MCULE-1303642695 [0,0,0,1,0,0|3,0,0]=4 1120 B8R1.5 CC1NCCCC1=O MCULE-6618358169 [0,0,0,1,0,0|3,0,0]=4 1121 B8R1.5 CC1NCCNC1=O MCULE-3078767867 [0,0,0,1,0,0|3,0,0]=4 1122 B8R1.5 CC1NCCNC1=O MCULE-9884862705 [0,0,0,1,0,0|3,0,0]=4 1123 B8R1.5 CC1OCCNC1=O MCULE-8812176499 [0,0,0,1,0,0|2,0,0]=3 1124 B8R1.5 CC1SCCCC1=O MCULE-7641066964 [0,0,0,1,0,0|2,1,0]=4 1125 B8R1.5 CC1SCCNC1=O MCULE-1825894745 [0,0,0,1,0,0|2,1,0]=4 1126 B8R1.5 C[C@@H]1NCCNC1=O MCULE-1719923601 [0,0,0,1,0,0|3,0,0]=4 1127 B8R1.5 C[C@@H]1NCCNC1=O MCULE-3211216058 [0,0,0,1,0,0|3,0,0]=4 1128 B8R1.5 C[C@@H]1NCCNC1=O MCULE-4268624973 [0,0,0,1,0,0|3,0,0]=4 1129 B8R1.5 C[C@H]1NCCNC1=O MCULE-1350777729 [0,0,0,1,0,0|3,0,0]=4 1130 B8R1.5 C[C@H]1NCCNC1=O MCULE-3433713206 [0,0,0,1,0,0|3,0,0]=4 1131 B8R1.5 C[C@H]1NCCNC1=O MCULE-6014092524 [0,0,0,1,0,0|3,0,0]=4 1132 B8R1.5 ClC1OCCOC1Cl MCULE-9705161891 [0,0,0,1,0,0|2,0,1]=4 1133 B8R1.5 Cl[C@@H]1OCCO[C@H]1Cl MCULE-8812352258 [0,0,0,1,0,0|2,0,1]=4 1134 B8R1.5 Cl[C@@H]1OCCO[C@H]1Cl MCULE-9919063070 [0,0,0,1,0,0|2,0,1]=4 1135 B8R1.5 Cl[C@H]1OCCO[C@@H]1Cl MCULE-2848145524 [0,0,0,1,0,0|2,0,1]=4 1136 B8R1.5 NC1CCCCC1=O MCULE-2382898926 [0,0,0,1,0,0|2,0,0]=3 1137 B8R1.5 NC1CCCCC1=O MCULE-9230455128 [0,0,0,1,0,0|2,0,0]=3 1138 B8R1.5 NC1CCCNC1=O MCULE-2560564171 [0,0,0,1,0,0|2,0,0]=3 1139 B8R1.5 NC1CCCNC1=O MCULE-4494449620 [0,0,0,1,0,0|2,0,0]=3 1140 B8R1.5 NC1CCCNC1=O MCULE-7473475906 [0,0,0,1,0,0|2,0,0]=3 1141 B8R1.5 NC1CCCNC1=O MCULE-8288645102 [0,0,0,1,0,0|2,0,0]=3 1142 B8R1.5 NC1COCCC1=O MCULE-2621905094 [0,0,0,1,0,0|3,0,0]=4 1143 B8R1.5 NC1COCCC1=O MCULE-5417580672 [0,0,0,1,0,0|3,0,0]=4 1144 B8R1.5 NN1CCCCC1=O MCULE-3663308028 [0,0,0,1,0,0|3,0,0]=4 1145 B8R1.5 NN1CCCCC1=O MCULE-9929233745 [0,0,0,1,0,0|3,0,0]=4 1146 B8R1.5 NN1CCCNC1=O MCULE-1690172508 [0,0,0,1,0,0|3,0,0]=4 1147 B8R1.5 NN1CCCOC1=O MCULE-6942418314 [0,0,0,1,0,0|2,0,0]=3 1148 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2058435105 [0,0,0,1,0,0|2,0,0]=3 1149 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2444659445 [0,0,0,1,0,0|2,0,0]=3 1150 B8R1.5 N[C@@H]1CCCNC1=O MCULE-3005560472 [0,0,0,1,0,0|2,0,0]=3 1151 B8R1.5 N[C@@H]1CCCNC1=O MCULE-6935410876 [0,0,0,1,0,0|2,0,0]=3 1152 B8R1.5 N[C@H]1CCCNC1=O MCULE-1247931890 [0,0,0,1,0,0|2,0,0]=3 1153 B8R1.5 N[C@H]1CCCNC1=O MCULE-2425510086 [0,0,0,1,0,0|2,0,0]=3 1154 B8R1.5 N[C@H]1CCCNC1=O MCULE-6121950966 [0,0,0,1,0,0|2,0,0]=3 1155 B8R1.5 N[C@H]1CCCNC1=O MCULE-7701042199 [0,0,0,1,0,0|2,0,0]=3 1156 B8R1.5 O=C1CCCCC1Br MCULE-9356057483 [0,0,0,1,0,0|3,0,0]=4 1157 B8R1.5 O=C1CCCCC1Cl MCULE-1580566298 [0,0,0,1,0,0|3,0,0]=4 1158 B8R1.5 O=C1CCCCC1F MCULE-6406930837 [0,0,0,1,0,0|3,0,0]=4 1159 B8R1.5 O=C1CCCCC1O MCULE-7509366699 [0,0,0,1,0,0|3,0,0]=4 1160 B8R1.5 O=C1NCCCC1Br MCULE-1860833784 [0,0,0,1,0,0|3,0,0]=4 1161 B8R1.5 O=C1NCCCC1O MCULE-4922755542 [0,0,0,1,0,0|3,0,0]=4 1162 B8R1.5 O=C1NCCC[C@@H]1O MCULE-2813817931 [0,0,0,1,0,0|3,0,0]=4 1163 B8R1.5 O=C1NCCC[C@@H]1O MCULE-3354550946 [0,0,0,1,0,0|3,0,0]=4 1164 B8R1.5 O=C1NCCC[C@H]1O MCULE-2892218765 [0,0,0,1,0,0|3,0,0]=4 1165 B8R1.5 O=C1NCCC[C@H]1O MCULE-8394704933 [0,0,0,1,0,0|3,0,0]=4 1166 B8R1.5 O=C1NCCOC1=O MCULE-5092732656 [0,0,0,1,0,0|2,0,1]=4 1167 B8R1.5 O=C1OCCC=C1Br MCULE-6619697801 [0,0,0,1,0,0|2,0,1]=4 1168 B8R1.5 O=C1OCCCC1Br MCULE-4407787541 [0,0,0,1,0,0|2,0,0]=3 1169 B8R1.5 O=C1OCCCC1O MCULE-3021418071 [0,0,0,1,0,0|2,0,0]=3 1170 B8R1.5 OC1OCCOC1O MCULE-9891879099 [0,0,0,1,0,0|1,0,2]=4 1171 B8R1.10 CCCOC1CNC1 MCULE-3244679891 [0,0,0,1,0,0|2,0,1]=4 1172 B8R1.10 CCCOC1CNC1 MCULE-7869061148 [0,0,0,1,0,0|2,0,1]=4 1173 B8R1.10 CCCOC1CNC1 MCULE-8082413973 [0,0,0,1,0,0|2,0,1]=4 1174 B8R1.10 FCCOC1CNC1 MCULE-3209217745 [0,0,0,1,0,0|2,0,1]=4 1175 B8R1.10 FCCOC1CNC1 MCULE-6526418420 [0,0,0,1,0,0|2,0,1]=4 1176 B8R1.10 FCCOC1CNC1 MCULE-6872713188 [0,0,0,1,0,0|2,0,1]=4 1177 B8R1.10 OCCCC1CNC1 MCULE-3148309334 [0,0,0,1,0,0|2,0,1]=4 1178 B8R1.10 OCCCC1CNC1 MCULE-6271488170 [0,0,0,1,0,0|2,0,1]=4 1179 B8R1.10 OCCOC1CCC1 MCULE-9865514831 [0,0,0,1,0,0|2,0,1]=4 1180 B8R1.10 OCCOC1CNC1 MCULE-4520434054 [0,0,0,1,0,0|1,0,1]=3 1181 B8R1.10 OCCOC1COC1 MCULE-5831415119 [0,0,0,1,0,0|2,0,1]=4 1182 B8R1.13 CCCC1CCC1=O MCULE-7626165824 [0,0,0,1,0,0|3,0,0]=4 1183 B8R1.13 O=C1CCC1CCCl MCULE-1577834742 [0,0,0,1,0,0|3,0,0]=4 1184 B8R1.22 CC1CNCCCO1 MCULE-6836650488 [0,0,0,1,0,0|2,0,1]=4 1185 B8R1.22 CC1CNCCCO1 MCULE-8246520743 [0,0,0,1,0,0|2,0,1]=4 1186 B8R1.22 O=C1CCCCCC1 MCULE-3507111924 [0,0,0,1,0,0|3,0,0]=4 1187 B8R1.22 O=C1CCCCCN1 MCULE-4544579564 [0,0,0,1,0,0|3,0,0]=4 1188 B8R1.22 O=C1CCCCCO1 MCULE-3051096014 [0,0,0,1,0,0|2,0,0]=3 1189 B8R1.22 O=C1CCCCNC1 MCULE-8257380915 [0,0,0,1,0,0|2,0,0]=3 1190 B8R1.22 O=C1CCCCNC1 MCULE-8344538815 [0,0,0,1,0,0|2,0,0]=3 1191 B8R1.22 O=C1CCCNCC1 MCULE-3201401906 [0,0,0,1,0,0|3,0,0]=4 1192 B8R1.22 O=C1CCCNCC1 MCULE-8264253371 [0,0,0,1,0,0|3,0,0]=4 1193 B8R1.22 O=C1CCCOCC1 MCULE-9595066384 [0,0,0,1,0,0|2,0,0]=3 1194 B8R1.22 O=C1CCCSCC1 MCULE-9359592851 [0,0,0,1,0,0|2,1,0]=4 1195 B8R1.22 O=C1CCNCCN1 MCULE-1678306131 [0,0,0,1,0,0|3,0,0]=4 1196 B8R1.22 O=C1CCNCCN1 MCULE-1867860146 [0,0,0,1,0,0|3,0,0]=4 1197 B8R1.22 O=C1CCOCCN1 MCULE-6881734685 [0,0,0,1,0,0|2,0,0]=3 1198 B8R1.22 O=C1CCOCCO1 MCULE-1433837187 [0,0,0,1,0,0|1,0,0]=2 1199 B8R1.22 O=C1CCSCCN1 MCULE-9445131358 [0,0,0,1,0,0|2,1,0]=4 1200 B8R1.22 O=C1CNCCCN1 MCULE-6106237928 [0,0,0,1,0,0|2,0,0]=3 1201 B8R1.22 O=C1CNCCCN1 MCULE-9943393784 [0,0,0,1,0,0|2,0,0]=3 1202 B8R1.22 O=C1CNCCNC1 MCULE-2450825992 [0,0,0,1,0,0|3,0,0]=4 1203 B8R1.22 O=C1CNCCNC1 MCULE-7379420394 [0,0,0,1,0,0|3,0,0]=4 1204 B8R1.22 O=C1CNCCOC1 MCULE-7546546158 [0,0,0,1,0,0|3,0,0]=4 1205 B8R1.22 O=C1CNCCOC1 MCULE-9183427962 [0,0,0,1,0,0|3,0,0]=4 1206 B8R1.22 O=C1COCCCN1 MCULE-1471963909 [0,0,0,1,0,0|3,0,0]=4 1207 B8R1.22 O=C1OCCCCO1 MCULE-1107419276 [0,0,0,1,0,0|3,0,0]=4 1208 B8R1.38 CCC(=O)C1CCC1 MCULE-2054282062 [0,0,0,1,0,0|3,0,0]=4 1209 B8R1.38 COC(=O)C1CCO1 MCULE-7860079290 [0,0,0,1,0,0|3,0,0]=4 1210 B8R1.38 NCC(=O)C1CCC1 MCULE-2102604629 [0,0,0,1,0,0|2,0,0]=3 1211 B8R1.38 NCC(=O)C1CCC1 MCULE-5571071703 [0,0,0,1,0,0|2,0,0]=3 1212 B8R1.38 NCC(=O)N1CCC1 MCULE-3850014745 [0,0,0,1,0,0|2,0,0]=3 1213 B8R1.38 NNC(=O)C1CCC1 MCULE-3104625459 [0,0,0,1,0,0|3,0,0]=4 1214 B8R1.38 O=C(CBr)C1CCC1 MCULE-7056136632 [0,0,0,1,0,0|3,0,0]=4 1215 B8R1.38 O=C(CBr)N1CCC1 MCULE-2341003437 [0,0,0,1,0,0|3,0,0]=4 1216 B8R1.38 O=C(CCl)C1CCC1 MCULE-9286559827 [0,0,0,1,0,0|3,0,0]=4 1217 B8R1.38 O=C(CCl)N1CCC1 MCULE-1485330958 [0,0,0,1,0,0|3,0,0]=4 1218 B8R1.40 CCC(=O)CC1CC1 MCULE-7991524982 [0,0,0,1,0,0|3,0,0]=4 1219 B8R1.40 COC(=O)CC1CO1 MCULE-1978729257 [0,0,0,1,0,0|3,0,0]=4 1220 B8R1.40 COC(=O)C[C@@H]1CO1 MCULE-5425441463 [0,0,0,1,0,0|3,0,0]=4 1221 B8R1.40 NCC(=O)CC1CC1 MCULE-2543196441 [0,0,0,1,0,0|2,0,0]=3 1222 B8R1.40 NCC(=O)CC1CC1 MCULE-5112659326 [0,0,0,1,0,0|2,0,0]=3 1223 B8R1.40 NCC(=O)NC1CC1 MCULE-2762684805 [0,0,0,1,0,0|2,0,0]=3 1224 B8R1.40 NCC(=O)NC1CC1 MCULE-4322562048 [0,0,0,1,0,0|2,0,0]=3 1225 B8R1.40 NCC(=O)OC1CC1 MCULE-9881697631 [0,0,0,1,0,0|1,0,0]=2 1226 B8R1.40 NNC(=O)CC1CC1 MCULE-5050226429 [0,0,0,1,0,0|3,0,0]=4 1227 B8R1.40 NNC(=O)NC1CC1 MCULE-4098919000 [0,0,0,1,0,0|3,0,0]=4 1228 B8R1.40 O=C(CBr)CC1CC1 MCULE-2483365582 [0,0,0,1,0,0|3,0,0]=4 1229 B8R1.40 O=C(CBr)NC1CC1 MCULE-4062220255 [0,0,0,1,0,0|3,0,0]=4 1230 B8R1.40 O=C(CCl)NC1CC1 MCULE-3538029068 [0,0,0,1,0,0|3,0,0]=4 1231 B8R1.40 O=C(CO)NC1CC1 MCULE-8403900056 [0,0,0,1,0,0|3,0,0]=4 1232 B8R1.40 O=C(CS)NC1CC1 MCULE-1359704742 [0,0,0,1,0,0|3,0,0]=4 1233 B8R1.47 NCC1CC(C1)CO MCULE-5012949238 [0,0,0,1,0,0|2,0,1]=4 1234 B8R1.47 NCC1CC(C1)CO MCULE-7199790178 [0,0,0,1,0,0|2,0,1]=4 1235 B8R1.47 NC[C@H]1C[C@@H](C1)CO MCULE-3562556540 [0,0,0,1,0,0|2,0,1]=4 1236 B8R1.47 NC[C@H]1C[C@@H](C1)CO MCULE-7456554862 [0,0,0,1,0,0|2,0,1]=4 1237 B8R1.47 NC[C@H]1C[C@H](C1)CO MCULE-5103568519 [0,0,0,1,0,0|2,0,1]=4 1238 B8R1.47 NC[C@H]1C[C@H](C1)CO MCULE-5155041811 [0,0,0,1,0,0|2,0,1]=4 1239 B8R1.50 CC1=C(COC1=O)O MCULE-4822806082 [0,0,0,1,0,0|1,0,2]=4 1240 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,0,0,1,0,0|1,0,2]=4 1241 B8R1.50 CC1CNC(=O)C1C MCULE-7439537346 [0,0,0,1,0,0|3,0,0]=4 1242 B8R1.50 CN1C(=O)CCC1O MCULE-1070053575 [0,0,0,1,0,0|3,0,0]=4 1243 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O MCULE-6840872048 [0,0,0,1,0,0|1,0,0]=2 1244 B8R1.50 O=C1COC(=O)C1Br MCULE-7458581655 [0,0,0,1,0,0|1,0,2]=4 1245 B8R1.50 O=C1COC(=O)C1Cl MCULE-1326411169 [0,0,0,1,0,0|1,0,2]=4 1246 B8R1.50 O=C1OCC(=C1Br)O MCULE-3463044896 [0,0,0,1,0,0|1,0,2]=4 1247 B8R1.50 O=C1OCC(C1O)O MCULE-9766741798 [0,0,0,1,0,0|1,0,0]=2 1248 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-5447777048 [0,0,0,1,0,0|1,0,0]=2 1249 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-8691985034 [0,0,0,1,0,0|1,0,0]=2 1250 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O MCULE-8629460196 [0,0,0,1,0,0|1,0,0]=2 1251 B8R1.50 O=C1OC[C@@H]([C@H]1O)O MCULE-7303431003 [0,0,0,1,0,0|1,0,0]=2 1252 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-4704805755 [0,0,0,1,0,0|1,0,0]=2 1253 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7070309718 [0,0,0,1,0,0|1,0,0]=2 1254 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7824820688 [0,0,0,1,0,0|1,0,0]=2 1255 B8R1.50 OC1COC(C1O)O MCULE-2562953459 [0,0,0,1,0,0|1,0,2]=4 1256 B8R1.50 OC1OC[C@@H]([C@H]1O)O MCULE-4484765937 [0,0,0,1,0,0|1,0,2]=4 1257 B8R1.50 OC1OC[C@H]([C@@H]1O)O MCULE-4663451850 [0,0,0,1,0,0|1,0,2]=4 1258 B8R1.52 CC1(CCCO1)CN MCULE-2071513677 [0,0,0,1,0,0|2,0,1]=4 1259 B8R1.52 CC1(CCCO1)CN MCULE-4256725320 [0,0,0,1,0,0|2,0,1]=4 1260 B8R1.52 CC1(OCCO1)CBr MCULE-9830498681 [0,0,0,1,0,0|2,0,1]=4 1261 B8R1.52 CC1(OCCO1)CN MCULE-3474180080 [0,0,0,1,0,0|1,0,1]=3 1262 B8R1.52 CC1(OCCO1)CO MCULE-7424031624 [0,0,0,1,0,0|2,0,1]=4 1263 B8R1.52 CCC1(OCCO1)C MCULE-9351595144 [0,0,0,1,0,0|2,0,1]=4 1264 B8R1.52 C[C@@]1(CCCO1)CN MCULE-1372081592 [0,0,0,1,0,0|2,0,1]=4 1265 B8R1.52 C[C@@]1(CCCO1)CN MCULE-6512781753 [0,0,0,1,0,0|2,0,1]=4 1266 B8R1.83 CC1CC1C(=O)CCl MCULE-1203840849 [0,0,0,1,0,0|3,0,0]=4 1267 B8R1.83 CC1CC1C(=O)NN MCULE-3813713819 [0,0,0,1,0,0|3,0,0]=4 1268 B8R1.83 CCC(=O)C1CC1C MCULE-4552256059 [0,0,0,1,0,0|3,0,0]=4 1269 B5R0.1 C(C)(N)CCO MCULE-5545469271 [2,0,0,0,0,0|1,0,1]=4 1270 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [2,0,0,0,0,0|1,0,1]=4 1271 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [2,0,0,0,0,0|1,0,1]=4 1272 B5R0.1 C=C(Br)CCO MCULE-3743908958 [2,0,0,0,0,0|1,0,1]=4 1273 B5R0.1 C=C(C)CCBr MCULE-3439794005 [2,0,0,0,0,0|2,0,0]=4 1274 B5R0.1 C=C(C)CCC MCULE-8225129744 [2,0,0,0,0,0|2,0,0]=4 1275 B5R0.1 C=C(C)CCCl MCULE-2816016781 [2,0,0,0,0,0|2,0,0]=4 1276 B5R0.1 C=C(C)CCI MCULE-6317205481 [2,0,0,0,0,0|2,0,0]=4 1277 B5R0.1 C=C(C)CCN MCULE-4037025602 [2,0,0,0,0,0|2,0,0]=4 1278 B5R0.1 C=C(C)CCN MCULE-5001503744 [2,0,0,0,0,0|2,0,0]=4 1279 B5R0.1 C=C(C)CCO MCULE-2689800711 [2,0,0,0,0,0|1,0,0]=3 1280 B5R0.1 C=C(C)OCC MCULE-5303468686 [2,0,0,0,0,0|1,0,0]=3 1281 B5R0.1 C=CCC(=O)N MCULE-1205335257 [2,0,0,0,0,0|1,0,1]=4 1282 B5R0.1 C=COC(=O)C MCULE-7626795765 [2,0,0,0,0,0|0,0,2]=4 1283 B5R0.1 C=NCC(=O)N MCULE-7609497329 [2,0,0,0,0,0|2,0,0]=4 1284 B5R0.1 CC#CC(=O)C MCULE-4083248904 [2,0,0,0,0,0|1,0,1]=4 1285 B5R0.1 CC(=CCO)C MCULE-3984123588 [2,0,0,0,0,0|1,0,1]=4 1286 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [2,0,0,0,0,0|1,0,1]=4 1287 B5R0.1 CC(=CCO)I MCULE-4600854759 [2,0,0,0,0,0|1,0,1]=4 1288 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [2,0,0,0,0,0|1,0,1]=4 1289 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [2,0,0,0,0,0|1,0,1]=4 1290 B5R0.1 CC(=O)C=NO MCULE-5513006918 [2,0,0,0,0,0|1,0,1]=4 1291 B5R0.1 CC(=O)CC#N MCULE-7203242552 [2,0,0,0,0,0|1,0,1]=4 1292 B5R0.1 CC(=O)CCBr MCULE-2615300206 [2,0,0,0,0,0|1,0,0]=3 1293 B5R0.1 CC(=O)CCCl MCULE-8019748964 [2,0,0,0,0,0|1,0,0]=3 1294 B5R0.1 CC(=O)CCN MCULE-7550348751 [2,0,0,0,0,0|1,0,0]=3 1295 B5R0.1 CC(=O)CCN MCULE-9519063810 [2,0,0,0,0,0|1,0,0]=3 1296 B5R0.1 CC(=O)CCO MCULE-6328537335 [2,0,0,0,0,0|0,0,0]=2 1297 B5R0.1 CC(=O)NCO MCULE-4563335540 [2,0,0,0,0,0|1,0,0]=3 1298 B5R0.1 CC(=O)OCBr MCULE-9842804945 [2,0,0,0,0,0|1,0,0]=3 1299 B5R0.1 CC(=O)OCCl MCULE-6822222026 [2,0,0,0,0,0|1,0,0]=3 1300 B5R0.1 CC(=O)SCBr MCULE-9794607323 [2,0,0,0,0,0|1,1,0]=4 1301 B5R0.1 CC(C)CCO MCULE-7411270401 [2,0,0,0,0,0|1,0,1]=4 1302 B5R0.1 CC(Cl)CCO MCULE-1955496242 [2,0,0,0,0,0|1,0,1]=4 1303 B5R0.1 CC(N)CCO MCULE-1771399942 [2,0,0,0,0,0|1,0,1]=4 1304 B5R0.1 CC(N)CCO MCULE-7239872808 [2,0,0,0,0,0|1,0,1]=4 1305 B5R0.1 CC(O)CCO MCULE-1694239851 [2,0,0,0,0,0|0,0,2]=4 1306 B5R0.1 CC(O)CCO MCULE-7784884948 [2,0,0,0,0,0|0,0,2]=4 1307 B5R0.1 CC(S)CCO MCULE-5702212503 [2,0,0,0,0,0|0,1,1]=4 1308 B5R0.1 CC=CC(=O)C MCULE-4826977340 [2,0,0,0,0,0|1,0,1]=4 1309 B5R0.1 CC=CC(=O)N MCULE-9693879476 [2,0,0,0,0,0|1,0,1]=4 1310 B5R0.1 CCC=C(C)C MCULE-2405063894 [2,0,0,0,0,0|2,0,0]=4 1311 B5R0.1 CCCC(=N)N MCULE-5974105638 [2,0,0,0,0,0|2,0,0]=4 1312 B5R0.1 CCCC(=N)N MCULE-9230704591 [2,0,0,0,0,0|2,0,0]=4 1313 B5R0.1 CCCC(=O)C MCULE-7174095676 [2,0,0,0,0,0|1,0,0]=3 1314 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [2,0,0,0,0,0|2,0,0]=4 1315 B5R0.1 CCCC(=O)N MCULE-2712067671 [2,0,0,0,0,0|1,0,0]=3 1316 B5R0.1 CCCC(=O)O MCULE-4116382006 [2,0,0,0,0,0|2,0,0]=4 1317 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [2,0,0,0,0,0|2,0,0]=4 1318 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [2,0,0,0,0,0|2,0,0]=4 1319 B5R0.1 CCCC(=S)N MCULE-3529335988 [2,0,0,0,0,0|1,1,0]=4 1320 B5R0.1 CCNC(=N)N MCULE-4729418155 [2,0,0,0,0,0|2,0,0]=4 1321 B5R0.1 CCNC(=N)N MCULE-5123343071 [2,0,0,0,0,0|2,0,0]=4 1322 B5R0.1 CCNC(=O)C MCULE-7543656350 [2,0,0,0,0,0|1,0,0]=3 1323 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [2,0,0,0,0,0|2,0,0]=4 1324 B5R0.1 CCNC(=O)N MCULE-1913599861 [2,0,0,0,0,0|1,0,0]=3 1325 B5R0.1 CCNC(=S)N MCULE-3849517146 [2,0,0,0,0,0|1,1,0]=4 1326 B5R0.1 CCOC(=N)C MCULE-3060267072 [2,0,0,0,0,0|1,0,0]=3 1327 B5R0.1 CCOC(=N)C MCULE-3943786182 [2,0,0,0,0,0|1,0,0]=3 1328 B5R0.1 CCOC(=N)N MCULE-3570858508 [2,0,0,0,0,0|1,0,0]=3 1329 B5R0.1 CCOC(=N)N MCULE-6061063856 [2,0,0,0,0,0|1,0,0]=3 1330 B5R0.1 CCOC(=O)C MCULE-6628539781 [2,0,0,0,0,0|0,0,0]=2 1331 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [2,0,0,0,0,0|1,0,0]=3 1332 B5R0.1 CCOC(=O)N MCULE-1776877276 [2,0,0,0,0,0|0,0,0]=2 1333 B5R0.1 CCOC(=S)C MCULE-3358897597 [2,0,0,0,0,0|0,1,0]=3 1334 B5R0.1 CCOC(=S)N MCULE-4649285010 [2,0,0,0,0,0|0,1,0]=3 1335 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [2,0,0,0,0,0|1,1,0]=4 1336 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [2,0,0,0,0,0|1,1,0]=4 1337 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [2,0,0,0,0,0|1,1,0]=4 1338 B5R0.1 CCOC(C)C MCULE-1934548340 [2,0,0,0,0,0|1,0,1]=4 1339 B5R0.1 CCOC(C)Cl MCULE-8486994638 [2,0,0,0,0,0|1,0,1]=4 1340 B5R0.1 CCSC(=N)N MCULE-2161729152 [2,0,0,0,0,0|1,1,0]=4 1341 B5R0.1 CCSC(=N)N MCULE-2547252984 [2,0,0,0,0,0|1,1,0]=4 1342 B5R0.1 CCSC(=O)C MCULE-8015440229 [2,0,0,0,0,0|0,1,0]=3 1343 B5R0.1 CCSC(=S)C MCULE-1502137460 [2,0,0,0,0,0|0,2,0]=4 1344 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [2,0,0,0,0,0|2,0,0]=4 1345 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [2,0,0,0,0,0|1,0,1]=4 1346 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [2,0,0,0,0,0|1,0,1]=4 1347 B5R0.1 CN(C)CCO MCULE-5715813465 [2,0,0,0,0,0|2,0,0]=4 1348 B5R0.1 CN(C)CCO MCULE-7567469160 [2,0,0,0,0,0|2,0,0]=4 1349 B5R0.1 CN(C)CCO MCULE-9024108074 [2,0,0,0,0,0|2,0,0]=4 1350 B5R0.1 CNCC(=O)C MCULE-3695443024 [2,0,0,0,0,0|2,0,0]=4 1351 B5R0.1 CNCC(=O)C MCULE-7402723072 [2,0,0,0,0,0|2,0,0]=4 1352 B5R0.1 CNCC(=O)N MCULE-2328887394 [2,0,0,0,0,0|2,0,0]=4 1353 B5R0.1 CNCC(=O)N MCULE-3031605853 [2,0,0,0,0,0|2,0,0]=4 1354 B5R0.1 CNCC(=O)N MCULE-7300977677 [2,0,0,0,0,0|2,0,0]=4 1355 B5R0.1 CNOC(=O)C MCULE-1464426541 [2,0,0,0,0,0|1,0,0]=3 1356 B5R0.1 CNOC(=O)C MCULE-2976282666 [2,0,0,0,0,0|1,0,0]=3 1357 B5R0.1 COCC(=O)C MCULE-7262197587 [2,0,0,0,0,0|2,0,0]=4 1358 B5R0.1 COCC(=O)N MCULE-6674958132 [2,0,0,0,0,0|2,0,0]=4 1359 B5R0.1 CONC(=O)C MCULE-6601866630 [2,0,0,0,0,0|2,0,0]=4 1360 B5R0.1 CONC(=O)N MCULE-3063713861 [2,0,0,0,0,0|2,0,0]=4 1361 B5R0.1 CS(=O)CCBr MCULE-7846126230 [2,0,0,0,0,0|2,0,0]=4 1362 B5R0.1 CS(=O)CCCl MCULE-7012781505 [2,0,0,0,0,0|2,0,0]=4 1363 B5R0.1 CS(=O)CCN MCULE-6497874560 [2,0,0,0,0,0|2,0,0]=4 1364 B5R0.1 CS(=O)CCN MCULE-8275663766 [2,0,0,0,0,0|2,0,0]=4 1365 B5R0.1 CS(=O)CCN MCULE-8330490290 [2,0,0,0,0,0|2,0,0]=4 1366 B5R0.1 CS(=O)CCO MCULE-8331553582 [2,0,0,0,0,0|1,0,0]=3 1367 B5R0.1 CSCC(=O)C MCULE-4131794172 [2,0,0,0,0,0|2,0,0]=4 1368 B5R0.1 CSCC(=O)N MCULE-4865579476 [2,0,0,0,0,0|2,0,0]=4 1369 B5R0.1 CSNC(=O)C MCULE-7350061514 [2,0,0,0,0,0|2,0,0]=4 1370 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [2,0,0,0,0,0|1,0,1]=4 1371 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [2,0,0,0,0,0|1,0,1]=4 1372 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [2,0,0,0,0,0|0,0,2]=4 1373 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [2,0,0,0,0,0|0,0,2]=4 1374 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [2,0,0,0,0,0|1,0,1]=4 1375 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [2,0,0,0,0,0|1,0,1]=4 1376 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [2,0,0,0,0,0|1,0,1]=4 1377 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [2,0,0,0,0,0|1,0,1]=4 1378 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [2,0,0,0,0,0|0,0,2]=4 1379 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [2,0,0,0,0,0|0,0,2]=4 1380 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [2,0,0,0,0,0|1,0,0]=3 1381 B5R0.1 N#CCC(=O)N MCULE-8538286230 [2,0,0,0,0,0|1,0,1]=4 1382 B5R0.1 N=C(N)CCCl MCULE-2314996365 [2,0,0,0,0,0|2,0,0]=4 1383 B5R0.1 N=C(N)CCCl MCULE-3129838313 [2,0,0,0,0,0|2,0,0]=4 1384 B5R0.1 N=C(N)CCO MCULE-4567824707 [2,0,0,0,0,0|1,0,0]=3 1385 B5R0.1 N=C(N)CCO MCULE-7139693715 [2,0,0,0,0,0|1,0,0]=3 1386 B5R0.1 NC(=O)C=NO MCULE-6447662753 [2,0,0,0,0,0|1,0,1]=4 1387 B5R0.1 NC(=O)CCBr MCULE-3930714776 [2,0,0,0,0,0|1,0,0]=3 1388 B5R0.1 NC(=O)CCCl MCULE-8300320959 [2,0,0,0,0,0|1,0,0]=3 1389 B5R0.1 NC(=O)CCO MCULE-4026170350 [2,0,0,0,0,0|0,0,0]=2 1390 B5R0.1 NC(=O)CCS MCULE-7451827717 [2,0,0,0,0,0|0,1,0]=3 1391 B5R0.1 NC(=O)NCO MCULE-7403641101 [2,0,0,0,0,0|1,0,0]=3 1392 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [2,0,0,0,0,0|2,0,0]=4 1393 B5R0.1 NCCC(=O)N MCULE-2899414135 [2,0,0,0,0,0|1,0,0]=3 1394 B5R0.1 NCCC(=O)N MCULE-6993286668 [2,0,0,0,0,0|1,0,0]=3 1395 B5R0.1 NCCC(=O)O MCULE-1344289084 [2,0,0,0,0,0|2,0,0]=4 1396 B5R0.1 NCCC(=O)O MCULE-2298605337 [2,0,0,0,0,0|2,0,0]=4 1397 B5R0.1 NCCC(=O)O MCULE-9375577631 [2,0,0,0,0,0|2,0,0]=4 1398 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [2,0,0,0,0,0|2,0,0]=4 1399 B5R0.1 NNCC(=O)N MCULE-2794619708 [2,0,0,0,0,0|2,0,0]=4 1400 B5R0.1 NNCC(=O)N MCULE-6773156087 [2,0,0,0,0,0|2,0,0]=4 1401 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [2,0,0,0,0,0|2,0,0]=4 1402 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [2,0,0,0,0,0|2,0,0]=4 1403 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [2,0,0,0,0,0|2,0,0]=4 1404 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [2,0,0,0,0,0|2,0,0]=4 1405 B5R0.1 O=C(O)CCBr MCULE-2816055853 [2,0,0,0,0,0|2,0,0]=4 1406 B5R0.1 O=C(O)CCCl MCULE-8511144183 [2,0,0,0,0,0|2,0,0]=4 1407 B5R0.1 O=C(O)CCF MCULE-4382025684 [2,0,0,0,0,0|2,0,0]=4 1408 B5R0.1 O=C(O)CCI MCULE-3371354708 [2,0,0,0,0,0|2,0,0]=4 1409 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|1,0,0]=3 1410 B5R0.1 O=C(O)CCS MCULE-3211932163 [2,0,0,0,0,0|1,1,0]=4 1411 B5R0.1 O=C(O)CNO MCULE-4437067339 [2,0,0,0,0,0|2,0,0]=4 1412 B5R0.1 O=C([O-])CCO MCULE-4429611588 [2,0,0,0,0,0|1,0,0]=3 1413 B5R0.1 O=N(=O)CCO MCULE-2060841405 [2,0,0,0,0,0|2,0,0]=4 1414 B5R0.2 C(=CCCl)CN MCULE-8092426171 [2,0,0,0,0,0|1,0,1]=4 1415 B5R0.2 C(=CCCl)CN MCULE-9706120646 [2,0,0,0,0,0|1,0,1]=4 1416 B5R0.2 C(=C\CCl)\CN MCULE-3474871402 [2,0,0,0,0,0|1,0,1]=4 1417 B5R0.2 C/C=C/CCC MCULE-9851656818 [2,0,0,0,0,0|2,0,0]=4 1418 B5R0.2 C/C=C/CCO MCULE-3952855392 [2,0,0,0,0,0|1,0,0]=3 1419 B5R0.2 C/C=C/OCC MCULE-2891896400 [2,0,0,0,0,0|1,0,1]=4 1420 B5R0.2 C/C=C\CCC MCULE-1013657748 [2,0,0,0,0,0|2,0,0]=4 1421 B5R0.2 C=C=CCCO MCULE-1054355649 [2,0,0,0,0,0|1,0,1]=4 1422 B5R0.2 C=CCCCO MCULE-5946342321 [2,0,0,0,0,0|1,0,1]=4 1423 B5R0.2 C=CCOC=O MCULE-4161785970 [2,0,0,0,0,0|1,0,1]=4 1424 B5R0.2 C=COCCC MCULE-4423853666 [2,0,0,0,0,0|1,0,1]=4 1425 B5R0.2 C=COCCCl MCULE-7782311030 [2,0,0,0,0,0|1,0,1]=4 1426 B5R0.2 C=COCCN MCULE-8052872924 [2,0,0,0,0,0|1,0,1]=4 1427 B5R0.2 C=COCCN MCULE-8496820259 [2,0,0,0,0,0|1,0,1]=4 1428 B5R0.2 C=COCCO MCULE-9383372818 [2,0,0,0,0,0|0,0,1]=3 1429 B5R0.2 CC#CCCO MCULE-9400138491 [2,0,0,0,0,0|1,0,1]=4 1430 B5R0.2 CC/C=C/CC MCULE-6762040186 [2,0,0,0,0,0|2,0,0]=4 1431 B5R0.2 CC/C=C\CC MCULE-9418110460 [2,0,0,0,0,0|2,0,0]=4 1432 B5R0.2 CC/C=C\CO MCULE-5480473249 [2,0,0,0,0,0|1,0,1]=4 1433 B5R0.2 CC=CCCBr MCULE-7329159278 [2,0,0,0,0,0|2,0,0]=4 1434 B5R0.2 CC=CCCC MCULE-8736231124 [2,0,0,0,0,0|2,0,0]=4 1435 B5R0.2 CC=CCCN MCULE-5129102475 [2,0,0,0,0,0|2,0,0]=4 1436 B5R0.2 CC=CCCN MCULE-8500001929 [2,0,0,0,0,0|2,0,0]=4 1437 B5R0.2 CC=CCCO MCULE-4302367089 [2,0,0,0,0,0|1,0,0]=3 1438 B5R0.2 CC=COCC MCULE-1473170404 [2,0,0,0,0,0|1,0,1]=4 1439 B5R0.2 CCC#CCN MCULE-8712641266 [2,0,0,0,0,0|1,0,1]=4 1440 B5R0.2 CCC=CCBr MCULE-5326763881 [2,0,0,0,0,0|2,0,0]=4 1441 B5R0.2 CCC=CCC MCULE-5435957422 [2,0,0,0,0,0|2,0,0]=4 1442 B5R0.2 CCC=CCO MCULE-5633399984 [2,0,0,0,0,0|1,0,1]=4 1443 B5R0.2 CCCCC=O MCULE-4736782822 [2,0,0,0,0,0|2,0,0]=4 1444 B5R0.2 CCCCCN MCULE-3371742982 [2,0,0,0,0,0|1,0,1]=4 1445 B5R0.2 CCCCCN MCULE-4371067300 [2,0,0,0,0,0|1,0,1]=4 1446 B5R0.2 CCCCCN MCULE-6547961798 [2,0,0,0,0,0|1,0,1]=4 1447 B5R0.2 CCCCCN MCULE-7483248760 [2,0,0,0,0,0|1,0,1]=4 1448 B5R0.2 CCCCCO MCULE-8714292632 [2,0,0,0,0,0|1,0,1]=4 1449 B5R0.2 CCCNC=O MCULE-6344556391 [2,0,0,0,0,0|2,0,0]=4 1450 B5R0.2 CCCOC=O MCULE-3133604529 [2,0,0,0,0,0|1,0,0]=3 1451 B5R0.2 CCCOCBr MCULE-3585683043 [2,0,0,0,0,0|2,0,0]=4 1452 B5R0.2 CCCOCC MCULE-9971916790 [2,0,0,0,0,0|1,0,1]=4 1453 B5R0.2 CCCOCCl MCULE-1932627202 [2,0,0,0,0,0|2,0,0]=4 1454 B5R0.2 CCNCCN MCULE-7854769899 [2,0,0,0,0,0|1,0,1]=4 1455 B5R0.2 CCNCCO MCULE-2537734730 [2,0,0,0,0,0|1,0,1]=4 1456 B5R0.2 CCNCCO MCULE-3738714907 [2,0,0,0,0,0|1,0,1]=4 1457 B5R0.2 CCO/C=C\Br MCULE-7396084973 [2,0,0,0,0,0|1,0,1]=4 1458 B5R0.2 CCOC=CBr MCULE-5241125671 [2,0,0,0,0,0|1,0,1]=4 1459 B5R0.2 CCOCCBr MCULE-4818900555 [2,0,0,0,0,0|1,0,1]=4 1460 B5R0.2 CCOCCCl MCULE-1290576729 [2,0,0,0,0,0|1,0,1]=4 1461 B5R0.2 CCOCCI MCULE-1833092968 [2,0,0,0,0,0|1,0,1]=4 1462 B5R0.2 CCOCCN MCULE-1254431240 [2,0,0,0,0,0|0,0,1]=3 1463 B5R0.2 CCOCCN MCULE-4039110889 [2,0,0,0,0,0|0,0,1]=3 1464 B5R0.2 CCOCCN MCULE-4400456933 [2,0,0,0,0,0|0,0,1]=3 1465 B5R0.2 CCOCCO MCULE-4311513289 [2,0,0,0,0,0|0,0,1]=3 1466 B5R0.2 CCOCCS MCULE-3968740645 [2,0,0,0,0,0|0,1,1]=4 1467 B5R0.2 CCSCCN MCULE-3375644872 [2,0,0,0,0,0|0,1,1]=4 1468 B5R0.2 CCSCCN MCULE-4466279976 [2,0,0,0,0,0|0,1,1]=4 1469 B5R0.2 CCSCCO MCULE-3557086162 [2,0,0,0,0,0|0,1,1]=4 1470 B5R0.2 CNCCCO MCULE-9530478547 [2,0,0,0,0,0|2,0,0]=4 1471 B5R0.2 CNOCCN MCULE-3163962093 [2,0,0,0,0,0|1,0,1]=4 1472 B5R0.2 CNOCCN MCULE-7379538500 [2,0,0,0,0,0|1,0,1]=4 1473 B5R0.2 COCCCO MCULE-4041418048 [2,0,0,0,0,0|2,0,0]=4 1474 B5R0.2 CONCCO MCULE-9787830121 [2,0,0,0,0,0|2,0,0]=4 1475 B5R0.2 CSCCCO MCULE-9232413185 [2,0,0,0,0,0|2,0,0]=4 1476 B5R0.2 ClCCOCCl MCULE-7585684590 [2,0,0,0,0,0|2,0,0]=4 1477 B5R0.2 ClCOCCBr MCULE-6843473950 [2,0,0,0,0,0|2,0,0]=4 1478 B5R0.2 N#CCOC=O MCULE-4453241991 [2,0,0,0,0,0|1,0,1]=4 1479 B5R0.2 NC/C=C/CN MCULE-3194321905 [2,0,0,0,0,0|1,0,1]=4 1480 B5R0.2 NC/C=C/CN MCULE-8357316852 [2,0,0,0,0,0|1,0,1]=4 1481 B5R0.2 NC/C=C\CCl MCULE-7895966955 [2,0,0,0,0,0|1,0,1]=4 1482 B5R0.2 NC/C=C\CN MCULE-6310541400 [2,0,0,0,0,0|1,0,1]=4 1483 B5R0.2 NC/C=C\CN MCULE-8765736519 [2,0,0,0,0,0|1,0,1]=4 1484 B5R0.2 NCC#CCO MCULE-4844677613 [2,0,0,0,0,0|0,0,2]=4 1485 B5R0.2 NCC#CCO MCULE-9095239812 [2,0,0,0,0,0|0,0,2]=4 1486 B5R0.2 NCC=CCN MCULE-3768809289 [2,0,0,0,0,0|1,0,1]=4 1487 B5R0.2 NCC=CCN MCULE-4004493343 [2,0,0,0,0,0|1,0,1]=4 1488 B5R0.2 NCC=CCN MCULE-6780035248 [2,0,0,0,0,0|1,0,1]=4 1489 B5R0.2 NCC=CCO MCULE-4993379992 [2,0,0,0,0,0|0,0,1]=3 1490 B5R0.2 NCCCCBr MCULE-7095299053 [2,0,0,0,0,0|1,0,1]=4 1491 B5R0.2 NCCCCBr MCULE-7716027825 [2,0,0,0,0,0|1,0,1]=4 1492 B5R0.2 NCCCCCl MCULE-8484381726 [2,0,0,0,0,0|1,0,1]=4 1493 B5R0.2 NCCCCCl MCULE-9917306082 [2,0,0,0,0,0|1,0,1]=4 1494 B5R0.2 NCCCCF MCULE-4260727945 [2,0,0,0,0,0|1,0,1]=4 1495 B5R0.2 NCCCCF MCULE-7716720921 [2,0,0,0,0,0|1,0,1]=4 1496 B5R0.2 NCCCCN MCULE-3098044935 [2,0,0,0,0,0|1,0,1]=4 1497 B5R0.2 NCCCCN MCULE-7898833229 [2,0,0,0,0,0|1,0,1]=4 1498 B5R0.2 NCCCCN MCULE-8029479697 [2,0,0,0,0,0|1,0,1]=4 1499 B5R0.2 NCCCCN MCULE-8509656776 [2,0,0,0,0,0|1,0,1]=4 1500 B5R0.2 NCCCCO MCULE-7395674091 [2,0,0,0,0,0|0,0,1]=3 1501 B5R0.2 NCCCCS MCULE-4353910418 [2,0,0,0,0,0|0,1,1]=4 1502 B5R0.2 NCCCCS MCULE-9812416858 [2,0,0,0,0,0|0,1,1]=4 1503 B5R0.2 NNCCCO MCULE-5557482626 [2,0,0,0,0,0|1,0,1]=4 1504 B5R0.2 NNCCCO MCULE-7351853032 [2,0,0,0,0,0|1,0,1]=4 1505 B5R0.2 NNCCCO MCULE-7919314403 [2,0,0,0,0,0|1,0,1]=4 1506 B5R0.2 NOCCCO MCULE-1072312935 [2,0,0,0,0,0|1,0,1]=4 1507 B5R0.2 NOCCCO MCULE-3715520109 [2,0,0,0,0,0|1,0,1]=4 1508 B5R0.2 O=CCCCBr MCULE-7239613396 [2,0,0,0,0,0|2,0,0]=4 1509 B5R0.2 O=CCCCCl MCULE-3011225716 [2,0,0,0,0,0|2,0,0]=4 1510 B5R0.2 O=CCCCI MCULE-3153720790 [2,0,0,0,0,0|2,0,0]=4 1511 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|1,0,0]=3 1512 B5R0.2 O=CNCCO MCULE-3688614090 [2,0,0,0,0,0|1,0,0]=3 1513 B5R0.2 O=COCCO MCULE-1922672843 [2,0,0,0,0,0|0,0,0]=2 1514 B5R0.2 OC/C=C/CCl MCULE-4378785113 [2,0,0,0,0,0|1,0,1]=4 1515 B5R0.2 OC/C=C/CO MCULE-4752272005 [2,0,0,0,0,0|1,0,1]=4 1516 B5R0.2 OC/C=C\CO MCULE-2695577582 [2,0,0,0,0,0|1,0,1]=4 1517 B5R0.2 OCC=CCCl MCULE-7597942117 [2,0,0,0,0,0|1,0,1]=4 1518 B5R0.2 OCC=CCO MCULE-9559211408 [2,0,0,0,0,0|1,0,1]=4 1519 B5R0.2 OCCCCBr MCULE-9231591925 [2,0,0,0,0,0|1,0,1]=4 1520 B5R0.2 OCCCCCl MCULE-3507644812 [2,0,0,0,0,0|1,0,1]=4 1521 B5R0.2 OCCCCF MCULE-9242285588 [2,0,0,0,0,0|1,0,1]=4 1522 B5R0.2 OCCCCI MCULE-8723720522 [2,0,0,0,0,0|1,0,1]=4 1523 B5R0.2 OCCCCO MCULE-2010022287 [2,0,0,0,0,0|1,0,1]=4 1524 B5R0.2 OCCCCO MCULE-6551106098 [2,0,0,0,0,0|1,0,1]=4 1525 B5R0.2 OCCCCS MCULE-8169490949 [2,0,0,0,0,0|1,0,1]=4 1526 B5R0.2 OCCNCO MCULE-2141033453 [2,0,0,0,0,0|2,0,0]=4 1527 B5R0.3 C#CC(=O)CC MCULE-1563732373 [2,0,0,0,0,0|1,0,1]=4 1528 B5R0.3 C#CC(=O)OC MCULE-5108326717 [2,0,0,0,0,0|1,0,1]=4 1529 B5R0.3 C=C(CC)CBr MCULE-1652422688 [2,0,0,0,0,0|2,0,0]=4 1530 B5R0.3 C=C(CC)CC MCULE-9174509622 [2,0,0,0,0,0|2,0,0]=4 1531 B5R0.3 C=C(CC)CN MCULE-2269385026 [2,0,0,0,0,0|1,0,0]=3 1532 B5R0.3 C=C(CC)CN MCULE-3033447984 [2,0,0,0,0,0|1,0,0]=3 1533 B5R0.3 C=C(CC)CO MCULE-8127766352 [2,0,0,0,0,0|2,0,0]=4 1534 B5R0.3 C=C(CN)CN MCULE-5063132725 [2,0,0,0,0,0|2,0,0]=4 1535 B5R0.3 C=C(CO)CBr MCULE-9563589949 [2,0,0,0,0,0|2,0,0]=4 1536 B5R0.3 C=C(CO)CO MCULE-2682601949 [2,0,0,0,0,0|2,0,0]=4 1537 B5R0.3 C=CC(=O)CC MCULE-7277696617 [2,0,0,0,0,0|1,0,1]=4 1538 B5R0.3 C=CC(=O)OC MCULE-6010665978 [2,0,0,0,0,0|1,0,1]=4 1539 B5R0.3 CC(CN)CO MCULE-5880795484 [2,0,0,0,0,0|1,0,1]=4 1540 B5R0.3 CC(CN)CO MCULE-8083007887 [2,0,0,0,0,0|1,0,1]=4 1541 B5R0.3 CCC(=N)OC MCULE-4123543795 [2,0,0,0,0,0|2,0,0]=4 1542 B5R0.3 CCC(=N)OC MCULE-5346320805 [2,0,0,0,0,0|2,0,0]=4 1543 B5R0.3 CCC(=O)CBr MCULE-7825573294 [2,0,0,0,0,0|1,0,0]=3 1544 B5R0.3 CCC(=O)CC MCULE-8236549739 [2,0,0,0,0,0|1,0,0]=3 1545 B5R0.3 CCC(=O)CCl MCULE-9019890380 [2,0,0,0,0,0|1,0,0]=3 1546 B5R0.3 CCC(=O)CN MCULE-1863418812 [2,0,0,0,0,0|0,0,0]=2 1547 B5R0.3 CCC(=O)CN MCULE-5831164340 [2,0,0,0,0,0|0,0,0]=2 1548 B5R0.3 CCC(=O)CO MCULE-8674894820 [2,0,0,0,0,0|1,0,0]=3 1549 B5R0.3 CCC(=O)NC MCULE-5612060170 [2,0,0,0,0,0|2,0,0]=4 1550 B5R0.3 CCC(=O)NN MCULE-1803705917 [2,0,0,0,0,0|1,0,0]=3 1551 B5R0.3 CCC(=O)NO MCULE-1033164448 [2,0,0,0,0,0|2,0,0]=4 1552 B5R0.3 CCC(=O)OC MCULE-7384824725 [2,0,0,0,0,0|1,0,0]=3 1553 B5R0.3 CCC(=O)SC MCULE-9712192191 [2,0,0,0,0,0|1,1,0]=4 1554 B5R0.3 CCC(C)CN MCULE-2777327284 [2,0,0,0,0,0|1,0,1]=4 1555 B5R0.3 CCC(C)CN MCULE-7014901600 [2,0,0,0,0,0|1,0,1]=4 1556 B5R0.3 CCC(F)CN MCULE-1291385596 [2,0,0,0,0,0|1,0,1]=4 1557 B5R0.3 CCC(F)CN MCULE-7421331323 [2,0,0,0,0,0|1,0,1]=4 1558 B5R0.3 CCC(N)CN MCULE-6911484065 [2,0,0,0,0,0|1,0,1]=4 1559 B5R0.3 CCC(N)CN MCULE-8376506697 [2,0,0,0,0,0|1,0,1]=4 1560 B5R0.3 CCC(O)CN MCULE-5197026448 [2,0,0,0,0,0|0,0,2]=4 1561 B5R0.3 CCP(=O)CC MCULE-2216184595 [2,0,0,0,0,0|2,0,0]=4 1562 B5R0.3 CCS(=O)CC MCULE-5102735179 [2,0,0,0,0,0|2,0,0]=4 1563 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [2,0,0,0,0,0|1,0,1]=4 1564 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [2,0,0,0,0,0|0,0,2]=4 1565 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [2,0,0,0,0,0|0,0,2]=4 1566 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [2,0,0,0,0,0|1,0,1]=4 1567 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [2,0,0,0,0,0|1,0,1]=4 1568 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [2,0,0,0,0,0|1,0,1]=4 1569 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [2,0,0,0,0,0|1,0,1]=4 1570 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [2,0,0,0,0,0|0,0,2]=4 1571 B5R0.3 CNC(=O)CBr MCULE-1439209307 [2,0,0,0,0,0|2,0,0]=4 1572 B5R0.3 CNC(=O)CCl MCULE-1437904095 [2,0,0,0,0,0|2,0,0]=4 1573 B5R0.3 CNC(=O)CI MCULE-1687694185 [2,0,0,0,0,0|2,0,0]=4 1574 B5R0.3 CNC(=O)CN MCULE-1901033297 [2,0,0,0,0,0|1,0,0]=3 1575 B5R0.3 CNC(=O)CN MCULE-8532774234 [2,0,0,0,0,0|1,0,0]=3 1576 B5R0.3 CNC(=O)CO MCULE-5899226107 [2,0,0,0,0,0|2,0,0]=4 1577 B5R0.3 CNC(=O)CS MCULE-7032391129 [2,0,0,0,0,0|2,0,0]=4 1578 B5R0.3 CNC(=O)NN MCULE-2093843774 [2,0,0,0,0,0|2,0,0]=4 1579 B5R0.3 CNC(=O)OC MCULE-1162861376 [2,0,0,0,0,0|2,0,0]=4 1580 B5R0.3 COC(=N)CCl MCULE-2713131753 [2,0,0,0,0,0|2,0,0]=4 1581 B5R0.3 COC(=N)CCl MCULE-6471252676 [2,0,0,0,0,0|2,0,0]=4 1582 B5R0.3 COC(=O)C#N MCULE-8762838190 [2,0,0,0,0,0|0,0,2]=4 1583 B5R0.3 COC(=O)C=O MCULE-2685327079 [2,0,0,0,0,0|1,0,1]=4 1584 B5R0.3 COC(=O)CBr MCULE-2684954408 [2,0,0,0,0,0|1,0,0]=3 1585 B5R0.3 COC(=O)CCl MCULE-5886832940 [2,0,0,0,0,0|1,0,0]=3 1586 B5R0.3 COC(=O)CF MCULE-4367430175 [2,0,0,0,0,0|1,0,0]=3 1587 B5R0.3 COC(=O)CI MCULE-9545584156 [2,0,0,0,0,0|1,0,0]=3 1588 B5R0.3 COC(=O)CN MCULE-7462799100 [2,0,0,0,0,0|0,0,0]=2 1589 B5R0.3 COC(=O)CN MCULE-8887061469 [2,0,0,0,0,0|0,0,0]=2 1590 B5R0.3 COC(=O)CO MCULE-8734582763 [2,0,0,0,0,0|1,0,0]=3 1591 B5R0.3 COC(=O)CS MCULE-3020830180 [2,0,0,0,0,0|1,0,0]=3 1592 B5R0.3 COC(=O)NN MCULE-2637794839 [2,0,0,0,0,0|1,0,0]=3 1593 B5R0.3 COC(=O)OC MCULE-7488725621 [2,0,0,0,0,0|2,0,0]=4 1594 B5R0.3 COC(=O)SCl MCULE-1018411491 [2,0,0,0,0,0|2,0,0]=4 1595 B5R0.3 COC(=S)NN MCULE-8717505617 [2,0,0,0,0,0|1,1,0]=4 1596 B5R0.3 COC(C)CN MCULE-1378513525 [2,0,0,0,0,0|1,0,1]=4 1597 B5R0.3 COC(C)CN MCULE-6114730248 [2,0,0,0,0,0|1,0,1]=4 1598 B5R0.3 COC(C)CN MCULE-7516064224 [2,0,0,0,0,0|1,0,1]=4 1599 B5R0.3 COC(C)CN MCULE-8277408054 [2,0,0,0,0,0|1,0,1]=4 1600 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [2,0,0,0,0,0|1,0,1]=4 1601 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [2,0,0,0,0,0|1,0,1]=4 1602 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [2,0,0,0,0,0|1,0,1]=4 1603 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [2,0,0,0,0,0|1,0,1]=4 1604 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [2,0,0,0,0,0|1,0,1]=4 1605 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [2,0,0,0,0,0|1,0,1]=4 1606 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [2,0,0,0,0,0|1,0,1]=4 1607 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [2,0,0,0,0,0|1,0,1]=4 1608 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [2,0,0,0,0,0|1,0,1]=4 