0 B16R3.2637 Cc1ccc-2c(c1)Cc3ccccc32 Amb8480425 [1,0,0,0,0,0|3,0,0]=4 1 B16R3.2637 Nc1cnc2c(c1)sc3ccccc32 Amb27962418 [1,0,0,0,0,0|3,0,0]=4 2 B16R3.3329 Clc1ncnc-2c1Cc3ccccc32 Amb24350575 [1,0,0,0,0,0|2,0,1]=4 3 B16R3.3329 Clc1ncnc2c1oc3ccccc32 Amb1104673 [1,0,0,0,0,0|2,0,1]=4 4 B16R3.3329 Clc1ncnc2c1sc3ccccc32 Amb2608938 [1,0,0,0,0,0|2,0,1]=4 5 B16R3.3329 Nc1ccnc-2c1Cc3ccccc32 Amb4059218 [1,0,0,0,0,0|3,0,0]=4 6 B16R3.3329 Nc1ncnc-2c1Cc3ccccc32 Amb27747198 [1,0,0,0,0,0|2,0,1]=4 7 B16R3.3329 O=C1C=CNc2c1oc3ccccc23 Amb27746901 [1,0,0,0,0,0|2,0,1]=4 8 B16R3.3329 O=C1NC=Cc2c1cc3ccccn23 Amb27186100 [1,0,0,0,0,0|3,0,0]=4 9 B16R3.3329 O=C1NC=Cc2c1oc3ccccc23 Amb27413604 [1,0,0,0,0,0|2,0,0]=3 10 B16R3.3329 O=C1NC=Cn2c1cc3ccccc32 Amb27849698 [1,0,0,0,0,0|3,0,0]=4 11 B16R3.3329 O=C1NC=Nc2c1nc3ccccn23 Amb18631766 [1,0,0,0,0,0|1,0,1]=3 12 B16R3.3329 O=C1NC=Nc2c1oc3ccccc23 Amb18532464 [1,0,0,0,0,0|1,0,0]=2 13 B16R3.3329 O=C1NC=Nc2c1sc3ccccc23 Amb19747148 [1,0,0,0,0,0|1,0,0]=2 14 B16R3.3329 O=C1NC=Nc2c1sc3ncccc23 Amb19667268 [1,0,0,0,0,0|2,0,0]=3 15 B16R3.3329 O=C1NC=Nc2c1sc3nnccc23 Amb21948139 [1,0,0,0,0,0|3,0,0]=4 16 B16R3.3329 O=C1NCCC2=C1Cc3ccccc32 Amb26979858 [1,0,0,0,0,0|2,0,1]=4 17 B16R3.3329 O=C1NN=Cc2c1oc3ccccc23 Amb20239403 [1,0,0,0,0,0|3,0,0]=4 18 B16R3.3329 O=C1NN=Nc2c1sc3ncccc23 Amb27478450 [1,0,0,0,0,0|3,0,0]=4 19 B16R3.3329 O=C1NNC=C2C1=Nc3ccccc32 Amb26873539 [1,0,0,0,0,0|2,0,1]=4 20 B16R3.3329 O=c1ncnc2c1nc3ccccc32 Amb1035463 [1,0,0,0,0,0|0,0,2]=3 21 B16R3.3329 OC1NC=Nc2c1sc3ccccc23 Amb24277085 [1,0,0,0,0,0|1,0,2]=4 22 B16R3.3329 S=C1NC=Nc2c1oc3ccccc23 Amb18532465 [1,0,0,0,0,0|1,1,0]=3 23 B16R3.3329 Sc1ncnc2c1sc3ccccc32 Amb20412758 [1,0,0,0,0,0|1,1,1]=4 24 B18R3.85684 CN1C(=O)c2oc3ccccc3c2NC1=S Amb19849208 [0,1,0,0,0,0|1,0,1]=3 25 B16R2.35 CN1C=CN=C(Nc2ccncc2)C1=O Amb33612413 [0,0,1,0,0,0|3,0,0]=4 26 B16R2.35 Cc1cccc(Nc2ccccc2)c1C Amb24103885 [0,0,1,0,0,0|3,0,0]=4 27 