0 B13R2.3742 Cc1cc2c(ncn2C)c(n1)O 271570a_203496583355_100000091626 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.3742 Cn1cnc2c1nc(nc2O)N 271570a_203496583355_100000708713 [0,0,0,0,0,0|0,0,2]=2 2 B13R2.3742 Cn1ncc2c1nc([nH]c2=O)O 271570a_203496583355_100000057953 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.3742 Cn1ncc2c1nc(nc2O)N 271570a_203496583355_100000144275 [0,0,0,0,0,0|2,0,2]=4 4 B12R2.132 Cn1ccc2c1nc(nc2)O 271570a_203496583355_100009859872 [1,0,0,0,0,0|2,0,1]=4 5 B12R2.132 Cn1cnc2c1cc(cc2)O 271570a_203496583355_100000702186 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.132 Cn1cnc2c1cc(nc2)O 271570a_203496583355_100009863791 [1,0,0,0,0,0|2,0,1]=4 7 B12R2.132 Cn1cnc2c1nc(nc2)O 271570a_203496583355_100000085903 [1,0,0,0,0,0|1,0,1]=3 8 B12R2.196 Cn1ccc2c1nccc2O 271570a_203496583355_100010168893 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.196 Cn1ccc2c1ncnc2O 271570a_203496583355_100000076352 [1,0,0,0,0,0|1,0,2]=4 10 B12R2.196 Cn1cnc2c1cccc2O 271570a_203496583355_100000696766 [1,0,0,0,0,0|2,0,1]=4 11 B12R2.196 Cn1cnc2c1ccnc2O 271570a_203496583355_100000075535 [1,0,0,0,0,0|1,0,2]=4 12 B12R2.196 Cn1cnc2c1ncnc2O 271570a_203496583355_100000058137 [1,0,0,0,0,0|0,0,2]=3 13 B12R2.246 Nc1cc(c2cc[nH]c2n1)O 271570a_203496583355_100009864914 [1,0,0,0,0,0|2,0,1]=4 14 B12R2.246 Nc1nc(c2nc[nH]c2n1)O 271570a_203496583355_200000049598 [1,0,0,0,0,0|0,0,2]=3 15 B12R2.246 O=c1[nH]c(nc2c1[nH]cn2)O 271570a_203496583355_100009812310 [1,0,0,0,0,0|1,0,2]=4 16 B14R2.1938 C=Cc1nc(nc2c1ncn2C)N 271570a_100011290941_100000708713 [0,1,0,0,0,0|1,0,1]=3 17 B14R2.1938 CNc1nc(nc2c1ncn2C)N 27a_100102657272_100000708713 [0,1,0,0,0,0|1,0,1]=3 18 B14R2.1938 CSc1nc(nc2c1ncn2C)N 62a_200000210301_100000708713 [0,1,0,0,0,0|0,1,1]=3 19 B14R2.1938 Cn1cnc2c1nc(nc2S[13CH3])N 62a_200025704644_100000708713 [0,1,0,0,0,0|0,1,1]=3 20 B14R2.19613 C=Cc1nc2c(cnn2C)c(=O)[nH]1 271570a_100011290941_100000057953 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.19613 CNc1nc2c(cnn2C)c(=O)[nH]1 27a_100102657272_100000057953 [0,1,0,0,0,0|2,0,0]=3 22 B14R2.19613 CSc1nc2c(cnn2C)c(=O)[nH]1 62a_200000210301_100000057953 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.19613 Cn1ncc2c1nc([nH]c2=O)S[13CH3] 62a_200025704644_100000057953 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.69 CCCCc1cnc([nH]c1=O)N 271570a_100020621405_100012456729 [0,0,1,0,0,0|2,0,1]=4 25 B12R1.69 CCCSc1cnc([nH]c1=O)N 62a_100012456729_100000210303 [0,0,1,0,0,0|2,0,1]=4 26 B12R1.69 COCSc1cnc([nH]c1=O)N 62a_100012456729_100000766300 [0,0,1,0,0,0|2,0,1]=4 27 B12R1.69 CSCSc1cnc([nH]c1=O)N 62a_100012456729_100011218213 [0,0,1,0,0,0|2,0,1]=4 28 