1609 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [2,0,0,0,0,0|1,0,1]=4 1610 B5R0.3 NCC(=O)CN MCULE-2420991481 [2,0,0,0,0,0|1,0,0]=3 1611 B5R0.3 NCC(=O)CN MCULE-8626789745 [2,0,0,0,0,0|1,0,0]=3 1612 B5R0.3 NCC(=O)NN MCULE-2318099199 [2,0,0,0,0,0|2,0,0]=4 1613 B5R0.3 NCC(=O)NN MCULE-3392354502 [2,0,0,0,0,0|2,0,0]=4 1614 B5R0.3 NCC(=O)NO MCULE-5417617455 [2,0,0,0,0,0|1,0,0]=3 1615 B5R0.3 NCC(F)CO MCULE-6156319956 [2,0,0,0,0,0|1,0,1]=4 1616 B5R0.3 NCC(F)CO MCULE-7472307328 [2,0,0,0,0,0|1,0,1]=4 1617 B5R0.3 NCC(O)CO MCULE-2689763818 [2,0,0,0,0,0|0,0,2]=4 1618 B5R0.3 NCC(O)CO MCULE-6096620010 [2,0,0,0,0,0|0,0,2]=4 1619 B5R0.3 NCC(O)CO MCULE-7307777212 [2,0,0,0,0,0|0,0,2]=4 1620 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [2,0,0,0,0,0|1,0,1]=4 1621 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [2,0,0,0,0,0|1,0,1]=4 1622 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [2,0,0,0,0,0|1,0,1]=4 1623 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [2,0,0,0,0,0|1,0,1]=4 1624 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [2,0,0,0,0,0|0,0,2]=4 1625 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [2,0,0,0,0,0|0,0,2]=4 1626 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [2,0,0,0,0,0|0,0,2]=4 1627 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [2,0,0,0,0,0|1,0,1]=4 1628 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [2,0,0,0,0,0|1,0,1]=4 1629 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [2,0,0,0,0,0|1,0,1]=4 1630 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [2,0,0,0,0,0|1,0,1]=4 1631 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [2,0,0,0,0,0|1,0,1]=4 1632 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [2,0,0,0,0,0|0,0,2]=4 1633 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [2,0,0,0,0,0|0,0,2]=4 1634 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [2,0,0,0,0,0|0,0,2]=4 1635 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [2,0,0,0,0,0|0,0,2]=4 1636 B5R0.3 NNC(=O)CCl MCULE-2158347473 [2,0,0,0,0,0|2,0,0]=4 1637 B5R0.3 NNC(=O)CCl MCULE-9762553206 [2,0,0,0,0,0|2,0,0]=4 1638 B5R0.3 NNC(=O)CO MCULE-8443636349 [2,0,0,0,0,0|1,0,0]=3 1639 B5R0.3 NNC(=O)CS MCULE-4913925166 [2,0,0,0,0,0|1,1,0]=4 1640 B5R0.3 NNC(=O)NO MCULE-7106168898 [2,0,0,0,0,0|2,0,0]=4 1641 B5R0.3 O=C(CBr)CBr MCULE-5262523719 [2,0,0,0,0,0|2,0,0]=4 1642 B5R0.3 O=C(CCl)CCl MCULE-2048636813 [2,0,0,0,0,0|2,0,0]=4 1643 B5R0.3 O=C(CF)CF MCULE-8790300272 [2,0,0,0,0,0|2,0,0]=4 1644 B5R0.3 O=C(CO)CO MCULE-7188810449 [2,0,0,0,0,0|1,0,0]=3 1645 B5R0.3 O=CC(=O)CO MCULE-7273475675 [2,0,0,0,0,0|1,0,1]=4 1646 B7R0.2 C#CC(=O)OC(C)C MCULE-2260869211 [1,1,0,0,0,0|1,0,1]=4 1647 B7R0.2 C=CC(=O)OC(C)C MCULE-8852781082 [1,1,0,0,0,0|1,0,1]=4 1648 B7R0.2 CC(C)CC(=O)CBr MCULE-3556695745 [1,1,0,0,0,0|2,0,0]=4 1649 B7R0.2 CC(C)CC(=O)CCl MCULE-6858533367 [1,1,0,0,0,0|2,0,0]=4 1650 B7R0.2 CC(C)CC(=O)CN MCULE-2435223768 [1,1,0,0,0,0|1,0,0]=3 1651 B7R0.2 CC(C)CC(=O)CN MCULE-7131454463 [1,1,0,0,0,0|1,0,0]=3 1652 B7R0.2 CC(C)CC(=O)NN MCULE-7719387931 [1,1,0,0,0,0|2,0,0]=4 1653 B7R0.2 CC(C)NC(=O)CBr MCULE-1272363222 [1,1,0,0,0,0|2,0,0]=4 1654 B7R0.2 CC(C)NC(=O)CCl MCULE-8342964960 [1,1,0,0,0,0|2,0,0]=4 1655 B7R0.2 CC(C)NC(=O)CI MCULE-8316056040 [1,1,0,0,0,0|2,0,0]=4 1656 B7R0.2 CC(C)NC(=O)CN MCULE-7188824856 [1,1,0,0,0,0|1,0,0]=3 1657 B7R0.2 CC(C)NC(=O)CN MCULE-8867435369 [1,1,0,0,0,0|1,0,0]=3 1658 B7R0.2 CC(C)NC(=O)CO MCULE-5386700783 [1,1,0,0,0,0|2,0,0]=4 1659 B7R0.2 CC(C)OC(=O)CBr MCULE-1610339208 [1,1,0,0,0,0|1,0,0]=3 1660 B7R0.2 CC(C)OC(=O)CCl MCULE-3017211046 [1,1,0,0,0,0|1,0,0]=3 1661 B7R0.2 CC(C)OC(=O)CN MCULE-4475626262 [1,1,0,0,0,0|0,0,0]=2 1662 B7R0.2 CC(C)OC(=O)CN MCULE-5696337645 [1,1,0,0,0,0|0,0,0]=2 1663 B7R0.2 CC(C)OC(=O)CO MCULE-4694316703 [1,1,0,0,0,0|1,0,0]=3 1664 B7R0.2 CC(C)OC(=O)CS MCULE-5298940210 [1,1,0,0,0,0|1,0,0]=3 1665 B7R0.2 CC(C)OC(=O)NN MCULE-5311288998 [1,1,0,0,0,0|1,0,0]=3 1666 B7R0.2 CC(O)CC(=O)NN MCULE-2521784411 [1,1,0,0,0,0|1,0,0]=3 1667 B7R0.2 CC(O)CC(C)CN MCULE-3086796159 [1,1,0,0,0,0|1,0,1]=4 1668 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [1,1,0,0,0,0|1,0,1]=4 1669 B7R0.2 CCC(=O)CC(C)C MCULE-8378320990 [1,1,0,0,0,0|2,0,0]=4 1670 B7R0.2 CCC(=O)NC(C)C MCULE-3565002235 [1,1,0,0,0,0|2,0,0]=4 1671 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [1,1,0,0,0,0|1,0,1]=4 1672 B7R0.2 CCC(=O)OC(C)C MCULE-6546381101 [1,1,0,0,0,0|1,0,0]=3 1673 B7R0.2 COC(=O)CC(C)O MCULE-7542131760 [1,1,0,0,0,0|2,0,0]=4 1674 B7R0.2 COC(=O)CC(C)O MCULE-7559608260 [1,1,0,0,0,0|2,0,0]=4 1675 B7R0.2 COC(=O)C[C@@H](C)O MCULE-1647366037 [1,1,0,0,0,0|2,0,0]=4 1676 B7R0.2 COC(=O)C[C@@H](C)O MCULE-7832771936 [1,1,0,0,0,0|2,0,0]=4 1677 B7R0.2 COC(=O)C[C@H](C)O MCULE-5154734951 [1,1,0,0,0,0|2,0,0]=4 1678 B7R0.2 COC(=O)C[C@H](C)O MCULE-7031738180 [1,1,0,0,0,0|2,0,0]=4 1679 B7R0.2 COC(=O)OC(C)C MCULE-4462394604 [1,1,0,0,0,0|2,0,0]=4 1680 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [1,1,0,0,0,0|1,0,1]=4 1681 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [1,1,0,0,0,0|1,0,1]=4 1682 B7R0.5 C=C(Br)C(=O)OCC MCULE-3441307956 [1,1,0,0,0,0|1,0,1]=4 1683 B7R0.5 C=C(C)C(=O)OCC MCULE-9496497565 [1,1,0,0,0,0|1,0,1]=4 1684 B7R0.5 CC(C)C(=O)CCN MCULE-1638964690 [1,1,0,0,0,0|2,0,0]=4 1685 B7R0.5 CC(C)C(=O)CCN MCULE-5188027669 [1,1,0,0,0,0|2,0,0]=4 1686 B7R0.5 CC(C)C(=O)NCO MCULE-4279406951 [1,1,0,0,0,0|2,0,0]=4 1687 B7R0.5 CC(C)C(=O)OCBr MCULE-3276711258 [1,1,0,0,0,0|2,0,0]=4 1688 B7R0.5 CC(C)C(=O)OCCl MCULE-2226037128 [1,1,0,0,0,0|2,0,0]=4 1689 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [1,1,0,0,0,0|1,0,1]=4 1690 B7R0.5 CCCC(=O)C(C)Br MCULE-8743472868 [1,1,0,0,0,0|2,0,0]=4 1691 B7R0.5 CCCC(=O)C(C)C MCULE-7690543374 [1,1,0,0,0,0|2,0,0]=4 1692 B7R0.5 CCNC(=O)C(C)Br MCULE-4342500989 [1,1,0,0,0,0|2,0,0]=4 1693 B7R0.5 CCNC(=O)C(C)Cl MCULE-2094375104 [1,1,0,0,0,0|2,0,0]=4 1694 B7R0.5 CCNC(=O)C(C)N MCULE-7767946644 [1,1,0,0,0,0|1,0,0]=3 1695 B7R0.5 CCNC(=O)C(C)N MCULE-8324775088 [1,1,0,0,0,0|1,0,0]=3 1696 B7R0.5 CCNC(=O)C(C)N MCULE-9028977052 [1,1,0,0,0,0|1,0,0]=3 1697 B7R0.5 CCNC(=O)N(C)N MCULE-4378383472 [1,1,0,0,0,0|2,0,0]=4 1698 B7R0.5 CCNC(=O)[C@H](C)N MCULE-1043080386 [1,1,0,0,0,0|1,0,0]=3 1699 B7R0.5 CCNC(=O)[C@H](C)O MCULE-9098995292 [1,1,0,0,0,0|2,0,0]=4 1700 B7R0.5 CCOC(=N)C(C)C MCULE-3425518673 [1,1,0,0,0,0|2,0,0]=4 1701 B7R0.5 CCOC(=N)C(C)C MCULE-9982777491 [1,1,0,0,0,0|2,0,0]=4 1702 B7R0.5 CCOC(=N)C(C)O MCULE-4906645723 [1,1,0,0,0,0|2,0,0]=4 1703 B7R0.5 CCOC(=N)C(C)O MCULE-6342692176 [1,1,0,0,0,0|2,0,0]=4 1704 B7R0.5 CCOC(=N)C(F)F MCULE-5998423176 [1,1,0,0,0,0|2,0,0]=4 1705 B7R0.5 CCOC(=O)C(=N)N MCULE-4853735680 [1,1,0,0,0,0|0,0,1]=3 1706 B7R0.5 CCOC(=O)C(=N)N MCULE-9212797796 [1,1,0,0,0,0|0,0,1]=3 1707 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [1,1,0,0,0,0|1,0,1]=4 1708 B7R0.5 CCOC(=O)C(=O)Cl MCULE-6454421959 [1,1,0,0,0,0|1,0,1]=4 1709 B7R0.5 CCOC(=O)C(=O)N MCULE-2968497645 [1,1,0,0,0,0|0,0,1]=3 1710 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [1,1,0,0,0,0|1,0,1]=4 1711 B7R0.5 CCOC(=O)C(=O)[O-] MCULE-1807862684 [1,1,0,0,0,0|1,0,1]=4 1712 B7R0.5 CCOC(=O)C(=S)N MCULE-3285821799 [1,1,0,0,0,0|0,0,1]=3 1713 B7R0.5 CCOC(=O)C(Br)Br MCULE-8701615311 [1,1,0,0,0,0|1,0,0]=3 1714 B7R0.5 CCOC(=O)C(C)Br MCULE-3184697988 [1,1,0,0,0,0|1,0,0]=3 1715 B7R0.5 CCOC(=O)C(C)C MCULE-7190269066 [1,1,0,0,0,0|1,0,0]=3 1716 B7R0.5 CCOC(=O)C(C)Cl MCULE-8192833024 [1,1,0,0,0,0|1,0,0]=3 1717 B7R0.5 CCOC(=O)C(C)F MCULE-5743308430 [1,1,0,0,0,0|1,0,0]=3 1718 B7R0.5 CCOC(=O)C(C)I MCULE-5895787216 [1,1,0,0,0,0|1,0,0]=3 1719 B7R0.5 CCOC(=O)C(C)N MCULE-1694144423 [1,1,0,0,0,0|0,0,0]=2 1720 B7R0.5 CCOC(=O)C(C)N MCULE-4073874506 [1,1,0,0,0,0|0,0,0]=2 1721 B7R0.5 CCOC(=O)C(C)N MCULE-4082731166 [1,1,0,0,0,0|0,0,0]=2 1722 B7R0.5 CCOC(=O)C(C)N MCULE-5175870607 [1,1,0,0,0,0|0,0,0]=2 1723 B7R0.5 CCOC(=O)C(C)O MCULE-8057202883 [1,1,0,0,0,0|1,0,0]=3 1724 B7R0.5 CCOC(=O)C(C)O MCULE-9679398205 [1,1,0,0,0,0|1,0,0]=3 1725 B7R0.5 CCOC(=O)C(C)S MCULE-7890942953 [1,1,0,0,0,0|1,0,0]=3 1726 B7R0.5 CCOC(=O)C(Cl)Cl MCULE-3838429635 [1,1,0,0,0,0|1,0,0]=3 1727 B7R0.5 CCOC(=O)C(F)Br MCULE-5661791694 [1,1,0,0,0,0|1,0,0]=3 1728 B7R0.5 CCOC(=O)C(F)Cl MCULE-4260692293 [1,1,0,0,0,0|1,0,0]=3 1729 B7R0.5 CCOC(=O)C(F)F MCULE-6388513707 [1,1,0,0,0,0|1,0,0]=3 1730 B7R0.5 CCOC(=O)C(F)I MCULE-4681224874 [1,1,0,0,0,0|1,0,0]=3 1731 B7R0.5 CCOC(=O)N(C)C MCULE-8344568471 [1,1,0,0,0,0|2,0,0]=4 1732 B7R0.5 CCOC(=O)N(C)N MCULE-3043289486 [1,1,0,0,0,0|1,0,0]=3 1733 B7R0.5 CCOC(=O)N(Cl)Cl MCULE-5524945489 [1,1,0,0,0,0|2,0,0]=4 1734 B7R0.5 CCOC(=O)[C@@H](C)F MCULE-1032359164 [1,1,0,0,0,0|1,0,0]=3 1735 B7R0.5 CCOC(=O)[C@@H](C)F MCULE-1087923626 [1,1,0,0,0,0|1,0,0]=3 1736 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-1553164105 [1,1,0,0,0,0|0,0,0]=2 1737 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-2294196196 [1,1,0,0,0,0|0,0,0]=2 1738 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-4613491627 [1,1,0,0,0,0|0,0,0]=2 1739 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-8190900780 [1,1,0,0,0,0|0,0,0]=2 1740 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-3372948910 [1,1,0,0,0,0|1,0,0]=3 1741 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-5795033916 [1,1,0,0,0,0|1,0,0]=3 1742 B7R0.5 CCOC(=O)[C@H](C)F MCULE-3258014155 [1,1,0,0,0,0|1,0,0]=3 1743 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4397919899 [1,1,0,0,0,0|0,0,0]=2 1744 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4404274511 [1,1,0,0,0,0|0,0,0]=2 1745 B7R0.5 CCOC(=O)[C@H](C)N MCULE-7626045082 [1,1,0,0,0,0|0,0,0]=2 1746 B7R0.5 CCOC(=O)[C@H](C)N MCULE-8333235087 [1,1,0,0,0,0|0,0,0]=2 1747 B7R0.5 CCOC(=O)[C@H](C)O MCULE-4333545760 [1,1,0,0,0,0|1,0,0]=3 1748 B7R0.5 CCOC(=O)[C@H](C)O MCULE-8787861948 [1,1,0,0,0,0|1,0,0]=3 1749 B7R0.5 CCOC(=S)C(=O)N MCULE-4600711043 [1,1,0,0,0,0|0,1,1]=4 1750 B7R0.5 CCSC(=O)C(C)N MCULE-3205133332 [1,1,0,0,0,0|0,1,0]=3 1751 B7R0.5 CCSC(=O)C(C)N MCULE-4228316337 [1,1,0,0,0,0|0,1,0]=3 1752 B7R0.5 CCSC(=O)[C@H](C)N MCULE-3136283874 [1,1,0,0,0,0|0,1,0]=3 1753 B7R0.5 CCSC(=O)[C@H](C)N MCULE-7218618193 [1,1,0,0,0,0|0,1,0]=3 1754 B7R0.5 CCSC(=O)[C@H](C)N MCULE-8421179745 [1,1,0,0,0,0|0,1,0]=3 1755 B7R0.5 CCSC(=O)[C@H](C)N MCULE-9872171069 [1,1,0,0,0,0|0,1,0]=3 1756 B7R0.5 CN(C)C(=O)CCO MCULE-8849440937 [1,1,0,0,0,0|2,0,0]=4 1757 B7R0.7 C#CCC(=O)OCC MCULE-2012473321 [1,1,0,0,0,0|1,0,0]=3 1758 B7R0.7 C/C=C/C(=O)OCC MCULE-8433823264 [1,1,0,0,0,0|1,0,1]=4 1759 B7R0.7 C=C(CCC)CCO MCULE-1774943854 [1,1,0,0,0,0|2,0,0]=4 1760 B7R0.7 C=C(OCC)OCC MCULE-5191107236 [1,1,0,0,0,0|2,0,0]=4 1761 B7R0.7 C=C=CC(=O)OCC MCULE-9108726418 [1,1,0,0,0,0|1,0,1]=4 1762 B7R0.7 C=CCC(=O)OCC MCULE-2006542536 [1,1,0,0,0,0|1,0,0]=3 1763 B7R0.7 CC#CC(=O)OCC MCULE-3358315498 [1,1,0,0,0,0|1,0,1]=4 1764 B7R0.7 CC(CCN)CCO MCULE-7864092529 [1,1,0,0,0,0|1,0,1]=4 1765 B7R0.7 CC=CC(=O)OCC MCULE-1904771513 [1,1,0,0,0,0|1,0,1]=4 1766 B7R0.7 CCCC(=N)OCC MCULE-5551107242 [1,1,0,0,0,0|2,0,0]=4 1767 B7R0.7 CCCC(=N)OCC MCULE-7790310067 [1,1,0,0,0,0|2,0,0]=4 1768 B7R0.7 CCCC(=O)CC#N MCULE-7580308812 [1,1,0,0,0,0|1,0,1]=4 1769 B7R0.7 CCCC(=O)CCC MCULE-1621649928 [1,1,0,0,0,0|2,0,0]=4 1770 B7R0.7 CCCC(=O)OCC MCULE-9977024136 [1,1,0,0,0,0|1,0,0]=3 1771 B7R0.7 CCCC(=O)OCCl MCULE-5186069317 [1,1,0,0,0,0|2,0,0]=4 1772 B7R0.7 CCNC(=O)CC#N MCULE-4756290560 [1,1,0,0,0,0|1,0,1]=4 1773 B7R0.7 CCNC(=O)CCCl MCULE-3246776319 [1,1,0,0,0,0|2,0,0]=4 1774 B7R0.7 CCNC(=O)CCN MCULE-2856252531 [1,1,0,0,0,0|1,0,0]=3 1775 B7R0.7 CCNC(=O)CCN MCULE-3929666209 [1,1,0,0,0,0|1,0,0]=3 1776 B7R0.7 CCNC(=O)CCO MCULE-3624072697 [1,1,0,0,0,0|1,0,0]=3 1777 B7R0.7 CCNC(=O)CNC MCULE-1939824251 [1,1,0,0,0,0|1,0,0]=3 1778 B7R0.7 CCNC(=O)CNC MCULE-2815515396 [1,1,0,0,0,0|1,0,0]=3 1779 B7R0.7 CCNC(=O)NCC MCULE-2253571388 [1,1,0,0,0,0|2,0,0]=4 1780 B7R0.7 CCNC(=O)OCC MCULE-3910060770 [1,1,0,0,0,0|1,0,0]=3 1781 B7R0.7 CCOC(=N)CC#N MCULE-3997647151 [1,1,0,0,0,0|1,0,1]=4 1782 B7R0.7 CCOC(=N)CC#N MCULE-6574650764 [1,1,0,0,0,0|1,0,1]=4 1783 B7R0.7 CCOC(=N)CCCl MCULE-3462649487 [1,1,0,0,0,0|2,0,0]=4 1784 B7R0.7 CCOC(=N)CCCl MCULE-7130199135 [1,1,0,0,0,0|2,0,0]=4 1785 B7R0.7 CCOC(=N)CCO MCULE-8135932013 [1,1,0,0,0,0|2,0,0]=4 1786 B7R0.7 CCOC(=N)CCO MCULE-9125708150 [1,1,0,0,0,0|2,0,0]=4 1787 B7R0.7 CCOC(=N)COC MCULE-1358920023 [1,1,0,0,0,0|2,0,0]=4 1788 B7R0.7 CCOC(=N)COC MCULE-8494947544 [1,1,0,0,0,0|2,0,0]=4 1789 B7R0.7 CCOC(=O)/C=C/I MCULE-4105665503 [1,1,0,0,0,0|1,0,1]=4 1790 B7R0.7 CCOC(=O)/C=C/O MCULE-1984925411 [1,1,0,0,0,0|1,0,1]=4 1791 B7R0.7 CCOC(=O)/C=C/[O-] MCULE-5625833261 [1,1,0,0,0,0|1,0,1]=4 1792 B7R0.7 CCOC(=O)/C=C\Br MCULE-7525620721 [1,1,0,0,0,0|1,0,1]=4 1793 B7R0.7 CCOC(=O)/C=C\I MCULE-4741067503 [1,1,0,0,0,0|1,0,1]=4 1794 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [1,1,0,0,0,0|0,0,1]=3 1795 B7R0.7 CCOC(=O)C#CBr MCULE-5306962165 [1,1,0,0,0,0|1,0,1]=4 1796 B7R0.7 CCOC(=O)C=CBr MCULE-3778834856 [1,1,0,0,0,0|1,0,1]=4 1797 B7R0.7 CCOC(=O)C=CI MCULE-9930784067 [1,1,0,0,0,0|1,0,1]=4 1798 B7R0.7 CCOC(=O)C=CO MCULE-2570791221 [1,1,0,0,0,0|1,0,1]=4 1799 B7R0.7 CCOC(=O)C=C[O-] MCULE-8425740727 [1,1,0,0,0,0|1,0,1]=4 1800 B7R0.7 CCOC(=O)C=NN MCULE-5132323904 [1,1,0,0,0,0|0,0,1]=3 1801 B7R0.7 CCOC(=O)C=NN MCULE-5899717314 [1,1,0,0,0,0|0,0,1]=3 1802 B7R0.7 CCOC(=O)C=NO MCULE-8888029932 [1,1,0,0,0,0|0,0,2]=4 1803 B7R0.7 CCOC(=O)CC#N MCULE-3161671261 [1,1,0,0,0,0|0,0,1]=3 1804 B7R0.7 CCOC(=O)CC=O MCULE-5042552247 [1,1,0,0,0,0|1,0,0]=3 1805 B7R0.7 CCOC(=O)CCBr MCULE-1898467026 [1,1,0,0,0,0|1,0,0]=3 1806 B7R0.7 CCOC(=O)CCCl MCULE-2623656770 [1,1,0,0,0,0|1,0,0]=3 1807 B7R0.7 CCOC(=O)CCI MCULE-9651397551 [1,1,0,0,0,0|1,0,0]=3 1808 B7R0.7 CCOC(=O)CCN MCULE-4383008445 [1,1,0,0,0,0|0,0,0]=2 1809 B7R0.7 CCOC(=O)CCN MCULE-6873709061 [1,1,0,0,0,0|0,0,0]=2 1810 B7R0.7 CCOC(=O)CCO MCULE-3972081033 [1,1,0,0,0,0|1,0,0]=3 1811 B7R0.7 CCOC(=O)CCS MCULE-3955367746 [1,1,0,0,0,0|1,0,0]=3 1812 B7R0.7 CCOC(=O)CNC MCULE-3219895330 [1,1,0,0,0,0|0,0,0]=2 1813 B7R0.7 CCOC(=O)CNC MCULE-6164649520 [1,1,0,0,0,0|0,0,0]=2 1814 B7R0.7 CCOC(=O)CNN MCULE-2832319636 [1,1,0,0,0,0|0,0,0]=2 1815 B7R0.7 CCOC(=O)CNN MCULE-3479623348 [1,1,0,0,0,0|0,0,0]=2 1816 B7R0.7 CCOC(=O)CNN MCULE-5066106273 [1,1,0,0,0,0|0,0,0]=2 1817 B7R0.7 CCOC(=O)COC MCULE-7739678079 [1,1,0,0,0,0|1,0,0]=3 1818 B7R0.7 CCOC(=O)CON MCULE-4924818206 [1,1,0,0,0,0|0,0,0]=2 1819 B7R0.7 CCOC(=O)CSC MCULE-5199209389 [1,1,0,0,0,0|1,0,0]=3 1820 B7R0.7 CCOC(=O)N=C=O MCULE-6030513409 [1,1,0,0,0,0|1,0,1]=4 1821 B7R0.7 CCOC(=O)N=C=S MCULE-1259119752 [1,1,0,0,0,0|1,0,1]=4 1822 B7R0.7 CCOC(=O)N=S=O MCULE-2418866175 [1,1,0,0,0,0|2,0,0]=4 1823 B7R0.7 CCOC(=O)NCCl MCULE-9646468987 [1,1,0,0,0,0|1,0,0]=3 1824 B7R0.7 CCOC(=O)NCO MCULE-1265242244 [1,1,0,0,0,0|1,0,0]=3 1825 B7R0.7 CCOC(=O)NNC MCULE-8689837834 [1,1,0,0,0,0|1,0,0]=3 1826 B7R0.7 CCOC(=O)NOC MCULE-2256963329 [1,1,0,0,0,0|2,0,0]=4 1827 B7R0.7 CCOC(=O)OCC MCULE-1394890550 [1,1,0,0,0,0|1,0,0]=3 1828 B7R0.7 CCOC(=O)OCCl MCULE-9723292956 [1,1,0,0,0,0|1,0,0]=3 1829 B7R0.7 CCOC(=O)OCI MCULE-7994621582 [1,1,0,0,0,0|1,0,0]=3 1830 B7R0.7 CCOC(=O)[CH-]C=O MCULE-1944484299 [1,1,0,0,0,0|1,0,1]=4 1831 B7R0.7 CCOC(=O)[CH-]C=O MCULE-5022028224 [1,1,0,0,0,0|1,0,1]=4 1832 B7R0.7 CCOC(=S)SCC MCULE-9637505732 [1,1,0,0,0,0|1,1,0]=4 1833 B7R0.7 CCOC(C)CNC MCULE-9630095723 [1,1,0,0,0,0|1,0,1]=4 1834 B7R0.7 CCOS(=O)OCC MCULE-6252684995 [1,1,0,0,0,0|2,0,0]=4 1835 B7R0.7 CCSC(=O)SCC MCULE-7783165279 [1,1,0,0,0,0|1,1,0]=4 1836 B7R0.7 CN(CCN)CCO MCULE-2960427748 [1,1,0,0,0,0|2,0,0]=4 1837 B7R0.7 O=C(CCBr)CCBr MCULE-4794296091 [1,1,0,0,0,0|2,0,0]=4 1838 B7R0.7 O=C(CCCl)CCCl MCULE-1408529874 [1,1,0,0,0,0|2,0,0]=4 1839 B7R0.7 O=C(CCO)CCO MCULE-8765223516 [1,1,0,0,0,0|1,0,0]=3 1840 B7R0.7 O=C(NCO)NCO MCULE-8625819432 [1,1,0,0,0,0|2,0,0]=4 1841 B7R0.7 O=S(CCO)CCO MCULE-3068452870 [1,1,0,0,0,0|2,0,0]=4 1842 B7R0.7 P(=O)(OCC)OCC MCULE-8519301551 [1,1,0,0,0,0|2,0,0]=4 1843 B7R0.10 CC(CN)C(N)CO MCULE-1520376315 [1,1,0,0,0,0|1,0,1]=4 