0 B9R1.6 C1(CNCCN1)C(=O)O MCULE-2145678876 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.6 C1(CNCCN1)C(=O)O MCULE-9477513225 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.6 C1(COCCN1)C(=O)O MCULE-7653061162 [0,0,0,0,0,0|1,1,2]=4 3 B9R1.6 C1(COCCN1)C(=O)O MCULE-8375563970 [0,0,0,0,0,0|1,1,2]=4 4 B9R1.6 CC(=O)C1=CC=CC=C1 MCULE-4710225344 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.6 CC(=O)C1=CC=CC=N1 MCULE-7714885820 [0,0,0,0,0,0|1,0,3]=4 6 B9R1.6 CC(=O)C1=CC=CN=N1 MCULE-1105133022 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.6 CC(=O)C1=CC=NC=C1 MCULE-6567027343 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 CC(=O)C1=CCCCC1 MCULE-9958324589 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.6 CC(=O)C1=CN=CC=C1 MCULE-8295843302 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.6 CC(=O)C1=CN=CN=C1 MCULE-1179208473 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.6 CC(=O)C1=CN=NC=C1 MCULE-3357999917 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.6 CC(=O)C1=CSCCN1 MCULE-8962394930 [0,0,0,0,0,0|0,0,0]=0 13 B9R1.6 CC(=O)C1=NC=CN=C1 MCULE-7752756680 [0,0,0,0,0,0|1,0,3]=4 14 B9R1.6 CC(=O)C1=NC=NC=C1 MCULE-8168389148 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.6 CC(=O)C1=NCCCC1 MCULE-8103583007 [0,0,0,0,0,0|1,0,2]=3 16 B9R1.6 CC(=O)C1=NCCCC1 MCULE-8275418154 [0,0,0,0,0,0|1,0,2]=3 17 B9R1.6 CC(=O)C1CCCCC1 MCULE-3582349091 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.6 CC(=O)C1CCCCN1 MCULE-2854776557 [0,0,0,0,0,0|1,0,2]=3 19 B9R1.6 CC(=O)C1CCCCN1 MCULE-7483298696 [0,0,0,0,0,0|1,0,2]=3 20 B9R1.6 CC(=O)C1CCCCO1 MCULE-6292051941 [0,0,0,0,0,0|2,0,2]=4 21 B9R1.6 CC(=O)C1CCCNC1 MCULE-5048287619 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.6 CC(=O)C1CCCNC1 MCULE-7308448482 [0,0,0,0,0,0|2,0,2]=4 23 B9R1.6 CC(=O)C1CCCOC1 MCULE-8355092375 [0,0,0,0,0,0|1,1,2]=4 24 B9R1.6 CC(=O)C1CNCCO1 MCULE-1332213026 [0,0,0,0,0,0|2,0,2]=4 25 B9R1.6 CC(=O)C1CNCCO1 MCULE-8599628301 [0,0,0,0,0,0|2,0,2]=4 26 B9R1.6 CC(=O)C1COCCO1 MCULE-5168266299 [0,0,0,0,0,0|1,1,2]=4 27 B9R1.6 CC(=O)N1CCCCC1 MCULE-2376049669 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.6 CC(=O)N1CCCNC1 MCULE-1504945403 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-6225629414 [0,0,0,0,0,0|1,0,2]=3 30 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-9308955565 [0,0,0,0,0,0|1,0,2]=3 31 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6405789728 [0,0,0,0,0,0|1,0,2]=3 32 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6966774576 [0,0,0,0,0,0|1,0,2]=3 33 B9R1.6 CC(C)C1=CCCC=C1 MCULE-2122379675 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.6 CC(N)C1=CCCCC1 MCULE-5707046388 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.6 CC(N)C1=CCCCC1 MCULE-8715470831 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.6 NC(=O)C1=CNCCC1 MCULE-5396085408 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.6 NC(=O)C1=COCCC1 MCULE-1179770781 [0,0,0,0,0,0|2,1,0]=3 38 B9R1.6 NC(=O)C1CCCCN1 MCULE-2544126054 [0,0,0,0,0,0|2,0,2]=4 39 B9R1.6 NC(=O)C1CCCCN1 MCULE-6661716686 [0,0,0,0,0,0|2,0,2]=4 40 B9R1.6 NC(=O)C1CNCCN1 MCULE-6032361805 [0,0,0,0,0,0|2,0,2]=4 41 B9R1.6 NC(=O)C1CNCCN1 MCULE-7459621704 [0,0,0,0,0,0|2,0,2]=4 42 B9R1.6 NC(=O)C1COCCN1 MCULE-3997305592 [0,0,0,0,0,0|1,1,2]=4 43 B9R1.6 NC(=O)C1COCCN1 MCULE-8679226087 [0,0,0,0,0,0|1,1,2]=4 44 B9R1.6 NC(=O)C1CSCCN1 MCULE-5519659168 [0,0,0,0,0,0|1,0,2]=3 45 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-3203472135 [0,0,0,0,0,0|2,0,2]=4 46 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-3866777440 [0,0,0,0,0,0|2,0,2]=4 47 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-6105431602 [0,0,0,0,0,0|2,0,2]=4 48 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-7727900968 [0,0,0,0,0,0|2,0,2]=4 49 B9R1.6 NC(=O)[C@H]1CCCCN1 MCULE-5554529404 [0,0,0,0,0,0|2,0,2]=4 50 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-1527418805 [0,0,0,0,0,0|2,0,2]=4 51 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-6529490056 [0,0,0,0,0,0|2,0,2]=4 52 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-9894216692 [0,0,0,0,0,0|2,0,2]=4 53 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-1904729907 [0,0,0,0,0,0|1,1,2]=4 54 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7069433109 [0,0,0,0,0,0|1,1,2]=4 55 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7970834070 [0,0,0,0,0,0|1,1,2]=4 56 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-9117686776 [0,0,0,0,0,0|1,1,2]=4 57 B9R1.6 O=C(Cl)C1=CCCCC1 MCULE-8228686007 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.6 O=C(Cl)C1=CCOCC1 MCULE-9144118947 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.6 O=C(Cl)C1=COCCO1 MCULE-9393230121 [0,0,0,0,0,0|2,1,0]=3 60 B9R1.6 O=C(O)C1=CCCCC1 MCULE-1482472372 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.6 O=C(O)C1=CCCCO1 MCULE-8158964792 [0,0,0,0,0,0|3,0,0]=3 62 B9R1.6 O=C(O)C1=CCCNC1 MCULE-7878143035 [0,0,0,0,0,0|3,0,1]=4 63 B9R1.6 O=C(O)C1=CCCNC1 MCULE-9382105537 [0,0,0,0,0,0|3,0,1]=4 64 B9R1.6 O=C(O)C1=CCCOC1 MCULE-4597846034 [0,0,0,0,0,0|2,1,1]=4 65 B9R1.6 O=C(O)C1=CCCSC1 MCULE-6991730217 [0,0,0,0,0,0|2,0,1]=3 66 B9R1.6 O=C(O)C1=CCNCC1 MCULE-7813592729 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.6 O=C(O)C1=CCNCC1 MCULE-9446043448 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.6 O=C(O)C1=CCOCC1 MCULE-8602474600 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.6 O=C(O)C1=COCCC1 MCULE-4203786677 [0,0,0,0,0,0|2,1,0]=3 70 B9R1.6 O=C(O)C1=COCCO1 MCULE-9406944236 [0,0,0,0,0,0|2,1,0]=3 71 B9R1.6 O=C(O)C1=NNCCC1 MCULE-7500831474 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [0,0,0,0,0,0|3,0,1]=4 73 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [0,0,0,0,0,0|2,0,2]=4 74 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [0,0,0,0,0,0|2,0,2]=4 75 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [0,0,0,0,0,0|2,0,2]=4 76 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [0,0,0,0,0,0|2,0,2]=4 77 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [0,0,0,0,0,0|2,0,2]=4 78 B9R1.6 O=C(O)C1CNCCN1 MCULE-2689074129 [0,0,0,0,0,0|2,0,2]=4 79 B9R1.6 O=C(O)C1CNCCN1 MCULE-4697614875 [0,0,0,0,0,0|2,0,2]=4 80 B9R1.6 O=C(O)C1CNCCN1 MCULE-7015381558 [0,0,0,0,0,0|2,0,2]=4 81 B9R1.6 O=C(O)C1COCCN1 MCULE-2235592409 [0,0,0,0,0,0|1,1,2]=4 82 B9R1.6 O=C(O)C1COCCN1 MCULE-6865044459 [0,0,0,0,0,0|1,1,2]=4 83 B9R1.6 O=C(O)C1CSCCN1 MCULE-4003309722 [0,0,0,0,0,0|1,0,2]=3 84 B9R1.6 O=C(O)C1CSCCN1 MCULE-5519716572 [0,0,0,0,0,0|1,0,2]=3 85 B9R1.6 O=C(O)C1CSCCS1 MCULE-6267524662 [0,0,0,0,0,0|2,0,2]=4 86 B9R1.6 O=C(O)C1NCCCS1 MCULE-7316372918 [0,0,0,0,0,0|3,0,1]=4 87 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [0,0,0,0,0,0|2,0,2]=4 88 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [0,0,0,0,0,0|2,0,2]=4 89 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [0,0,0,0,0,0|2,0,2]=4 90 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [0,0,0,0,0,0|2,0,2]=4 91 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-2545046706 [0,0,0,0,0,0|2,0,2]=4 92 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-5694807182 [0,0,0,0,0,0|2,0,2]=4 93 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7177432982 [0,0,0,0,0,0|2,0,2]=4 94 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7413709257 [0,0,0,0,0,0|2,0,2]=4 95 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-1789021231 [0,0,0,0,0,0|1,1,2]=4 96 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-4026574279 [0,0,0,0,0,0|1,1,2]=4 97 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-7736477261 [0,0,0,0,0,0|1,1,2]=4 98 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-8166049277 [0,0,0,0,0,0|1,1,2]=4 99 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-3905601111 [0,0,0,0,0,0|1,0,2]=3 100 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9668825603 [0,0,0,0,0,0|1,0,2]=3 101 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9675980130 [0,0,0,0,0,0|1,0,2]=3 102 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [0,0,0,0,0,0|2,0,2]=4 103 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [0,0,0,0,0,0|2,0,2]=4 104 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [0,0,0,0,0,0|2,0,2]=4 105 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [0,0,0,0,0,0|2,0,2]=4 106 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [0,0,0,0,0,0|2,0,2]=4 107 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-2073761586 [0,0,0,0,0,0|2,0,2]=4 108 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-3099021896 [0,0,0,0,0,0|2,0,2]=4 109 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-5862899979 [0,0,0,0,0,0|2,0,2]=4 110 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-8591926633 [0,0,0,0,0,0|2,0,2]=4 111 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-9781518658 [0,0,0,0,0,0|2,0,2]=4 112 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-2388461804 [0,0,0,0,0,0|1,1,2]=4 113 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-3810653827 [0,0,0,0,0,0|1,1,2]=4 114 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-6589310258 [0,0,0,0,0,0|1,1,2]=4 115 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-9158991594 [0,0,0,0,0,0|1,1,2]=4 116 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-2174373928 [0,0,0,0,0,0|1,0,2]=3 117 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-5936347595 [0,0,0,0,0,0|1,0,2]=3 118 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-8464504119 [0,0,0,0,0,0|1,0,2]=3 119 B9R1.6 O=C([O-])C1CCCCN1 MCULE-2358540296 [0,0,0,0,0,0|2,0,2]=4 120 B9R1.6 O=N(=O)C1=CCCCC1 MCULE-3902997389 [0,0,0,0,0,0|4,0,0]=4 121 B9R1.6 [C@H]1(CSCCN1)C(=O)O MCULE-2592294388 [0,0,0,0,0,0|1,0,2]=3 122 B8R1.2 CC=C1CCCCC1 MCULE-6327883518 [1,0,0,0,0,0|2,0,1]=4 123 B8R1.2 CCC1=CCCC=C1 MCULE-7185315314 [1,0,0,0,0,0|2,0,1]=4 124 B8R1.2 COC1=CCCCC1 MCULE-9079372045 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.2 CSC1=NCCCN1 MCULE-4252949660 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.2 CSC1=NCCCN1 MCULE-4367422216 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.2 CSC1=NCCCN1 MCULE-7320602045 [1,0,0,0,0,0|3,0,0]=4 128 B8R1.2 CSC1=NCCSC1 MCULE-1243311765 [1,0,0,0,0,0|1,0,2]=4 129 B8R1.2 O=CC1=CCCCC1 MCULE-6209420256 [1,0,0,0,0,0|2,0,0]=3 130 B8R1.2 O=CC1=CCCOC1 MCULE-5495935874 [1,0,0,0,0,0|1,1,1]=4 131 B8R1.2 O=CC1=CCCSC1 MCULE-9611960845 [1,0,0,0,0,0|1,0,1]=3 132 B8R1.2 O=CC1=COCCC1 MCULE-5246467858 [1,0,0,0,0,0|1,1,0]=3 133 B8R1.2 O=CC1=COCCO1 MCULE-4502742368 [1,0,0,0,0,0|1,1,0]=3 134 B8R1.2 O=CC1C=CCCC1 MCULE-7360804121 [1,0,0,0,0,0|2,0,1]=4 135 B8R1.2 O=CC1CCCCN1 MCULE-7681438476 [1,0,0,0,0,0|1,0,2]=4 136 B8R1.2 O=CC1CCCCN1 MCULE-9370686295 [1,0,0,0,0,0|1,0,2]=4 137 B8R1.2 O=CC1CCCSC1 MCULE-8369808876 [1,0,0,0,0,0|1,0,2]=4 138 B10R1.13 CC(=O)C1=CC=C(CC1)C MCULE-6088214601 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.13 CC(=O)C1=CCN(CC1)C MCULE-2033609377 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.13 CC1CC=C(CC1)C(=O)O MCULE-7341526311 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.13 NC1CC=C(CC1)C(=O)O MCULE-8027933659 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.15 C1(CCCCN1)C(=O)OC MCULE-3306037072 [0,1,0,0,0,0|1,0,2]=4 143 B10R1.15 C1(CCCCN1)C(=O)OC MCULE-9288344897 [0,1,0,0,0,0|1,0,2]=4 144 B10R1.15 C1(CNCCN1)C(=O)OC MCULE-2958013355 [0,1,0,0,0,0|1,0,2]=4 145 B10R1.15 C1(CNCCN1)C(=O)OC MCULE-6072954554 [0,1,0,0,0,0|1,0,2]=4 146 B10R1.15 C1(COCCN1)C(=O)OC MCULE-1359060783 [0,1,0,0,0,0|0,1,2]=4 147 B10R1.15 C1(COCCN1)C(=O)OC MCULE-5136187934 [0,1,0,0,0,0|0,1,2]=4 148 B10R1.15 CCC(=O)C1CCCCN1 MCULE-6703727171 [0,1,0,0,0,0|1,0,2]=4 149 B10R1.15 CCC(=O)C1CCCCN1 MCULE-7018103553 [0,1,0,0,0,0|1,0,2]=4 150 B10R1.15 CNC(=O)C1CCCCN1 MCULE-2059398226 [0,1,0,0,0,0|1,0,2]=4 151 B10R1.15 CNC(=O)C1CCCCN1 MCULE-6797335969 [0,1,0,0,0,0|1,0,2]=4 152 B10R1.15 CNC(=O)C1COCCN1 MCULE-9896951123 [0,1,0,0,0,0|0,1,2]=4 153 B10R1.15 CNC(=O)[C@@H]1CCCCN1 MCULE-3578222481 [0,1,0,0,0,0|1,0,2]=4 154 B10R1.15 CNC(=O)[C@@H]1CCCCN1 MCULE-5767177119 [0,1,0,0,0,0|1,0,2]=4 155 B10R1.15 CNC(=O)[C@H]1CCCCN1 MCULE-1484363402 [0,1,0,0,0,0|1,0,2]=4 156 B10R1.15 CNC(=O)[C@H]1CCCCN1 MCULE-2898288746 [0,1,0,0,0,0|1,0,2]=4 157 B10R1.15 CNC(=O)[C@H]1CCCCN1 MCULE-8199763754 [0,1,0,0,0,0|1,0,2]=4 158 B10R1.15 COC(=O)C1=CCCCC1 MCULE-3153400458 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.15 COC(=O)C1=CCCCO1 MCULE-3379510205 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.15 COC(=O)C1=CCCNC1 MCULE-4220762988 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.15 COC(=O)C1=CCCNC1 MCULE-8178236584 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.15 COC(=O)C1=CCCNC1 MCULE-9139351406 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.15 COC(=O)C1=CCNCC1 MCULE-3308640134 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.15 COC(=O)C1=CCNCC1 MCULE-5623631465 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.15 COC(=O)C1=CCOCC1 MCULE-5794532366 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.15 COC(=O)C1=CNCCC1 