B16R2.311 CN1C=NC(c2ccccn2)=C(Br)C1=O Amb32649594 [0,0,1,0,0,0|2,0,0]=3 28 B16R2.311 CN1C=NC(c2cccnc2)=C(Br)C1=O Amb32649589 [0,0,1,0,0,0|2,0,0]=3 29 B16R2.311 CN1C=NC(c2ccncc2)=C(Br)C1=O Amb32649596 [0,0,1,0,0,0|2,0,0]=3 30 B16R2.3269 Cc1ccc(-c2ccccc2N)cc1C Amb17321167 [0,0,1,0,0,0|3,0,0]=4 31 B16R2.3269 Cc1ccc(-c2ccccc2N)cc1C Amb2687505 [0,0,1,0,0,0|3,0,0]=4 32 B16R2.3355 CN(C)C(=O)c1sc2ccccc2c1Cl Amb2638766 [0,0,1,0,0,0|2,0,1]=4 33 B16R3.26868 Cn1nc-2c(c1O)Cc3ccccc32 Amb27872472 [0,0,0,0,1,0|1,0,1]=3 34 B18R3.52071 NN1C=Nc2cc3ccccc3cc2C1=O Amb18131259 [0,0,0,0,0,1|2,0,0]=3 35 B15R2.6 CN(C)\C=N\c1csc2ccccc12 Amb27880871 [1,0,1,0,0,0|1,0,1]=4 36 B15R2.31 Brc1cncc(Nc2ccccc2)c1 Amb28323079 [1,0,1,0,0,0|2,0,0]=4 37 B15R2.31 Cc1cccc(Nc2ccccc2)c1 Amb1649099 [1,0,1,0,0,0|2,0,0]=4 38 B15R2.31 Cc1cncc(Nc2ccccc2)n1 Amb28123169 [1,0,1,0,0,0|2,0,0]=4 39 B15R2.31 Cc1cncc(Oc2ccccc2)c1 Amb28192451 [1,0,1,0,0,0|2,0,0]=4 40 B15R2.38 Nc1ccncc1Nc2ccccc2 Amb17933171 [1,0,1,0,0,0|2,0,0]=4 41 B15R2.38 O=C1NC=NC=C1Cc2ccccc2 Amb26064275 [1,0,1,0,0,0|1,0,0]=3 42 B15R2.38 O=C1NC=NC=C1Cc2cccnc2 Amb27465531 [1,0,1,0,0,0|2,0,0]=4 43 B15R2.1435 CCC\N=C1\C(=O)Nc2ccccc21 Amb27635026 [1,0,1,0,0,0|1,0,1]=4 44 B15R2.32 CC1=C(c2ccccn2)N=CNC1=O Amb27971653 [1,0,1,0,0,0|2,0,0]=4 45 B15R2.32 Cc1ncnc(-c2ccccc2)c1N Amb18137681 [1,0,1,0,0,0|1,0,1]=4 46 B15R2.32 Nc1c(Cl)ccnc1-c2ccccc2 Amb22496153 [1,0,1,0,0,0|2,0,0]=4 47 B15R2.32 Nc1c(I)ccnc1-c2ccccc2 Amb25981120 [1,0,1,0,0,0|2,0,0]=4 48 B15R2.32 Nc1ccnc(-c2ccccc2)c1N Amb25279352 [1,0,1,0,0,0|2,0,0]=4 49 B15R2.32 O=C1NC=NC(c2ccccc2)=C1Br Amb18701036 [1,0,1,0,0,0|1,0,0]=3 50 B15R2.32 O=C1NC=NC(c2ccncc2)=C1I Amb23557634 [1,0,1,0,0,0|2,0,0]=4 51 B15R2.94 CN1C=CC(c2ccccc2)=CC1=S Amb25969499 [1,0,1,0,0,0|1,1,0]=4 52 B15R2.94 CN1C=NC(c2ccccc2)=CC1=O Amb21939798 [1,0,1,0,0,0|0,0,0]=2 53 B15R2.94 CN1C=NC(c2ccccc2)=CC1=S Amb22359497 [1,0,1,0,0,0|0,1,0]=3 54 B15R2.94 