1844 B7R0.10 CC(CN)[C@H](N)CO MCULE-9250442888 [1,1,0,0,0,0|1,0,1]=4 1845 B7R0.10 CCC(=O)C(=O)CC MCULE-4346857339 [1,1,0,0,0,0|2,0,0]=4 1846 B7R0.10 CCC(=O)C(O)CC MCULE-7549931190 [1,1,0,0,0,0|2,0,0]=4 1847 B7R0.10 CCC(=O)N(C)CC MCULE-1764457516 [1,1,0,0,0,0|2,0,0]=4 1848 B7R0.10 CCC(C)C(=O)CBr MCULE-7022126762 [1,1,0,0,0,0|2,0,0]=4 1849 B7R0.10 CCC(C)C(=O)CCl MCULE-6800466655 [1,1,0,0,0,0|2,0,0]=4 1850 B7R0.10 CCC(C)C(=O)NN MCULE-4144584435 [1,1,0,0,0,0|2,0,0]=4 1851 B7R0.10 CCN(C)C(=O)CBr MCULE-4444194334 [1,1,0,0,0,0|2,0,0]=4 1852 B7R0.10 CCN(C)C(=O)CCl MCULE-7762522604 [1,1,0,0,0,0|2,0,0]=4 1853 B7R0.10 CNC(=O)C(N)CO MCULE-1507161216 [1,1,0,0,0,0|2,0,0]=4 1854 B7R0.10 COC(=O)C(Br)CO MCULE-1678765423 [1,1,0,0,0,0|2,0,0]=4 1855 B7R0.10 COC(=O)C(Br)CO MCULE-8437488397 [1,1,0,0,0,0|2,0,0]=4 1856 B7R0.10 COC(=O)C(C)CO MCULE-1168600238 [1,1,0,0,0,0|2,0,0]=4 1857 B7R0.10 COC(=O)C(C)CO MCULE-9207150786 [1,1,0,0,0,0|2,0,0]=4 1858 B7R0.10 COC(=O)C(Cl)CO MCULE-9496750776 [1,1,0,0,0,0|2,0,0]=4 1859 B7R0.10 COC(=O)C(F)CO MCULE-2188518229 [1,1,0,0,0,0|2,0,0]=4 1860 B7R0.10 COC(=O)C(N)CO MCULE-1874204534 [1,1,0,0,0,0|2,0,0]=4 1861 B7R0.10 COC(=O)C(N)CO MCULE-1907797317 [1,1,0,0,0,0|2,0,0]=4 1862 B7R0.10 COC(=O)C(N)CO MCULE-3851022091 [1,1,0,0,0,0|2,0,0]=4 1863 B7R0.10 COC(=O)C(N)CO MCULE-9875856930 [1,1,0,0,0,0|2,0,0]=4 1864 B7R0.10 COC(=O)C(O)CO MCULE-1234820163 [1,1,0,0,0,0|2,0,0]=4 1865 B7R0.10 COC(=O)C(O)CO MCULE-2142801284 [1,1,0,0,0,0|2,0,0]=4 1866 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8075978888 [1,1,0,0,0,0|2,0,0]=4 1867 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8903256620 [1,1,0,0,0,0|2,0,0]=4 1868 B7R0.10 COC(=O)[C@@H](C)CO MCULE-6738074317 [1,1,0,0,0,0|2,0,0]=4 1869 B7R0.10 COC(=O)[C@@H](C)CO MCULE-9697255968 [1,1,0,0,0,0|2,0,0]=4 1870 B7R0.10 COC(=O)[C@@H](N)CO MCULE-2171593224 [1,1,0,0,0,0|2,0,0]=4 1871 B7R0.10 COC(=O)[C@@H](N)CO MCULE-3393088985 [1,1,0,0,0,0|2,0,0]=4 1872 B7R0.10 COC(=O)[C@@H](N)CO MCULE-5476910845 [1,1,0,0,0,0|2,0,0]=4 1873 B7R0.10 COC(=O)[C@@H](N)CO MCULE-9984439264 [1,1,0,0,0,0|2,0,0]=4 1874 B7R0.10 COC(=O)[C@@H](O)CO MCULE-3655137528 [1,1,0,0,0,0|2,0,0]=4 1875 B7R0.10 COC(=O)[C@@H](O)CO MCULE-5801355812 [1,1,0,0,0,0|2,0,0]=4 1876 B7R0.10 COC(=O)[C@H](Br)CO MCULE-8230787734 [1,1,0,0,0,0|2,0,0]=4 1877 B7R0.10 COC(=O)[C@H](C)CO MCULE-5719676432 [1,1,0,0,0,0|2,0,0]=4 1878 B7R0.10 COC(=O)[C@H](C)CO MCULE-8479546806 [1,1,0,0,0,0|2,0,0]=4 1879 B7R0.10 COC(=O)[C@H](N)CO MCULE-4463451892 [1,1,0,0,0,0|2,0,0]=4 1880 B7R0.10 COC(=O)[C@H](N)CO MCULE-5622938569 [1,1,0,0,0,0|2,0,0]=4 1881 B7R0.10 COC(=O)[C@H](N)CO MCULE-6021580541 [1,1,0,0,0,0|2,0,0]=4 1882 B7R0.10 COC(=O)[C@H](N)CO MCULE-8237708167 [1,1,0,0,0,0|2,0,0]=4 1883 B7R0.10 COC(=O)[C@H](O)CO MCULE-4219956218 [1,1,0,0,0,0|2,0,0]=4 1884 B7R0.10 COC(=O)[C@H](O)CO MCULE-8891571940 [1,1,0,0,0,0|2,0,0]=4 1885 B7R0.10 CON(C)C(=O)CN MCULE-1461344814 [1,1,0,0,0,0|2,0,0]=4 1886 B7R0.10 CON(C)C(=O)CN MCULE-5305104539 [1,1,0,0,0,0|2,0,0]=4 1887 B7R0.10 NNC(=O)C(N)CO MCULE-3324075598 [1,1,0,0,0,0|1,0,0]=3 1888 B7R0.10 NNC(=O)C(N)CO MCULE-6651241883 [1,1,0,0,0,0|1,0,0]=3 1889 B7R0.10 NNC(=O)[C@@H](N)CS MCULE-9375468264 [1,1,0,0,0,0|1,1,0]=4 1890 B7R0.10 O=C(CO)C(O)CO MCULE-9818197491 [1,1,0,0,0,0|1,0,0]=3 1891 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8306776225 [1,1,0,0,0,0|1,0,0]=3 1892 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8666498937 [1,1,0,0,0,0|1,0,0]=3 1893 B7R0.10 O=C(CO)[C@H](O)CO MCULE-7828531161 [1,1,0,0,0,0|1,0,0]=3 1894 B7R0.11 CC(C)(CN)CCO MCULE-8453542373 [1,1,0,0,0,0|1,0,1]=4 1895 B7R0.11 CCOC(C)(C)CN MCULE-5951578625 [1,1,0,0,0,0|1,0,1]=4 1896 B7R0.11 CCOC(C)(C)CN MCULE-9391246326 [1,1,0,0,0,0|1,0,1]=4 1897 B7R0.11 CCOC(F)(F)CN MCULE-4735040149 [1,1,0,0,0,0|1,0,1]=4 1898 B7R0.11 CCOC(F)(F)CN MCULE-4940531700 [1,1,0,0,0,0|1,0,1]=4 1899 B7R0.11 CCOS(=O)(=O)CC MCULE-8806858417 [1,1,0,0,0,0|2,0,0]=4 1900 B7R0.11 CCS(=O)(=O)CCO MCULE-1810929722 [1,1,0,0,0,0|2,0,0]=4 1901 B7R0.12 CCC(CN)CCO MCULE-4612619767 [1,1,0,0,0,0|1,0,1]=4 1902 B7R0.12 CCN(CCO)N=O MCULE-3100234015 [1,1,0,0,0,0|2,0,0]=4 1903 B7R0.12 CCOC(CC)CN MCULE-3206225209 [1,1,0,0,0,0|1,0,1]=4 1904 B7R0.12 CCOC(CC)CN MCULE-9811140121 [1,1,0,0,0,0|1,0,1]=4 1905 B7R0.12 CCOC(CN)CN MCULE-8474624366 [1,1,0,0,0,0|1,0,1]=4 1906 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [1,1,0,0,0,0|2,0,0]=4 1907 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [1,1,0,0,0,0|2,0,0]=4 1908 B7R0.4 C#CCCNC(=O)C MCULE-2003551338 [1,1,0,0,0,0|2,0,0]=4 1909 B7R0.4 C#CCCNC(=O)N MCULE-3889590992 [1,1,0,0,0,0|2,0,0]=4 1910 B7R0.4 C#CCCOC(=O)Cl MCULE-5894719916 [1,1,0,0,0,0|2,0,0]=4 1911 B7R0.4 C#CCCOC(=O)N MCULE-4721276092 [1,1,0,0,0,0|1,0,0]=3 1912 B7R0.4 C/C=C/COC(=O)C MCULE-4948306153 [1,1,0,0,0,0|1,0,1]=4 1913 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [1,1,0,0,0,0|1,0,0]=3 1914 B7R0.4 C=CCCOC(=O)Cl MCULE-1917342500 [1,1,0,0,0,0|2,0,0]=4 1915 B7R0.4 C=CCONC(=O)C MCULE-1401456265 [1,1,0,0,0,0|1,0,1]=4 1916 B7R0.4 CC(=C=CCCO)C MCULE-7603464206 [1,1,0,0,0,0|2,0,0]=4 1917 B7R0.4 CC(=CCCCO)C MCULE-5263952692 [1,1,0,0,0,0|2,0,0]=4 1918 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [1,1,0,0,0,0|2,0,0]=4 1919 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [1,1,0,0,0,0|2,0,0]=4 1920 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [1,1,0,0,0,0|2,0,0]=4 1921 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,1,0,0,0,0|1,0,0]=3 1922 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [1,1,0,0,0,0|1,1,0]=4 1923 B7R0.4 CC(=O)NCCC#N MCULE-1781318297 [1,1,0,0,0,0|2,0,0]=4 1924 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [1,1,0,0,0,0|1,0,1]=4 1925 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [1,1,0,0,0,0|2,0,0]=4 1926 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [1,1,0,0,0,0|2,0,0]=4 1927 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [1,1,0,0,0,0|2,0,0]=4 1928 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [1,1,0,0,0,0|2,0,0]=4 1929 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [1,1,0,0,0,0|1,0,0]=3 1930 B7R0.4 CC(=O)NCCON MCULE-3703048482 [1,1,0,0,0,0|1,0,0]=3 1931 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [1,1,0,0,0,0|1,0,0]=3 1932 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [1,1,0,0,0,0|1,0,0]=3 1933 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [1,1,0,0,0,0|1,0,0]=3 1934 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [1,1,0,0,0,0|0,0,0]=2 1935 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [1,1,0,0,0,0|0,1,0]=3 1936 B7R0.4 CC(=O)SCCC#N MCULE-4159295037 [1,1,0,0,0,0|1,1,0]=4 1937 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [1,1,0,0,0,0|0,1,1]=4 1938 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [1,1,0,0,0,0|1,1,0]=4 1939 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [1,1,0,0,0,0|1,1,0]=4 1940 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [1,1,0,0,0,0|0,1,0]=3 1941 B7R0.4 CC(C)COCCO MCULE-2997702641 [1,1,0,0,0,0|1,0,1]=4 1942 B7R0.4 CC(C)OCCCO MCULE-9280654202 [1,1,0,0,0,0|1,0,1]=4 1943 B7R0.4 CC(C)OCCON MCULE-8218216454 [1,1,0,0,0,0|1,0,1]=4 1944 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [1,1,0,0,0,0|2,0,0]=4 1945 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [1,1,0,0,0,0|2,0,0]=4 1946 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [1,1,0,0,0,0|2,0,0]=4 1947 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [1,1,0,0,0,0|2,0,0]=4 1948 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [1,1,0,0,0,0|2,0,0]=4 1949 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [1,1,0,0,0,0|2,0,0]=4 1950 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [1,1,0,0,0,0|1,0,0]=3 1951 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [1,1,0,0,0,0|2,0,0]=4 1952 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [1,1,0,0,0,0|1,0,0]=3 1953 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [1,1,0,0,0,0|1,1,0]=4 1954 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [1,1,0,0,0,0|2,0,0]=4 1955 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [1,1,0,0,0,0|2,0,0]=4 1956 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,1,0,0,0,0|2,0,0]=4 1957 B7R0.4 CCCOCC(=S)N MCULE-4681127635 [1,1,0,0,0,0|1,1,0]=4 1958 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [1,1,0,0,0,0|1,1,0]=4 1959 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [1,1,0,0,0,0|2,0,0]=4 1960 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [1,1,0,0,0,0|2,0,0]=4 1961 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [1,1,0,0,0,0|2,0,0]=4 1962 B7R0.4 CCOCNC(=O)N MCULE-7680870721 [1,1,0,0,0,0|2,0,0]=4 1963 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [1,1,0,0,0,0|2,0,0]=4 1964 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [1,1,0,0,0,0|2,0,0]=4 1965 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [1,1,0,0,0,0|2,0,0]=4 1966 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [1,1,0,0,0,0|2,0,0]=4 1967 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [1,1,0,0,0,0|1,0,0]=3 1968 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [1,1,0,0,0,0|1,0,0]=3 1969 B7R0.4 COCCCC(=O)C MCULE-3606369396 [1,1,0,0,0,0|1,0,0]=3 1970 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,1,0,0,0,0|2,0,0]=4 1971 B7R0.4 COCCCC(=S)N MCULE-5066867181 [1,1,0,0,0,0|1,1,0]=4 1972 B7R0.4 COCCNC(=N)N MCULE-4122240317 [1,1,0,0,0,0|2,0,0]=4 1973 B7R0.4 COCCNC(=N)N MCULE-5184785677 [1,1,0,0,0,0|2,0,0]=4 1974 B7R0.4 COCCNC(=N)N MCULE-5799549903 [1,1,0,0,0,0|2,0,0]=4 1975 B7R0.4 COCCNC(=O)C MCULE-2794263612 [1,1,0,0,0,0|1,0,0]=3 1976 B7R0.4 COCCNC(=O)N MCULE-1380726553 [1,1,0,0,0,0|1,0,0]=3 1977 B7R0.4 COCCNC(=S)N MCULE-1285240117 [1,1,0,0,0,0|1,1,0]=4 1978 B7R0.4 COCCOC(=O)C MCULE-3221264060 [1,1,0,0,0,0|0,0,0]=2 1979 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [1,1,0,0,0,0|1,0,0]=3 1980 B7R0.4 COCCOC(=O)N MCULE-3401505850 [1,1,0,0,0,0|0,0,0]=2 1981 B7R0.4 COCCSC(=N)N MCULE-2093405339 [1,1,0,0,0,0|1,1,0]=4 1982 B7R0.4 COCCSC(=N)N MCULE-7836023475 [1,1,0,0,0,0|1,1,0]=4 1983 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [1,1,0,0,0,0|1,1,0]=4 1984 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [1,1,0,0,0,0|1,1,0]=4 1985 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [1,1,0,0,0,0|0,1,0]=3 1986 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [1,1,0,0,0,0|2,0,0]=4 1987 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [1,1,0,0,0,0|2,0,0]=4 1988 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,1,0,0,0,0|1,0,0]=3 1989 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [1,1,0,0,0,0|1,0,0]=3 1990 B7R0.4 NC(=O)COCCO MCULE-3158372920 [1,1,0,0,0,0|0,0,0]=2 1991 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [1,1,0,0,0,0|0,1,0]=3 1992 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [1,1,0,0,0,0|1,0,0]=3 1993 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [1,1,0,0,0,0|2,0,0]=4 1994 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [1,1,0,0,0,0|2,0,0]=4 1995 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [1,1,0,0,0,0|2,0,0]=4 1996 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [1,1,0,0,0,0|2,0,0]=4 1997 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,1,0,0,0,0|2,0,0]=4 1998 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,1,0,0,0,0|2,0,0]=4 1999 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,1,0,0,0,0|2,0,0]=4 2000 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,1,0,0,0,0|2,0,0]=4 2001 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [1,1,0,0,0,0|2,0,0]=4 2002 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [1,1,0,0,0,0|2,0,0]=4 2003 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [1,1,0,0,0,0|2,0,0]=4 2004 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [1,1,0,0,0,0|2,0,0]=4 2005 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,1,0,0,0,0|2,0,0]=4 2006 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,1,0,0,0,0|2,0,0]=4 2007 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,1,0,0,0,0|2,0,0]=4 2008 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,1,0,0,0,0|2,0,0]=4 2009 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,1,0,0,0,0|2,0,0]=4 2010 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,1,0,0,0,0|1,0,0]=3 2011 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,1,0,0,0,0|1,1,0]=4 2012 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,1,0,0,0,0|2,0,0]=4 2013 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [1,1,0,0,0,0|1,0,0]=3 2014 B7R0.4 O=N(=O)OCCCO MCULE-3030828224 [1,1,0,0,0,0|2,0,0]=4 2015 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [1,1,0,0,0,0|2,0,0]=4 2016 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [1,1,0,0,0,0|1,0,1]=4 2017 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,1,0,0,0,0|1,0,1]=4 2018 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [1,1,0,0,0,0|2,0,0]=4 2019 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [1,1,0,0,0,0|2,0,0]=4 2020 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [1,1,0,0,0,0|0,0,2]=4 2021 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [1,1,0,0,0,0|1,0,1]=4 2022 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [1,1,0,0,0,0|1,0,0]=3 2023 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [1,1,0,0,0,0|0,0,2]=4 2024 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [1,1,0,0,0,0|0,0,1]=3 2025 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [1,1,0,0,0,0|0,1,1]=4 2026 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [1,1,0,0,0,0|1,0,0]=3 2027 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [1,1,0,0,0,0|0,0,0]=2 2028 B7R0.6 CC(=O)OCC(F)F MCULE-9491615455 [1,1,0,0,0,0|1,0,0]=3 2029 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [1,1,0,0,0,0|0,1,1]=4 2030 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [1,1,0,0,0,0|2,0,0]=4 2031 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [1,1,0,0,0,0|2,0,0]=4 2032 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [1,1,0,0,0,0|2,0,0]=4 2033 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [1,1,0,0,0,0|1,0,0]=3 2034 B7R0.6 CC(C)OC[C@H](C)O MCULE-2195035455 [1,1,0,0,0,0|1,0,1]=4 2035 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [1,1,0,0,0,0|2,0,0]=4 2036 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [1,1,0,0,0,0|2,0,0]=4 2037 B7R0.6 CC(O)COC(C)C MCULE-3357280817 [1,1,0,0,0,0|1,0,1]=4 2038 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [1,1,0,0,0,0|1,0,0]=3 2039 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [1,1,0,0,0,0|1,0,1]=4 2040 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [1,1,0,0,0,0|1,0,1]=4 2041 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [1,1,0,0,0,0|0,1,1]=4 2042 B7R0.6 O=C(Cl)OCC(F)F MCULE-4977819635 [1,1,0,0,0,0|2,0,0]=4 2043 B7R0.8 CC(C)(C)OCCO MCULE-7079168773 [1,1,0,0,0,0|1,0,1]=4 2044 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [1,1,0,0,0,0|2,0,0]=4 2045 B7R0.8 CCCOS(=O)(=O)C MCULE-8443601449 [1,1,0,0,0,0|2,0,0]=4 2046 B7R0.8 CS(=O)(=O)CCCO MCULE-6816358475 [1,1,0,0,0,0|2,0,0]=4 2047 B7R0.8 CS(=O)(=O)NCCO MCULE-2565384564 [1,1,0,0,0,0|2,0,0]=4 2048 B7R0.8 CS(=O)(=O)OCCCl MCULE-8198079010 [1,1,0,0,0,0|2,0,0]=4 2049 B7R0.8 CS(=O)(=O)OCCF MCULE-7277769013 [1,1,0,0,0,0|2,0,0]=4 2050 B7R0.8 CS(=O)(=S)OCCBr MCULE-3017854867 [1,1,0,0,0,0|2,0,0]=4 2051 B7R0.8 CS(=O)(=S)OCCN MCULE-7727893446 [1,1,0,0,0,0|2,0,0]=4 2052 B7R0.8 CS(=O)(=S)OCCN MCULE-8197856093 [1,1,0,0,0,0|2,0,0]=4 2053 B7R0.8 C[Si](C)(C)OCCO MCULE-3523451816 [1,1,0,0,0,0|1,1,0]=4 2054 B7R0.1 C=CCCOCCN MCULE-5958891740 [1,1,0,0,0,0|1,0,1]=4 2055 B7R0.1 C=CCCOCCO MCULE-5369849290 [1,1,0,0,0,0|1,0,1]=4 2056 B7R0.1 CC/C=C\CCCO MCULE-7890119012 [1,1,0,0,0,0|2,0,0]=4 2057 B7R0.1 CCC=CCCCO MCULE-9620732691 [1,1,0,0,0,0|2,0,0]=4 2058 B7R0.1 CCCCOCCN MCULE-1817743996 [1,1,0,0,0,0|1,0,1]=4 2059 B7R0.1 CCCCOCCN MCULE-3658840205 [1,1,0,0,0,0|1,0,1]=4 2060 B7R0.1 CCCCOCCO MCULE-1727546427 [1,1,0,0,0,0|1,0,1]=4 