0 B13R2.328 Cc1nc(c2c(n1)CCCC2)O 271570a_203496583355_100011467566 [0,0,0,0,0,0|1,0,2]=3 1 B12R2.24 Oc1ccc2c(n1)CCCC2 271570a_203496583355_100000046135 [1,0,0,0,0,0|3,0,0]=4 2 B12R2.24 Oc1ccc2c(n1)CCNC2 271570a_203496583355_100015190003 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.24 Oc1ncc2c(n1)CCNC2 271570a_203496583355_100020629273 [1,0,0,0,0,0|2,0,1]=4 4 B12R2.1081 Oc1ncnc2c1CCCC2 271570a_203496583355_100011467579 [1,0,0,0,0,0|1,0,2]=4 5 B14R2.1019 CSc1nc(c2c(n1)CCCC2)O 271570a_203496583355_100010000299 [0,1,0,0,0,0|1,0,2]=4 6 B14R2.1146 C=Cc1nc(nc2c1CCCC2)C 271570a_100011290941_100011467566 [0,1,0,0,0,0|2,0,1]=4 7 B14R2.1146 CNc1nc(nc2c1CCCC2)C 27a_100102657272_100011467566 [0,1,0,0,0,0|2,0,1]=4 8 B14R2.1146 CSc1nc(nc2c1CCCC2)C 62a_100011467566_200000210301 [0,1,0,0,0,0|1,1,1]=4 9 B14R2.1146 CSc1nc(nc2c1CCCC2)C 62a_200000210301_100011467566 [0,1,0,0,0,0|1,1,1]=4 10 B14R2.1146 Cc1nc2c(c(n1)S[13CH3])CCCC2 62a_100011467566_200025704644 [0,1,0,0,0,0|1,1,1]=4 11 B14R2.1146 Cc1nc2c(c(n1)S[13CH3])CCCC2 62a_200025704644_100011467566 [0,1,0,0,0,0|1,1,1]=4 12 B14R2.8235 CN1CCc2[nH]c(=O)[nH]c(=O)c2C1 2230a_200020628080_200000210301 [0,1,0,0,0,0|2,0,1]=4 13 B14R2.8235 Cc1nc2c(c(=O)[nH]1)CN(CC2)C 2230a_100011218227_200000210301 [0,1,0,0,0,0|1,0,0]=2 14 B14R2.8235 Cc1nc2c(c(=O)[nH]1)CN(CC2)C 269982a_100011218227_200000210301 [0,1,0,0,0,0|1,0,0]=2 15 B14R2.8235 Cc1nc2c(c(=O)[nH]1)CN(CC2)[13CH3] 2230a_100011218227_200025704644 [0,1,0,0,0,0|1,0,0]=2 16 B14R2.8235 Cc1nc2c(c(=O)[nH]1)CN(CC2)[13CH3] 269982a_100011218227_200025704644 [0,1,0,0,0,0|1,0,0]=2 17 B14R2.8235 [13CH3]N1CCc2[nH]c(=O)[nH]c(=O)c2C1 2230a_200020628080_200025704644 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.40 CCOc1cc([nH]c(=O)c1C)C 34a_200000102746_100000210202 [0,0,1,0,0,0|3,0,0]=4 19 B12R1.40 Cc1cc(c(c(=O)[nH]1)C)OCF 34a_200000102746_100015361967 [0,0,1,0,0,0|3,0,0]=4 20 B12R1.69 CCCCc1cnc([nH]c1=O)C 271570a_100020621405_100011999157 [0,0,1,0,0,0|1,0,0]=2 21 B12R1.69 CCCCc1cnc([nH]c1=O)N 271570a_100020621405_100012456729 [0,0,1,0,0,0|2,0,0]=3 22 B12R1.69 CCCCc1cnc([nH]c1=O)O 271570a_100020621405_100011215686 [0,0,1,0,0,0|2,0,0]=3 23 B12R1.69 CCCCc1cnc(cc1C)C 271570a_100020621405_100009819613 [0,0,1,0,0,0|3,0,0]=4 24 B12R1.69 CCCCc1cnc(cc1N)C 271570a_100020621405_100009817891 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.69 CCCCc1cnc(cc1O)C 271570a_100020621405_100011016184 [0,0,1,0,0,0|2,0,1]=4 