Cc1cnc(-c2ccccc2)cc1C Amb20248638 [1,0,1,0,0,0|2,0,0]=4 55 B15R2.94 Cc1cnc(-c2ccccc2)cc1F Amb27634351 [1,0,1,0,0,0|2,0,0]=4 56 B15R2.94 Cc1cnc(-c2ccccc2)cc1I Amb27844715 [1,0,1,0,0,0|2,0,0]=4 57 B15R2.94 Cc1cnc(-c2ccccc2)cc1N Amb24637881 [1,0,1,0,0,0|2,0,0]=4 58 B15R2.94 Cc1cnc(-c2ccccc2)cc1O Amb27634087 [1,0,1,0,0,0|1,0,1]=4 59 B15R2.94 Cn1ccc(-c2ccncc2)cc1=O Amb5719073 [1,0,1,0,0,0|2,0,0]=4 60 B15R2.94 [2H]c1cc(-c2ccccc2)nc[n+]1C Amb2609739 [1,0,1,0,0,0|1,0,1]=4 61 B15R2.389 Cc1ccc(-c2ccccc2)c(N)c1 Amb18129274 [1,0,1,0,0,0|2,0,0]=4 62 B15R2.389 Cc1cnc(-c2ccccc2)c(C)c1 Amb27410137 [1,0,1,0,0,0|2,0,0]=4 63 B15R2.389 Cc1cnc(-c2ccccc2)c(Cl)c1 Amb25788228 [1,0,1,0,0,0|2,0,0]=4 64 B15R2.389 Cc1cnc(-c2ccccc2)c(F)c1 Amb26430985 [1,0,1,0,0,0|2,0,0]=4 65 B15R2.389 Cc1cnc(-c2ccccc2)c(O)c1 Amb26542145 [1,0,1,0,0,0|2,0,0]=4 66 B15R2.389 Cc1cnc(-c2ccccn2)c(N)c1 Amb27877392 [1,0,1,0,0,0|2,0,0]=4 67 B15R2.389 Cc1cnc(-c2cccnc2)c(N)c1 Amb27483161 [1,0,1,0,0,0|2,0,0]=4 68 B15R2.389 Cc1cnc(-c2ccncc2)c(N)c1 Amb27459276 [1,0,1,0,0,0|2,0,0]=4 69 B15R2.389 Nc1cc(Br)cnc1-c2ccccc2 Amb28187073 [1,0,1,0,0,0|2,0,0]=4 70 B15R2.389 Nc1cc(Cl)cnc1-c2ccccc2 Amb27476390 [1,0,1,0,0,0|2,0,0]=4 71 B15R2.389 Nc1cc(F)cnc1-c2ccccc2 Amb28194898 [1,0,1,0,0,0|2,0,0]=4 72 B15R2.4244 CN(C)C(=O)c1cc2ccccc2s1 Amb8243924 [1,0,1,0,0,0|1,0,1]=4 73 B15R2.308 Cc1ccc(-c2ccccc2F)nc1 Amb27449722 [1,0,1,0,0,0|2,0,0]=4 74 B15R2.308 Cc1ccc(-c2ccccc2N)cc1 Amb1056174 [1,0,1,0,0,0|2,0,0]=4 75 B15R2.308 Nc1ccc(-c2ccccc2N)nc1 Amb24320387 [1,0,1,0,0,0|2,0,0]=4 76 B15R2.308 Nc1ccccc1-c2ccc(Br)cn2 Amb24320386 [1,0,1,0,0,0|2,0,0]=4 77 B15R2.332 Cc1cc(-c2ccccc2N)ncn1 Amb18064221 [1,0,1,0,0,0|1,0,1]=4 78 B15R2.332 Cc1ccccc1C2=CC(=S)NC=N2 Amb27221813 [1,0,1,0,0,0|1,1,0]=4 79 B15R2.332 Cc1ccncc1C2=CC(=O)NC=N2 Amb28363626 [1,0,1,0,0,0|2,0,0]=4 80 B15R2.332 Fc1ccccc1C2=CC(=S)NC=N2 Amb27601468 [1,0,1,0,0,0|1,1,0]=4 81 B15R2.332 Nc1ccccc1-c2cc(Br)ccn2 