2061 B7R0.1 CCCCOCCO MCULE-4417721312 [1,1,0,0,0,0|1,0,1]=4 2062 B7R0.1 CCCOCCCN MCULE-5875738973 [1,1,0,0,0,0|1,0,1]=4 2063 B7R0.1 CNCCCCCO MCULE-2988249730 [1,1,0,0,0,0|1,0,1]=4 2064 B7R0.1 CNCCCCCO MCULE-8033733525 [1,1,0,0,0,0|1,0,1]=4 2065 B7R0.1 CNCCOCCCl MCULE-4700720996 [1,1,0,0,0,0|1,0,1]=4 2066 B7R0.1 CNCCOCCCl MCULE-6741879544 [1,1,0,0,0,0|1,0,1]=4 2067 B7R0.1 CNCCOCCN MCULE-8077914280 [1,1,0,0,0,0|1,0,1]=4 2068 B7R0.1 CNCCOCCO MCULE-7869540361 [1,1,0,0,0,0|0,0,1]=3 2069 B7R0.1 COCCCCCN MCULE-2109050097 [1,1,0,0,0,0|1,0,1]=4 2070 B7R0.1 COCCNCCN MCULE-4860380919 [1,1,0,0,0,0|1,0,1]=4 2071 B7R0.1 COCCNCCN MCULE-8558629867 [1,1,0,0,0,0|1,0,1]=4 2072 B7R0.1 COCCOCCBr MCULE-7766640443 [1,1,0,0,0,0|1,0,1]=4 2073 B7R0.1 COCCOCCCl MCULE-5502842762 [1,1,0,0,0,0|1,0,1]=4 2074 B7R0.1 COCCOCCI MCULE-4051748367 [1,1,0,0,0,0|1,0,1]=4 2075 B7R0.1 COCCOCCN MCULE-7016705271 [1,1,0,0,0,0|0,0,1]=3 2076 B7R0.1 COCCOCCO MCULE-4230242952 [1,1,0,0,0,0|1,0,1]=4 2077 B7R0.1 COCCOCCS MCULE-5015015605 [1,1,0,0,0,0|1,0,1]=4 2078 B7R0.1 N#CCCOCCN MCULE-6674432245 [1,1,0,0,0,0|1,0,1]=4 2079 B7R0.1 N#CCCOCCN MCULE-8115918193 [1,1,0,0,0,0|1,0,1]=4 2080 B7R0.1 N#CCCOCCO MCULE-4006569384 [1,1,0,0,0,0|0,0,2]=4 2081 B7R0.1 NCCCCCCO MCULE-2264326846 [1,1,0,0,0,0|1,0,1]=4 2082 B7R0.1 NCCCNCCO MCULE-1084481336 [1,1,0,0,0,0|1,0,1]=4 2083 B7R0.1 NCCCOCCO MCULE-7244821044 [1,1,0,0,0,0|0,0,1]=3 2084 B7R0.1 NCCNCCCO MCULE-6476789217 [1,1,0,0,0,0|1,0,1]=4 2085 B7R0.1 NCCOCCCO MCULE-2435588099 [1,1,0,0,0,0|0,0,1]=3 2086 B7R0.1 NCCOCCCO MCULE-9188421727 [1,1,0,0,0,0|0,0,1]=3 2087 B7R0.1 NCCSCCCO MCULE-1578023056 [1,1,0,0,0,0|0,1,1]=4 2088 B7R0.1 NCCSSCCO MCULE-1512873976 [1,1,0,0,0,0|0,1,1]=4 2089 B7R0.1 NOCCOCCO MCULE-7815173940 [1,1,0,0,0,0|0,0,1]=3 2090 B7R0.1 OCCC=CCCO MCULE-7933051592 [1,1,0,0,0,0|2,0,0]=4 2091 B7R0.1 OCCCOCCCl MCULE-9172390990 [1,1,0,0,0,0|1,0,1]=4 2092 B7R0.1 OCCOCCCBr MCULE-3397483886 [1,1,0,0,0,0|1,0,1]=4 2093 B9R0.4 CC(=O)CC(=O)NCCO MCULE-5180986682 [0,2,0,0,0,0|2,0,0]=4 2094 B9R0.4 CC(=O)CC(=O)OCCO MCULE-4808732225 [0,2,0,0,0,0|1,0,0]=3 2095 B9R0.4 CCCOC(=O)C=C(C)N MCULE-6519651610 [0,2,0,0,0,0|1,0,1]=4 2096 B9R0.4 CCCOC(=O)CC(=O)C MCULE-3887940392 [0,2,0,0,0,0|2,0,0]=4 2097 B9R0.4 CCCOC(=O)CC(C)C MCULE-5746319400 [0,2,0,0,0,0|2,0,0]=4 2098 B9R0.4 CN(C)CC(=O)NCCN MCULE-2214114954 [0,2,0,0,0,0|2,0,0]=4 2099 B9R0.5 CCCCNC(=O)CCN MCULE-2531611147 [0,2,0,0,0,0|2,0,0]=4 2100 B9R0.5 CCCCNC(=O)CCN MCULE-7050182017 [0,2,0,0,0,0|2,0,0]=4 2101 B9R0.5 CCCCNC(=O)CNC MCULE-1485408728 [0,2,0,0,0,0|2,0,0]=4 2102 B9R0.5 CCCCNC(=O)CNC MCULE-6940946322 [0,2,0,0,0,0|2,0,0]=4 2103 B9R0.5 CCCCOC(=O)CC#N MCULE-1510363972 [0,2,0,0,0,0|1,0,1]=4 2104 B9R0.5 CCCCOC(=O)CCC MCULE-3979612740 [0,2,0,0,0,0|2,0,0]=4 2105 B9R0.5 CCCCOC(=O)CCS MCULE-4889334808 [0,2,0,0,0,0|2,0,0]=4 2106 B9R0.5 CCCCOC(=O)CON MCULE-1664882724 [0,2,0,0,0,0|1,0,0]=3 2107 B9R0.5 CCNC(=O)CCCCO MCULE-9325293372 [0,2,0,0,0,0|2,0,0]=4 2108 B9R0.5 CCNC(=O)NCCCO MCULE-9582031605 [0,2,0,0,0,0|2,0,0]=4 2109 B9R0.5 CCOC(=O)C=CCCO MCULE-2905144053 [0,2,0,0,0,0|2,0,0]=4 2110 B9R0.5 CCOC(=O)CCCCO MCULE-3157415426 [0,2,0,0,0,0|2,0,0]=4 2111 B9R0.5 CCOC(=O)COCCBr MCULE-4604862482 [0,2,0,0,0,0|2,0,0]=4 2112 B9R0.5 CCOC(=O)COCCCl MCULE-9218281344 [0,2,0,0,0,0|2,0,0]=4 2113 B9R0.5 CCOC(=O)COCCI MCULE-7705777158 [0,2,0,0,0,0|2,0,0]=4 2114 B9R0.5 CCOC(=O)COCCN MCULE-7738890913 [0,2,0,0,0,0|2,0,0]=4 2115 B9R0.5 CCOC(=O)COCCN MCULE-8436568303 [0,2,0,0,0,0|2,0,0]=4 2116 B9R0.5 CNCC(=O)NCCCO MCULE-5031724612 [0,2,0,0,0,0|1,0,0]=3 2117 B9R0.5 CNCC(=O)NCCCO MCULE-6380131589 [0,2,0,0,0,0|1,0,0]=3 2118 B9R0.5 CNCC(=O)NCCOC MCULE-1027964944 [0,2,0,0,0,0|1,0,0]=3 2119 B9R0.5 CNCC(=O)NCCOC MCULE-5354979122 [0,2,0,0,0,0|1,0,0]=3 2120 B9R0.5 COCCNC(=O)CC#N MCULE-9416468083 [0,2,0,0,0,0|1,0,1]=4 2121 B9R0.5 COCCNC(=O)CCN MCULE-7739987456 [0,2,0,0,0,0|1,0,0]=3 2122 B9R0.5 COCCNC(=O)CCN MCULE-7996276176 [0,2,0,0,0,0|1,0,0]=3 2123 B9R0.5 COCCOC(=O)CC#N MCULE-9612502651 [0,2,0,0,0,0|0,0,1]=3 2124 B9R0.5 NCCC(=O)NCCCO MCULE-1806258951 [0,2,0,0,0,0|1,0,0]=3 2125 B9R0.5 NCCC(=O)NCCCO MCULE-8748864023 [0,2,0,0,0,0|1,0,0]=3 2126 B9R0.8 C=CC(O)C(=O)OCCC MCULE-8001887534 [0,2,0,0,0,0|2,0,0]=4 2127 B9R0.8 CCCCN(C)C(=O)CN MCULE-5896003664 [0,2,0,0,0,0|2,0,0]=4 2128 B9R0.8 CCCCN(C)C(=O)CN MCULE-6384648244 [0,2,0,0,0,0|2,0,0]=4 2129 B9R0.8 CCCNC(=O)C(N)CC MCULE-5211144002 [0,2,0,0,0,0|2,0,0]=4 2130 B9R0.8 CCCNC(=O)[C@@H](N)CC MCULE-5473492504 [0,2,0,0,0,0|2,0,0]=4 2131 B9R0.8 CCCNC(=O)[C@@H](N)CC MCULE-7680643292 [0,2,0,0,0,0|2,0,0]=4 2132 B9R0.8 CCCOC(=O)C(C)CC MCULE-6816621931 [0,2,0,0,0,0|2,0,0]=4 2133 B9R0.8 CCCOC(=O)C(Cl)CC MCULE-4551358042 [0,2,0,0,0,0|2,0,0]=4 2134 B9R0.8 CCCOC(=O)C(O)CO MCULE-8417972941 [0,2,0,0,0,0|2,0,0]=4 2135 B9R0.8 CNC(=O)C(=O)NCCO MCULE-5696756358 [0,2,0,0,0,0|1,0,1]=4 2136 B9R0.18 C=CCOC(=O)NCCN MCULE-6421369037 [0,2,0,0,0,0|1,0,1]=4 2137 B9R0.18 C=CCOC(=O)NCCN MCULE-6961623399 [0,2,0,0,0,0|1,0,1]=4 2138 B9R0.18 C=CCOC(=O)NCCO MCULE-4702516756 [0,2,0,0,0,0|2,0,0]=4 2139 B9R0.18 CCCCC(=O)OCCC MCULE-9801353359 [0,2,0,0,0,0|2,0,0]=4 2140 B9R0.18 CCCOC(=O)OCCC MCULE-9166999585 [0,2,0,0,0,0|2,0,0]=4 2141 B9R0.18 O=C(CCCO)NCCO MCULE-3037964082 [0,2,0,0,0,0|2,0,0]=4 2142 B9R0.18 O=C(NCCCl)OCCCl MCULE-4847419924 [0,2,0,0,0,0|2,0,0]=4 2143 B9R0.18 O=C(NCCO)NCCO MCULE-5800820607 [0,2,0,0,0,0|2,0,0]=4 2144 B9R0.18 O=C(OCCCl)OCCCl MCULE-1847610200 [0,2,0,0,0,0|2,0,0]=4 2145 B9R0.34 CCC(=O)OC(C)COC MCULE-8750401706 [0,2,0,0,0,0|1,0,0]=3 2146 B9R0.34 CCC(C)NC(=O)CCN MCULE-2185039427 [0,2,0,0,0,0|2,0,0]=4 2147 B9R0.34 CCC(C)NC(=O)CCN MCULE-4362201629 [0,2,0,0,0,0|2,0,0]=4 2148 B9R0.34 CCC(C)NC(=O)CNC MCULE-1236971937 [0,2,0,0,0,0|2,0,0]=4 2149 B9R0.34 CCC(C)NC(=O)CNC MCULE-5210348292 [0,2,0,0,0,0|2,0,0]=4 2150 B9R0.34 CCCC(=O)OC(C)CC MCULE-2445269271 [0,2,0,0,0,0|2,0,0]=4 2151 B9R0.34 CCOC(=O)CC(N)CO MCULE-1698986423 [0,2,0,0,0,0|2,0,0]=4 2152 B9R0.34 CCOC(=O)CC(N)CO MCULE-3133814849 [0,2,0,0,0,0|2,0,0]=4 2153 B9R0.34 CCOC(=O)CC(O)CO MCULE-8896194093 [0,2,0,0,0,0|2,0,0]=4 2154 B9R0.34 COCC(C)NC(=O)CCl MCULE-9530666430 [0,2,0,0,0,0|2,0,0]=4 2155 B9R0.35 CCOC(=O)N(C)CCO MCULE-4943831031 [0,2,0,0,0,0|2,0,0]=4 2156 B9R0.35 CN(CCO)C(=O)CCN MCULE-2929969587 [0,2,0,0,0,0|1,0,0]=3 2157 B9R0.35 CN(CCO)C(=O)CCN MCULE-7952591700 [0,2,0,0,0,0|1,0,0]=3 2158 B9R0.35 CNCC(=O)N(C)CCO MCULE-4040396943 [0,2,0,0,0,0|1,0,0]=3 2159 B9R0.35 CNCC(=O)N(C)CCO MCULE-5678229542 [0,2,0,0,0,0|1,0,0]=3 2160 B9R0.48 CC(C)CNC(=O)CCN MCULE-7083686964 [0,2,0,0,0,0|2,0,0]=4 2161 B9R0.48 CC(C)CNC(=O)CCN MCULE-7684008911 [0,2,0,0,0,0|2,0,0]=4 2162 B9R0.48 CC(C)COC(=O)CC#N MCULE-5823127076 [0,2,0,0,0,0|1,0,1]=4 2163 B9R0.48 CCCC(=O)OCC(C)C MCULE-5762939087 [0,2,0,0,0,0|2,0,0]=4 2164 B9R0.48 CCOC(=O)NCC(C)O MCULE-7884037300 [0,2,0,0,0,0|2,0,0]=4 2165 B9R0.48 CCOC(=O)OCC(C)C MCULE-5874029260 [0,2,0,0,0,0|2,0,0]=4 2166 B9R0.48 CCOC(=O)OCC(F)F MCULE-3788806882 [0,2,0,0,0,0|2,0,0]=4 2167 B9R0.48 CNCC(=O)NCC(C)C MCULE-1773053806 [0,2,0,0,0,0|2,0,0]=4 2168 B9R0.48 CNCC(=O)NCC(C)C MCULE-9008491493 [0,2,0,0,0,0|2,0,0]=4 2169 B9R0.48 NCCC(=O)NCC(=O)O MCULE-4396558835 [0,2,0,0,0,0|1,0,1]=4 2170 B9R0.48 NCCC(=O)NCC(=O)O MCULE-9256160395 [0,2,0,0,0,0|1,0,1]=4 2171 B9R0.6 CC(N)C(=O)N(C)CCO MCULE-4544385425 [0,2,0,0,0,0|1,0,0]=3 2172 B9R0.6 CC(N)C(=O)N(C)CCO MCULE-8214577225 [0,2,0,0,0,0|1,0,0]=3 2173 B9R0.12 CCN(CCO)C(=O)CN MCULE-1566792462 [0,2,0,0,0,0|1,0,0]=3 2174 B9R0.12 CCN(CCO)C(=O)CN MCULE-9506340379 [0,2,0,0,0,0|1,0,0]=3 2175 B9R0.23 CN(CC(=O)O)C(=O)CN MCULE-9356220331 [0,2,0,0,0,0|1,0,1]=4 2176 B9R0.27 O=C(CO)C(O)C(O)CO MCULE-8935556784 [0,2,0,0,0,0|2,0,0]=4 2177 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-2725905076 [0,2,0,0,0,0|2,0,0]=4 2178 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-9876605173 [0,2,0,0,0,0|2,0,0]=4 2179 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-7865729102 [0,2,0,0,0,0|2,0,0]=4 2180 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-9552269577 [0,2,0,0,0,0|2,0,0]=4 2181 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO MCULE-2032052659 [0,2,0,0,0,0|2,0,0]=4 2182 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO MCULE-5136624528 [0,2,0,0,0,0|2,0,0]=4 2183 B9R0.1 C=CC(=O)OCCC(=O)O MCULE-6407187257 [0,2,0,0,0,0|1,0,1]=4 2184 B9R0.1 CC(C)CCOC(=O)CCl MCULE-3110922497 [0,2,0,0,0,0|2,0,0]=4 2185 B9R0.1 CC(C)CCOC(=O)CS MCULE-8135594899 [0,2,0,0,0,0|2,0,0]=4 2186 B9R0.1 CC(O)CCNC(=O)CN MCULE-2254047793 [0,2,0,0,0,0|1,0,0]=3 2187 B9R0.1 CC(O)CCNC(=O)CN MCULE-3406589793 [0,2,0,0,0,0|1,0,0]=3 2188 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [0,2,0,0,0,0|2,0,0]=4 2189 B9R0.1 CCC(=O)NCCC(=O)O MCULE-8290753533 [0,2,0,0,0,0|2,0,0]=4 2190 B9R0.1 CCC(=O)OCCC(C)C MCULE-3753568890 [0,2,0,0,0,0|2,0,0]=4 2191 B9R0.1 CN(C)CCNC(=O)CN MCULE-2237593119 [0,2,0,0,0,0|2,0,0]=4 2192 B9R0.1 CN(C)CCNC(=O)CN MCULE-2770226063 [0,2,0,0,0,0|2,0,0]=4 2193 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [0,2,0,0,0,0|1,0,0]=3 2194 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [0,2,0,0,0,0|1,0,0]=3 2195 B9R0.1 NCC(=O)NCCC(=O)N MCULE-3860393064 [0,2,0,0,0,0|1,0,1]=4 2196 B9R0.1 NCC(=O)NCCC(=O)N MCULE-8788981043 [0,2,0,0,0,0|1,0,1]=4 2197 B9R0.1 NCC(=O)ONCC(=O)O MCULE-2802022381 [0,2,0,0,0,0|0,0,1]=3 2198 B9R0.1 O=C(O)CCNC(=O)CBr MCULE-6072289927 [0,2,0,0,0,0|2,0,0]=4 2199 B9R0.1 O=C(O)CCNC(=O)CCl MCULE-4076619762 [0,2,0,0,0,0|2,0,0]=4 2200 B9R0.1 O=C(O)CCNC(=O)CO MCULE-2710668626 [0,2,0,0,0,0|2,0,0]=4 2201 B9R0.20 COCCOC(C)(C)CN MCULE-6559489225 [0,2,0,0,0,0|1,0,1]=4 2202 B9R0.24 CCC(O)CCC(=O)NN MCULE-1166870258 [0,2,0,0,0,0|2,0,0]=4 2203 B9R0.24 COC(=O)CCC(=O)CN MCULE-7356254100 [0,2,0,0,0,0|1,0,1]=4 2204 B9R0.24 COC(=O)CCC(=O)CN MCULE-8571939531 [0,2,0,0,0,0|1,0,1]=4 2205 B9R0.24 COC(=O)CNC(=O)CN MCULE-8016204677 [0,2,0,0,0,0|1,0,1]=4 2206 B9R0.24 COC(=O)CNC(=O)CN MCULE-8572365948 [0,2,0,0,0,0|1,0,1]=4 2207 B9R0.24 O=C(CCl)NCC(O)CO MCULE-8204242344 [0,2,0,0,0,0|2,0,0]=4 2208 B9R0.24 O=C(CS)OCC(O)CO MCULE-2071903342 [0,2,0,0,0,0|1,0,0]=3 2209 B9R0.46 C=CC(=O)OCCCCO MCULE-5659811687 [0,2,0,0,0,0|1,0,1]=4 2210 B9R0.46 C=CC(=O)OCCOCC MCULE-4004586372 [0,2,0,0,0,0|1,0,1]=4 2211 B9R0.46 CCCCCOC(=O)CBr MCULE-3749700207 [0,2,0,0,0,0|2,0,0]=4 2212 B9R0.46 CCCCCOC(=O)CC MCULE-6912037911 [0,2,0,0,0,0|2,0,0]=4 2213 B9R0.46 CCCCCOC(=O)CCl MCULE-6254869186 [0,2,0,0,0,0|2,0,0]=4 2214 B9R0.46 CCCCCOC(=O)CN MCULE-1223174561 [0,2,0,0,0,0|1,0,0]=3 2215 B9R0.46 CCCCCOC(=O)CS MCULE-8048926704 [0,2,0,0,0,0|2,0,0]=4 2216 B9R0.46 CCCCCOC(=O)C[NH3+] MCULE-4653269874 [0,2,0,0,0,0|1,0,1]=4 2217 B9R0.46 CCOCCNC(=O)CBr MCULE-7302467270 [0,2,0,0,0,0|2,0,0]=4 2218 B9R0.46 CCOCCNC(=O)CCl MCULE-2519961708 [0,2,0,0,0,0|2,0,0]=4 2219 B9R0.46 CCOCCOC(=O)CCl MCULE-7090448266 [0,2,0,0,0,0|1,0,0]=3 2220 B9R0.46 COC(=O)CCOCCO MCULE-2103874995 [0,2,0,0,0,0|2,0,0]=4 2221 B9R0.46 COCCCNC(=O)CBr MCULE-4697485743 [0,2,0,0,0,0|2,0,0]=4 2222 B9R0.46 COCCCNC(=O)CCl MCULE-4209508475 [0,2,0,0,0,0|2,0,0]=4 2223 B9R0.46 COCCCNC(=O)CN MCULE-7060884264 [0,2,0,0,0,0|1,0,0]=3 2224 B9R0.46 COCCCNC(=O)CN MCULE-9864887903 [0,2,0,0,0,0|1,0,0]=3 2225 B9R0.46 COCCCNC(=O)NN MCULE-3220013672 [0,2,0,0,0,0|2,0,0]=4 2226 B9R0.46 COCCOCC(=O)NN MCULE-9758661178 [0,2,0,0,0,0|1,0,0]=3 2227 B9R0.46 COCCOCC(=O)OC MCULE-4614657424 [0,2,0,0,0,0|2,0,0]=4 2228 B9R0.46 CSCCCOC(=O)CS MCULE-1717586262 [0,2,0,0,0,0|1,1,0]=4 2229 B9R0.46 NNC(=O)CCCCCO MCULE-7442906607 [0,2,0,0,0,0|2,0,0]=4 2230 B9R0.46 O=C(CBr)OCCCCBr MCULE-6257815874 [0,2,0,0,0,0|2,0,0]=4 2231 B9R0.47 C=C(C)C(=O)OCCCO MCULE-6773293752 [0,2,0,0,0,0|1,0,1]=4 2232 B9R0.47 C=C(C)C(=O)OCCOC MCULE-3036575292 [0,2,0,0,0,0|1,0,1]=4 2233 B9R0.47 C=CCCOC(=O)C(C)O MCULE-6495170177 [0,2,0,0,0,0|2,0,0]=4 2234 B9R0.47 CC(Cl)C(=O)NCCCO MCULE-7066986919 [0,2,0,0,0,0|2,0,0]=4 2235 B9R0.47 CC(N)C(=O)NCCCO MCULE-4102482572 [0,2,0,0,0,0|1,0,0]=3 2236 B9R0.47 CC(N)C(=O)NCCCO MCULE-8994648355 [0,2,0,0,0,0|1,0,0]=3 2237 B9R0.47 CC(O)C(=O)OCCCCl MCULE-6569752658 [0,2,0,0,0,0|2,0,0]=4 2238 B9R0.47 CCCCNC(=O)C(C)N MCULE-4253248059 [0,2,0,0,0,0|2,0,0]=4 2239 B9R0.47 CCCCNC(=O)C(C)N MCULE-8572862511 [0,2,0,0,0,0|2,0,0]=4 2240 B9R0.47 CCCCOC(=O)C(=O)N MCULE-6311547398 [0,2,0,0,0,0|1,0,1]=4 2241 B9R0.47 CCCCOC(=O)C(C)Br MCULE-6889056012 [0,2,0,0,0,0|2,0,0]=4 2242 B9R0.47 CCCCOC(=O)C(C)C MCULE-8044191721 [0,2,0,0,0,0|2,0,0]=4 2243 B9R0.47 CCCCOC(=O)C(C)Cl MCULE-6249824991 [0,2,0,0,0,0|2,0,0]=4 2244 B9R0.47 CCCCOC(=O)C(C)N MCULE-6698387089 [0,2,0,0,0,0|1,0,0]=3 2245 B9R0.47 CCCCOC(=O)C(C)N MCULE-7945035592 [0,2,0,0,0,0|1,0,0]=3 2246 B9R0.47 CCCCOC(=O)C(C)O MCULE-5462693192 [0,2,0,0,0,0|2,0,0]=4 2247 B9R0.47 CCCCOC(=O)C(Cl)Cl MCULE-2967525519 [0,2,0,0,0,0|2,0,0]=4 2248 B9R0.47 CCCCOC(=O)C(F)F MCULE-5754415437 [0,2,0,0,0,0|2,0,0]=4 2249 B9R0.47 CCCCOC(=O)C(O)O MCULE-4196473277 [0,2,0,0,0,0|2,0,0]=4 2250 B9R0.47 CCCCOC(=O)[C@H](C)N MCULE-2792391954 [0,2,0,0,0,0|1,0,0]=3 2251 B9R0.47 CCCCOC(=O)[C@H](C)N MCULE-6349393296 [0,2,0,0,0,0|1,0,0]=3 2252 B9R0.47 CCCCOC(=O)[C@H](C)N MCULE-8849216267 [0,2,0,0,0,0|1,0,0]=3 2253 B9R0.47 CCCCOC(=O)[C@H](C)N MCULE-9489465885 [0,2,0,0,0,0|1,0,0]=3 2254 B9R0.47 CCCCOC(=O)[C@H](C)O MCULE-5423028657 [0,2,0,0,0,0|2,0,0]=4 2255 B9R0.47 CCCCOC(=O)[C@H](C)O MCULE-8076552166 [0,2,0,0,0,0|2,0,0]=4 2256 B9R0.47 COCCNC(=O)C(C)Cl MCULE-7231792518 [0,2,0,0,0,0|2,0,0]=4 2257 B9R0.47 COCCNC(=O)C(C)N MCULE-4247657539 [0,2,0,0,0,0|1,0,0]=3 2258 B9R0.47 COCCNC(=O)C(C)N MCULE-9436851429 [0,2,0,0,0,0|1,0,0]=3 2259 B9R0.47 COCCNC(=O)C(C)O MCULE-8240150853 [0,2,0,0,0,0|2,0,0]=4 2260 B9R0.47 COCCNC(=O)[C@H](C)N MCULE-3419626351 [0,2,0,0,0,0|1,0,0]=3 2261 B9R0.47 COCCNC(=O)[C@H](C)N MCULE-8112980094 [0,2,0,0,0,0|1,0,0]=3 2262 B9R0.47 COCCOC(=O)C(C)Cl MCULE-8883453114 [0,2,0,0,0,0|1,0,0]=3 2263 B9R0.3 CC(C)(Br)C(=O)NCCO MCULE-7673908184 [0,2,0,0,0,0|2,0,0]=4 2264 B9R0.3 CC(C)(Br)C(=O)OCCO MCULE-2324139020 [0,2,0,0,0,0|1,0,0]=3 2265 B9R0.3 CC(C)(C)C(=O)NCCO MCULE-8119043794 [0,2,0,0,0,0|2,0,0]=4 2266 B9R0.3 CC(C)(C)C(=O)SCCO MCULE-3083932481 [0,2,0,0,0,0|1,1,0]=4 2267 B9R0.3 CC(C)(N)C(=O)NCCO MCULE-7980989268 [0,2,0,0,0,0|1,0,0]=3 2268 B9R0.3 CC(C)(N)C(=O)NCCO MCULE-8606470281 [0,2,0,0,0,0|1,0,0]=3 2269 B9R0.3 CC(F)(F)C(=O)NCCO MCULE-6393883150 [0,2,0,0,0,0|2,0,0]=4 2270 B9R0.3 CCCNC(=O)C(C)(C)N MCULE-1048008230 [0,2,0,0,0,0|2,0,0]=4 2271 B9R0.3 CCCNC(=O)C(C)(C)N MCULE-2952387767 [0,2,0,0,0,0|2,0,0]=4 2272 B9R0.3 CCCOC(=O)C(C)(C)C MCULE-6663930263 [0,2,0,0,0,0|2,0,0]=4 2273 B9R0.3 CCCOC(=O)C(C)(C)N MCULE-3846210850 [0,2,0,0,0,0|1,0,0]=3 2274 B9R0.3 CCCOC(=O)C(C)(C)N MCULE-9962364489 [0,2,0,0,0,0|1,0,0]=3 2275 B9R0.3 CCCOC(=O)C(C)(Cl)Cl MCULE-1563017978 [0,2,0,0,0,0|2,0,0]=4 2276 B9R0.3 CCCOC(=O)C(Cl)(Cl)Cl MCULE-2874800479 [0,2,0,0,0,0|2,0,0]=4 2277 B9R0.3 O=C(CCCO)C(F)(F)F MCULE-9794740103 [0,2,0,0,0,0|2,0,0]=4 2278 B9R0.3 O=C(NCCO)C(F)(F)F MCULE-2014101593 [0,2,0,0,0,0|2,0,0]=4 2279 B9R0.3 O=C(OCCBr)C(F)(F)F MCULE-3961017265 [0,2,0,0,0,0|2,0,0]=4 2280 B9R0.3 O=C(OCCCl)C(F)(F)F MCULE-6689859958 [0,2,0,0,0,0|2,0,0]=4 2281 B9R0.7 C=C(C)C(=O)OCC(C)O MCULE-1746292831 [0,2,0,0,0,0|1,0,1]=4 2282 B9R0.7 CC(C)CNC(=O)C(C)N MCULE-5163822478 [0,2,0,0,0,0|2,0,0]=4 2283 B9R0.7 CC(C)CNC(=O)C(C)N MCULE-9239085405 [0,2,0,0,0,0|2,0,0]=4 2284 B9R0.7 CC(C)COC(=O)C(C)Br MCULE-5870580086 [0,2,0,0,0,0|2,0,0]=4 2285 B9R0.7 CC(C)COC(=O)C(C)C MCULE-3562975466 [0,2,0,0,0,0|2,0,0]=4 2286 B9R0.7 CC(C)COC(=O)C(C)Cl MCULE-5382228379 [0,2,0,0,0,0|2,0,0]=4 2287 B9R0.7 CC(C)COC(=O)C(C)N MCULE-3665609003 [0,2,0,0,0,0|1,0,0]=3 2288 B9R0.7 CC(C)COC(=O)C(C)N MCULE-8072529418 [0,2,0,0,0,0|1,0,0]=3 2289 B9R0.7 CC(C)COC(=O)C(C)O MCULE-7595924502 [0,2,0,0,0,0|2,0,0]=4 2290 B9R0.7 CC(C)COC(=O)[C@H](C)Cl MCULE-8175110499 [0,2,0,0,0,0|2,0,0]=4 2291 B9R0.7 CC(C)COC(=O)[C@H](C)N MCULE-7079033026 [0,2,0,0,0,0|1,0,0]=3 2292 B9R0.7 CC(C)COC(=O)[C@H](C)N MCULE-7353833369 [0,2,0,0,0,0|1,0,0]=3 2293 B9R0.7 CC(C)COC(=O)[C@H](C)N MCULE-9195007962 [0,2,0,0,0,0|1,0,0]=3 2294 