MCULE-5565494663 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.15 COC(=O)C1=COCCC1 MCULE-2654885308 [0,1,0,0,0,0|1,1,0]=3 168 B10R1.15 COC(=O)C1CCCCN1 MCULE-1345527122 [0,1,0,0,0,0|1,0,2]=4 169 B10R1.15 COC(=O)C1CCCCN1 MCULE-3343413800 [0,1,0,0,0,0|1,0,2]=4 170 B10R1.15 COC(=O)C1CNCCN1 MCULE-5461430924 [0,1,0,0,0,0|1,0,2]=4 171 B10R1.15 COC(=O)C1CNCCN1 MCULE-5985522017 [0,1,0,0,0,0|1,0,2]=4 172 B10R1.15 COC(=O)C1COCCN1 MCULE-3550093500 [0,1,0,0,0,0|0,1,2]=4 173 B10R1.15 COC(=O)C1COCCN1 MCULE-6551273056 [0,1,0,0,0,0|0,1,2]=4 174 B10R1.15 COC(=O)C1COCCN1 MCULE-6840431140 [0,1,0,0,0,0|0,1,2]=4 175 B10R1.15 COC(=O)C1CSCCN1 MCULE-3631055578 [0,1,0,0,0,0|0,0,2]=3 176 B10R1.15 COC(=O)C1CSCCN1 MCULE-7757706847 [0,1,0,0,0,0|0,0,2]=3 177 B10R1.15 COC(=O)[C@@H]1CCCCN1 MCULE-4659733955 [0,1,0,0,0,0|1,0,2]=4 178 B10R1.15 COC(=O)[C@@H]1CCCCN1 MCULE-6675153946 [0,1,0,0,0,0|1,0,2]=4 179 B10R1.15 COC(=O)[C@@H]1CCCCN1 MCULE-7164905117 [0,1,0,0,0,0|1,0,2]=4 180 B10R1.15 COC(=O)[C@@H]1CCCCN1 MCULE-8391987811 [0,1,0,0,0,0|1,0,2]=4 181 B10R1.15 COC(=O)[C@@H]1CNCCN1 MCULE-5551273180 [0,1,0,0,0,0|1,0,2]=4 182 B10R1.15 COC(=O)[C@@H]1CNCCN1 MCULE-5976690411 [0,1,0,0,0,0|1,0,2]=4 183 B10R1.15 COC(=O)[C@@H]1CNCCN1 MCULE-7451026930 [0,1,0,0,0,0|1,0,2]=4 184 B10R1.15 COC(=O)[C@@H]1CNCCN1 MCULE-8752855910 [0,1,0,0,0,0|1,0,2]=4 185 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-5162429786 [0,1,0,0,0,0|0,1,2]=4 186 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-7239532241 [0,1,0,0,0,0|0,1,2]=4 187 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-7684323850 [0,1,0,0,0,0|0,1,2]=4 188 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-8072335300 [0,1,0,0,0,0|0,1,2]=4 189 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-8375175370 [0,1,0,0,0,0|0,1,2]=4 190 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-9876388752 [0,1,0,0,0,0|0,1,2]=4 191 B10R1.15 COC(=O)[C@@H]1CSCCN1 MCULE-2644672819 [0,1,0,0,0,0|0,0,2]=3 192 B10R1.15 COC(=O)[C@@H]1CSCCN1 MCULE-8721567121 [0,1,0,0,0,0|0,0,2]=3 193 B10R1.15 COC(=O)[C@H]1CCCCN1 MCULE-5042289968 [0,1,0,0,0,0|1,0,2]=4 194 B10R1.15 COC(=O)[C@H]1CCCCN1 MCULE-5552610931 [0,1,0,0,0,0|1,0,2]=4 195 B10R1.15 COC(=O)[C@H]1CCCCN1 MCULE-6096933206 [0,1,0,0,0,0|1,0,2]=4 196 B10R1.15 COC(=O)[C@H]1CCCCN1 MCULE-6748268572 [0,1,0,0,0,0|1,0,2]=4 197 B10R1.15 COC(=O)[C@H]1CNCCN1 MCULE-1502399125 [0,1,0,0,0,0|1,0,2]=4 198 B10R1.15 COC(=O)[C@H]1CNCCN1 MCULE-4305901126 [0,1,0,0,0,0|1,0,2]=4 199 B10R1.15 COC(=O)[C@H]1CNCCN1 MCULE-4581702554 [0,1,0,0,0,0|1,0,2]=4 200 B10R1.15 COC(=O)[C@H]1CNCCN1 MCULE-5249386287 [0,1,0,0,0,0|1,0,2]=4 201 B10R1.15 COC(=O)[C@H]1COCCN1 MCULE-2095296947 [0,1,0,0,0,0|0,1,2]=4 202 B10R1.15 COC(=O)[C@H]1COCCN1 MCULE-4051082225 [0,1,0,0,0,0|0,1,2]=4 203 B10R1.15 COC(=O)[C@H]1COCCN1 MCULE-5485853687 [0,1,0,0,0,0|0,1,2]=4 204 B10R1.15 COC(=O)[C@H]1COCCN1 MCULE-8734141342 [0,1,0,0,0,0|0,1,2]=4 205 B10R1.15 COC(=O)[C@H]1CSCCN1 MCULE-6859763829 [0,1,0,0,0,0|0,0,2]=3 206 B10R1.28 CS(=O)(=O)C1CSCCN1 MCULE-1334519352 [0,1,0,0,0,0|1,0,2]=4 207 B10R1.61 CC(=O)C1=C(CCCC1)Br MCULE-1190071084 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.61 CC(=O)C1=C(CCCC1)N MCULE-6911820459 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.61 CC(=O)C1CCCCC1=O MCULE-4487262627 [0,1,0,0,0,0|2,0,1]=4 210 B10R1.61 CC(=O)C1NCCCC1C MCULE-2230049407 [0,1,0,0,0,0|1,0,2]=4 211 B10R1.61 CC(=O)C1NCCCC1C MCULE-8677498528 [0,1,0,0,0,0|1,0,2]=4 212 B10R1.61 CC(=O)N1CCCCC1=O MCULE-2016057739 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.61 CC1=C(CCCC1)C(=O)O MCULE-2899177590 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.61 CC1=C(CCCO1)C(=O)O MCULE-1778977864 [0,1,0,0,0,0|2,1,0]=4 215 B10R1.61 CC1=C(OCCO1)C(=O)O MCULE-1214060885 [0,1,0,0,0,0|2,1,0]=4 216 B10R1.61 CC1=C(SCCO1)C(=O)O MCULE-2576357484 [0,1,0,0,0,0|2,1,0]=4 217 B10R1.61 CC1CCCC=C1C(=O)O MCULE-2002913109 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.61 NC1=C(CCCC1)C(=O)O MCULE-4360190675 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.61 O=C(O)C1=C(CCCC1)Br MCULE-4432967237 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.61 O=C(O)C1=C(CCCC1)Cl MCULE-4191246644 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.61 O=C(O)C1NCCNC1=O MCULE-5861499693 [0,1,0,0,0,0|2,0,1]=4 222 B10R1.113 CC(=O)C1=CC=CC(=O)N1 MCULE-6452912207 [0,1,0,0,0,0|1,0,2]=4 223 B10R1.113 O=C(O)C1=CC(CCC1)O MCULE-3053514968 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.113 O=C(O)C1=CS(=O)CCC1 MCULE-4974730957 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.113 O=C1C=C(CCC1)C(=O)O MCULE-6477437107 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.7 C=CCCCCC(=O)C MCULE-4268619428 [0,0,1,0,0,0|2,0,1]=4 227 B8R0.7 C=CCCCOC(=O)C MCULE-2972695808 [0,0,1,0,0,0|3,0,0]=4 228 B8R0.7 C=CCCNCC(=O)O MCULE-7775351645 [0,0,1,0,0,0|2,0,1]=4 229 B8R0.7 CC(=O)CCCCCN MCULE-3568024595 [0,0,1,0,0,0|1,0,2]=4 230 B8R0.7 CC(=O)CCCCCN MCULE-9938894581 [0,0,1,0,0,0|1,0,2]=4 231 B8R0.7 CC(=O)NCCCCN MCULE-6666803790 [0,0,1,0,0,0|2,0,1]=4 232 B8R0.7 CC(=O)NCCCCN MCULE-8971714473 [0,0,1,0,0,0|2,0,1]=4 233 B8R0.7 CC(=O)SCCCCN MCULE-2425585672 [0,0,1,0,0,0|2,0,1]=4 234 B8R0.7 CC(=O)SCCCCN MCULE-9899884734 [0,0,1,0,0,0|2,0,1]=4 235 B8R0.7 CCCC/C=C/C(=O)C MCULE-1532446839 [0,0,1,0,0,0|2,0,0]=3 236 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [0,0,1,0,0,0|3,0,0]=4 237 B8R0.7 CCCCC=CC(=O)C MCULE-6026245958 [0,0,1,0,0,0|2,0,0]=3 238 B8R0.7 CCCCC=CC(=O)Cl MCULE-3883159938 [0,0,1,0,0,0|3,0,0]=4 239 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [0,0,1,0,0,0|3,0,0]=4 240 B8R0.7 CCCSC=CC(=O)O MCULE-3074287995 [0,0,1,0,0,0|2,0,0]=3 241 B8R0.7 CCCSC=CC(=O)[O-] MCULE-9917981235 [0,0,1,0,0,0|2,0,0]=3 242 B8R0.7 CSCCCOC(=O)C MCULE-4403232519 [0,0,1,0,0,0|2,0,1]=4 243 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [0,0,1,0,0,0|1,0,2]=4 244 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [0,0,1,0,0,0|1,0,2]=4 245 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [0,0,1,0,0,0|1,0,2]=4 246 B8R0.8 C=C(C)C(=O)NCCN MCULE-4919659895 [0,0,1,0,0,0|3,0,0]=4 247 B8R0.8 C=C(C)C(=O)NCCN MCULE-8762138825 [0,0,1,0,0,0|3,0,0]=4 248 B8R0.8 C=C(C)C(=O)NCCO MCULE-3517470957 [0,0,1,0,0,0|2,1,0]=4 249 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [0,0,1,0,0,0|3,0,0]=4 250 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [0,0,1,0,0,0|3,0,0]=4 251 B8R0.8 CCCCC(=O)C(=O)C MCULE-5957201570 [0,0,1,0,0,0|2,0,1]=4 252 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [0,0,1,0,0,0|1,0,2]=4 