Amb24320409 [1,0,1,0,0,0|2,0,0]=4 82 B15R2.332 Nc1ccccc1-c2cc(F)ccn2 Amb24319218 [1,0,1,0,0,0|2,0,0]=4 83 B15R2.332 Nc1ccccc1-c2cc(O)ncn2 Amb18863212 [1,0,1,0,0,0|0,0,2]=4 84 B15R2.332 Nc1ccnc(-c2ccccc2N)c1 Amb24320410 [1,0,1,0,0,0|2,0,0]=4 85 B15R2.332 O=C1C=C(c2ccccc2Cl)N=CN1 Amb28289142 [1,0,1,0,0,0|1,0,0]=3 86 B15R2.629 CN(C)\C=C1\Nc2ccccc2C1=O Amb731148 [1,0,1,0,0,0|1,0,1]=4 87 B15R2.1592 CNC(=O)C1=C(C)c2ccccc2C1 Amb24753169 [1,0,1,0,0,0|1,0,1]=4 88 B15R2.1592 CNC(=O)N1Nc2ccccc2C1=O Amb28073046 [1,0,1,0,0,0|2,0,0]=4 89 B15R2.1592 CNC(=O)c1sc2ccccc2c1C Amb9163778 [1,0,1,0,0,0|1,0,1]=4 90 B15R2.1592 CNC(=O)c1sc2ccccc2c1Cl Amb1571403 [1,0,1,0,0,0|2,0,0]=4 91 B15R3.3 c1ccc-2c(c1)Cc3cccnc32 Amb1056107 [2,0,0,0,0,0|2,0,0]=4 92 B15R3.3 c1ccc-2c(c1)Cc3cncnc32 Amb27862405 [2,0,0,0,0,0|1,0,1]=4 93 B15R3.3 c1ccc2c(c1)oc3cccnc32 Amb27165193 [2,0,0,0,0,0|2,0,0]=4 94 B17R2.5357 CN1C=CC(Br)=C(Cc2ccccc2)C1=O Amb33483748 [0,1,1,0,0,0|2,0,0]=4 95 B17R2.1948 CCN1C=NC(c2ccccn2)=C(Br)C1=O Amb32649491 [0,1,1,0,0,0|2,0,0]=4 96 B17R2.1948 CCN1C=NC(c2cccnc2)=C(Br)C1=O Amb32649447 [0,1,1,0,0,0|2,0,0]=4 97 B17R2.1948 CCN1C=NC(c2ccncc2)=C(Br)C1=O Amb32649493 [0,1,1,0,0,0|2,0,0]=4 98 B17R2.17509 CN1C=CC(c2ccccc2)=C(C#N)C1=O Amb18036746 [0,1,1,0,0,0|1,0,1]=4 99 B17R3.34483 CC1=Nc2c(nc3ccccn23)C(=O)N1 Amb18631778 [1,1,0,0,0,0|1,0,1]=4 100 B17R3.34483 CC1=Nc2c(sc3ccccc23)C(=O)N1 Amb20461265 [1,1,0,0,0,0|1,0,0]=3 101 B17R3.34483 CC1=Nc2c(sc3ncccc23)C(=O)N1 Amb20461272 [1,1,0,0,0,0|2,0,0]=4 102 B17R3.34483 O=C1NC(=O)c2oc3ccccc3c2N1 Amb22728808 [1,1,0,0,0,0|1,0,1]=4 103 B17R3.34483 O=C1NC(=S)Nc2c1oc3ccccc23 Amb19849207 [1,1,0,0,0,0|1,0,1]=4 104 B17R3.34483 O=C1NC(=S)Nc2c1sc3ccccc23 Amb22442266 [1,1,0,0,0,0|1,0,1]=4 105 B17R3.51119 Cc1cccc2nc3c(n12)N=CNC3=O Amb18631770 [1,1,0,0,0,0|1,0,1]=4 106 B17R3.51119 O=C1NC=Nc2c1sc3cccc(Cl)c23 Amb19747133 [1,1,0,0,0,0|1,0,0]=3 107 B17R3.51119 O=C1NC=Nc2c1sc3cccc(F)c23 