B9R0.7 CC(C)COC(=O)[C@H](C)N MCULE-9275883797 [0,2,0,0,0,0|1,0,0]=3 2295 B9R0.7 CC(N)C(=O)NCC(=O)O MCULE-5334499783 [0,2,0,0,0,0|1,0,1]=4 2296 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-1572586456 [0,2,0,0,0,0|1,0,1]=4 2297 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-2334963197 [0,2,0,0,0,0|1,0,1]=4 2298 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-3041567092 [0,2,0,0,0,0|1,0,1]=4 2299 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-5810433569 [0,2,0,0,0,0|1,0,1]=4 2300 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-1231323853 [0,2,0,0,0,0|1,0,1]=4 2301 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-6793382418 [0,2,0,0,0,0|1,0,1]=4 2302 B9R0.7 O=C(OCC(F)F)C(F)F MCULE-4765335569 [0,2,0,0,0,0|2,0,0]=4 2303 B9R0.13 CC(C)C(CN)OCCO MCULE-5964138509 [0,2,0,0,0,0|1,0,1]=4 2304 B9R0.13 CCC(OCCO)C(=O)O MCULE-6934668694 [0,2,0,0,0,0|1,0,1]=4 2305 B9R0.42 C=C(C)C(=O)OC(C)CO MCULE-3069032725 [0,2,0,0,0,0|1,0,1]=4 2306 B9R0.42 CC(NC(=O)CN)C(=O)O MCULE-2027405418 [0,2,0,0,0,0|1,0,1]=4 2307 B9R0.42 CCC(=O)OC(Cl)C(C)C MCULE-7015649318 [0,2,0,0,0,0|2,0,0]=4 2308 B9R0.42 CCC(C)NC(=O)C(C)N MCULE-6470935908 [0,2,0,0,0,0|2,0,0]=4 2309 B9R0.42 CCC(C)NC(=O)C(C)N MCULE-9652796484 [0,2,0,0,0,0|2,0,0]=4 2310 B9R0.42 C[C@H](NC(=O)CN)C(=O)O MCULE-2496637228 [0,2,0,0,0,0|1,0,1]=4 2311 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,2,0,0,0,0|1,0,1]=4 2312 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,2,0,0,0,0|1,0,1]=4 2313 B9R0.42 [C@@H](C)(NC(=O)CN)C(=O)O MCULE-7578084271 [0,2,0,0,0,0|1,0,1]=4 2314 B9R0.21 CC(C)(C)COC(=O)NN MCULE-3315229868 [0,2,0,0,0,0|2,0,0]=4 2315 B9R0.21 CC(C)(C)COC(=O)NN MCULE-9469222690 [0,2,0,0,0,0|2,0,0]=4 2316 B9R0.21 NCC(=O)NCC(F)(F)F MCULE-5018394532 [0,2,0,0,0,0|2,0,0]=4 2317 B9R0.21 NCC(=O)NCC(F)(F)F MCULE-7989550239 [0,2,0,0,0,0|2,0,0]=4 2318 B9R0.21 NNC(=O)OCC(F)(F)F MCULE-5758039073 [0,2,0,0,0,0|2,0,0]=4 2319 B9R0.21 NNC(=O)OCC(F)(F)F MCULE-6319761107 [0,2,0,0,0,0|2,0,0]=4 2320 B9R0.21 O=C(CBr)OCC(F)(F)F MCULE-6714473998 [0,2,0,0,0,0|2,0,0]=4 2321 B9R0.22 CC(C)(CO)NC(=O)CCl MCULE-9318061619 [0,2,0,0,0,0|2,0,0]=4 2322 B9R0.22 CC(C)(CO)NC(=O)CN MCULE-2929837789 [0,2,0,0,0,0|1,0,0]=3 2323 B9R0.22 CC(C)(CO)NC(=O)CN MCULE-8779999945 [0,2,0,0,0,0|1,0,0]=3 2324 B7R1.1 C1(CCOC1)CN MCULE-1674920995 [1,0,0,1,0,0|1,0,1]=4 2325 B7R1.1 C1(CCOC1)CN MCULE-9715233219 [1,0,0,1,0,0|1,0,1]=4 2326 B7R1.1 CCC1=NCCO1 MCULE-3838550511 [1,0,0,1,0,0|2,0,0]=4 2327 B7R1.1 ClCC1=NCCO1 MCULE-8789331570 [1,0,0,1,0,0|2,0,0]=4 2328 B7R1.1 ClCC1=NOCC1 MCULE-8714304275 [1,0,0,1,0,0|2,0,0]=4 2329 B7R1.1 NCC1CCCO1 MCULE-2797516262 [1,0,0,1,0,0|1,0,1]=4 2330 B7R1.1 NCC1CCCO1 MCULE-5970677903 [1,0,0,1,0,0|1,0,1]=4 2331 B7R1.1 NCC1CCCO1 MCULE-6166235034 [1,0,0,1,0,0|1,0,1]=4 2332 B7R1.1 NCC1CCOC1 MCULE-4208746127 [1,0,0,1,0,0|1,0,1]=4 2333 B7R1.1 NCC1CCOC1 MCULE-6540410947 [1,0,0,1,0,0|1,0,1]=4 2334 B7R1.1 NCC1COCO1 MCULE-1657884847 [1,0,0,1,0,0|1,0,1]=4 2335 B7R1.1 NCC1COCO1 MCULE-9310217083 [1,0,0,1,0,0|1,0,1]=4 2336 B7R1.1 NCC1OCCO1 MCULE-4813269641 [1,0,0,1,0,0|0,0,2]=4 2337 B7R1.1 NC[C@@H]1CCCO1 MCULE-1103643839 [1,0,0,1,0,0|1,0,1]=4 2338 B7R1.1 NC[C@@H]1CCCO1 MCULE-1402571993 [1,0,0,1,0,0|1,0,1]=4 2339 B7R1.1 NC[C@@H]1CCCO1 MCULE-1448381041 [1,0,0,1,0,0|1,0,1]=4 2340 B7R1.1 NC[C@@H]1CCCO1 MCULE-6664501749 [1,0,0,1,0,0|1,0,1]=4 2341 B7R1.1 NC[C@@H]1CCOC1 MCULE-2941934022 [1,0,0,1,0,0|1,0,1]=4 2342 B7R1.1 NC[C@@H]1CCOC1 MCULE-2981279377 [1,0,0,1,0,0|1,0,1]=4 2343 B7R1.1 NC[C@@H]1CCOC1 MCULE-6671508282 [1,0,0,1,0,0|1,0,1]=4 2344 B7R1.1 NC[C@@H]1CCOC1 MCULE-7170580817 [1,0,0,1,0,0|1,0,1]=4 2345 B7R1.1 NC[C@H]1CCCO1 MCULE-1196018690 [1,0,0,1,0,0|1,0,1]=4 2346 B7R1.1 NC[C@H]1CCCO1 MCULE-2037746017 [1,0,0,1,0,0|1,0,1]=4 2347 B7R1.1 NC[C@H]1CCCO1 MCULE-3470426685 [1,0,0,1,0,0|1,0,1]=4 2348 B7R1.1 NC[C@H]1CCCO1 MCULE-9918683284 [1,0,0,1,0,0|1,0,1]=4 2349 B7R1.1 NC[C@H]1CCOC1 MCULE-1537228220 [1,0,0,1,0,0|1,0,1]=4 2350 B7R1.1 NC[C@H]1CCOC1 MCULE-2673094483 [1,0,0,1,0,0|1,0,1]=4 2351 B7R1.1 NC[C@H]1CCOC1 MCULE-4873739830 [1,0,0,1,0,0|1,0,1]=4 2352 B7R1.1 NC[C@H]1CCOC1 MCULE-6059527282 [1,0,0,1,0,0|1,0,1]=4 2353 B7R1.1 OCC1=NCCO1 MCULE-9432593363 [1,0,0,1,0,0|2,0,0]=4 2354 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [1,0,0,1,0,0|2,0,0]=4 2355 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [1,0,0,1,0,0|1,0,1]=4 2356 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [1,0,0,1,0,0|1,0,1]=4 2357 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [1,0,0,1,0,0|1,0,1]=4 2358 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [1,0,0,1,0,0|2,0,0]=4 2359 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [1,0,0,1,0,0|2,0,0]=4 2360 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [1,0,0,1,0,0|2,0,0]=4 2361 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [1,0,0,1,0,0|2,0,0]=4 2362 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [1,0,0,1,0,0|2,0,0]=4 2363 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [1,0,0,1,0,0|2,0,0]=4 2364 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [1,0,0,1,0,0|2,0,0]=4 2365 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [1,0,0,1,0,0|1,0,0]=3 2366 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [1,0,0,1,0,0|2,0,0]=4 2367 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [1,0,0,1,0,0|2,0,0]=4 2368 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [1,0,0,1,0,0|1,0,0]=3 2369 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [1,0,0,1,0,0|1,0,0]=3 2370 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [1,0,0,1,0,0|1,0,0]=3 2371 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [1,0,0,1,0,0|2,0,0]=4 2372 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [1,0,0,1,0,0|2,0,0]=4 2373 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [1,0,0,1,0,0|1,0,0]=3 2374 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [1,0,0,1,0,0|2,0,0]=4 2375 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [1,0,0,1,0,0|2,0,0]=4 2376 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [1,0,0,1,0,0|2,0,0]=4 2377 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [1,0,0,1,0,0|2,0,0]=4 2378 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [1,0,0,1,0,0|1,0,0]=3 2379 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [1,0,0,1,0,0|1,0,0]=3 2380 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [1,0,0,1,0,0|1,0,0]=3 2381 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [1,0,0,1,0,0|1,0,0]=3 2382 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [1,0,0,1,0,0|2,0,0]=4 2383 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [1,0,0,1,0,0|2,0,0]=4 2384 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [1,0,0,1,0,0|2,0,0]=4 2385 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [1,0,0,1,0,0|1,0,0]=3 2386 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [1,0,0,1,0,0|2,0,0]=4 2387 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [1,0,0,1,0,0|2,0,0]=4 2388 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [1,0,0,1,0,0|2,0,0]=4 2389 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [1,0,0,1,0,0|2,0,0]=4 2390 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [1,0,0,1,0,0|1,0,1]=4 2391 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [1,0,0,1,0,0|1,0,1]=4 2392 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [1,0,0,1,0,0|1,0,1]=4 2393 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [1,0,0,1,0,0|1,0,1]=4 2394 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [1,0,0,1,0,0|2,0,0]=4 2395 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [1,0,0,1,0,0|2,0,0]=4 2396 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [1,0,0,1,0,0|2,0,0]=4 2397 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [1,0,0,1,0,0|2,0,0]=4 2398 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [1,0,0,1,0,0|2,0,0]=4 2399 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [1,0,0,1,0,0|1,0,0]=3 2400 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [1,0,0,1,0,0|2,0,0]=4 2401 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [1,0,0,1,0,0|2,0,0]=4 2402 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [1,0,0,1,0,0|1,0,0]=3 2403 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [1,0,0,1,0,0|0,0,2]=4 2404 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [1,0,0,1,0,0|0,0,2]=4 2405 B7R1.2 O=C1CNC(S1)S MCULE-9237115672 [1,0,0,1,0,0|0,2,0]=4 2406 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [1,0,0,1,0,0|2,0,0]=4 2407 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [1,0,0,1,0,0|2,0,0]=4 2408 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [1,0,0,1,0,0|2,0,0]=4 2409 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [1,0,0,1,0,0|2,0,0]=4 2410 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [1,0,0,1,0,0|2,0,0]=4 2411 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [1,0,0,1,0,0|2,0,0]=4 2412 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [1,0,0,1,0,0|2,0,0]=4 2413 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [1,0,0,1,0,0|2,0,0]=4 2414 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [1,0,0,1,0,0|2,0,0]=4 2415 B7R1.3 BrC1=CCCNC1 MCULE-1016336040 [1,0,0,1,0,0|2,0,0]=4 2416 B7R1.3 BrC1=CCCNC1 MCULE-9845052592 [1,0,0,1,0,0|2,0,0]=4 2417 B7R1.3 C1(CNCCO1)C MCULE-2805380245 [1,0,0,1,0,0|1,0,1]=4 2418 B7R1.3 C1(CNCCO1)C MCULE-3532041523 [1,0,0,1,0,0|1,0,1]=4 2419 B7R1.3 C=C1CCCNC1 MCULE-2588575300 [1,0,0,1,0,0|2,0,0]=4 2420 B7R1.3 C=C1CCCNC1 MCULE-9758065019 [1,0,0,1,0,0|2,0,0]=4 2421 B7R1.3 C=C1CCOCC1 MCULE-2744722311 [1,0,0,1,0,0|2,0,0]=4 2422 B7R1.3 CC1=CCCNC1 MCULE-8145216779 [1,0,0,1,0,0|2,0,0]=4 2423 B7R1.3 CC1=CCCNC1 MCULE-9021954061 [1,0,0,1,0,0|2,0,0]=4 2424 B7R1.3 CC1=NCCNC1 MCULE-2066788449 [1,0,0,1,0,0|2,0,0]=4 2425 B7R1.3 CC1CNCCO1 MCULE-3071497485 [1,0,0,1,0,0|1,0,1]=4 2426 B7R1.3 CC1CNCCO1 MCULE-7956728736 [1,0,0,1,0,0|1,0,1]=4 2427 B7R1.3 C[C@@H]1CNCCO1 MCULE-1787977539 [1,0,0,1,0,0|1,0,1]=4 2428 B7R1.3 C[C@@H]1CNCCO1 MCULE-2608004746 [1,0,0,1,0,0|1,0,1]=4 2429 B7R1.3 C[C@@H]1CNCCO1 MCULE-5447097956 [1,0,0,1,0,0|1,0,1]=4 2430 B7R1.3 C[C@@H]1CNCCO1 MCULE-9396954187 [1,0,0,1,0,0|1,0,1]=4 2431 B7R1.3 C[C@H]1CNCCO1 MCULE-3158147539 [1,0,0,1,0,0|1,0,1]=4 2432 B7R1.3 C[C@H]1CNCCO1 MCULE-5193705878 [1,0,0,1,0,0|1,0,1]=4 2433 B7R1.3 C[C@H]1CNCCO1 MCULE-8337677707 [1,0,0,1,0,0|1,0,1]=4 2434 B7R1.3 C[C@H]1CNCCO1 MCULE-9425432414 [1,0,0,1,0,0|1,0,1]=4 2435 B7R1.3 ClC1=CCCNC1 MCULE-2132976242 [1,0,0,1,0,0|2,0,0]=4 2436 B7R1.3 ClC1=CCCNC1 MCULE-9013141821 [1,0,0,1,0,0|2,0,0]=4 2437 B7R1.3 FC1=CCCNC1 MCULE-5131057553 [1,0,0,1,0,0|2,0,0]=4 2438 B7R1.3 FC1=CCCNC1 MCULE-8459145085 [1,0,0,1,0,0|2,0,0]=4 2439 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [1,0,0,1,0,0|1,0,1]=4 2440 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [1,0,0,1,0,0|1,0,1]=4 2441 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [1,0,0,1,0,0|2,0,0]=4 2442 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [1,0,0,1,0,0|2,0,0]=4 2443 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [1,0,0,1,0,0|1,0,0]=3 2444 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [1,0,0,1,0,0|1,1,0]=4 2445 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [1,0,0,1,0,0|1,0,0]=3 2446 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [1,0,0,1,0,0|1,0,0]=3 2447 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [1,0,0,1,0,0|2,0,0]=4 2448 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [1,0,0,1,0,0|2,0,0]=4 2449 B7R1.3 O=C1CCNCC1 MCULE-7526186270 [1,0,0,1,0,0|2,0,0]=4 2450 B7R1.3 O=C1CCNCC1 MCULE-9761063200 [1,0,0,1,0,0|2,0,0]=4 2451 B7R1.3 O=C1CCOCC1 MCULE-6728095514 [1,0,0,1,0,0|1,0,0]=3 2452 B7R1.3 O=C1CCSCC1 MCULE-8638366518 [1,0,0,1,0,0|1,1,0]=4 2453 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [1,0,0,1,0,0|1,0,0]=3 2454 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [1,0,0,1,0,0|0,0,0]=2 2455 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [1,0,0,1,0,0|0,0,0]=2 2456 B7R1.3 O=C1COCCN1 MCULE-8242898041 [1,0,0,1,0,0|2,0,0]=4 2457 B7R1.3 O=C1COCCO1 MCULE-5754504096 [1,0,0,1,0,0|1,0,0]=3 2458 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [1,0,0,1,0,0|2,0,0]=4 2459 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [1,0,0,1,0,0|2,0,0]=4 2460 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [1,0,0,1,0,0|1,0,0]=3 2461 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [1,0,0,1,0,0|2,0,0]=4 2462 B7R1.3 O=S1CCOCC1 MCULE-4979531002 [1,0,0,1,0,0|2,0,0]=4 2463 B7R1.3 OC1CNCCO1 MCULE-7048275202 [1,0,0,1,0,0|0,0,2]=4 2464 B7R1.3 OC1CNCCO1 MCULE-9716087824 [1,0,0,1,0,0|0,0,2]=4 2465 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [1,0,0,1,0,0|1,0,0]=3 2466 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [1,0,0,1,0,0|1,0,0]=3 2467 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [1,0,0,1,0,0|1,0,1]=4 2468 B7R1.4 CC1CCCC1=O MCULE-3710290162 [1,0,0,1,0,0|2,0,0]=4 2469 B7R1.4 CC1CCNC1=O MCULE-7799644249 [1,0,0,1,0,0|2,0,0]=4 2470 B7R1.4 CC1CCOC1=O MCULE-2223078294 [1,0,0,1,0,0|1,0,0]=3 2471 B7R1.4 CC1NCCC1=O MCULE-4206844406 [1,0,0,1,0,0|2,0,0]=4 2472 B7R1.4 CC1NCCC1=O MCULE-7025918222 [1,0,0,1,0,0|2,0,0]=4 2473 B7R1.4 CC1OCCC1=O MCULE-8278816952 [1,0,0,1,0,0|1,0,0]=3 2474 B7R1.4 CC1OCCC1N MCULE-4343663724 [1,0,0,1,0,0|1,0,1]=4 2475 B7R1.4 CC1OCCC1N MCULE-9003879039 [1,0,0,1,0,0|1,0,1]=4 2476 B7R1.4 CC1SCCC1=O MCULE-5264322365 [1,0,0,1,0,0|1,1,0]=4 2477 B7R1.4 CN1CCOC1=O MCULE-7467321799 [1,0,0,1,0,0|2,0,0]=4 2478 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [1,0,0,1,0,0|2,0,0]=4 2479 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-5910807847 [1,0,0,1,0,0|1,0,1]=4 2480 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-7586038907 [1,0,0,1,0,0|1,0,1]=4 2481 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [1,0,0,1,0,0|2,0,0]=4 2482 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-1432785321 [1,0,0,1,0,0|1,0,1]=4 2483 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-3008045787 [1,0,0,1,0,0|1,0,1]=4 2484 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-7656776924 [1,0,0,1,0,0|1,0,1]=4 2485 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-8087379612 [1,0,0,1,0,0|1,0,1]=4 2486 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [1,0,0,1,0,0|0,0,2]=4 2487 B7R1.4 NC1CCCC1=O MCULE-3654949473 [1,0,0,1,0,0|1,0,0]=3 2488 B7R1.4 NC1CCCC1=O MCULE-6579965788 [1,0,0,1,0,0|1,0,0]=3 2489 B7R1.4 NC1CCNC1=O MCULE-2061829370 [1,0,0,1,0,0|1,0,0]=3 2490 B7R1.4 NC1CCNC1=O MCULE-4272585488 [1,0,0,1,0,0|1,0,0]=3 2491 B7R1.4 NC1CCOC1=O MCULE-1011670330 [1,0,0,1,0,0|0,0,0]=2 2492 B7R1.4 NC1CCOC1=O MCULE-1366805966 [1,0,0,1,0,0|0,0,0]=2 2493 B7R1.4 NC1CCOC1=O MCULE-1874490478 [1,0,0,1,0,0|0,0,0]=2 2494 B7R1.4 NC1CCOC1=O MCULE-4434379753 [1,0,0,1,0,0|0,0,0]=2 2495 B7R1.4 NC1CCOC1=O MCULE-7302633352 [1,0,0,1,0,0|0,0,0]=2 2496 B7R1.4 NC1CCOC1=O MCULE-8009953591 [1,0,0,1,0,0|0,0,0]=2 2497 B7R1.4 NC1CCSC1=O MCULE-5181497015 [1,0,0,1,0,0|0,1,0]=3 2498 B7R1.4 NC1CCSC1=O MCULE-8775141567 [1,0,0,1,0,0|0,1,0]=3 2499 B7R1.4 NC1CONC1=O MCULE-3118867985 [1,0,0,1,0,0|2,0,0]=4 2500 B7R1.4 NC1CONC1=O MCULE-3159218372 [1,0,0,1,0,0|2,0,0]=4 2501 B7R1.4 NN1CCCC1=O MCULE-2994786381 [1,0,0,1,0,0|2,0,0]=4 2502 B7R1.4 NN1CCCC1=O MCULE-5599329775 [1,0,0,1,0,0|2,0,0]=4 2503 B7R1.4 NN1CCNC1=O MCULE-9094725216 [1,0,0,1,0,0|2,0,0]=4 2504 B7R1.4 NN1CCOC1=O MCULE-7407834106 [1,0,0,1,0,0|1,0,0]=3 2505 B7R1.4 NN1CCOC1=O MCULE-8091613930 [1,0,0,1,0,0|1,0,0]=3 2506 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [1,0,0,1,0,0|1,0,0]=3 2507 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [1,0,0,1,0,0|1,0,0]=3 2508 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [1,0,0,1,0,0|1,0,0]=3 2509 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [1,0,0,1,0,0|1,0,0]=3 2510 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [1,0,0,1,0,0|0,0,0]=2 2511 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [1,0,0,1,0,0|0,0,0]=2 2512 