253 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [0,0,1,0,0,0|1,0,2]=4 254 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [0,0,1,0,0,0|3,0,0]=4 255 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,0,1,0,0,0|1,0,2]=4 256 B10R2.62 O=C1CC2C=CC1CC2 MCULE-1084971182 [0,0,0,1,0,0|2,0,1]=4 257 B10R2.62 O=C1C[C@H]2C=C[C@@H]1CC2 MCULE-6040839273 [0,0,0,1,0,0|2,0,1]=4 258 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [0,0,0,0,1,0|1,0,2]=4 259 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [0,0,0,0,1,0|1,0,2]=4 260 B8R1.7 C1=NC(=CS1)C(=O)O MCULE-4723437766 [0,0,0,0,1,0|1,0,2]=4 261 B8R1.7 C=C(C)C1=NCCO1 MCULE-8164273045 [0,0,0,0,1,0|1,1,1]=4 262 B8R1.7 CC(=O)C1=CC=CN1 MCULE-8111376055 [0,0,0,0,1,0|0,0,2]=3 263 B8R1.7 CC(=O)C1=CC=CO1 MCULE-6389695813 [0,0,0,0,1,0|1,0,2]=4 264 B8R1.7 CC(=O)C1=CC=CS1 MCULE-7771755380 [0,0,0,0,1,0|1,0,2]=4 265 B8R1.7 CC(=O)C1=CC=NO1 MCULE-6400530220 [0,0,0,0,1,0|2,0,1]=4 266 B8R1.7 CC(=O)C1=CC=NO1 MCULE-7437421488 [0,0,0,0,1,0|2,0,1]=4 267 B8R1.7 CC(=O)C1=CC=NS1 MCULE-6790489481 [0,0,0,0,1,0|2,0,1]=4 268 B8R1.7 CC(=O)C1=CCCC1 MCULE-9623046872 [0,0,0,0,1,0|1,0,0]=2 269 B8R1.7 CC(=O)C1=CN=CO1 MCULE-6114499046 [0,0,0,0,1,0|2,0,1]=4 270 B8R1.7 CC(=O)C1=CN=CS1 MCULE-5771579983 [0,0,0,0,1,0|2,0,1]=4 271 B8R1.7 CC(=O)C1=CN=NS1 MCULE-2588890993 [0,0,0,0,1,0|3,0,0]=4 272 B8R1.7 CC(=O)C1=CNC=C1 MCULE-6298298881 [0,0,0,0,1,0|1,0,2]=4 273 B8R1.7 CC(=O)C1=CNC=N1 MCULE-1707621771 [0,0,0,0,1,0|1,0,2]=4 274 B8R1.7 CC(=O)C1=CNC=N1 MCULE-5046690186 [0,0,0,0,1,0|1,0,2]=4 275 B8R1.7 CC(=O)C1=CNN=C1 MCULE-2423677830 [0,0,0,0,1,0|2,0,1]=4 276 B8R1.7 CC(=O)C1=CNN=C1 MCULE-5581334055 [0,0,0,0,1,0|2,0,1]=4 277 B8R1.7 CC(=O)C1=CNN=N1 MCULE-8186228258 [0,0,0,0,1,0|2,0,1]=4 278 B8R1.7 CC(=O)C1=CNN=N1 MCULE-8747452765 [0,0,0,0,1,0|2,0,1]=4 279 B8R1.7 CC(=O)C1=COC=C1 MCULE-5791648334 [0,0,0,0,1,0|0,1,2]=4 280 B8R1.7 CC(=O)C1=COC=N1 MCULE-4496552775 [0,0,0,0,1,0|0,1,2]=4 281 B8R1.7 CC(=O)C1=CON=C1 MCULE-6833834209 [0,0,0,0,1,0|1,1,1]=4 282 B8R1.7 CC(=O)C1=CSC=C1 MCULE-3092440506 [0,0,0,0,1,0|0,0,2]=3 283 B8R1.7 CC(=O)C1=CSC=N1 MCULE-4510751071 [0,0,0,0,1,0|0,0,2]=3 284 B8R1.7 CC(=O)C1=CSN=C1 MCULE-3039959061 [0,0,0,0,1,0|1,0,1]=3 285 B8R1.7 CC(=O)C1=CSN=N1 MCULE-7632786596 [0,0,0,0,1,0|1,0,1]=3 286 B8R1.7 CC(=O)C1=C[Se]C=C1 MCULE-3604526457 [0,0,0,0,1,0|0,1,2]=4 287 B8R1.7 CC(=O)C1=NC=CN1 MCULE-5563475674 [0,0,0,0,1,0|1,0,2]=4 288 B8R1.7 CC(=O)C1=NC=CN1 MCULE-8301653421 [0,0,0,0,1,0|1,0,2]=4 289 B8R1.7 CC(=O)C1=NC=CS1 MCULE-8609457131 [0,0,0,0,1,0|0,0,3]=4 290 B8R1.7 CC(=O)C1=NC=NN1 MCULE-7383492886 [0,0,0,0,1,0|2,0,1]=4 291 B8R1.7 CC(=O)C1=NCCS1 MCULE-8548990347 [0,0,0,0,1,0|0,0,1]=2 292 B8R1.7 CC(=O)C1=NNC=C1 MCULE-1764885364 [0,0,0,0,1,0|1,0,2]=4 293 B8R1.7 CC(=O)C1=NNC=C1 MCULE-2223319558 [0,0,0,0,1,0|1,0,2]=4 294 B8R1.7 CC(=O)C1=NNN=C1 MCULE-3528005164 [0,0,0,0,1,0|2,0,1]=4 295 B8R1.7 CC(=O)C1=NOC=C1 MCULE-5515132953 [0,0,0,0,1,0|1,0,2]=4 296 B8R1.7 CC(=O)C1=NSC=C1 MCULE-3804368348 [0,0,0,0,1,0|1,0,2]=4 297 B8R1.7 CC(=O)C1CCC=N1 MCULE-5434976735 [0,0,0,0,1,0|2,0,1]=4 298 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [0,0,0,0,1,0|1,0,2]=4 299 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [0,0,0,0,1,0|0,0,2]=3 300 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [0,0,0,0,1,0|0,0,2]=3 301 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [0,0,0,0,1,0|1,0,2]=4 302 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [0,0,0,0,1,0|1,0,2]=4 303 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [0,0,0,0,1,0|1,0,2]=4 304 B8R1.7 CC(=O)C1CCOC1 MCULE-2105633909 [0,0,0,0,1,0|0,1,2]=4 305 B8R1.7 CC(=O)C1NCCS1 MCULE-4092674646 [0,0,0,0,1,0|0,0,1]=2 306 B8R1.7 CC(=O)C1NCCS1 MCULE-8660367055 [0,0,0,0,1,0|0,0,1]=2 307 B8R1.7 CC(=O)N1CCCC1 MCULE-6839528034 [0,0,0,0,1,0|2,0,1]=4 308 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [0,0,0,0,1,0|0,0,2]=3 309 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [0,0,0,0,1,0|0,0,2]=3 310 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [0,0,0,0,1,0|0,0,2]=3 311 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [0,0,0,0,1,0|0,0,2]=3 312 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [0,0,0,0,1,0|1,0,2]=4 313 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [0,0,0,0,1,0|1,0,2]=4 314 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [0,0,0,0,1,0|0,0,2]=3 315 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [0,0,0,0,1,0|0,0,2]=3 316 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [0,0,0,0,1,0|1,0,2]=4 317 B8R1.7 CN(N)C1=NCCN1 MCULE-1687710496 [0,0,0,0,1,0|3,0,0]=4 318 B8R1.7 CN(N)C1=NCCN1 MCULE-5868508277 [0,0,0,0,1,0|3,0,0]=4 319 B8R1.7 NC(=O)C1=CC=CN1 MCULE-4462347914 [0,0,0,0,1,0|1,0,2]=4 320 B8R1.7 NC(=O)C1=CC=NN1 MCULE-8826349790 [0,0,0,0,1,0|2,0,1]=4 321 B8R1.7 NC(=O)C1=CSC=C1 MCULE-2077197908 [0,0,0,0,1,0|1,0,2]=4 322 B8R1.7 NC(=O)C1=CSC=N1 MCULE-4774917632 [0,0,0,0,1,0|1,0,2]=4 323 B8R1.7 NC(=O)C1=CSN=N1 MCULE-9765038008 [0,0,0,0,1,0|2,0,1]=4 324 B8R1.7 NC(=O)C1=NCCN1 MCULE-8784849906 [0,0,0,0,1,0|2,0,0]=3 325 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [0,0,0,0,1,0|1,0,2]=4 326 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [0,0,0,0,1,0|1,0,2]=4 327 B8R1.7 NC(=O)C1CSCN1 MCULE-7557874523 [0,0,0,0,1,0|1,0,2]=4 328 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-2894820708 [0,0,0,0,1,0|1,0,2]=4 329 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-3478764941 [0,0,0,0,1,0|1,0,2]=4 330 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-6696620969 [0,0,0,0,1,0|1,0,2]=4 331 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-7629009072 [0,0,0,0,1,0|1,0,2]=4 332 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [0,0,0,0,1,0|1,0,2]=4 333 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [0,0,0,0,1,0|1,0,2]=4 334 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [0,0,0,0,1,0|1,0,2]=4 335 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [0,0,0,0,1,0|1,0,2]=4 336 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [0,0,0,0,1,0|1,0,2]=4 337 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [0,0,0,0,1,0|1,0,2]=4 338 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [0,0,0,0,1,0|1,0,2]=4 339 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [0,0,0,0,1,0|1,0,2]=4 340 B8R1.7 O=C(Cl)C1=CC=CN1 MCULE-7026539670 [0,0,0,0,1,0|1,0,2]=4 341 B8R1.7 O=C(Cl)C1=CC=NN1 MCULE-9336611884 [0,0,0,0,1,0|2,0,1]=4 342 B8R1.7 O=C(Cl)C1=CN=CN1 MCULE-9136436568 [0,0,0,0,1,0|2,0,1]=4 343 B8R1.7 