B12R1.234 CNc1nc([nH]c(=O)c1C#N)N 27a_100102657272_200009962605 [0,0,1,0,0,0|2,0,0]=3 29 B12R1.234 CSc1nc([nH]c(=O)c1C#N)N 62a_200000210301_200009962605 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.234 [13CH3]Sc1nc([nH]c(=O)c1C#N)N 62a_200025704644_200009962605 [0,0,1,0,0,0|3,0,0]=4 31 B14R2.8045 Nc1nc2c(cccc2c(=O)[nH]1)O 271570a_203496583355_100010142784 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.81 C=C=Cc1cnc([nH]c1=O)N 271570a_100015277604_100012456729 [1,0,1,0,0,0|1,0,1]=4 33 B11R1.81 CC=Cc1cnc([nH]c1=O)C 271570a_100016259895_100011999157 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.81 CC=Cc1cnc([nH]c1=O)N 271570a_100016259895_100012456729 [1,0,1,0,0,0|1,0,0]=3 35 B11R1.81 CC=Cc1cnc([nH]c1=O)O 271570a_100016259895_100011215686 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.81 CCSc1cnc([nH]c1=O)N 62a_100012456729_100000210202 [1,0,1,0,0,0|1,0,1]=4 37 B11R1.464 C=Cc1c(nc([nH]c1=O)O)C 271570a_100011290941_100000187651 [1,0,1,0,0,0|2,0,0]=4 38 B11R2.36 Oc1ccc2nc[nH]c2n1 271570a_203496583355_100000077665 [2,0,0,0,0,0|2,0,0]=4 39 B11R2.106 Oc1ccnc2c1nc[nH]2 271570a_203496583355_100009820729 [2,0,0,0,0,0|1,0,1]=4 40 B13R1.164 CC(C)C=Cc1cnc([nH]c1=O)N 271570a_100016257149_100012456729 [0,1,1,0,0,0|2,0,0]=4 41 B13R1.164 CC(O)C=Cc1cnc([nH]c1=O)N 271570a_200011019289_100012456729 [0,1,1,0,0,0|2,0,0]=4 42 B13R1.369 C/C=C/CSc1cnc([nH]c1=O)N 62a_100012456729_100102629194 [0,1,1,0,0,0|2,0,0]=4 43 B13R1.369 CC=CCSc1cnc([nH]c1=O)N 62a_100012456729_100000070051 [0,1,1,0,0,0|2,0,0]=4 44 B13R1.369 CCCC=Cc1cnc([nH]c1=O)N 271570a_100016258520_100012456729 [0,1,1,0,0,0|2,0,0]=4 45 B13R1.369 CCOC=Cc1cnc([nH]c1=O)N 271570a_100016256518_100012456729 [0,1,1,0,0,0|2,0,0]=4 46 B13R1.369 COCC=Cc1cnc([nH]c1=O)N 271570a_100016286323_100012456729 [0,1,1,0,0,0|2,0,0]=4 47 B13R1.3255 CN(C)c1nc([nH]c(=O)c1C#N)N 27a_100102631434_200009962605 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.3980 CCNc1nc([nH]c(=O)c1C#N)N 27a_100015525214_200009962605 [0,1,1,0,0,0|2,0,0]=4 49 B13R2.669 C=Cc1ncc2ncn(c2n1)C 271570a_100011290941_100000085903 [1,1,0,0,0,0|1,0,1]=4 50 B13R2.669 CNc1ccc2ncn(c2c1)C 34a_100015183096_200000210301 [1,1,0,0,0,0|2,0,0]=4 51 B13R2.669 CNc1ncc2ccn(c2n1)C 27a_100102657272_100009859872 [1,1,0,0,0,0|1,0,1]=4 52 B13R2.669 CNc1ncc2ncn(c2n1)C 27a_100102657272_100000085903 [1,1,0,0,0,0|0,0,1]=3 53 B13R2.669 CSc1ncc2ncn(c2n1)C 62a_200000210301_100000085903 [1,1,0,0,0,0|1,0,1]=4 54 B13R2.669 Cn1cnc2c1cc(cc2)N[13CH3] 34a_100015183096_200025704644 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.669 Cn1cnc2c1nc(nc2)S[13CH3] 62a_200025704644_100000085903 [1,1,0,0,0,0|1,0,1]=4 56 