0 B12R2.246 Cc1cc(c2[nH]cnc2c1)O 271570a_203496583355_100010107307 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.246 O=c1[nH]c(nc2c1[nH]cn2)O 271570a_203496583355_100009812310 [0,0,0,0,0,0|0,0,2]=2 2 B11R2.36 Oc1cc2nc[nH]c2cn1 271570a_203496583355_100000070173 [1,0,0,0,0,0|1,0,2]=4 3 B11R2.36 Oc1ccc2[nH]cnc2c1 271570a_203496583355_100011265325 [1,0,0,0,0,0|2,0,1]=4 4 B11R2.106 Oc1nc[nH]c-2nccc12 271570a_203496583355_100015350423 [1,0,0,0,0,0|1,0,2]=4 5 B13R2.654 C=Cc1nc2nc[nH]c2c(=O)[nH]1 271570a_100011290941_100009812310 [0,1,0,0,0,0|1,0,1]=3 6 B13R2.654 CNc1nc2nc[nH]c2c(=O)[nH]1 27a_100102657272_100020644719 [0,1,0,0,0,0|1,0,1]=3 7 B13R2.654 CSc1nc2nc[nH]c2c(=O)[nH]1 62a_200000210301_100020644719 [0,1,0,0,0,0|0,1,1]=3 8 B13R2.654 [13CH3]Sc1nc2nc[nH]c2c(=O)[nH]1 62a_200025704644_100020644719 [0,1,0,0,0,0|0,1,1]=3 9 B13R2.3742 O=c1[nH]c(=O)c2scc(c2[nH]1)O 271570a_203496583355_100010246816 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.4899 Cn1c(nc2cc[nH]c2c1=O)O 271570a_203496583355_100150720343 [0,1,0,0,0,0|1,0,2]=4 11 B13R2.5397 O=c1[nH]c(=O)c2nc([nH]c2[nH]1)O 271570a_203496583355_100010005409 [0,1,0,0,0,0|0,0,2]=3 12 B11R1.8 C=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100011290941_200009866310 [0,0,1,0,0,0|2,0,0]=3 13 B11R1.8 CNc1[nH]c(=O)[nH]c(=O)c1C 27a_100102657272_200009866310 [0,0,1,0,0,0|1,0,2]=4 14 B11R1.8 CSc1[nH]c(=O)[nH]c(=O)c1C 62a_200000210301_200009866310 [0,0,1,0,0,0|2,0,1]=4 15 B11R1.8 Cc1c([nH]c(=O)[nH]c1=O)S[13CH3] 62a_200025704644_200009866310 [0,0,1,0,0,0|2,0,1]=4 16 B11R1.30 C=CCC(=O)Cc1c[nH]cn1 1458a_100000210193_100000707719 [0,0,1,0,0,0|3,0,0]=4 17 B11R1.30 C=CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210623 [0,0,1,0,0,0|3,0,0]=4 18 B11R1.30 CC=CC(=O)Cc1c[nH]cn1 1458a_100000210699_100000707719 [0,0,1,0,0,0|3,0,0]=4 19 B11R1.30 CCNC(=O)Cc1c[nH]cn1 240690a_100015525214_100015291406 [0,0,1,0,0,0|2,0,1]=4 20 B11R1.30 CNNC(=O)Cc1c[nH]cn1 22a_100016993582_100015291406 [0,0,1,0,0,0|3,0,0]=4 21 B11R1.30 O=C(C=CBr)Cc1c[nH]cn1 1458a_100016273825_100000707719 [0,0,1,0,0,0|3,0,0]=4 22 B11R1.30 O=C(C=CCl)Cc1c[nH]cn1 1458a_200016279998_100000707719 [0,0,1,0,0,0|3,0,0]=4 23 B11R1.30 O=C(C=CI)Cc1c[nH]cn1 1458a_100016256311_100000707719 [0,0,1,0,0,0|3,0,0]=4 24 B11R1.34 C=C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100015277604_100000015670 [0,0,1,0,0,0|2,0,1]=4 25 B11R1.34 CC=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100016259895_100000015670 [0,0,1,0,0,0|2,0,0]=3 26 B11R1.34 CCNc1cc(=O)[nH]c(=O)[nH]1 27a_100015525214_100000015670 [0,0,1,0,0,0|1,0,2]=4 27 B11R1.34 CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210202_100000015670 [0,0,1,0,0,0|2,0,1]=4 28 B11R1.34 O=c1cc([nH]c(=O)[nH]1)SCF 62a_100015361967_100000015670 [0,0,1,0,0,0|2,0,1]=4 29 B11R1.77 CC(=O)CC(=O)c1ccc[nH]1 1458a_100000070787_200011262396 [0,0,1,0,0,0|3,0,0]=4 30 B11R1.81 CC=Cc1n[nH]c(=O)[nH]c1=O 271570a_100016259895_100000181694 [0,0,1,0,0,0|3,0,0]=4 31 B11R1.81 CCNc1n[nH]c(=O)[nH]c1=O 27a_100015525214_100000181694 [0,0,1,0,0,0|2,0,1]=4 32 B11R1.81 CNCc1c[nH]c(=O)[nH]c1=O 2230a_106832991635_100000035367 [0,0,1,0,0,0|3,0,0]=4 33 B11R1.81 CNCc1c[nH]c(=O)[nH]c1=O 7a_106832991635_100000035367 [0,0,1,0,0,0|3,0,0]=4 34 B11R1.81 CSCc1c[nH]c(=O)[nH]c1=O 62a_200000210301_100000035367 [0,0,1,0,0,0|3,0,0]=4 35 B11R1.81 [13CH3]SCc1c[nH]c(=O)[nH]c1=O 62a_200025704644_100000035367 [0,0,1,0,0,0|3,0,0]=4 36 B11R1.464 CCc1c([nH]c(=O)[nH]c1=O)O 271570a_203496583355_100000080397 [0,0,1,0,0,0|2,0,1]=4 37 B11R1.464 CSc1c([nH]c(=O)[nH]c1=O)N 62a_200000210301_100009998185 [0,0,1,0,0,0|1,0,2]=4 38 B11R1.464 [13CH3]Sc1c([nH]c(=O)[nH]c1=O)N 62a_200025704644_100009998185 [0,0,1,0,0,0|1,0,2]=4 39 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [0,0,0,0,0,1|2,0,1]=4 40 B10R1.8 C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100011290941_100000015670 [1,0,1,0,0,0|1,0,0]=3 41 B10R1.8 CNc1cc(=O)[nH]c(=O)[nH]1 27a_100102657272_100000015670 [1,0,1,0,0,0|0,0,2]=4 42 B10R1.8 CSc1cc(=O)[nH]c(=O)[nH]1 62a_200000210301_100000015670 [1,0,1,0,0,0|1,0,1]=4 43 B10R1.8 [13CH3]Sc1cc(=O)[nH]c(=O)[nH]1 62a_200025704644_100000015670 [1,0,1,0,0,0|1,0,1]=4 44 B10R1.22 Cc1c([nH]c(=O)[nH]c1=O)O 271570a_203496583355_200009866310 [1,0,1,0,0,0|1,0,1]=4 45 B10R1.27 C=CC(=O)Cc1c[nH]cn1 1458a_100000185746_100000707719 [1,0,1,0,0,0|2,0,0]=4 46 B10R1.27 CNC(=O)Cc1c[nH]cn1 240690a_100102657272_100015291406 [1,0,1,0,0,0|1,0,1]=4 47 B10R1.25 C=Cc1n[nH]c(=O)[nH]c1=O 271570a_100011290941_100000181694 [1,0,1,0,0,0|2,0,0]=4 48 B10R1.25 CNc1n[nH]c(=O)[nH]c1=O 27a_100102657272_100000181694 [1,0,1,0,0,0|1,0,1]=4 49 B12R1.40 C=C=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100015277604_200009866310 [0,1,1,0,0,0|2,0,0]=4 50 B12R1.40 CC=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100016259895_200009866310 [0,1,1,0,0,0|2,0,0]=4 51 B12R1.234 C=Cc1[nH]c(=O)[nH]c(=O)c1CC 271570a_100011290941_100000080397 [0,1,1,0,0,0|2,0,0]=4 52 B12R1.511 C=C(C)c1[nH]c(=O)[nH]c(=O)c1C 271570a_100000694244_200009866310 [0,1,1,0,0,0|2,0,0]=4 53 B12R1.53 C=CCNC(=O)Cc1c[nH]cn1 240690a_100020586998_100015291406 [0,1,1,0,0,0|2,0,0]=4 54 B12R1.260 NC(=O)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000187820 [0,1,1,0,0,0|2,0,0]=4 55 B12R1.260 NC(=O)CC(=O)Cc1c[nH]cn1 1458a_100134613110_100000707719 [0,1,1,0,0,0|2,0,0]=4 56 B12R1.260 O=C([O-])CC(=O)Cc1c[nH]cn1 1458a_100015291406_100020667443 [0,1,1,0,0,0|2,0,0]=4 57 B12R1.44 CC=Cc1cc(=O)n(c(=O)[nH]1)C 271570a_100016259895_100000723047 [0,1,1,0,0,0|2,0,0]=4 58 B12R1.100 C=CCNc1cc(=O)[nH]c(=O)[nH]1 27a_100020586998_100000015670 [0,1,1,0,0,0|1,0,1]=4 59 B12R1.100 C=CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210623_100000015670 [0,1,1,0,0,0|2,0,0]=4 60 B12R1.100 CC=NNc1cc(=O)[nH]c(=O)[nH]1 4a_100000014984_200000210099 [0,1,1,0,0,0|1,0,0]=3 61 B12R1.100 O=CCSc1cc(=O)[nH]c(=O)[nH]1 62a_200015260668_100000015670 [0,1,1,0,0,0|2,0,0]=4 62 B12R1.101 CC(=Cc1cc(=O)[nH]c(=O)[nH]1)C 271570a_100102525489_100000015670 [0,1,1,0,0,0|2,0,0]=4 63 B12R1.69 C=CCNc1n[nH]c(=O)[nH]c1=O 27a_100020586998_100000181694 [0,1,1,0,0,0|2,0,0]=4 64 B12R1.69 CCNCc1c[nH]c(=O)[nH]c1=O 2230a_100015525214_100000035367 [0,1,1,0,0,0|1,0,1]=4 65 B12R1.233 CC(=O)Cc1c[nH]c(=O)[nH]c1=O 1458a_100000070787_100000035367 [0,1,1,0,0,0|2,0,0]=4 66 B12R1.1123 CC=Cc1cn(c(=O)[nH]c1=O)C 271570a_100016259895_100000185368 [0,1,1,0,0,0|2,0,0]=4 67 B12R1.1123 CCNc1cn(c(=O)[nH]c1=O)C 27a_100015525214_100000185368 [0,1,1,0,0,0|1,0,1]=4 68 B12R1.98 C=Cc1c(n(c(=O)[nH]c1=O)C)N 271570a_100011290941_100000184672 [0,1,1,0,0,0|1,0,1]=4 69 B14R2.8045 O=c1[nH]c(=O)c2cccc(c2[nH]1)O 271570a_203496583355_100012357391 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.8045 O=c1[nH]c(=O)c2ccnc(c2[nH]1)O 271570a_203496583355_209893295357 [0,1,0,0,0,1|1,0,0]=3 71 B14R2.8235 CN1CCc2[nH]c(=O)[nH]c(=O)c2C1 2230a_200020628080_200000210301 [0,1,0,0,0,1|1,0,1]=4 72 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011934062 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.8235 [13CH3]N1CCc2[nH]c(=O)[nH]c(=O)c2C1 2230a_200020628080_200025704644 [0,1,0,0,0,1|1,0,1]=4 74 B14R2.29365 O=c1[nH]c(=O)c2ccc(cc2[nH]1)O 271570a_203496583355_100012351534 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.29365 O=c1[nH]c(=O)c2ccc(nc2[nH]1)O 271570a_203496583355_100000117996 [0,1,0,0,0,1|1,0,0]=3 76 B14R2.587 C=C=Cc1nc2nc[nH]c2c(=O)[nH]1 271570a_100015277604_100009812310 [0,2,0,0,0,0|1,0,1]=4 77 B14R2.587 CC=Cc1nc2nc[nH]c2c(=O)[nH]1 271570a_100016259895_100009812310 [0,2,0,0,0,0|1,0,1]=4 78 B14R2.587 CCNc1nc2nc[nH]c2c(=O)[nH]1 27a_100015525214_100020644719 [0,2,0,0,0,0|1,0,1]=4 79 B14R2.587 