O=C(Cl)C1=CSC=C1 MCULE-4098041075 [0,0,0,0,1,0|1,0,2]=4 344 B8R1.7 O=C(Cl)C1=CSC=N1 MCULE-1982441527 [0,0,0,0,1,0|1,0,2]=4 345 B8R1.7 O=C(Cl)C1=CSN=N1 MCULE-1833003523 [0,0,0,0,1,0|2,0,1]=4 346 B8R1.7 O=C(O)C1=CC=CN1 MCULE-4915329170 [0,0,0,0,1,0|1,0,2]=4 347 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [0,0,0,0,1,0|2,0,0]=3 348 B8R1.7 O=C(O)C1=CCCO1 MCULE-8380391200 [0,0,0,0,1,0|2,0,0]=3 349 B8R1.7 O=C(O)C1=CCCS1 MCULE-9231409703 [0,0,0,0,1,0|2,0,0]=3 350 B8R1.7 O=C(O)C1=CCNC1 MCULE-2391284266 [0,0,0,0,1,0|3,0,0]=4 351 B8R1.7 O=C(O)C1=CCNC1 MCULE-5725335930 [0,0,0,0,1,0|3,0,0]=4 352 B8R1.7 O=C(O)C1=CCOC1 MCULE-3209603870 [0,0,0,0,1,0|3,0,0]=4 353 B8R1.7 O=C(O)C1=CCSC1 MCULE-3187835692 [0,0,0,0,1,0|1,0,2]=4 354 B8R1.7 O=C(O)C1=CN=NN1 MCULE-1013254576 [0,0,0,0,1,0|3,0,0]=4 355 B8R1.7 O=C(O)C1=CN=NN1 MCULE-7639489993 [0,0,0,0,1,0|3,0,0]=4 356 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [0,0,0,0,1,0|1,1,0]=3 357 B8R1.7 O=C(O)C1=CSC=C1 MCULE-7934636767 [0,0,0,0,1,0|1,0,2]=4 358 B8R1.7 O=C(O)C1=CSC=N1 MCULE-6783174927 [0,0,0,0,1,0|1,0,2]=4 359 B8R1.7 O=C(O)C1=CSC=N1 MCULE-8933604600 [0,0,0,0,1,0|1,0,2]=4 360 B8R1.7 O=C(O)C1=CSCS1 MCULE-2399429418 [0,0,0,0,1,0|2,0,0]=3 361 B8R1.7 O=C(O)C1=CSN=C1 MCULE-7435297495 [0,0,0,0,1,0|2,0,1]=4 362 B8R1.7 O=C(O)C1=CSN=N1 MCULE-1656119426 [0,0,0,0,1,0|2,0,1]=4 363 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [0,0,0,0,1,0|1,0,2]=4 364 B8R1.7 O=C(O)C1=NOCC1 MCULE-3126584315 [0,0,0,0,1,0|2,1,0]=4 365 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [0,0,0,0,1,0|2,0,1]=4 366 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [0,0,0,0,1,0|1,0,2]=4 367 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [0,0,0,0,1,0|1,0,2]=4 368 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [0,0,0,0,1,0|1,0,2]=4 369 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [0,0,0,0,1,0|1,0,2]=4 370 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [0,0,0,0,1,0|1,0,2]=4 371 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [0,0,0,0,1,0|1,0,2]=4 372 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [0,0,0,0,1,0|1,0,2]=4 373 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [0,0,0,0,1,0|1,0,2]=4 374 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [0,0,0,0,1,0|2,0,1]=4 375 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [0,0,0,0,1,0|1,0,2]=4 376 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [0,0,0,0,1,0|1,0,2]=4 377 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [0,0,0,0,1,0|1,0,2]=4 378 B8R1.7 O=C(O)C1NCCS1 MCULE-2504435743 [0,0,0,0,1,0|1,0,1]=3 379 B8R1.7 O=C(O)C1SCCS1 MCULE-4466563646 [0,0,0,0,1,0|2,0,1]=4 380 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [0,0,0,0,1,0|1,0,2]=4 381 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [0,0,0,0,1,0|1,0,2]=4 382 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [0,0,0,0,1,0|1,0,2]=4 383 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [0,0,0,0,1,0|1,0,2]=4 384 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [0,0,0,0,1,0|1,0,2]=4 385 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [0,0,0,0,1,0|1,0,2]=4 386 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [0,0,0,0,1,0|1,0,2]=4 387 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [0,0,0,0,1,0|1,0,2]=4 388 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [0,0,0,0,1,0|1,0,2]=4 389 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [0,0,0,0,1,0|1,0,2]=4 390 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [0,0,0,0,1,0|1,0,2]=4 391 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [0,0,0,0,1,0|1,0,2]=4 392 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [0,0,0,0,1,0|1,0,2]=4 393 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [0,0,0,0,1,0|1,0,2]=4 394 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [0,0,0,0,1,0|1,0,2]=4 395 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [0,0,0,0,1,0|1,0,2]=4 396 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [0,0,0,0,1,0|1,0,2]=4 397 B8R1.7 O=C([O-])C1=CSC=N1 MCULE-3576531022 [0,0,0,0,1,0|1,0,2]=4 398 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [0,0,0,0,1,0|1,0,2]=4 399 B8R1.7 O=C([O-])C1CSCN1 MCULE-9836043803 [0,0,0,0,1,0|1,0,2]=4 400 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [0,0,0,0,1,0|1,0,2]=4 401 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [0,0,0,0,1,0|1,0,2]=4 402 B8R1.7 [C@@H]1(CSCN1)C(=O)[O-] MCULE-3895380806 [0,0,0,0,1,0|1,0,2]=4 403 B10R1.18 CC(=O)C=C1CCCCC1 MCULE-8551739363 [0,0,0,0,0,1|2,0,1]=4 404 B10R1.18 CC(=O)CC1=CCCCC1 MCULE-7211325077 [0,0,0,0,0,1|2,0,0]=3 405 B10R1.18 CC(=O)CC1CCCCN1 MCULE-1827771795 [0,0,0,0,0,1|1,0,2]=4 406 B10R1.18 CC(=O)CC1CCCCN1 MCULE-9317294757 [0,0,0,0,0,1|1,0,2]=4 407 B10R1.18 CC(=O)CC1COCCN1 MCULE-5675632157 [0,0,0,0,0,1|0,1,2]=4 408 B10R1.18 CC(=O)CC1COCCN1 MCULE-9995133275 [0,0,0,0,0,1|0,1,2]=4 409 B10R1.18 CC(=O)C[C@H]1CCCCN1 MCULE-2330430389 [0,0,0,0,0,1|1,0,2]=4 410 B10R1.18 CC(=O)OC1C=CCCC1 MCULE-7559627891 [0,0,0,0,0,1|2,0,1]=4 411 B10R1.18 O=C(O)CC1=CCCCC1 MCULE-9909477927 [0,0,0,0,0,1|3,0,0]=4 412 B10R1.348 O=C(O)C1=CCCCCC1 MCULE-5438079704 [0,0,0,0,0,1|3,0,0]=4 413 B10R1.348 O=C(O)C1=CCCOCC1 MCULE-6315041103 [0,0,0,0,0,1|3,0,0]=4 414 B7R0.1 CCCC/C=C/C=O MCULE-1260131686 [1,0,1,0,0,0|2,0,0]=4 415 B7R0.1 CCCCC=CC=O MCULE-6776317009 [1,0,1,0,0,0|2,0,0]=4 416 B7R0.4 C#CCCNC(=O)C MCULE-2003551338 [1,0,1,0,0,0|1,0,1]=4 417 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [1,0,1,0,0,0|2,0,0]=4 418 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [1,0,1,0,0,0|2,0,0]=4 419 B7R0.4 C=CCONC(=O)C MCULE-1401456265 [1,0,1,0,0,0|2,0,0]=4 420 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [1,0,1,0,0,0|1,0,1]=4 421 B7R0.4 CC(=O)NCCC#N MCULE-1781318297 [1,0,1,0,0,0|2,0,0]=4 422 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [1,0,1,0,0,0|2,0,0]=4 423 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [1,0,1,0,0,0|2,0,0]=4 424 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [1,0,1,0,0,0|2,0,0]=4 425 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [1,0,1,0,0,0|1,0,1]=4 426 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [1,0,1,0,0,0|1,0,1]=4 427 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [1,0,1,0,0,0|2,0,0]=4 428 B7R0.4 CC(=O)NCCON MCULE-3703048482 [1,0,1,0,0,0|1,1,0]=4 429 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [1,0,1,0,0,0|2,0,0]=4 430 B7R0.4 CC=CC=CC(=O)C MCULE-1781846029 [1,0,1,0,0,0|1,0,1]=4 431 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [1,0,1,0,0,0|1,0,0]=3 