Amb19747126 [1,1,0,0,0,0|1,0,0]=3 108 B17R3.51120 Cc1cccn2c3c(nc12)C(=O)NC=N3 Amb18631767 [1,1,0,0,0,0|1,0,1]=4 109 B17R3.51174 Cn1c2c(c3ccccc31)C=NNC2=O Amb20283299 [1,1,0,0,0,0|2,0,0]=4 110 B17R3.284867 Cc1ccc2nc3c(n2c1)N=CNC3=O Amb18631769 [1,1,0,0,0,0|1,0,1]=4 111 B17R3.284867 O=C1NC=Nc2c1nc3ccc(Br)cn23 Amb18631771 [1,1,0,0,0,0|1,0,1]=4 112 B17R3.284867 O=C1NC=Nc2c1nc3ccc(Cl)cn23 Amb18631772 [1,1,0,0,0,0|1,0,1]=4 113 B17R3.284867 O=C1NC=Nc2c1nc3ccc(F)cn23 Amb18112969 [1,1,0,0,0,0|1,0,1]=4 114 B19R3.67868 CN1C(=O)c2cc3ccccc3cc2N=C1S Amb19514225 [0,1,0,0,0,1|1,0,0]=3 115 B19R3.104467 C#CCN1C=Nc2c(oc3ccccc23)C1=O Amb20556784 [0,2,0,0,0,0|1,0,0]=3 116 B15R2.4083 CN1C=CN(Cc2ccccc2)C1=O Amb27217209 [0,0,1,0,1,0|2,0,0]=4 117 B15R2.4083 Cn1ncc(Cc2ccccc2)c1N Amb17090060 [0,0,1,0,1,0|2,0,0]=4 118 B15R2.321 CN1N=C(c2ccccc2)N(C)C1=O Amb27478481 [0,0,1,0,1,0|2,0,0]=4 119 B15R2.321 Cc1c(-c2ccccc2)nn(C)c1Cl Amb27399960 [0,0,1,0,1,0|2,0,0]=4 120 B15R2.321 Cc1c(-c2ccccc2)nn(C)c1N Amb22586815 [0,0,1,0,1,0|2,0,0]=4 121 B15R2.321 Cc1c(-c2ccccc2)nn(C)c1N Amb5259018 [0,0,1,0,1,0|2,0,0]=4 122 B15R2.321 Cc1c(-c2ccccc2)nn(C)c1O Amb28075775 [0,0,1,0,1,0|1,0,1]=4 123 B15R2.321 Cc1c(Br)c(-c2ccccc2)nn1C Amb25244819 [0,0,1,0,1,0|2,0,0]=4 124 B15R2.321 Cc1c(N)c(-c2ccccc2)nn1C Amb26850809 [0,0,1,0,1,0|1,0,0]=3 125 B15R2.321 Cc1c(N)c(-c2ccccn2)nn1C Amb25884509 [0,0,1,0,1,0|2,0,0]=4 126 B15R2.321 Cc1c(N)c(-c2cccnc2)nn1C Amb26058145 [0,0,1,0,1,0|2,0,0]=4 127 B15R2.321 Cc1c(N)c(-c2ccncc2)nn1C Amb27495612 [0,0,1,0,1,0|2,0,0]=4 128 B15R2.321 Cn1nc(-c2ccccc2)c(Br)c1O Amb27436246 [0,0,1,0,1,0|1,0,1]=4 129 B15R2.321 Cn1nc(-c2ccccc2)c(F)c1N Amb32861479 [0,0,1,0,1,0|2,0,0]=4 130 B15R2.321 Nc1c(-c2ccccc2)nn(O)c1N Amb27667947 [0,0,1,0,1,0|2,0,0]=4 131 B15R2.1152 CN1C=NC(c2cccs2)=C(Br)C1=O Amb32649600 [0,0,1,0,1,0|2,0,0]=4 132 B15R2.554 CN1N=C(c2ccccc2F)CC1=O Amb26859388 [0,0,1,0,1,0|1,0,1]=4 133 B15R2.554 