0 B16R2.27401 CC(=C)CCNc1ncnc2nc[nH]c12 Amb17943067 [0,0,0,0,0,0|0,0,4]=4 1 B16R2.27401 CC(=CCNc1ncnc2c1nc[nH]2)C Amb1953565 [0,0,0,0,0,0|0,0,0]=0 2 B16R2.27401 CC(C)=CCNc1[n]ccc2[nH][n][n]c12 Amb24104735 [0,0,0,0,0,0|2,0,0]=2 3 B16R2.27401 CC(C)=CCSc1[n]c[n]c2[nH]c[n]c12 Amb22482690 [0,0,0,0,0,0|1,0,0]=1 4 B16R2.27401 CN(C)CCNc:1:[nH]:c:[n]:c-2:[n]:c:[n]:c21 Amb19002938 [0,0,0,0,0,0|1,0,3]=4 5 B16R2.27401 CN(C)CCSc1[n]c[n]c2[nH]c[n]c12 Amb21977798 [0,0,0,0,0,0|2,0,1]=3 6 B16R2.27401 CN(CCNc1ncnc2c1ccs2)C Amb15701 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.27401 CN(CCNc1ncnc2c1nc[nH]2)C Amb2520647 [0,0,0,0,0,0|1,0,1]=2 8 B16R2.27401 OC(=O)CCNc1[n]c[n]c2[s]c[n]c21 Amb24693207 [0,0,0,0,0,0|3,0,1]=4 9 B15R2.4278 C=CCCNc1[n]c[n]c2[s]c[n]c21 Amb24504656 [1,0,0,0,0,0|1,0,2]=4 10 B15R2.4278 CC#CCNc1[n]c[n]c2[nH]ccc12 Amb24541368 [1,0,0,0,0,0|1,0,2]=4 11 B15R2.4278 CCCCNc1[n][n][n]c2[nH]c[n]c12 Amb24710322 [1,0,0,0,0,0|1,0,2]=4 12 B15R2.4278 CCCCNc1[n]c[n]c2[nH]ccc12 Amb25167669 [1,0,0,0,0,0|1,0,2]=4 13 B15R2.4278 CCCCNc1[n]c[n]c2[s]c[n]c21 Amb24739972 [1,0,0,0,0,0|1,0,2]=4 14 B15R2.4278 CCCCNc1ncnc2c1nc[nH]2 Amb1250561 [1,0,0,0,0,0|0,0,2]=3 15 B15R2.4278 CNCCNc1[n]c[n]c2[s]c[n]c21 Amb24711599 [1,0,0,0,0,0|2,0,1]=4 16 B15R2.4278 COCCNc1[n]c[n]c2[s]c[n]c21 Amb24434153 [1,0,0,0,0,0|2,0,1]=4 17 B15R2.4278 C\C=C\CNc1[n]c[n]c2[s]c[n]c21 Amb25138922 [1,0,0,0,0,0|1,0,0]=2 18 B15R2.4278 C\C=C\CNc1[n]ccc2occc21 Amb25262564 [1,0,0,0,0,0|3,0,0]=4 19 B15R2.4278 OCCCNc1ncnc2c1nc[nH]2 Amb2520684 [1,0,0,0,0,0|1,0,2]=4 20 B15R2.4278 O\N=C\CNc1[n]c[n]c2[nH]c[n]c12 Amb25804701 [1,0,0,0,0,0|2,0,0]=3 21 B17R2.4967 Nc1[n]c(NCCC(O)=O)c2[n]c[nH]c2[n]1 Amb22408288 [0,1,0,0,0,0|2,0,1]=4 22 B17R2.60842 OC\C(=C/CNc1ncnc2c1[nH]cn2)\C Amb16193287 [0,1,0,0,0,0|0,0,2]=3 23 B17R2.84729 CC(C(=O)NNc1ncnc2c1nc[nH]2)C Amb2520747 [0,1,0,0,0,0|1,0,1]=3 24 B17R2.84729 CC(C)=C(C)CNc1[n]c[n]c2[n]c[nH]c12 Amb22547632 [0,1,0,0,0,0|0,0,2]=3 25 B17R2.84729 CC(C)=C(F)CNc1[n]c[n]c2[n]c[nH]c12 Amb22547625 [0,1,0,0,0,0|0,0,2]=3 26 B17R2.84729 CN(C)C(=O)CNc1[n]c[n]c2[nH][n]cc12 Amb23561862 [0,1,0,0,0,0|3,0,0]=4 27 B17R2.90971 CC(C)=CCN(O)c1ncnc2nc[nH]c12 Amb17942939 [0,1,0,0,0,0|0,0,2]=3 28 B17R2.147063 CC(C)=CC(=O)Nc1[n]c[n]c2[nH]c[n]c12 Amb22730741 [0,1,0,0,0,0|0,0,1]=2 29 B17R2.184950 CN(CCNc1ncnc2c1c(Br)c[nH]2)C Amb10075332 [0,1,0,0,0,0|2,0,1]=4 30 B17R3.17527 OC1CN(CC1)c2[n]c[n]c3[nH]c[n]c23 Amb22432250 [0,0,0,1,0,0|1,0,2]=4 31 B15R2.19753 C=C(Br)CNc1[n]c[n]c2[nH]ccc12 Amb24731000 [0,0,0,0,1,0|2,0,1]=4 32 B15R2.19753 C=C(Br)CNc1[n]c[n]c2[s]c[n]c21 Amb25112875 [0,0,0,0,1,0|2,0,1]=4 33 B15R2.19753 C=C(Br)CSc1[n]c[n]c2[nH]c[n]c12 Amb19511134 [0,0,0,0,1,0|2,0,1]=4 34 B15R2.19753 C=C(Cl)CNc1[n]c[n]c2[nH]ccc12 Amb25323588 [0,0,0,0,1,0|2,0,1]=4 35 B15R2.19753 C=C(Cl)CSc1[n]c[n]c2[nH]c[n]c12 Amb19511140 [0,0,0,0,1,0|2,0,1]=4 36 B15R2.19753 CC(=C)CNc1[n]c[n]c2[nH]ccc12 Amb25119670 [0,0,0,0,1,0|1,0,1]=3 37 B15R2.19753 CC(=C)CNc1[n]c[n]c2[s]ccc21 Amb25138503 [0,0,0,0,1,0|2,0,1]=4 38 B15R2.19753 CC(=C)CNc1[n]c[n]c2cc[s]c21 Amb25363026 [0,0,0,0,1,0|2,0,1]=4 39 B15R2.19753 CC(=O)CNc1[n]c[n]c2[nH][n][n]c12 Amb25696433 [0,0,0,0,1,0|2,0,0]=3 40 B15R2.19753 CC(=O)OCc1[n]c[n]c2[nH]c[n]c21 Amb25764532 [0,0,0,0,1,0|2,0,0]=3 41 B15R2.19753 CC(=O)SCc1[n]c[n]c2[nH]c[n]c21 Amb24358231 [0,0,0,0,1,0|2,0,0]=3 42 B15R2.19753 CC(C)CNc1[n]c[n]c2[s]c[n]c21 Amb24415549 [0,0,0,0,1,0|1,0,1]=3 43 B15R2.19753 CC(C)CNc:1:[nH]:c:[n]:c-2:[n]:c:[n]:c21 Amb18967688 [0,0,0,0,1,0|0,0,3]=4 44 B15R2.19753 CC(C)COc1[n]c[n]c2[nH]c[n]c12 Amb24427670 [0,0,0,0,1,0|1,0,1]=3 45 B15R2.19753 CC(C)NCc1cc[n]c2[nH]c[n]c21 Amb25838058 [0,0,0,0,1,0|2,0,1]=4 46 B15R2.19753 CC(CNc1ncnc2c1nc[nH]2)C Amb1163340 [0,0,0,0,1,0|0,0,1]=2 47 B15R2.19753 CC(O)CNc1[n]c[n]c2[nH]ccc12 Amb25052032 [0,0,0,0,1,0|2,0,1]=4 48 B15R2.19753 CC(O)CNc1[n]c[n]c2[s]c[n]c21 Amb24693220 [0,0,0,0,1,0|2,0,1]=4 49 B15R2.19753 CN(C)CNc1[n]c[n]c2[nH]c[n]c12 Amb25257478 [0,0,0,0,1,0|1,0,0]=2 50 B15R2.19753 CN(C)\C=N\c1[n]c[n]c2[nH]ccc21 Amb25806114 [0,0,0,0,1,0|2,0,1]=4 51 B15R2.19753 C[C@H](N)CSc1[n]c[n]c2[nH]c[n]c12 Amb25666002 [0,0,0,0,1,0|2,0,1]=4 52 B15R2.19753 C[C@H](O)CSc1[n]c[n]c2[nH]c[n]c12 Amb25297827 [0,0,0,0,1,0|2,0,1]=4 53 B15R2.19753 NC(=N)CSc1[n]c[n]c2[nH]c[n]c12 Amb24335695 [0,0,0,0,1,0|3,0,0]=4 54 B15R2.19753 NC(=N)SCc1[n]c[n]c2[nH]c[n]c21 Amb25276350 [0,0,0,0,1,0|3,0,0]=4 55 B15R2.19753 NC(=S)NNc1[n]c[n]c2[nH]c[n]c12 Amb24336494 [0,0,0,0,1,0|3,0,0]=4 56 B15R2.19753 NC(=S)SCc1[n]c[n]c2[nH]c[n]c21 Amb25819380 [0,0,0,0,1,0|3,0,0]=4 57 B15R2.19753 OC(=O)CNc1[n]c[n]c2[s]c[n]c21 Amb25101156 [0,0,0,0,1,0|3,0,0]=4 58 B14R1.76 CC(C)=CCNc1cc([n]c[n]1)SC Amb24400223 [1,0,1,0,0,0|1,0,1]=4 59 B14R1.154 CC(C)=CCNc1[n]c[n]c(N)c1Cl Amb23900860 [1,0,1,0,0,0|1,0,0]=3 60 B14R1.96 CC(C)=CCNc1[n]c[n]cc1C#N Amb25801372 [1,0,1,0,0,0|0,0,2]=4 61 B14R1.96 CC(C)=CCNc1[n]c[n]cc1OC Amb25735419 [1,0,1,0,0,0|1,0,1]=4 62 B14R2.892 C=CCNc1[n]c[n]c2[nH][n]cc12 Amb24681875 [2,0,0,0,0,0|2,0,0]=4 63 B14R2.892 C=CCNc1[n]c[n]c2cc[s]c21 Amb18295326 [2,0,0,0,0,0|2,0,0]=4 64 B14R2.892 C=CCNc1ccnc2c1cc[nH]2 Amb13885311 [2,0,0,0,0,0|2,0,0]=4 65 B14R2.892 C=CCNc:1:[nH]:c:[n]:c-2:[n]:c:[n]:c21 Amb18295373 [2,0,0,0,0,0|0,0,2]=4 66 B14R2.892 CCCCc1[n]c[n]c2[nH]c[n]c21 Amb25047435 [2,0,0,0,0,0|0,0,2]=4 67 B14R2.892 CCCNc1ncnc2c1cc[nH]2 Amb17619592 [2,0,0,0,0,0|1,0,1]=4 68 B14R2.892 CCCNc1ncnc2c1nc[nH]2 Amb2520651 [2,0,0,0,0,0|0,0,1]=3 69 B14R2.892 CN\C=C\c1[n]c[n]c2[nH]c[n]c12 Amb25232554 [2,0,0,0,0,0|1,0,1]=4 70 B14R2.892 COCNc1[n]c[n]c2[nH]ccc12 Amb25135166 [2,0,0,0,0,0|2,0,0]=4 71 B14R2.892 COCSc1[n]c[n]c2[nH]c[n]c12 Amb24335366 [2,0,0,0,0,0|2,0,0]=4 72 B14R2.892 CSCCc1[n]c[n]c2[nH]c[n]c12 Amb25295272 [2,0,0,0,0,0|1,0,1]=4 73 B14R2.892 O=CCNc1[n]c[n]c2[nH]c[n]c12 Amb25109341 [2,0,0,0,0,0|1,0,0]=3 