432 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [1,0,1,0,0,0|1,0,0]=3 433 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [1,0,1,0,0,0|2,0,0]=4 434 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [1,0,1,0,0,0|2,0,0]=4 435 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [1,0,1,0,0,0|1,0,1]=4 436 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [1,0,1,0,0,0|1,0,1]=4 437 B7R0.4 CCO/C=C/C(=O)Cl MCULE-5623807124 [1,0,1,0,0,0|1,1,0]=4 438 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [1,0,1,0,0,0|1,1,0]=4 439 B7R0.4 CCOC=CC(=O)Cl MCULE-1242349133 [1,0,1,0,0,0|1,1,0]=4 440 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [1,0,1,0,0,0|1,1,0]=4 441 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [1,0,1,0,0,0|1,0,1]=4 442 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [1,0,1,0,0,0|1,0,1]=4 443 B7R0.4 COCCNC(=O)C MCULE-2794263612 [1,0,1,0,0,0|0,1,1]=4 444 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [1,0,1,0,0,0|0,0,1]=3 445 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [1,0,1,0,0,0|1,0,1]=4 446 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [1,0,1,0,0,0|1,0,1]=4 447 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,0,1,0,0,0|1,0,1]=4 448 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,0,1,0,0,0|1,0,1]=4 449 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [1,0,1,0,0,0|2,0,0]=4 450 B7R0.3 CCO/C=C(/C)\C=O MCULE-3167895853 [1,0,1,0,0,0|1,1,0]=4 451 B7R0.3 CCO/C=C(\C)/C=O MCULE-5904529641 [1,0,1,0,0,0|1,1,0]=4 452 B7R0.3 CCOC=C(C)C=O MCULE-8349392891 [1,0,1,0,0,0|1,1,0]=4 453 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [1,0,1,0,0,0|2,0,0]=4 454 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [1,0,1,0,0,0|1,1,0]=4 455 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [1,0,1,0,0,0|2,0,0]=4 456 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [1,0,1,0,0,0|2,0,0]=4 457 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [1,0,1,0,0,0|2,0,0]=4 458 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [1,0,1,0,0,0|1,0,1]=4 459 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [1,0,1,0,0,0|1,1,0]=4 460 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [1,0,1,0,0,0|1,1,0]=4 461 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [1,0,1,0,0,0|2,0,0]=4 462 B7R1.3 C=C1CCCCN1 MCULE-8375354748 [2,0,0,0,0,0|1,0,1]=4 463 B7R1.3 CC1=CCCC=C1 MCULE-6224653152 [2,0,0,0,0,0|2,0,0]=4 464 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [2,0,0,0,0,0|2,0,0]=4 465 B7R1.3 CC1CSCCN1 MCULE-2923436126 [2,0,0,0,0,0|0,0,2]=4 466 B7R1.3 C[C@@H]1CSCCN1 MCULE-2613889704 [2,0,0,0,0,0|0,0,2]=4 467 B7R1.3 C[C@H]1CSCCN1 MCULE-4076273874 [2,0,0,0,0,0|0,0,2]=4 468 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [2,0,0,0,0,0|2,0,0]=4 469 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [2,0,0,0,0,0|1,0,0]=3 470 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [2,0,0,0,0,0|2,0,0]=4 471 B7R1.3 O=C1C=COCN1 MCULE-7471476237 [2,0,0,0,0,0|2,0,0]=4 472 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [2,0,0,0,0,0|1,0,1]=4 473 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [2,0,0,0,0,0|1,0,1]=4 474 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [2,0,0,0,0,0|1,0,1]=4 475 B7R1.3 O=C1COCCN1 MCULE-8242898041 [2,0,0,0,0,0|0,1,1]=4 476 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [2,0,0,0,0,0|0,0,1]=3 477 B7R1.3 O=C1NCCCN1 MCULE-4876148406 [2,0,0,0,0,0|2,0,0]=4 478 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [2,0,0,0,0,0|2,0,0]=4 479 B9R0.2 CCCCC/C=C/C(=O)C MCULE-4810438787 [0,1,1,0,0,0|2,0,0]=4 480 B9R0.2 CCCCCC=CC(=O)C MCULE-2447853309 [0,1,1,0,0,0|2,0,0]=4 481 B9R0.46 C=CCCNCC(=O)OC MCULE-1793995699 [0,1,1,0,0,0|1,0,1]=4 482 B9R0.46 C=CCCNCC(=O)OC MCULE-4679984261 [0,1,1,0,0,0|1,0,1]=4 483 B9R0.46 CCCCC=CC(=O)OC MCULE-3507079471 [0,1,1,0,0,0|2,0,0]=4 484 B9R0.6 CCOC(=O)C(=O)C(=O)C MCULE-9413993780 [0,1,1,0,0,0|1,1,0]=4 485 B9R0.6 CCOC(=O)C(N)C(=O)C MCULE-2343188401 [0,1,1,0,0,0|0,1,1]=4 486 B9R0.6 CCOC(=O)C(N)C(=O)C MCULE-3236869229 [0,1,1,0,0,0|0,1,1]=4 487 B9R0.8 CNC(=O)C(=O)NCCO MCULE-5696756358 [0,1,1,0,0,0|1,1,0]=4 488 B9R0.29 CSC(=C(C#N)C(=O)C)N MCULE-6356642975 [0,1,1,0,0,0|2,0,0]=4 489 B9R1.2 CC1C=C(CCC1)C=O MCULE-8149754044 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.8 O=CNC1=CCCCC1 MCULE-2003809797 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.15 O=CC1=C(CCCC1)Br MCULE-6173586592 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.15 O=CC1=C(CCCC1)Cl MCULE-7995365701 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.11 CC(=C1SCCS1)C=O MCULE-2836412790 [0,1,0,0,1,0|1,0,0]=3 494 B9R1.11 CCC(=O)C1=CC=CN1 MCULE-8551092494 [0,1,0,0,1,0|0,0,2]=4 495 B9R1.11 CCC(=O)C1=CSC=C1 MCULE-6525890952 [0,1,0,0,1,0|0,0,2]=4 496 B9R1.11 CCC(=O)C1=NCCC1 MCULE-4283707985 [0,1,0,0,1,0|0,0,2]=4 497 B9R1.11 CCC(=O)C1=NCCS1 MCULE-9042053227 [0,1,0,0,1,0|0,0,1]=3 498 B9R1.11 CCC(=O)[C@@H]1CCCN1 MCULE-1661804964 [0,1,0,0,1,0|0,0,2]=4 499 B9R1.11 CCC(=O)[C@@H]1CCCN1 MCULE-8456135152 [0,1,0,0,1,0|0,0,2]=4 500 B9R1.11 CNC(=O)C1=CC=CN1 MCULE-3361185074 [0,1,0,0,1,0|0,0,2]=4 501 B9R1.11 CNC(=O)C1=CN=CN1 MCULE-5759305620 [0,1,0,0,1,0|1,0,1]=4 502 B9R1.11 CNC(=O)C1=CSC=C1 MCULE-1963219302 [0,1,0,0,1,0|0,0,2]=4 503 B9R1.11 CNC(=O)C1CCCN1 MCULE-1783490658 [0,1,0,0,1,0|0,0,2]=4 504 B9R1.11 CNC(=O)C1CCCN1 MCULE-5014608316 [0,1,0,0,1,0|0,0,2]=4 505 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-3668444015 [0,1,0,0,1,0|0,0,2]=4 506 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-7344672390 [0,1,0,0,1,0|0,0,2]=4 507 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-7586915644 [0,1,0,0,1,0|0,0,2]=4 508 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-8093231474 [0,1,0,0,1,0|0,0,2]=4 509 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-9455499550 [0,1,0,0,1,0|0,0,2]=4 510 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-1131638831 [0,1,0,0,1,0|0,0,2]=4 511 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-4056775238 [0,1,0,0,1,0|0,0,2]=4 512 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-4223546600 [0,1,0,0,1,0|0,0,2]=4 513 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-6583071684 [0,1,0,0,1,0|0,0,2]=4 514 B9R1.11 COC(=O)C1=CC=CN1 MCULE-1019290603 [0,1,0,0,1,0|0,0,2]=4 515 B9R1.11 COC(=O)C1=CCCC1 MCULE-3606282792 [0,1,0,0,1,0|1,0,0]=3 516 B9R1.11 COC(=O)C1=CCSC1 MCULE-2255227686 [0,1,0,0,1,0|0,0,2]=4 517 B9R1.11 COC(=O)C1=CN=CN1 MCULE-3275771291 [0,1,0,0,1,0|1,0,1]=4 518 