B13R2.9 CCn1cnc2c1ncnc2O 271570a_203496583355_100000058139 [1,1,0,0,0,0|0,0,2]=4 57 B13R2.9 CSc1c[nH]c2c1nc[nH]c2=O 62a_200000210301_200010089858 [1,1,0,0,0,0|1,0,1]=4 58 B13R2.9 [13CH3]Sc1c[nH]c2c1nc[nH]c2=O 62a_200025704644_200010089858 [1,1,0,0,0,0|1,0,1]=4 59 B13R2.573 C=Cc1ncnc2c1ncn2C 271570a_100011290941_100000058137 [1,1,0,0,0,0|1,0,1]=4 60 B13R2.573 CNc1ncnc2c1ncn2C 27a_100102657272_100000058137 [1,1,0,0,0,0|1,0,1]=4 61 B13R2.573 CSc1ncnc2c1ncn2C 62a_200000210301_100000058137 [1,1,0,0,0,0|0,1,1]=4 62 B13R2.573 Cn1cnc2c1ncnc2S[13CH3] 62a_200025704644_100000058137 [1,1,0,0,0,0|0,1,1]=4 63 B13R2.5151 Cn1cnc2c1c(c[nH]c2=O)O 271570a_203496583355_100021395012 [1,1,0,0,0,0|1,0,0]=3 64 B13R2.623 C=Cc1nc(nc2c1nc[nH]2)N 271570a_100011290941_200000049598 [1,1,0,0,0,0|1,0,1]=4 65 B13R2.654 CNc1nc(c2nc[nH]c2n1)C 27a_100102657272_100000093496 [1,1,0,0,0,0|1,0,1]=4 66 B13R2.654 CNc1nc(c2nc[nH]c2n1)N 27a_100102657272_100102524922 [1,1,0,0,0,0|1,0,1]=4 67 B13R2.654 CNc1nc2nc[nH]c2c(=O)[nH]1 27a_100102657272_100020644719 [1,1,0,0,0,0|0,0,2]=4 68 B13R2.5397 Nc1nc2[nH]c(nc2c(=O)[nH]1)O 271570a_203496583355_200009813169 [1,1,0,0,0,0|0,0,0]=2 69 B13R2.5397 O=c1[nH]c(=O)c2nc([nH]c2[nH]1)O 271570a_203496583355_100010005409 [1,1,0,0,0,0|1,0,1]=4 70 B15R2.9274 C=C(C)c1nc(nc2c1ncn2C)N 271570a_100000694244_100000708713 [0,2,0,0,0,0|1,0,1]=4 71 B15R2.9274 CN(C)c1nc(nc2c1ncn2C)N 27a_100102631434_100000708713 [0,2,0,0,0,0|1,0,1]=4 72 B15R2.28880 C=C=Cc1nc(nc2c1ncn2C)N 271570a_100015277604_100000708713 [0,2,0,0,0,0|1,0,1]=4 73 B15R2.28880 CC=Cc1nc(nc2c1ncn2C)N 271570a_100016259895_100000708713 [0,2,0,0,0,0|1,0,1]=4 74 B15R2.28880 CCNc1nc(nc2c1ncn2C)N 27a_100015525214_100000708713 [0,2,0,0,0,0|1,0,1]=4 75 B15R2.28880 CCSc1nc(nc2c1ncn2C)N 62a_100000210202_100000708713 [0,2,0,0,0,0|0,1,1]=4 76 B15R2.28880 Cn1cnc2c1nc(nc2SCF)N 62a_100015361967_100000708713 [0,2,0,0,0,0|0,1,1]=4 77 B15R2.9273 CN(C)c1nc2c(cnn2C)c(=O)[nH]1 27a_100102631434_100000057953 [0,2,0,0,0,0|2,0,0]=4 78 B15R2.11564 CCNc1nc2c(cnn2C)c(=O)[nH]1 27a_100015525214_100000057953 [0,2,0,0,0,0|2,0,0]=4 79 B15R2.11564 CNCc1nc2c(cnn2C)c(=O)[nH]1 2230a_106832991635_100000026200 [0,2,0,0,0,0|2,0,0]=4 80 B15R2.11564 CNCc1nc2c(cnn2C)c(=O)[nH]1 7a_106832991635_100000026200 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.3424 Cn1cnc(c1)CC(=O)CC(=O)N 1458a_100011512828_100000187820 [0,0,1,0,0,1|2,0,0]=4 82 B13R1.3424 Cn1cnc(c1)CC(=O)CC(=O)N 1458a_100134613110_100000717665 [0,0,1,0,0,1|2,0,0]=4 83 B13R2.342 O=c1[nH]cnc2c1cncc2O 271570a_203496583355_200010117198 [1,0,0,0,0,1|2,0,0]=4 84 B13R2.5179 O=c1[nH]cnc2c1ncc(c2)O 271570a_203496583355_100000709876 [1,0,0,0,0,1|2,0,0]=4