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [1,0,0,1,0,0|0,0,0]=2 2513 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [1,0,0,1,0,0|0,0,0]=2 2514 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [1,0,0,1,0,0|0,1,0]=3 2515 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [1,0,0,1,0,0|0,1,0]=3 2516 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [1,0,0,1,0,0|0,1,0]=3 2517 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [1,0,0,1,0,0|0,1,0]=3 2518 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [1,0,0,1,0,0|2,0,0]=4 2519 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [1,0,0,1,0,0|2,0,0]=4 2520 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [1,0,0,1,0,0|1,0,0]=3 2521 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [1,0,0,1,0,0|1,0,0]=3 2522 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [1,0,0,1,0,0|1,0,0]=3 2523 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [1,0,0,1,0,0|1,0,0]=3 2524 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [1,0,0,1,0,0|0,0,0]=2 2525 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [1,0,0,1,0,0|0,0,0]=2 2526 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [1,0,0,1,0,0|0,0,0]=2 2527 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [1,0,0,1,0,0|0,0,0]=2 2528 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [1,0,0,1,0,0|0,0,0]=2 2529 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [1,0,0,1,0,0|0,1,0]=3 2530 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [1,0,0,1,0,0|0,1,0]=3 2531 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [1,0,0,1,0,0|0,1,0]=3 2532 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [1,0,0,1,0,0|0,1,0]=3 2533 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [1,0,0,1,0,0|2,0,0]=4 2534 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [1,0,0,1,0,0|2,0,0]=4 2535 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [1,0,0,1,0,0|2,0,0]=4 2536 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [1,0,0,1,0,0|2,0,0]=4 2537 B7R1.4 O=C1CCCC1F MCULE-8001765295 [1,0,0,1,0,0|2,0,0]=4 2538 B7R1.4 O=C1CCCC1O MCULE-6795188798 [1,0,0,1,0,0|2,0,0]=4 2539 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [1,0,0,1,0,0|2,0,0]=4 2540 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [1,0,0,1,0,0|2,0,0]=4 2541 B7R1.4 O=C1NCCC1F MCULE-2209899044 [1,0,0,1,0,0|2,0,0]=4 2542 B7R1.4 O=C1NCCC1O MCULE-8818841339 [1,0,0,1,0,0|2,0,0]=4 2543 B7R1.4 O=C1NCCC1O MCULE-9662824811 [1,0,0,1,0,0|2,0,0]=4 2544 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [1,0,0,1,0,0|2,0,0]=4 2545 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [1,0,0,1,0,0|2,0,0]=4 2546 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [1,0,0,1,0,0|2,0,0]=4 2547 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [1,0,0,1,0,0|2,0,0]=4 2548 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [1,0,0,1,0,0|1,0,0]=3 2549 B7R1.4 O=C1OCCC1O MCULE-2144002601 [1,0,0,1,0,0|1,0,0]=3 2550 B7R1.4 O=C1OCCC1S MCULE-2130434062 [1,0,0,1,0,0|1,0,0]=3 2551 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [1,0,0,1,0,0|1,0,0]=3 2552 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [1,0,0,1,0,0|1,0,0]=3 2553 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [1,0,0,1,0,0|1,0,0]=3 2554 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [1,0,0,1,0,0|1,0,0]=3 2555 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [1,0,0,1,0,0|0,0,1]=3 2556 B7R1.5 CCOC1CC1N MCULE-1141331549 [1,0,0,1,0,0|1,0,1]=4 2557 B7R1.6 CCOC1CNC1 MCULE-5408347465 [1,0,0,1,0,0|1,0,1]=4 2558 B7R1.6 CCOC1CNC1 MCULE-5853062591 [1,0,0,1,0,0|1,0,1]=4 2559 B7R1.6 CCOC1CNC1 MCULE-7457457501 [1,0,0,1,0,0|1,0,1]=4 2560 B7R1.6 CCOC1CNC1 MCULE-9277972796 [1,0,0,1,0,0|1,0,1]=4 2561 B7R1.6 OCCC1CNC1 MCULE-1975411420 [1,0,0,1,0,0|1,0,1]=4 2562 B7R1.6 OCCC1CNC1 MCULE-4993890888 [1,0,0,1,0,0|1,0,1]=4 2563 B7R1.8 CCC1CCC1=O MCULE-5109615435 [1,0,0,1,0,0|2,0,0]=4 2564 B7R1.8 O=C1CCC1CO MCULE-5501600764 [1,0,0,1,0,0|1,0,0]=3 2565 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [1,0,0,1,0,0|1,0,0]=3 2566 B7R1.9 NCC1CC1CO MCULE-2679526126 [1,0,0,1,0,0|1,0,1]=4 2567 B7R1.9 NC[C@H]1C[C@@H]1CO MCULE-4100547975 [1,0,0,1,0,0|1,0,1]=4 2568 B7R1.9 NC[C@H]1C[C@H]1CO MCULE-4756509186 [1,0,0,1,0,0|1,0,1]=4 2569 B7R1.10 NCC1CC(C1)O MCULE-1448807479 [1,0,0,1,0,0|1,0,1]=4 2570 B7R1.10 NCC1CC(C1)O MCULE-5095960848 [1,0,0,1,0,0|1,0,1]=4 2571 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-2155101378 [1,0,0,1,0,0|1,0,1]=4 2572 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-3237212031 [1,0,0,1,0,0|1,0,1]=4 2573 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-3137766844 [1,0,0,1,0,0|1,0,1]=4 2574 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-6173771659 [1,0,0,1,0,0|1,0,1]=4 2575 B7R1.15 CC1CC(=O)C1C MCULE-1068922218 [1,0,0,1,0,0|2,0,0]=4 2576 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2032555036 [1,0,0,1,0,0|1,0,0]=3 2577 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2738127555 [1,0,0,1,0,0|1,0,0]=3 2578 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-5044901082 [1,0,0,1,0,0|1,0,0]=3 2579 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-7632990759 [1,0,0,1,0,0|1,0,0]=3 2580 B7R1.22 C1(CO1)C(=O)OC MCULE-1350193594 [1,0,0,1,0,0|2,0,0]=4 2581 B7R1.22 CCC(=O)C1CC1 MCULE-6231785303 [1,0,0,1,0,0|2,0,0]=4 2582 B7R1.22 COC(=O)C1CO1 MCULE-1745412030 [1,0,0,1,0,0|2,0,0]=4 2583 B7R1.22 COC(=O)[C@@H]1CO1 MCULE-2259836812 [1,0,0,1,0,0|2,0,0]=4 2584 B7R1.22 COC(=O)[C@H]1CO1 MCULE-5568309714 [1,0,0,1,0,0|2,0,0]=4 2585 B7R1.22 COC(=O)[C@H]1CO1 MCULE-9432053348 [1,0,0,1,0,0|2,0,0]=4 2586 B7R1.22 NCC(=O)C1CC1 MCULE-1927654168 [1,0,0,1,0,0|1,0,0]=3 2587 B7R1.22 NCC(=O)C1CC1 MCULE-4415662894 [1,0,0,1,0,0|1,0,0]=3 2588 B7R1.22 NNC(=O)C1CC1 MCULE-3608531301 [1,0,0,1,0,0|2,0,0]=4 2589 B7R1.22 O=C(CBr)C1CC1 MCULE-1037373080 [1,0,0,1,0,0|2,0,0]=4 2590 B7R1.22 O=C(CCl)C1CC1 MCULE-9791345328 [1,0,0,1,0,0|2,0,0]=4 2591 B7R1.22 O=C(CCl)N1CC1 MCULE-3092013537 [1,0,0,1,0,0|2,0,0]=4 2592 B7R1.22 O=C(CO)C1CC1 MCULE-4276266642 [1,0,0,1,0,0|2,0,0]=4 2593 B7R1.22 [C@H]1(CO1)C(=O)OC MCULE-2114123664 [1,0,0,1,0,0|2,0,0]=4 2594 B7R1.25 CC1(CCO1)CN MCULE-1371408706 [1,0,0,1,0,0|1,0,1]=4 2595 B7R1.25 C[C@@]1(CCO1)CN MCULE-8755107224 [1,0,0,1,0,0|1,0,1]=4 2596 B7R1.7 OCCOC1CC1 MCULE-8583841482 [1,0,0,1,0,0|1,0,1]=4 2597 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [1,0,0,1,0,0|2,0,0]=4 2598 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [1,0,0,1,0,0|2,0,0]=4 2599 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [1,0,0,1,0,0|2,0,0]=4 2600 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [1,0,0,1,0,0|2,0,0]=4 2601 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [1,0,0,1,0,0|2,0,0]=4 2602 B7R1.14 CC1(OCCO1)C MCULE-3382136459 [1,0,0,1,0,0|1,0,1]=4 2603 B7R1.14 O=P1(OCCO1)Cl MCULE-8220157277 [1,0,0,1,0,0|2,0,0]=4 2604 B7R1.14 O=S1(=O)OCCO1 MCULE-4563579294 [1,0,0,1,0,0|2,0,0]=4 2605 B7R1.17 CC1(OCC1O)C MCULE-4679216060 [1,0,0,1,0,0|1,0,1]=4 2606 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [1,0,0,1,0,0|2,0,0]=4 2607 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [1,0,0,1,0,0|2,0,0]=4 2608 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [1,0,0,1,0,0|2,0,0]=4 2609 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [1,0,0,1,0,0|2,0,0]=4 2610 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [1,0,0,1,0,0|2,0,0]=4 2611 B7R1.18 NC(=O)N1CCC1 MCULE-1594728830 [1,0,0,1,0,0|2,0,0]=4 2612 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [1,0,0,1,0,0|2,0,0]=4 2613 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [1,0,0,1,0,0|2,0,0]=4 2614 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [1,0,0,1,0,0|2,0,0]=4 2615 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [1,0,0,1,0,0|2,0,0]=4 2616 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [1,0,0,1,0,0|2,0,0]=4 2617 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [1,0,0,1,0,0|2,0,0]=4 2618 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [1,0,0,1,0,0|2,0,0]=4 2619 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [1,0,0,1,0,0|2,0,0]=4 2620 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [1,0,0,1,0,0|2,0,0]=4 2621 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [1,0,0,1,0,0|2,0,0]=4 2622 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [1,0,0,1,0,0|1,0,0]=3 2623 B7R1.20 NC(=O)NC1CC1 MCULE-4338833542 [1,0,0,1,0,0|2,0,0]=4 2624 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [1,0,0,1,0,0|2,0,0]=4 2625 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [1,0,0,1,0,0|2,0,0]=4 2626 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [1,0,0,1,0,0|2,0,0]=4 2627 B7R1.23 CC1(OC1CO)C MCULE-5147602353 [1,0,0,1,0,0|1,0,1]=4 2628 B7R1.24 C1CCNOCC1 MCULE-7242354366 [1,0,0,1,0,0|1,0,1]=4 2629 B7R1.24 C1CCNOCC1 MCULE-7451936178 [1,0,0,1,0,0|1,0,1]=4 2630 B7R1.24 C1CNCCOC1 MCULE-9147617519 [1,0,0,1,0,0|1,0,1]=4 2631 B7R1.24 C1CNCCOC1 MCULE-9722986943 [1,0,0,1,0,0|1,0,1]=4 2632 B7R1.24 C1CNOCCN1 MCULE-3548078740 [1,0,0,1,0,0|1,0,1]=4 2633 B7R1.24 C1CNOCCN1 MCULE-4676245477 [1,0,0,1,0,0|1,0,1]=4 2634 B7R1.24 C1COCCNN1 MCULE-5237837037 [1,0,0,1,0,0|1,0,1]=4 2635 B7R1.24 C1COCCNN1 MCULE-6195400312 [1,0,0,1,0,0|1,0,1]=4 2636 B7R1.24 C1COCCNN1 MCULE-8018224954 [1,0,0,1,0,0|1,0,1]=4 2637 B7R1.24 C1COCCON1 MCULE-1064422282 [1,0,0,1,0,0|0,0,1]=3 2638 B7R1.24 C1COCCON1 MCULE-2039128953 [1,0,0,1,0,0|0,0,1]=3 2639 B9R1.2 CC1CNCC(O1)CO MCULE-6915504187 [0,1,0,1,0,0|1,0,1]=4 2640 B9R1.2 CCC1CC(=O)CCN1 MCULE-1220676585 [0,1,0,1,0,0|2,0,0]=4 2641 B9R1.2 CCC1CC(=O)CCN1 MCULE-3141090997 [0,1,0,1,0,0|2,0,0]=4 2642 B9R1.2 CCC1CNCC(=O)N1 MCULE-1768212982 [0,1,0,1,0,0|2,0,0]=4 2643 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-6816021578 [0,1,0,1,0,0|2,0,0]=4 2644 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-7481609929 [0,1,0,1,0,0|2,0,0]=4 2645 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-1797323490 [0,1,0,1,0,0|2,0,0]=4 2646 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-7692205564 [0,1,0,1,0,0|2,0,0]=4 2647 B9R1.2 CC[C@H]1CNCC(=O)N1 MCULE-5604046217 [0,1,0,1,0,0|2,0,0]=4 2648 B9R1.2 C[C@@H]1CNC[C@H](O1)CO MCULE-4030187082 [0,1,0,1,0,0|1,0,1]=4 2649 B9R1.2 C[C@@H]1CNC[C@H](O1)CO MCULE-8521542499 [0,1,0,1,0,0|1,0,1]=4 2650 B9R1.2 C[C@H]1CNC[C@H](O1)CO MCULE-6331587635 [0,1,0,1,0,0|1,0,1]=4 2651 B9R1.2 C[C@H]1CNC[C@H](O1)CO MCULE-6791243811 [0,1,0,1,0,0|1,0,1]=4 2652 B9R1.2 NCC1CCNC(=O)O1 MCULE-4253031438 [0,1,0,1,0,0|2,0,0]=4 2653 B9R1.2 O=C1CC(CCN1)CO MCULE-9526076179 [0,1,0,1,0,0|2,0,0]=4 2654 B9R1.2 O=C1CCCC(C1)CO MCULE-5732276352 [0,1,0,1,0,0|2,0,0]=4 2655 B9R1.2 O=C1CCCC(N1)CO MCULE-6546170250 [0,1,0,1,0,0|2,0,0]=4 2656 B9R1.2 O=C1CCC[C@@H](N1)CO MCULE-6845836782 [0,1,0,1,0,0|2,0,0]=4 2657 B9R1.2 O=C1CCC[C@H](C1)CO MCULE-7659844168 [0,1,0,1,0,0|2,0,0]=4 2658 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-2745722091 [0,1,0,1,0,0|2,0,0]=4 2659 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-3358051383 [0,1,0,1,0,0|2,0,0]=4 2660 B9R1.2 O=C1CNC[C@H](N1)CO MCULE-7459264375 [0,1,0,1,0,0|1,0,0]=3 2661 B9R1.2 O=C1COCC(N1)CO MCULE-2108098178 [0,1,0,1,0,0|2,0,0]=4 2662 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-1640734818 [0,1,0,1,0,0|2,0,0]=4 2663 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-6633625871 [0,1,0,1,0,0|2,0,0]=4 2664 B9R1.2 O=C1C[C@H](CCN1)CO MCULE-5682710079 [0,1,0,1,0,0|2,0,0]=4 2665 B9R1.2 [C@H]1(CNC[C@@H](O1)CO)C MCULE-4259776230 [0,1,0,1,0,0|1,0,1]=4 2666 B9R1.7 CCCC1CCC(=O)O1 MCULE-7682573247 [0,1,0,1,0,0|2,0,0]=4 2667 B9R1.7 COCC1CCC(=O)C1 MCULE-5327398944 [0,1,0,1,0,0|2,0,0]=4 2668 B9R1.7 COCC1COC(=O)O1 MCULE-4488263909 [0,1,0,1,0,0|2,0,0]=4 2669 B9R1.7 COC[C@@H]1COC(=O)O1 MCULE-4803003402 [0,1,0,1,0,0|2,0,0]=4 2670 B9R1.7 COC[C@@H]1COC(=O)O1 MCULE-7896550849 [0,1,0,1,0,0|2,0,0]=4 2671 B9R1.7 COC[C@H]1CNC(=O)O1 MCULE-1001119582 [0,1,0,1,0,0|2,0,0]=4 2672 B9R1.7 COC[C@H]1COC(=O)O1 MCULE-4532523996 [0,1,0,1,0,0|2,0,0]=4 2673 B9R1.7 COC[C@H]1COC(=O)O1 MCULE-4644835151 [0,1,0,1,0,0|2,0,0]=4 2674 B9R1.7 O=C1CC=C(O1)CCO MCULE-5445350928 [0,1,0,1,0,0|1,0,0]=3 2675 B9R1.7 O=C1CCC(N1)CCO MCULE-8691061986 [0,1,0,1,0,0|2,0,0]=4 2676 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-7396523836 [0,1,0,1,0,0|2,0,0]=4 2677 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-8307506069 [0,1,0,1,0,0|2,0,0]=4 2678 B9R1.8 CNCC1=CCCOC1 MCULE-8535188779 [0,1,0,1,0,0|2,0,0]=4 2679 B9R1.8 CNCC1COCCO1 MCULE-3663472494 [0,1,0,1,0,0|1,0,1]=4 2680 B9R1.8 CNCC1COCCO1 MCULE-4042719770 [0,1,0,1,0,0|1,0,1]=4 2681 B9R1.8 CNCC1COCCO1 MCULE-4373994709 [0,1,0,1,0,0|1,0,1]=4 2682 B9R1.8 CNC[C@@H]1COCCO1 MCULE-1631348179 [0,1,0,1,0,0|1,0,1]=4 2683 B9R1.8 CNC[C@@H]1COCCO1 MCULE-2978269905 [0,1,0,1,0,0|1,0,1]=4 2684 B9R1.8 CNC[C@@H]1COCCO1 MCULE-3723240434 [0,1,0,1,0,0|1,0,1]=4 2685 B9R1.8 CNC[C@@H]1COCCO1 MCULE-5028881677 [0,1,0,1,0,0|1,0,1]=4 2686 B9R1.8 CNC[C@H]1COCCO1 MCULE-2451760661 [0,1,0,1,0,0|1,0,1]=4 2687 B9R1.8 CNC[C@H]1COCCO1 MCULE-5593195285 [0,1,0,1,0,0|1,0,1]=4 2688 B9R1.8 CNC[C@H]1COCCO1 MCULE-6619773603 [0,1,0,1,0,0|1,0,1]=4 2689 B9R1.8 CNC[C@H]1COCCO1 MCULE-7870966324 [0,1,0,1,0,0|1,0,1]=4 2690 B9R1.8 NCCC1COCCO1 MCULE-7148437042 [0,1,0,1,0,0|1,0,1]=4 2691 B9R1.8 NNCC1COCCO1 MCULE-6800146177 [0,1,0,1,0,0|1,0,1]=4 2692 B9R1.8 NNCC1COCCO1 MCULE-8044644563 [0,1,0,1,0,0|1,0,1]=4 2693 B9R1.15 CCC1CCCOC1=O MCULE-7711682964 [0,1,0,1,0,0|2,0,0]=4 2694 B9R1.15 CNC1CCCCC1=O MCULE-4213094446 [0,1,0,1,0,0|2,0,0]=4 2695 B9R1.15 CNC1CCCCC1=O MCULE-6828302325 [0,1,0,1,0,0|2,0,0]=4 2696 B9R1.15 CNC1CCCNC1=O MCULE-5728861814 [0,1,0,1,0,0|2,0,0]=4 2697 B9R1.15 CNC1CCCNC1=O MCULE-6142186918 [0,1,0,1,0,0|2,0,0]=4 2698 B9R1.15 COC1OCCCC1=O MCULE-5908913683 [0,1,0,1,0,0|2,0,0]=4 2699 B9R1.15 NCC1CCCNC1=O MCULE-3811327759 [0,1,0,1,0,0|2,0,0]=4 2700 B9R1.15 NCC1CCCNC1=O MCULE-7406524376 [0,1,0,1,0,0|2,0,0]=4 2701 B9R1.15 O=C1NCCOC1CO MCULE-4336719695 [0,1,0,1,0,0|2,0,0]=4 2702 B9R1.22 CC1CC(=O)NC1CO MCULE-1890923185 [0,1,0,1,0,0|2,0,0]=4 2703 B9R1.22 C[C@@H]1CC(=O)N[C@@H]1CO MCULE-7022189173 [0,1,0,1,0,0|2,0,0]=4 2704 B9R1.22 C[C@@H]1CC(=O)N[C@H]1CO MCULE-2239273281 [0,1,0,1,0,0|2,0,0]=4 2705 B9R1.22 C[C@H]1CC(=O)N[C@@H]1CO MCULE-6299915210 [0,1,0,1,0,0|2,0,0]=4 2706 B9R1.22 C[C@H]1CC(=O)N[C@H]1CO MCULE-9870605893 [0,1,0,1,0,0|2,0,0]=4 2707 B9R1.22 O=C1CC(C(O1)CO)O MCULE-1210550303 [0,1,0,1,0,0|1,0,0]=3 2708 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-2550191764 [0,1,0,1,0,0|1,0,0]=3 2709 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-3529189398 [0,1,0,1,0,0|1,0,0]=3 2710 B9R1.22 [C@@H]1(CC(=O)O[C@@H]1CO)O MCULE-1905436889 [0,1,0,1,0,0|1,0,0]=3 2711 B9R1.33 O=C1CCCN1CCO MCULE-7117687978 [0,1,0,1,0,0|2,0,0]=4 2712 B9R1.33 O=C1NCCC1CCO MCULE-4049375641 [0,1,0,1,0,0|2,0,0]=4 2713 B9R1.33 O=C1NCCN1CCO MCULE-9247043792 [0,1,0,1,0,0|2,0,0]=4 2714 B9R1.33 O=C1OCCN1CCO MCULE-9126918441 [0,1,0,1,0,0|2,0,0]=4 2715 B9R1.48 CN1CCCNC(=O)C1 MCULE-9846049599 [0,1,0,1,0,0|2,0,0]=4 2716 B9R1.48 NC1CCCNC(=O)C1 MCULE-3170887073 [0,1,0,1,0,0|2,0,0]=4 2717 B9R1.49 CC1CNC(=O)CCN1 MCULE-4770101901 [0,1,0,1,0,0|2,0,0]=4 2718 B9R1.49 CC1CNC(=O)CCN1 MCULE-5299288950 [0,1,0,1,0,0|2,0,0]=4 2719 B9R1.49 O=C1CCCC(=O)NC1 MCULE-4912384035 [0,1,0,1,0,0|1,0,1]=4 2720 B9R1.49 O=C1CCCC(CN1)O MCULE-2883103344 [0,1,0,1,0,0|2,0,0]=4 2721 B9R1.50 O=C1CCCCCCO1 MCULE-5149380112 [0,1,0,1,0,0|2,0,0]=4 2722 B9R1.50 O=C1CCNCCCN1 MCULE-8530271368 [0,1,0,1,0,0|2,0,0]=4 2723 B9R1.50 O=C1CCNCCCN1 MCULE-9622115909 [0,1,0,1,0,0|2,0,0]=4 2724 B9R1.50 O=C1CNCCCNC1 MCULE-1626282034 [0,1,0,1,0,0|2,0,0]=4 2725 B9R1.50 O=C1CNCCCNC1 MCULE-7735828109 [0,1,0,1,0,0|2,0,0]=4 2726 B9R1.69 C1(CN(C(=O)CN1)C)C MCULE-2356694893 [0,1,0,1,0,0|2,0,0]=4 2727 B9R1.69 C1(CN(C(=O)CN1)C)C MCULE-3701241538 [0,1,0,1,0,0|2,0,0]=4 2728 B9R1.69 CC1CC(=O)CCC1O MCULE-7552412875 [0,1,0,1,0,0|2,0,0]=4 2729 B9R1.69 CC1CC(CCC1=O)O MCULE-4154713632 [0,1,0,1,0,0|2,0,0]=4 2730 B9R1.69 CC1CCC(C(=O)N1)N