B9R1.11 COC(=O)C1=CN=CN1 MCULE-8084262259 [0,1,0,0,1,0|1,0,1]=4 519 B9R1.11 COC(=O)C1=COCC1 MCULE-7180516511 [0,1,0,0,1,0|0,1,0]=3 520 B9R1.11 COC(=O)C1=CSC=C1 MCULE-3297346362 [0,1,0,0,1,0|0,0,2]=4 521 B9R1.11 COC(=O)C1=CSC=N1 MCULE-4849990142 [0,1,0,0,1,0|0,0,2]=4 522 B9R1.11 COC(=O)C1=CSN=C1 MCULE-7173282244 [0,1,0,0,1,0|1,0,1]=4 523 B9R1.11 COC(=O)C1=CSN=N1 MCULE-2896926048 [0,1,0,0,1,0|1,0,1]=4 524 B9R1.11 COC(=O)C1C=CCN1 MCULE-5230080312 [0,1,0,0,1,0|0,0,2]=4 525 B9R1.11 COC(=O)C1C=CCN1 MCULE-8144796741 [0,1,0,0,1,0|0,0,2]=4 526 B9R1.11 COC(=O)C1CCCN1 MCULE-3132842932 [0,1,0,0,1,0|0,0,2]=4 527 B9R1.11 COC(=O)C1CCCN1 MCULE-5268897425 [0,1,0,0,1,0|0,0,2]=4 528 B9R1.11 COC(=O)C1CCCN1 MCULE-6168730709 [0,1,0,0,1,0|0,0,2]=4 529 B9R1.11 COC(=O)C1CCCN1 MCULE-8316785654 [0,1,0,0,1,0|0,0,2]=4 530 B9R1.11 COC(=O)C1CCCS1 MCULE-8875125328 [0,1,0,0,1,0|1,0,1]=4 531 B9R1.11 COC(=O)C1CSCN1 MCULE-5351052142 [0,1,0,0,1,0|0,0,2]=4 532 B9R1.11 COC(=O)C1CSCN1 MCULE-9093296447 [0,1,0,0,1,0|0,0,2]=4 533 B9R1.11 COC(=O)C1NCCS1 MCULE-8142325663 [0,1,0,0,1,0|0,0,1]=3 534 B9R1.11 COC(=O)C1[NH2+]CCS1 MCULE-5863059145 [0,1,0,0,1,0|0,0,2]=4 535 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-1869723316 [0,1,0,0,1,0|0,0,2]=4 536 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-5370163237 [0,1,0,0,1,0|0,0,2]=4 537 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-5818736163 [0,1,0,0,1,0|0,0,2]=4 538 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-7249261083 [0,1,0,0,1,0|0,0,2]=4 539 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-1981658590 [0,1,0,0,1,0|0,0,2]=4 540 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-6907716746 [0,1,0,0,1,0|0,0,2]=4 541 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-8031793722 [0,1,0,0,1,0|0,0,2]=4 542 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-9787777328 [0,1,0,0,1,0|0,0,2]=4 543 B9R1.11 COC(=O)[C@@H]1CSCN1 MCULE-5459284567 [0,1,0,0,1,0|0,0,2]=4 544 B9R1.11 COC(=O)[C@@H]1CSCN1 MCULE-6009801924 [0,1,0,0,1,0|0,0,2]=4 545 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-1925865650 [0,1,0,0,1,0|0,0,2]=4 546 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-3950222089 [0,1,0,0,1,0|0,0,2]=4 547 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-4251030243 [0,1,0,0,1,0|0,0,2]=4 548 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-8974101732 [0,1,0,0,1,0|0,0,2]=4 549 B9R1.11 CSC(=O)C1=CSC=N1 MCULE-2871571960 [0,1,0,0,1,0|0,0,2]=4 550 B9R1.11 NCC(=O)C1=CC=CN1 MCULE-1231860671 [0,1,0,0,1,0|0,0,2]=4 551 B9R1.11 NCC(=O)C1=CC=NN1 MCULE-9171044425 [0,1,0,0,1,0|1,0,1]=4 552 B9R1.11 NCC(=O)C1=CSC=C1 MCULE-1136870027 [0,1,0,0,1,0|0,0,2]=4 553 B9R1.11 NCC(=O)C1=CSC=C1 MCULE-8519816800 [0,1,0,0,1,0|0,0,2]=4 554 B9R1.11 O=C(CBr)C1=CC=CN1 MCULE-9732729818 [0,1,0,0,1,0|0,0,2]=4 555 B9R1.11 O=C(CBr)C1=CSC=C1 MCULE-5717303436 [0,1,0,0,1,0|0,0,2]=4 556 B9R1.11 O=C(CBr)C1=CSC=N1 MCULE-3162018433 [0,1,0,0,1,0|0,0,2]=4 557 B9R1.11 O=C(CBr)C1=CSC=N1 MCULE-6442528269 [0,1,0,0,1,0|0,0,2]=4 558 B9R1.11 O=C(CCl)C1=CC=CN1 MCULE-6538013100 [0,1,0,0,1,0|0,0,2]=4 559 B9R1.11 O=C(CCl)C1=CSC=N1 MCULE-2665599072 [0,1,0,0,1,0|0,0,2]=4 560 B9R1.11 O=C(CCl)C1CCCN1 MCULE-3650713124 [0,1,0,0,1,0|0,0,2]=4 561 B9R1.11 O=C(NO)C1=CCCC1 MCULE-3789818826 [0,1,0,0,1,0|2,0,0]=4 562 B9R1.35 CC(=O)C1=CC(=CN1)Br MCULE-1136298079 [0,1,0,0,1,0|0,0,2]=4 563 B9R1.35 CC(=O)C1=CC(=CN1)I MCULE-9825256917 [0,1,0,0,1,0|0,0,2]=4 564 B9R1.35 CC(=O)C1=CC(=NN1)C MCULE-1737620160 [0,1,0,0,1,0|1,0,1]=4 565 B9R1.35 CC(=O)C1=CC(=NN1)N MCULE-7916886776 [0,1,0,0,1,0|1,0,1]=4 566 B9R1.35 CC(=O)C1=CC(=NN1)N MCULE-9458933053 [0,1,0,0,1,0|1,0,1]=4 567 B9R1.35 CC(=O)C1=CC=C(N1)Br MCULE-2511935315 [0,1,0,0,1,0|0,0,2]=4 568 B9R1.35 CC(=O)C1=CC=C(N1)C MCULE-3720570668 [0,1,0,0,1,0|0,0,2]=4 569 B9R1.35 CC(=O)C1=CN=C(N1)C MCULE-1404378441 [0,1,0,0,1,0|1,0,1]=4 570 B9R1.35 CC(=O)C1=CN=C(N1)N MCULE-4678587309 [0,1,0,0,1,0|1,0,1]=4 571 B9R1.35 CC(=O)C1=CSC(=C1)Br MCULE-5063599096 [0,1,0,0,1,0|0,0,2]=4 572 B9R1.35 CC(=O)C1=CSC(=C1)C MCULE-3547711889 [0,1,0,0,1,0|0,0,2]=4 573 B9R1.35 CC(=O)C1=CSC(=C1)Cl MCULE-8295872194 [0,1,0,0,1,0|0,0,2]=4 574 B9R1.35 CC(=O)C1=CSC(=N1)Br MCULE-2830943912 [0,1,0,0,1,0|0,0,2]=4 575 B9R1.35 CC(=O)C1=CSC(=N1)C MCULE-2707912927 [0,1,0,0,1,0|0,0,2]=4 576 B9R1.35 CC(=O)C1=CSC(=N1)N MCULE-5964145121 [0,1,0,0,1,0|0,0,2]=4 577 B9R1.35 CC(=O)C1=CSC(=N1)N MCULE-6145357009 [0,1,0,0,1,0|0,0,2]=4 578 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-7944190057 [0,1,0,0,1,0|2,0,0]=4 579 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-9202589777 [0,1,0,0,1,0|2,0,0]=4 580 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [0,1,0,0,1,0|2,0,0]=4 581 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [0,1,0,0,1,0|2,0,0]=4 582 B9R1.35 O=C1NC(=CS1)C(=O)O MCULE-6848220699 [0,1,0,0,1,0|1,0,1]=4 583 B9R1.41 CC(=O)C1=C(C=NN1)Br MCULE-7187574966 [0,1,0,0,1,0|1,0,1]=4 584 B9R1.41 CC(=O)C1=C(CCC1)C MCULE-9433038766 [0,1,0,0,1,0|1,0,0]=3 585 B9R1.41 CC(=O)C1=C(OCC1)C MCULE-6549980198 [0,1,0,0,1,0|0,1,0]=3 586 B9R1.41 CC(=O)C1=C(SC=C1)Br MCULE-1124146254 [0,1,0,0,1,0|0,0,2]=4 587 B9R1.41 CC(=O)C1=C(SC=C1)N MCULE-9310559168 [0,1,0,0,1,0|0,0,2]=4 588 B9R1.41 CC(=O)C1=C(SC=N1)C MCULE-5308658101 [0,1,0,0,1,0|0,0,2]=4 589 B9R1.41 CC(=O)C1=CC=CN1C MCULE-2872976165 [0,1,0,0,1,0|0,0,2]=4 590 B9R1.41 CC(=O)C1=CC=NN1C MCULE-1996404405 [0,1,0,0,1,0|1,0,1]=4 591 B9R1.41 CC(=O)C1=CN=CN1C MCULE-3076045100 [0,1,0,0,1,0|1,0,1]=4 592 B9R1.41 CC(=O)C1=CN=CN1C MCULE-3949595611 [0,1,0,0,1,0|1,0,1]=4 593 B9R1.41 CC(=O)C1=CN=NN1C MCULE-3249424842 [0,1,0,0,1,0|2,0,0]=4 594 B9R1.41 CC(=O)C1=CSC=C1Br MCULE-1924395169 [0,1,0,0,1,0|0,0,2]=4 595 B9R1.41 CC(=O)C1=CSC=C1Cl MCULE-6961495608 [0,1,0,0,1,0|0,0,2]=4 596 B9R1.41 CC(=O)C1=CSN=C1C MCULE-6479512660 [0,1,0,0,1,0|1,0,1]=4 597 B9R1.41 CC(=O)C1CCCC1=O MCULE-8152440536 [0,1,0,0,1,0|1,0,1]=4 598 B9R1.41 CC(=O)C1CCOC1=O MCULE-4236075888 [0,1,0,0,1,0|0,1,1]=4 599 B9R1.41 CC(=O)N1CCCC1=O MCULE-3328735907 [0,1,0,0,1,0|2,0,0]=4 600 B9R1.41 CC(=O)N1CCNC1=O MCULE-9582889409 [0,1,0,0,1,0|2,0,0]=4 601 B9R1.41 CC(=O)N1CCNC1=S MCULE-6634615380 [0,1,0,0,1,0|2,0,0]=4 602 B9R1.41 CC(=O)N1CCOC1=O MCULE-6944210144 [0,1,0,0,1,0|1,1,0]=4 603 B9R1.41 CC(=O)N1CCSC1=S MCULE-1158936764 [0,1,0,0,1,0|1,0,0]=3 604 B9R1.41 CC1=C(CCC1)C(=O)O MCULE-4166872703 [0,1,0,0,1,0|2,0,0]=4 605 B9R1.41 CC1=C(CCO1)C(=O)O MCULE-2847123201 [0,1,0,0,1,0|1,1,0]=4 606 B9R1.41 NC(=O)C1=C(SCC1)N MCULE-1189159246 [0,1,0,0,1,0|1,0,0]=3 607 B9R1.41 NC1=C(CCC1)C(=O)O