74 B14R2.892 O=CCSc1[n]c[n]c2[nH]c[n]c12 Amb18330458 [2,0,0,0,0,0|2,0,0]=4 75 B14R2.892 SCCNc1[n]c[n]c2[nH]c[n]c12 Amb24400281 [2,0,0,0,0,0|1,0,1]=4 76 B16R2.11632 COCCCNc1ncnc2c1nc[nH]2 Amb1163338 [1,1,0,0,0,0|0,0,2]=4 77 B16R2.29551 CC(Nc1ncnc2c1nc[nH]2)COC Amb1308829 [1,1,0,0,0,0|1,0,1]=4 78 B16R2.33648 CCC(=O)NNc1ncnc2c1nc[nH]2 Amb2520693 [1,1,0,0,0,0|1,0,1]=4 79 B16R2.3962 Nc1[n]c(NCC(O)=O)c2[n]c[nH]c2[n]1 Amb22407575 [0,1,0,0,1,0|2,0,0]=4 80 B16R2.3962 OC(=O)CNc1nc(Cl)nc2c1nc[nH]2 Amb17039224 [0,1,0,0,1,0|2,0,0]=4 81 B16R2.49441 C[C@@H](C(=O)O)Nc1ncnc2c1nc[nH]2 Amb17039223 [0,1,0,0,1,0|2,0,0]=4 82 B18R2.59629 CC(C)=CCNc1[n]c[n]c2c(F)cccc21 Amb23900871 [0,1,0,0,0,1|2,0,0]=4 83 B16R2.22833 CC(=O)CC[n]1c[n]c2c(N)[n]c[n]c12 Amb24588549 [0,0,1,1,0,0|1,0,1]=4 84 B16R3.5924 C1CCN(C1)c2ncnc3c2nc[nH]3 Amb2520663 [1,0,0,1,0,0|0,0,2]=4 85 B16R3.6462 C1C=CC[n]2c[n]c3[n]c[n]c(N1)c23 Amb25815070 [1,0,0,1,0,0|0,0,2]=4 86 B18R3.31674 CC1CCCN(C1)c2ncnc3c2nc[nH]3 Amb2520671 [0,0,0,1,0,1|0,0,2]=4 87 B18R3.8788 CN1CCN(CC1)c2ncnc3c2nc[nH]3 Amb1266797 [0,1,0,1,0,0|1,0,1]=4 88 B14R2.9440 CC(=O)Nc1[n]c[n]c2[nH]ccc21 Amb24635020 [0,0,0,0,2,0|2,0,0]=4 89 B14R2.9440 CC(=O)Nc1ncnc2c1nn[nH]2 Amb1080220 [0,0,0,0,2,0|2,0,0]=4 90 B14R2.9440 CC(C)Nc1[n][n][n]c2[nH]c[n]c21 Amb24426248 [0,0,0,0,2,0|1,0,1]=4 91 B14R2.9440 CC(C)Nc1[n]c[n]c2[nH]ccc21 Amb25805461 [0,0,0,0,2,0|1,0,1]=4 92 B14R2.9440 CC(C)Nc1[n]c[n]c2[s]c[n]c21 Amb24440314 [0,0,0,0,2,0|1,0,1]=4 93 B14R2.9440 CC(C)Oc1[n]c[n]c2[nH]c[n]c12 Amb24488863 [0,0,0,0,2,0|1,0,1]=4 94 B14R2.9440 CC(Sc1ncnc2c1nc[nH]2)C Amb2520681 [0,0,0,0,2,0|1,0,1]=4 95 B14R2.9440 CN(C)Nc1[n][n][n]c2[nH]c[n]c21 Amb25800154 [0,0,0,0,2,0|2,0,0]=4 96 B14R2.9440 CN(C)Nc1[n]c[n]c2[s]c[n]c21 Amb24373354 [0,0,0,0,2,0|2,0,0]=4 97 B14R2.9440 NC(=N)Nc1[n]c[n]c2[nH]c[n]c12 Amb24576344 [0,0,0,0,2,0|2,0,0]=4 98 B14R2.9440 OC(=S)Cc1[n]c[n]c2[nH]c[n]c21 Amb25270781 [0,0,0,0,2,0|2,0,0]=4