MCULE-4681937866 [0,1,0,1,0,0|2,0,0]=4 2731 B9R1.69 CC1CN(C(=O)CN1)C MCULE-1635332237 [0,1,0,1,0,0|2,0,0]=4 2732 B9R1.69 CC1CN(C(=O)CN1)C MCULE-9918100238 [0,1,0,1,0,0|2,0,0]=4 2733 B9R1.69 CC1CNC(=O)C(N1)C MCULE-6975048213 [0,1,0,1,0,0|2,0,0]=4 2734 B9R1.69 CC1CNC(=O)C(O1)C MCULE-2957841626 [0,1,0,1,0,0|2,0,0]=4 2735 B9R1.69 CC1NC(=O)CCC1O MCULE-3879531993 [0,1,0,1,0,0|2,0,0]=4 2736 B9R1.69 CC1OC(=O)COC1=O MCULE-8718960339 [0,1,0,1,0,0|1,0,1]=4 2737 B9R1.69 CN1CC(CCC1=O)O MCULE-4021195315 [0,1,0,1,0,0|2,0,0]=4 2738 B9R1.69 C[C@@H]1CC(=O)CC[C@@H]1O MCULE-8675773780 [0,1,0,1,0,0|2,0,0]=4 2739 B9R1.69 C[C@@H]1CN(C(=O)CN1)C MCULE-2129533322 [0,1,0,1,0,0|2,0,0]=4 2740 B9R1.69 C[C@@H]1CN(C(=O)CN1)C MCULE-8004080888 [0,1,0,1,0,0|2,0,0]=4 2741 B9R1.69 C[C@@H]1CN(C(=O)CN1)C MCULE-9037698900 [0,1,0,1,0,0|2,0,0]=4 2742 B9R1.69 C[C@@H]1CN(C(=O)CN1)C MCULE-9720822564 [0,1,0,1,0,0|2,0,0]=4 2743 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C MCULE-4462883144 [0,1,0,1,0,0|2,0,0]=4 2744 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C MCULE-9377847168 [0,1,0,1,0,0|2,0,0]=4 2745 B9R1.69 C[C@H]1CC(=O)CC[C@@H]1O MCULE-5873948412 [0,1,0,1,0,0|2,0,0]=4 2746 B9R1.69 C[C@H]1CN(C(=O)CN1)C MCULE-4896108356 [0,1,0,1,0,0|2,0,0]=4 2747 B9R1.69 C[C@H]1CN(C(=O)CN1)C MCULE-5475453456 [0,1,0,1,0,0|2,0,0]=4 2748 B9R1.69 C[C@H]1CN(C(=O)CN1)C MCULE-7299064277 [0,1,0,1,0,0|2,0,0]=4 2749 B9R1.69 C[C@H]1CN(C(=O)CN1)C MCULE-8058687833 [0,1,0,1,0,0|2,0,0]=4 2750 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C MCULE-1324686247 [0,1,0,1,0,0|2,0,0]=4 2751 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C MCULE-6430136160 [0,1,0,1,0,0|2,0,0]=4 2752 B9R1.69 N[C@H]1C[C@H](CNC1=O)O MCULE-9955363059 [0,1,0,1,0,0|1,0,0]=3 2753 B9R1.73 NCCC(=O)N1CCC1 MCULE-6156939603 [0,1,0,1,0,0|2,0,0]=4 2754 B9R1.73 NCCC(=O)N1CCC1 MCULE-7376847762 [0,1,0,1,0,0|2,0,0]=4 2755 B9R1.75 CCOC(=O)CC1CO1 MCULE-5041196331 [0,1,0,1,0,0|2,0,0]=4 2756 B9R1.75 CCOC(=O)C[C@@H]1CO1 MCULE-1826398861 [0,1,0,1,0,0|2,0,0]=4 2757 B9R1.75 CNCC(=O)NC1CC1 MCULE-5126563976 [0,1,0,1,0,0|2,0,0]=4 2758 B9R1.75 CNCC(=O)NC1CC1 MCULE-7067994551 [0,1,0,1,0,0|2,0,0]=4 2759 B9R1.75 NCCC(=O)NC1CC1 MCULE-8803985527 [0,1,0,1,0,0|2,0,0]=4 2760 B9R1.100 NCCOC(=O)C1CC1 MCULE-3290002890 [0,1,0,1,0,0|2,0,0]=4 2761 B9R1.100 NCCOC(=O)C1CC1 MCULE-9764031220 [0,1,0,1,0,0|2,0,0]=4 2762 B9R1.134 CC1(OCCO1)CCN MCULE-8228794720 [0,1,0,1,0,0|1,0,1]=4 2763 B9R1.134 CCOP1(=O)OCCO1 MCULE-1575396795 [0,1,0,1,0,0|2,0,0]=4 2764 B9R1.134 CNCC1(OCCO1)C MCULE-1786760142 [0,1,0,1,0,0|1,0,1]=4 2765 B9R1.3 CC1CCNC(=O)C1N MCULE-8466322754 [0,1,0,1,0,0|2,0,0]=4 2766 B9R1.3 CN1CCCC(C1=O)N MCULE-3986588144 [0,1,0,1,0,0|2,0,0]=4 2767 B9R1.3 CN1CCCC(C1=O)N MCULE-7149075004 [0,1,0,1,0,0|2,0,0]=4 2768 B9R1.3 CN1CCCC(C1=O)N MCULE-8825003509 [0,1,0,1,0,0|2,0,0]=4 2769 B9R1.3 CN1CCCC(C1=O)N MCULE-8988509393 [0,1,0,1,0,0|2,0,0]=4 2770 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-1758642850 [0,1,0,1,0,0|2,0,0]=4 2771 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-3159461429 [0,1,0,1,0,0|2,0,0]=4 2772 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-7461179322 [0,1,0,1,0,0|2,0,0]=4 2773 B9R1.3 CN1CCC[C@@H](C1=O)N MCULE-9831345261 [0,1,0,1,0,0|2,0,0]=4 2774 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-1637263724 [0,1,0,1,0,0|2,0,0]=4 2775 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-4764518735 [0,1,0,1,0,0|2,0,0]=4 2776 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-8517113396 [0,1,0,1,0,0|2,0,0]=4 2777 B9R1.3 CN1CCC[C@H](C1=O)N MCULE-8710321967 [0,1,0,1,0,0|2,0,0]=4 2778 B9R1.3 NC1CCCN(C1=O)O MCULE-1786572763 [0,1,0,1,0,0|2,0,0]=4 2779 B9R1.3 O=C1NCCC(C1Cl)O MCULE-3547246755 [0,1,0,1,0,0|2,0,0]=4 2780 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O MCULE-4122559640 [0,1,0,1,0,0|2,0,0]=4 2781 B9R1.5 CC1NCCCNC1=O MCULE-3428365237 [0,1,0,1,0,0|2,0,0]=4 2782 B9R1.5 CC1NCCCNC1=O MCULE-7033727889 [0,1,0,1,0,0|2,0,0]=4 2783 B9R1.5 CC1OCCCNC1=O MCULE-1643502257 [0,1,0,1,0,0|2,0,0]=4 2784 B9R1.5 CN1CCCNCC1=O MCULE-4819094676 [0,1,0,1,0,0|2,0,0]=4 2785 B9R1.5 CN1CCCNCC1=O MCULE-6447746902 [0,1,0,1,0,0|2,0,0]=4 2786 B9R1.5 C[C@@H]1NCCCNC1=O MCULE-1934186049 [0,1,0,1,0,0|2,0,0]=4 2787 B9R1.5 C[C@@H]1NCCCNC1=O MCULE-5236470932 [0,1,0,1,0,0|2,0,0]=4 2788 B9R1.5 C[C@H]1NCCCNC1=O MCULE-1257602323 [0,1,0,1,0,0|2,0,0]=4 2789 B9R1.5 C[C@H]1NCCCNC1=O MCULE-9576161221 [0,1,0,1,0,0|2,0,0]=4 2790 B9R1.5 NC1CCCCCC1=O MCULE-1905655125 [0,1,0,1,0,0|2,0,0]=4 2791 B9R1.5 NC1CCCCCC1=O MCULE-7826089166 [0,1,0,1,0,0|2,0,0]=4 2792 B9R1.5 NC1CCCCNC1=O MCULE-1440525393 [0,1,0,1,0,0|2,0,0]=4 2793 B9R1.5 NC1CCCCNC1=O MCULE-9185446308 [0,1,0,1,0,0|2,0,0]=4 2794 B9R1.5 NC1CCCCNC1=O MCULE-9575519565 [0,1,0,1,0,0|2,0,0]=4 2795 B9R1.5 NC1CCCCNC1=O MCULE-9618135909 [0,1,0,1,0,0|2,0,0]=4 2796 B9R1.5 NC1CSCCNC1=O MCULE-7770173405 [0,1,0,1,0,0|1,1,0]=4 2797 B9R1.5 NC1CSCCNC1=O MCULE-9983094521 [0,1,0,1,0,0|1,1,0]=4 2798 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-5153147263 [0,1,0,1,0,0|2,0,0]=4 2799 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7391081425 [0,1,0,1,0,0|2,0,0]=4 2800 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7745749225 [0,1,0,1,0,0|2,0,0]=4 2801 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-8592559653 [0,1,0,1,0,0|2,0,0]=4 2802 B9R1.5 N[C@@H]1COCCNC1=O MCULE-1477215870 [0,1,0,1,0,0|1,0,0]=3 2803 B9R1.5 N[C@@H]1COCCNC1=O MCULE-2338970221 [0,1,0,1,0,0|1,0,0]=3 2804 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-1397409442 [0,1,0,1,0,0|1,1,0]=4 2805 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-7600788919 [0,1,0,1,0,0|1,1,0]=4 2806 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1339098987 [0,1,0,1,0,0|2,0,0]=4 2807 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1817473261 [0,1,0,1,0,0|2,0,0]=4 2808 B9R1.5 N[C@H]1CCCCNC1=O MCULE-2707429520 [0,1,0,1,0,0|2,0,0]=4 2809 B9R1.5 N[C@H]1CCCCNC1=O MCULE-9750792164 [0,1,0,1,0,0|2,0,0]=4 2810 B9R1.5 N[C@H]1COCCNC1=O MCULE-2013857076 [0,1,0,1,0,0|1,0,0]=3 2811 B9R1.5 N[C@H]1COCCNC1=O MCULE-4948373035 [0,1,0,1,0,0|1,0,0]=3 2812 B9R1.5 N[C@H]1COCCNC1=O MCULE-6232646531 [0,1,0,1,0,0|1,0,0]=3 2813 B9R1.5 N[C@H]1COCCNC1=O MCULE-7847351792 [0,1,0,1,0,0|1,0,0]=3 2814 B9R1.5 N[C@H]1CSCCNC1=O MCULE-4925355772 [0,1,0,1,0,0|1,1,0]=4 2815 B9R1.5 N[C@H]1CSCCNC1=O MCULE-6049507227 [0,1,0,1,0,0|1,1,0]=4 2816 B9R1.5 N[C@H]1CSCCNC1=O MCULE-8145988653 [0,1,0,1,0,0|1,1,0]=4 2817 B9R1.5 O=C1CNCCCC1F MCULE-6506742195 [0,1,0,1,0,0|2,0,0]=4 2818 B9R1.5 O=C1CNCCCC1F MCULE-9667202528 [0,1,0,1,0,0|2,0,0]=4 2819 B9R1.11 CCC(=O)C1CCOC1 MCULE-1322014645 [0,1,0,1,0,0|2,0,0]=4 2820 B9R1.11 NCC(=O)C1CCCC1 MCULE-2498486150 [0,1,0,1,0,0|2,0,0]=4 2821 B9R1.11 NCC(=O)C1CCCC1 MCULE-5406973286 [0,1,0,1,0,0|2,0,0]=4 2822 B9R1.11 NCC(=O)N1CCCC1 MCULE-3024051267 [0,1,0,1,0,0|2,0,0]=4 2823 B9R1.11 NCC(=O)N1CCCC1 MCULE-5492264097 [0,1,0,1,0,0|2,0,0]=4 2824 B9R1.11 NCC(=O)N1CCCC1 MCULE-9879098395 [0,1,0,1,0,0|2,0,0]=4 2825 B9R1.11 NCC(=O)N1CCCO1 MCULE-2938129141 [0,1,0,1,0,0|1,0,0]=3 2826 B9R1.11 NCC(=O)N1CCCO1 MCULE-4442085417 [0,1,0,1,0,0|1,0,0]=3 2827 B9R1.11 NNC(=O)C1CCCO1 MCULE-7320789673 [0,1,0,1,0,0|2,0,0]=4 2828 B9R1.11 NNC(=O)C1CCCO1 MCULE-9371435722 [0,1,0,1,0,0|2,0,0]=4 2829 B9R1.11 NNC(=O)C1CCOC1 MCULE-1616364111 [0,1,0,1,0,0|2,0,0]=4 2830 B9R1.11 NNC(=O)[C@@H]1CCCO1 MCULE-4678621422 [0,1,0,1,0,0|2,0,0]=4 2831 B9R1.11 NNC(=O)[C@H]1CCCO1 MCULE-2795201954 [0,1,0,1,0,0|2,0,0]=4 2832 B9R1.11 O=C(CBr)C1CCCO1 MCULE-9978996372 [0,1,0,1,0,0|2,0,0]=4 2833 B9R1.11 O=C(CBr)C1CCOC1 MCULE-6832037750 [0,1,0,1,0,0|2,0,0]=4 2834 B9R1.11 O=C(CCl)C1CCCO1 MCULE-4619044936 [0,1,0,1,0,0|2,0,0]=4 2835 B9R1.37 CC1CN(C(=O)C1N)O MCULE-1541937372 [0,1,0,1,0,0|2,0,0]=4 2836 B9R1.37 CC1CN(C(=O)C1N)O MCULE-3876251131 [0,1,0,1,0,0|2,0,0]=4 2837 B9R1.37 CC1OC(=O)C(C1O)O MCULE-1862325809 [0,1,0,1,0,0|1,0,0]=3 2838 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-1789519376 [0,1,0,1,0,0|2,0,0]=4 2839 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-4750685085 [0,1,0,1,0,0|2,0,0]=4 2840 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-7635519729 [0,1,0,1,0,0|2,0,0]=4 2841 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-7984264167 [0,1,0,1,0,0|2,0,0]=4 2842 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-8015807838 [0,1,0,1,0,0|2,0,0]=4 2843 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-8810381823 [0,1,0,1,0,0|2,0,0]=4 2844 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1I)O MCULE-8523724511 [0,1,0,1,0,0|2,0,0]=4 2845 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O MCULE-3554272195 [0,1,0,1,0,0|1,0,0]=3 2846 B9R1.37 C[C@H]1CN(C(=O)[C@H]1N)O MCULE-6099115683 [0,1,0,1,0,0|2,0,0]=4 2847 B9R1.37 C[C@H]1CN(C(=O)[C@H]1N)O MCULE-6659955179 [0,1,0,1,0,0|2,0,0]=4 2848 B9R1.82 O=C(CCl)N1CC(C1)O MCULE-3044662085 [0,1,0,1,0,0|2,0,0]=4 2849 B9R1.88 COC(=O)[C@H]1O[C@@H]1CO MCULE-8447681594 [0,1,0,1,0,0|2,0,0]=4 2850 B9R1.132 CN1C(=O)CCC1CO MCULE-1191755112 [0,1,0,1,0,0|2,0,0]=4 2851 B9R1.132 CN1C(=O)CC[C@@H]1CO MCULE-3774785586 [0,1,0,1,0,0|2,0,0]=4 2852 B9R1.132 CN1C(=O)CC[C@@H]1CO MCULE-6918454394 [0,1,0,1,0,0|2,0,0]=4 2853 B9R1.132 CN1C(=O)CC[C@H]1CO MCULE-2827633861 [0,1,0,1,0,0|2,0,0]=4 2854 B9R1.132 CN1C(=O)CC[C@H]1CO MCULE-6009129420 [0,1,0,1,0,0|2,0,0]=4 2855 B9R1.132 CN1C(=O)OCC1CO MCULE-8007610205 [0,1,0,1,0,0|2,0,0]=4 2856 B9R1.1 COC1CCC(=O)CC1 MCULE-7787037916 [0,1,0,1,0,0|2,0,0]=4 2857 B9R1.1 NCC1CCC(CO1)O MCULE-3286854000 [0,1,0,1,0,0|1,0,1]=4 2858 B9R1.1 O=C1CCC(CC1)CO MCULE-4178685012 [0,1,0,1,0,0|2,0,0]=4 2859 B9R1.1 O=C1CCC(CN1)CO MCULE-5019571847 [0,1,0,1,0,0|2,0,0]=4 2860 B9R1.1 O=C1CNC(CN1)CF MCULE-3284861757 [0,1,0,1,0,0|2,0,0]=4 2861 B9R1.1 O=C1COC(CN1)CO MCULE-3703451145 [0,1,0,1,0,0|2,0,0]=4 2862 B9R1.1 O=C1COC(CN1)CO MCULE-5925278805 [0,1,0,1,0,0|2,0,0]=4 2863 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-1871269946 [0,1,0,1,0,0|2,0,0]=4 2864 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-9723228936 [0,1,0,1,0,0|2,0,0]=4 2865 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-2317836867 [0,1,0,1,0,0|2,0,0]=4 2866 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-9180023061 [0,1,0,1,0,0|2,0,0]=4 2867 B9R1.17 COCCOC1CNC1 MCULE-3534718347 [0,1,0,1,0,0|1,0,1]=4 2868 B9R1.17 COCCOC1CNC1 MCULE-5829328903 [0,1,0,1,0,0|1,0,1]=4 2869 B9R1.21 NCC1=CC=C(O1)CO MCULE-1690434899 [0,1,0,1,0,0|1,0,1]=4 2870 B9R1.79 CCC(=O)OC1CNC1 MCULE-8106169407 [0,1,0,1,0,0|2,0,0]=4 2871 B9R1.79 NCC(=O)NC1CCC1 MCULE-8040360542 [0,1,0,1,0,0|2,0,0]=4 2872 B9R1.79 NCC(=O)NC1CCC1 MCULE-8774684705 [0,1,0,1,0,0|2,0,0]=4 2873 B9R1.79 O=C(CCl)OC1CNC1 MCULE-1424054086 [0,1,0,1,0,0|2,0,0]=4 2874 B9R1.80 C=CC(=O)OCC1CO1 MCULE-6559949120 [0,1,0,1,0,0|1,0,1]=4 2875 B9R1.80 NCC(=O)OCC1CC1 MCULE-1976246933 [0,1,0,1,0,0|1,0,0]=3 2876 B9R1.80 NCC(=O)OCC1CC1 MCULE-6257043919 [0,1,0,1,0,0|1,0,0]=3 2877 B9R1.118 CC1(COCCO1)CN MCULE-3869931142 [0,1,0,1,0,0|1,0,1]=4 2878 B9R1.118 CC1(COCCO1)CN MCULE-6966689189 [0,1,0,1,0,0|1,0,1]=4 2879 B9R1.118 CC1(OCCCO1)CN MCULE-9244283541 [0,1,0,1,0,0|1,0,1]=4 2880 B9R1.23 CN1CC(OC1=O)CO MCULE-5538633197 [0,1,0,1,0,0|2,0,0]=4 2881 B9R1.23 CN1C[C@@H](OC1=O)CO MCULE-4135827262 [0,1,0,1,0,0|2,0,0]=4 2882 B9R1.23 CN1C[C@@H](OC1=O)CO MCULE-4222195719 [0,1,0,1,0,0|2,0,0]=4 2883 B9R1.23 CN1C[C@H](OC1=O)CO MCULE-5673899033 [0,1,0,1,0,0|2,0,0]=4 2884 B9R1.23 CN1C[C@H](OC1=O)CO MCULE-7788246551 [0,1,0,1,0,0|2,0,0]=4 2885 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,1,0,1,0,0|1,0,1]=4 2886 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,1,0,1,0,0|1,0,1]=4 2887 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,1,0,1,0,0|1,0,1]=4 2888 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,1,0,1,0,0|1,0,1]=4 2889 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,1,0,1,0,0|1,0,1]=4 2890 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,1,0,1,0,0|1,0,1]=4 2891 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,1,0,1,0,0|1,0,1]=4 2892 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,1,0,1,0,0|1,0,1]=4 2893 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,1,0,1,0,0|1,0,1]=4 2894 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,1,0,1,0,0|1,0,1]=4 2895 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,1,0,1,0,0|1,0,1]=4 2896 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,1,0,1,0,0|1,0,1]=4 2897 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,1,0,1,0,0|1,0,1]=4 2898 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,1,0,1,0,0|1,0,1]=4 2899 B9R1.40 CC1(CCCNC1=O)N MCULE-5500513283 [0,1,0,1,0,0|2,0,0]=4 2900 B9R1.40 CC1(CCCNC1=O)N MCULE-5995809623 [0,1,0,1,0,0|2,0,0]=4 2901 B9R1.40 CC1(CCCOC1=O)C MCULE-9200729474 [0,1,0,1,0,0|2,0,0]=4 2902 B9R1.40 CC1(NCCOC1=O)C MCULE-4468431509 [0,1,0,1,0,0|2,0,0]=4 2903 B9R1.40 CC1(OCCCC1=O)C MCULE-1810586504 [0,1,0,1,0,0|2,0,0]=4 2904 B9R1.106 CC1(C(=O)CCC1O)C MCULE-3636393805 [0,1,0,1,0,0|2,0,0]=4 2905 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O MCULE-6247915400 [0,1,0,1,0,0|1,0,0]=3 2906 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O MCULE-6635734630 [0,1,0,1,0,0|1,0,0]=3 2907 B9R1.106 O=C1NCC(C1(F)F)O MCULE-2567884183 [0,1,0,1,0,0|2,0,0]=4 2908 B9R1.112 CC(N)C(=O)NC1CC1 MCULE-6609950351 [0,1,0,1,0,0|2,0,0]=4 2909 B9R1.163 CC(N)C1(OCCO1)C MCULE-2893079854 [0,1,0,1,0,0|1,0,1]=4 2910 B9R1.10 CC1(CCC(=O)CC1)O MCULE-2229659445 [0,1,0,1,0,0|2,0,0]=4 2911 B9R1.10 CC1(CCC(=O)NC1)O MCULE-7575084639 [0,1,0,1,0,0|2,0,0]=4 2912 B9R1.10 CC1(CNC(=O)CN1)C MCULE-9513973165 [0,1,0,1,0,0|2,0,0]=4 2913 B9R1.67 CC(O)CC1CCC1=O MCULE-5157418140 [0,1,0,1,0,0|2,0,0]=4 2914 B9R1.125 CC1(CCC(=O)N1)CO MCULE-9700105207 [0,1,0,1,0,0|2,0,0]=4 2915 B9R1.125 CCC1(CCC(=O)O1)C MCULE-1533992852 [0,1,0,1,0,0|2,0,0]=4 2916 B9R1.138 CC1(CNC(=O)C1N)C MCULE-8991613475 [0,1,0,1,0,0|2,0,0]=4 2917 B9R1.138 CC1(COC(=O)C1N)C MCULE-1682618419 [0,1,0,1,0,0|1,0,0]=3 2918 B9R1.138 CC1(COC(=O)C1N)C MCULE-3128113500 [0,1,0,1,0,0|1,0,0]=3 2919 B9R1.138 CC1(COC(=O)C1O)C MCULE-1379755407 [0,1,0,1,0,0|2,0,0]=4 2920 B9R1.138 CC1(COC(=O)C1O)C MCULE-2206761895 [0,1,0,1,0,0|2,0,0]=4 2921 B9R1.138 CC1(COC(=O)[C@@H]1O)C MCULE-1523390021 [0,1,0,1,0,0|2,0,0]=4 2922 B9R1.138 CC1(COC(=O)[C@@H]1O)C MCULE-6977613194 [0,1,0,1,0,0|2,0,0]=4 2923 B9R1.138 CC1(COC(=O)[C@H]1O)C MCULE-3908533499 [0,1,0,1,0,0|2,0,0]=4 2924 B9R1.138 CC1(COC(=O)[C@H]1O)C MCULE-4242205405 [0,1,0,1,0,0|2,0,0]=4 2925 B9R1.138 CC1(CSC(=O)C1N)C MCULE-5995445974 [0,1,0,1,0,0|1,1,0]=4 2926 B9R1.138 CC1(CSC(=O)C1N)C MCULE-9718071604 [0,1,0,1,0,0|1,1,0]=4 2927 B9R2.20 O=C1OCC2C1CC2 MCULE-4454485399 [0,0,0,2,0,0|2,0,0]=4 2928 B9R2.20 O=C1OC[C@@H]2[C@@H]1CC2 MCULE-8016618193 [0,0,0,2,0,0|2,0,0]=4 2929 B9R2.39 C12CNC(C1)C(=O)O2 MCULE-4651135224 [0,0,0,2,0,0|2,0,0]=4 2930 B9R2.39 O=C1CC2CCC1N2 MCULE-2060564396 [0,0,0,2,0,0|2,0,0]=4 2931 B9R2.39 O=C1CC2CCC1N2 MCULE-3298355504 [0,0,0,2,0,0|2,0,0]=4 2932 B9R2.39 O=C1OC2CNC1C2 MCULE-1081203973 [0,0,0,2,0,0|2,0,0]=4 2933 B9R2.39 O=C1OC2CNC1C2 MCULE-4715019258 [0,0,0,2,0,0|2,0,0]=4 2934 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-1020161730 [0,0,0,2,0,0|2,0,0]=4 2935 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-3837738406 [0,0,0,2,0,0|2,0,0]=4 2936 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-6980885310 [0,0,0,2,0,0|2,0,0]=4 2937 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-4857421267 [0,0,0,2,0,0|2,0,0]=4 2938 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-5314520254 [0,0,0,2,0,0|2,0,0]=4 2939 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-8592680797 [0,0,0,2,0,0|2,0,0]=4 2940 B9R2.19 O=C1NCC2CC1N2 MCULE-4322893965 [0,0,0,2,0,0|2,0,0]=4 2941 B9R2.173 C1COC2(O1)CNC2 MCULE-1337769309 [0,0,0,2,0,0|1,0,1]=4 2942 B9R2.173 C1COC2(O1)CNC2 MCULE-2940483600 [0,0,0,2,0,0|1,0,1]=4 2943 B9R2.7 O=C1CC2C1NCC2 MCULE-5565431334 [0,0,0,2,0,0|2,0,0]=4 2944 B9R2.7 O=C1CC2C1NCC2 MCULE-8877801710 [0,0,0,2,0,0|2,0,0]=4