MCULE-9287668193 [0,1,0,0,1,0|2,0,0]=4 608 B9R1.41 O=C(O)C1=C(CCC1)Cl MCULE-4349801654 [0,1,0,0,1,0|2,0,0]=4 609 B9R1.163 CC1(NCCS1)C(=O)O MCULE-3303237869 [0,1,0,0,1,0|1,0,1]=4 610 B11R1.40 COC(=O)C=C1CCCCN1 MCULE-1404515648 [0,1,0,0,0,1|1,0,1]=4 611 B11R1.40 COC(=O)CC1CSCCN1 MCULE-7040890936 [0,1,0,0,0,1|0,0,2]=4 612 B11R1.40 COC(=O)CC1CSCCN1 MCULE-8950718671 [0,1,0,0,0,1|0,0,2]=4 613 B11R1.86 CC(=O)C=C1NCCNC1=O MCULE-5474458643 [0,1,0,0,0,1|1,0,0]=3 614 B11R1.157 CC(=O)OC1=CC(=O)CCC1 MCULE-8679821609 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.852 COC(=O)C1CNCCSC1 MCULE-9024750063 [0,1,0,0,0,1|0,0,2]=4 616 B11R1.16 CCOC(=O)C1=CNCCC1 MCULE-9071812580 [0,2,0,0,0,0|2,0,0]=4 617 B11R1.16 CCOC(=O)C1=CNCCS1 MCULE-6640913067 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.16 CCOC(=O)C1=COCCC1 MCULE-8401522266 [0,2,0,0,0,0|1,1,0]=4 619 B11R1.16 CCOC(=O)C1CSCCN1 MCULE-5092594438 [0,2,0,0,0,0|0,0,2]=4 620 B11R1.16 CCOC(=O)C1CSCCN1 MCULE-5956138488 [0,2,0,0,0,0|0,0,2]=4 621 B11R1.23 COC(=O)C1=CC(=O)CCC1 MCULE-9379833788 [0,2,0,0,0,0|2,0,0]=4 622 B11R1.222 COC(=O)C1=C(CCCC1)Br MCULE-1869430167 [0,2,0,0,0,0|2,0,0]=4 623 B11R1.222 COC(=O)C1=C(CCCC1)N MCULE-3139693144 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.222 COC(=O)C1NCCNC1=O MCULE-5227226268 [0,2,0,0,0,0|1,0,1]=4 625 B11R1.222 COC(=O)C1NCCNC1=O MCULE-5997128624 [0,2,0,0,0,0|1,0,1]=4 626 B9R1.7 CC1=CC=C(O1)CCN MCULE-2830485223 [0,0,1,1,0,0|1,0,1]=4 627 B9R1.7 CC1=CC=C(S1)CCN MCULE-7834009549 [0,0,1,1,0,0|1,1,0]=4 628 B9R1.7 CC1=CC=C(S1)CCN MCULE-8638054152 [0,0,1,1,0,0|1,1,0]=4 629 B9R1.7 CC1=NN(C=C1)CCN MCULE-3129888394 [0,0,1,1,0,0|2,0,0]=4 630 B9R1.7 CC1=NN(C=C1)CCN MCULE-7184338143 [0,0,1,1,0,0|2,0,0]=4 631 B9R1.13 CC(=O)C=C1CCCC1 MCULE-1647139252 [0,0,1,1,0,0|2,0,0]=4 632 B9R1.13 O=N(=O)/C=C/1\NCCS1 MCULE-4658064666 [0,0,1,1,0,0|2,0,0]=4 633 B9R1.13 O=[N+]([O-])C=C1NCCS1 MCULE-3763869661 [0,0,1,1,0,0|2,0,0]=4 634 B9R1.50 O=C1C=CCCCCC1 MCULE-8923461119 [0,0,1,1,0,0|2,0,0]=4 635 B9R1.23 CCN1C=C(C(=N1)C)N MCULE-6890335526 [0,0,1,1,0,0|2,0,0]=4 636 B9R1.23 CCN1C=C(C(=N1)C)N MCULE-7408664902 [0,0,1,1,0,0|2,0,0]=4 637 B9R1.23 CCN1C=C(C(=N1)C)N MCULE-9827234256 [0,0,1,1,0,0|2,0,0]=4 638 B9R2.7 O=C1CC2C1C=CC2 MCULE-3852880142 [0,0,0,1,1,0|1,0,1]=4 639 B9R2.7 O=C1CC2C1NCC2 MCULE-5565431334 [0,0,0,1,1,0|0,0,2]=4 640 B9R2.7 O=C1CC2C1NCC2 MCULE-8877801710 [0,0,0,1,1,0|0,0,2]=4 641 B9R2.39 O=C1CC2C=CC1C2 MCULE-9956317855 [0,0,0,1,1,0|1,0,1]=4 642 B9R2.39 O=C1CC2CCC1N2 MCULE-2060564396 [0,0,0,1,1,0|0,0,2]=4 643 B9R2.39 O=C1CC2CCC1N2 MCULE-3298355504 [0,0,0,1,1,0|0,0,2]=4 644 B9R2.39 O=C1CC2CNC1C2 MCULE-1302527504 [0,0,0,1,1,0|0,0,2]=4 645 B9R2.39 O=C1CC2CNC1C2 MCULE-3367580397 [0,0,0,1,1,0|0,0,2]=4 646 B11R2.10 O=C1SC2=C(S1)SCCS2 MCULE-5454954065 [0,0,0,1,0,1|2,0,0]=4 647 B11R2.678 O=C1CC2CSCC(C1)N2 MCULE-3264688264 [0,0,0,1,0,1|0,0,2]=4 648 B11R2.678 O=C1CC2CSCC(C1)N2 MCULE-4967080128 [0,0,0,1,0,1|0,0,2]=4 649 B11R2.678 O=C1C[C@H]2CSC[C@@H](C1)N2 MCULE-7015091870 [0,0,0,1,0,1|0,0,2]=4 650 B11R2.678 O=C1C[C@H]2CSC[C@@H](C1)N2 MCULE-8128064550 [0,0,0,1,0,1|0,0,2]=4 651 B11R2.1 CC1=NNC2=C1NCCC2 MCULE-9057659860 [0,1,0,1,0,0|2,0,0]=4 652 B11R2.1 O=C1CCC2=C1CCCC2 MCULE-1175519180 [0,1,0,1,0,0|2,0,0]=4 653 B11R2.1 O=C1OCC2=C1CCCN2 MCULE-1356191286 [0,1,0,1,0,0|2,0,0]=4 654 B11R2.54 O=C1C(=O)C2=C1NCCN2 MCULE-4365614972 [0,1,0,1,0,0|1,0,1]=4 655 B7R1.1 CC=C1CCCC1 MCULE-9763131004 [1,0,0,0,1,0|1,0,1]=4 656 B7R1.1 CC=C1CCNC1 MCULE-9077980338 [1,0,0,0,1,0|1,0,1]=4 657 B7R1.1 CC=C1CCNC1 MCULE-9519724391 [1,0,0,0,1,0|1,0,1]=4 658 B7R1.1 CCC1=CCCC1 MCULE-5154730597 [1,0,0,0,1,0|1,0,1]=4 659 B7R1.1 CCC1=NCCN1 MCULE-4105881010 [1,0,0,0,1,0|1,0,1]=4 660 B7R1.1 CNC1=NCCN1 MCULE-8411755728 [1,0,0,0,1,0|2,0,0]=4 661 B7R1.1 CNC1=NCCN1 MCULE-9337116685 [1,0,0,0,1,0|2,0,0]=4 662 B7R1.1 COC1=CCCC1 MCULE-6260649761 [1,0,0,0,1,0|2,0,0]=4 663 B7R1.1 COC1=CCCN1 MCULE-6283476666 [1,0,0,0,1,0|1,0,0]=3 664 B7R1.1 COC1=NCCN1 MCULE-4640802770 [1,0,0,0,1,0|2,0,0]=4 665 B7R1.1 CSC1=NCCN1 MCULE-2508776031 [1,0,0,0,1,0|2,0,0]=4 666 B7R1.1 CSC1=NCCN1 MCULE-3552473411 [1,0,0,0,1,0|2,0,0]=4 667 B7R1.1 CSC1=NCCN1 MCULE-6313819915 [1,0,0,0,1,0|2,0,0]=4 668 B7R1.1 CSC1=NCCS1 MCULE-1809491558 [1,0,0,0,1,0|1,0,1]=4 669 B7R1.1 CSC1=NCCS1 MCULE-6651129000 [1,0,0,0,1,0|1,0,1]=4 670 B7R1.1 O=CC1=CC=CN1 MCULE-4586543663 [1,0,0,0,1,0|0,0,2]=4 671 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [1,0,0,0,1,0|1,0,0]=3 672 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [1,0,0,0,1,0|1,0,0]=3 673 B7R1.1 O=CC1=CCSC1 MCULE-9591036145 [1,0,0,0,1,0|0,0,2]=4 674 B7R1.1 O=CC1=CN=CN1 MCULE-5099904928 [1,0,0,0,1,0|1,0,1]=4 675 B7R1.1 O=CC1=CSC=C1 MCULE-4096224591 [1,0,0,0,1,0|0,0,2]=4 676 B7R1.1 O=CC1=CSC=N1 MCULE-9225156161 [1,0,0,0,1,0|0,0,2]=4 677 B7R1.1 O=CC1=CSN=C1 MCULE-8193875899 [1,0,0,0,1,0|1,0,1]=4 678 B7R1.1 O=CC1=CSN=N1 MCULE-1939480478 [1,0,0,0,1,0|1,0,1]=4 679 B7R1.1 O=CC1CCSC1 MCULE-1282848613 [1,0,0,0,1,0|0,0,2]=4 680 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,0,0,0,2,0|1,0,1]=4 681 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [0,0,0,0,2,0|0,0,2]=4 682 B7R1.18 CC(=O)N1C=CC1 MCULE-4207230175 [0,0,0,0,2,0|1,0,1]=4 683 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [0,0,0,0,2,0|1,0,1]=4 684 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,0,0,0,2,0|1,0,1]=4 685 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,0,0,0,2,0|1,0,1]=4 686 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,0,0,0,2,0|1,0,1]=4 687 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,0,0,0,2,0|1,0,0]=3 688 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,0,0,0,2,0|1,0,1]=4 689 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,0,0,0,2,0|1,0,1]=4 690 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,0,0,0,2,0|1,0,1]=4 691 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,0,0,0,2,0|1,0,1]=4 692 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,0,0,0,2,0|1,0,1]=4 693 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,0,0,0,2,0|1,0,1]=4 694 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,0,0,0,2,0|1,0,1]=4 695 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,0,0,0,2,0|1,0,1]=4 696 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,0,0,0,2,0|1,0,1]=4 697 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,0,0,0,2,0|1,0,1]=4 698 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,0,0,0,2,0|1,0,1]=4 699 B9R1.89 O=CC1=CCCCCC1 MCULE-8414068028 [1,0,0,0,0,1|2,0,0]=4