CN1N=C(c2ccccc2N)OC1=O Amb27437933 [0,0,1,0,1,0|1,0,0]=3 134 B15R2.554 Cc1cc(-c2cccnc2N)nn1C Amb18820802 [0,0,1,0,1,0|2,0,0]=4 135 B15R2.554 Cc1cc(-c2ccncc2N)nn1C Amb18820804 [0,0,1,0,1,0|2,0,0]=4 136 B15R2.554 Cc1cc(-c2ncccc2N)nn1C Amb18820801 [0,0,1,0,1,0|2,0,0]=4 137 B15R2.554 Cc1ccccc1-c2cc(Br)n(C)n2 Amb27392128 [0,0,1,0,1,0|2,0,0]=4 138 B15R2.554 Cc1ccccc1-c2cc(N)n(C)n2 Amb5760171 [0,0,1,0,1,0|2,0,0]=4 139 B15R2.554 Cc1ccccc1-c2cc(O)n(C)n2 Amb27404181 [0,0,1,0,1,0|1,0,1]=4 140 B15R2.554 Cc1nc(-c2ccccc2N)nn1C Amb18863366 [0,0,1,0,1,0|2,0,0]=4 141 B15R2.554 Cn1nc(-c2ccccc2Br)cc1Br Amb28368429 [0,0,1,0,1,0|2,0,0]=4 142 B15R2.554 Cn1nc(-c2ccccc2Br)cc1Cl Amb27238658 [0,0,1,0,1,0|2,0,0]=4 143 B15R2.554 Cn1nc(-c2ccccc2Br)cc1N Amb8848954 [0,0,1,0,1,0|2,0,0]=4 144 B15R2.554 Cn1nc(-c2ccccc2Cl)cc1N Amb5760174 [0,0,1,0,1,0|2,0,0]=4 145 B15R2.554 Cn1nc(-c2ccccc2F)cc1N Amb8848945 [0,0,1,0,1,0|2,0,0]=4 146 B15R2.554 Cn1nc(-c2ccccc2F)cc1O Amb24663795 [0,0,1,0,1,0|1,0,1]=4 147 B15R2.554 Cn1nc(-c2ccccc2I)cc1N Amb9214032 [0,0,1,0,1,0|2,0,0]=4 148 B15R2.554 Cn1nc(-c2ccccc2N)cc1O Amb28245906 [0,0,1,0,1,0|0,0,1]=3 149 B15R2.554 Cn1nc(-c2ccccc2O)cc1N Amb22007893 [0,0,1,0,1,0|2,0,0]=4 150 B15R2.554 Cn1nc(-c2ccccc2O)cc1O Amb28253843 [0,0,1,0,1,0|1,0,1]=4 151 B15R2.7473 CC1C=NN(c2ccccc2N)C1=O Amb27193597 [0,0,1,0,1,0|2,0,0]=4 152 B15R2.7473 CN1C=CN(c2ccccc2N)C1=O Amb27631674 [0,0,1,0,1,0|2,0,0]=4 153 B15R2.7473 Cc1ccccc1-c2ncn(C)c2N Amb18946407 [0,0,1,0,1,0|2,0,0]=4 154 B15R2.7473 Cn1cnc(-c2ccccc2Br)c1N Amb17605583 [0,0,1,0,1,0|2,0,0]=4 155 B15R2.7473 Cn1cnc(-c2ccccc2F)c1N Amb17605581 [0,0,1,0,1,0|2,0,0]=4 156 B15R3.562 O=C1NC=Nc2c1sc3ccsc23 Amb28074086 [1,0,0,0,1,0|2,0,0]=4 157 B17R2.39935 CN1C=CC(c2ccccc2)=CC(N)C1=O Amb20171592 [0,0,1,0,0,1|1,0,1]=4 158 B17R2.39935 CN1C=CC(c2ccccc2)=CC(N)C1=O Amb20171593 [0,0,1,0,0,1|1,0,1]=4 159 B17R3.4465 Cc1ncnc-2c1CNc3ccccc32 Amb31112127 [1,0,0,0,0,1|1,0,1]=4