CCSc1nc2nc[nH]c2c(=O)[nH]1 62a_100000210202_100020644719 [0,2,0,0,0,0|0,1,1]=4 80 B14R2.587 O=c1[nH]c(nc2c1[nH]cn2)SCF 62a_100015361967_100020644719 [0,2,0,0,0,0|0,1,1]=4 81 B14R2.8824 C=C(C)c1nc2nc[nH]c2c(=O)[nH]1 271570a_100000694244_100009812310 [0,2,0,0,0,0|1,0,1]=4 82 B14R2.8824 CN(C)c1nc2nc[nH]c2c(=O)[nH]1 27a_100102631434_100020644719 [0,2,0,0,0,0|1,0,1]=4 83 B14R2.2420 C=Cc1csc2c1[nH]c(=O)[nH]c2=O 271570a_100011290941_100010246816 [0,2,0,0,0,0|2,0,0]=4 84 B14R2.9026 Cn1c(=O)[nH]c(=O)c2c1nc([nH]2)O 271570a_203496583355_100000239299 [0,2,0,0,0,0|0,0,0]=2 85 B14R2.38331 C=Cc1nc2c(=O)[nH]c(=O)[nH]c2[nH]1 271570a_100011290941_100010005409 [0,2,0,0,0,0|0,0,2]=4 86 B14R2.38331 CNc1nc2c(=O)[nH]c(=O)[nH]c2[nH]1 27a_100102657272_100010005409 [0,2,0,0,0,0|0,0,2]=4 87 B12R1.51 C=CCC(=O)NCc1c[nH]cn1 11a_100000758547_100000210193 [0,0,1,0,0,1|2,0,0]=4 88 B12R1.51 C=CCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000210193 [0,0,1,0,0,1|2,0,0]=4 89 B12R1.51 C=CCC(=O)NCc1c[nH]cn1 527a_100000758547_100000210193 [0,0,1,0,0,1|2,0,0]=4 90 B12R1.51 CC=CC(=O)NCc1c[nH]cn1 11a_100000758547_100000210699 [0,0,1,0,0,1|2,0,0]=4 91 B12R1.51 CC=CC(=O)NCc1c[nH]cn1 240690a_100000758547_100000210699 [0,0,1,0,0,1|2,0,0]=4 92 B12R1.51 CCNC(=O)NCc1c[nH]cn1 2708a_100000758547_100015525214 [0,0,1,0,0,1|1,0,1]=4 93 B12R1.51 CCNC(=O)NCc1c[nH]cn1 2708a_100015525214_100000758547 [0,0,1,0,0,1|1,0,1]=4 94 B12R1.51 CCNC(=O)NCc1c[nH]cn1 273464a_100000758547_100015525214 [0,0,1,0,0,1|1,0,1]=4 95 B12R1.51 CCNC(=O)NCc1c[nH]cn1 273464a_100015525214_100000758547 [0,0,1,0,0,1|1,0,1]=4 96 B12R1.51 CCNC(=O)NCc1c[nH]cn1 512a_100000758547_100015525214 [0,0,1,0,0,1|1,0,1]=4 97 B12R1.51 CCNC(=O)NCc1c[nH]cn1 512a_100015525214_100000758547 [0,0,1,0,0,1|1,0,1]=4 98 B12R1.51 CNNC(=O)NCc1c[nH]cn1 273464a_100000758547_100016993582 [0,0,1,0,0,1|2,0,0]=4 99 B12R1.51 CNNC(=O)NCc1c[nH]cn1 512a_100000758547_100016993582 [0,0,1,0,0,1|2,0,0]=4 100 B12R1.51 CNNC(=O)NCc1c[nH]cn1 512a_100016993582_100000758547 [0,0,1,0,0,1|2,0,0]=4 101 B12R1.51 O=C(C=CBr)NCc1c[nH]cn1 240690a_100000758547_100016273825 [0,0,1,0,0,1|2,0,0]=4 102 B12R1.51 O=C(C=CCl)NCc1c[nH]cn1 11a_100000758547_200016279998 [0,0,1,0,0,1|2,0,0]=4 103 B12R1.51 O=C(C=CCl)NCc1c[nH]cn1 240690a_100000758547_200016279998 [0,0,1,0,0,1|2,0,0]=4 104 B12R1.54 CC(=O)NNC(=O)c1ccc[nH]1 22a_100000018271_100000070787 [0,0,1,0,0,1|2,0,0]=4 105 B12R1.54 CC(=O)NNC(=O)c1cncs1 22a_200000241815_100000070787 [0,0,1,0,0,1|2,0,0]=4 106 B12R1.54 CC(=O)NNC(=O)c1nnc[nH]1 22a_100011787719_100000070787 [0,0,1,0,0,1|2,0,0]=4