26 B12R1.69 CCCCc1cnc(nc1N)C 271570a_100020621405_100000684960 [0,0,1,0,0,0|2,0,1]=4 27 B12R1.69 CCCSc1cnc([nH]c1=O)C 62a_100000210303_100011999157 [0,0,1,0,0,0|2,0,0]=3 28 B12R1.69 CCCSc1cnc([nH]c1=O)C 62a_100011999157_100000210303 [0,0,1,0,0,0|2,0,0]=3 29 B12R1.69 CCCSc1cnc([nH]c1=O)N 62a_100012456729_100000210303 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.69 CCCSc1cnc([nH]c1=O)O 62a_100000210303_100011215686 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.69 CCNCc1c[nH]c(=O)[nH]c1=O 2230a_100015525214_100000035367 [0,0,1,0,0,0|2,0,1]=4 32 B12R1.69 CCNCc1cnc(cc1C)C 207a_100015525214_200009869383 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.69 CCNCc1cnc(cc1C)C 270004a_100015525214_200009869383 [0,0,1,0,0,0|3,0,0]=4 34 B12R1.69 CCOCc1cnc(cc1N)C 34a_200012022818_100000210202 [0,0,1,0,0,0|2,1,0]=4 35 B12R1.69 CCOCc1cnc(nc1C)C 34a_100000699490_100000210202 [0,0,1,0,0,0|1,1,1]=4 36 B12R1.69 CCOCc1cnc(nc1C)C 7a_100000699490_100000210202 [0,0,1,0,0,0|1,1,1]=4 37 B12R1.69 CCOCc1cnc(nc1N)C 7a_100000701481_100000210202 [0,0,1,0,0,0|1,1,1]=4 38 B12R1.69 CCSCc1c[nH]c(=O)[nH]c1=O 62a_100000210202_100000035367 [0,0,1,0,0,0|1,0,1]=3 39 B12R1.69 CCSCc1ccc(cc1C)C 62a_100000210202_100011219618 [0,0,1,0,0,0|3,0,0]=4 40 B12R1.69 CCSCc1ccc(cc1C)C 62a_100011219618_100000210202 [0,0,1,0,0,0|3,0,0]=4 41 B12R1.69 CCSCc1ccc(cc1Cl)C 62a_100000210202_100012349684 [0,0,1,0,0,0|3,0,0]=4 42 B12R1.69 CCSCc1ccc(cc1Cl)C 62a_100012349684_100000210202 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.69 CCSCc1ccc(cc1F)C 62a_100000210202_100011217900 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.69 CCSCc1ccc(cc1F)C 62a_100011217900_100000210202 [0,0,1,0,0,0|3,0,0]=4 45 B12R1.69 CCSCc1ccc(nc1Br)C 62a_100000210202_200010064658 [0,0,1,0,0,0|2,0,1]=4 46 B12R1.69 CCSCc1ccc(nc1Br)C 62a_200010064658_100000210202 [0,0,1,0,0,0|2,0,1]=4 47 B12R1.69 CCSCc1cnc(cc1C)F 62a_100000210202_100010382440 [0,0,1,0,0,0|3,0,0]=4 48 B12R1.69 CCSCc1cnc(cc1C)F 62a_100010382440_100000210202 [0,0,1,0,0,0|3,0,0]=4 49 B12R1.69 CCSCc1cnc(cc1Cl)Cl 62a_100000210202_100011997056 [0,0,1,0,0,0|3,0,0]=4 50 B12R1.69 CCSCc1cnc(cc1Cl)Cl 62a_100011997056_100000210202 [0,0,1,0,0,0|3,0,0]=4 51 B12R1.69 CCSCc1cnc(nc1Cl)Cl 62a_100000071240_100000210202 [0,0,1,0,0,0|2,0,1]=4 52 B12R1.69 CCSCc1cnc(nc1Cl)Cl 62a_100000210202_100000071240 [0,0,1,0,0,0|2,0,1]=4 53 B12R1.69 COCSc1cnc([nH]c1=O)C 62a_100000766300_100011999157 [0,0,1,0,0,0|3,0,0]=4 54 B12R1.69 COCSc1cnc([nH]c1=O)C 62a_100011999157_100000766300 [0,0,1,0,0,0|3,0,0]=4 55 B12R1.69 CSCSc1cnc([nH]c1=O)C 62a_100011218213_100011999157 [0,0,1,0,0,0|3,0,0]=4 56 B12R1.69 CSCSc1cnc([nH]c1=O)C 62a_100011999157_100011218213 [0,0,1,0,0,0|3,0,0]=4 57 B12R1.69 Cc1ncc(c(=O)[nH]1)SCCF 62a_100011217306_100011999157 [0,0,1,0,0,0|3,0,0]=4 58 B12R1.69 Cc1ncc(c(=O)[nH]1)SCCF 62a_100011999157_100011217306 [0,0,1,0,0,0|3,0,0]=4 59 B12R1.69 Cc1ncc(c(=O)[nH]1)SCCO 62a_100000211926_100011999157 [0,0,1,0,0,0|3,0,0]=4 60 B12R1.69 Cc1ncc(c(=O)[nH]1)SCCO 62a_100011999157_100000211926 [0,0,1,0,0,0|3,0,0]=4 61 B12R1.69 O=c1[nH]cc(c(=O)[nH]1)CSCF 62a_100015361967_100000035367 [0,0,1,0,0,0|2,0,1]=4 62 B12R1.100 CCCCc1cc(=O)[nH]c(=O)[nH]1 271570a_100020621405_100000015670 [0,0,1,0,0,0|2,0,1]=4 63 B12R1.100 CCCCc1cc([nH]c(=O)c1)C 271570a_100020621405_100009861981 [0,0,1,0,0,0|2,0,0]=3 64 B12R1.100 CCCCc1cc(cc(n1)C)C 271570a_100020621405_100000069240 [0,0,1,0,0,0|3,0,0]=4 65 B12R1.100 CCCCc1cc(nc(n1)C)C 271570a_100020621405_100000736142 [0,0,1,0,0,0|2,0,1]=4 66 B12R1.100 CCCCc1cc(nc(n1)C)N 271570a_100020621405_100012178882 [0,0,1,0,0,0|2,0,1]=4 67 B12R1.100 CCCCc1cc(nc(n1)C)O 271570a_100020621405_106741647437 [0,0,1,0,0,0|1,0,2]=4 68 B12R1.100 CCCOc1cc([nH]c(=O)c1)C 34a_100000039070_100000210303 [0,0,1,0,0,0|3,0,0]=4 69 B12R1.100 CCCSc1cc([nH]c(=O)c1)C 62a_100000210303_100009861981 [0,0,1,0,0,0|3,0,0]=4 70 B12R1.100 CCCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000210303 [0,0,1,0,0,0|3,0,0]=4 71 B12R1.100 CCNCc1cc(=O)[nH]c(n1)O 2230a_100015525214_100000185147 [0,0,1,0,0,0|3,0,0]=4 72 B12R1.100 CCOCc1cc(=O)[nH]c(n1)O 34a_100121572206_100000185147 [0,0,1,0,0,0|3,0,0]=4 73 B12R1.100 CCSCc1cc(=O)[nH]c(n1)O 62a_100000210202_100000185147 [0,0,1,0,0,0|3,0,0]=4 74 B12R1.100 COCSc1cc([nH]c(=O)c1)C 62a_100000766300_100009861981 [0,0,1,0,0,0|2,1,0]=4 75 B12R1.100 COCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000766300 [0,0,1,0,0,0|2,1,0]=4 76 B12R1.100 CSCOc1cc(=O)cc(o1)C 34a_100016989201_100011218213 [0,0,1,0,0,0|3,0,0]=4 77 B12R1.100 CSCOc1cc([nH]c(=O)c1)C 34a_100000039070_100011218213 [0,0,1,0,0,0|2,0,0]=3 78 B12R1.100 CSCOc1cc(oc(=O)c1)C 34a_100000210952_100011218213 [0,0,1,0,0,0|3,0,0]=4 79 B12R1.100 CSCSc1cc(=O)[nH]c(=O)[nH]1 62a_100011218213_100000015670 [0,0,1,0,0,0|2,0,1]=4 80 B12R1.100 CSCSc1cc([nH]c(=O)c1)C 62a_100009861981_100011218213 [0,0,1,0,0,0|2,0,0]=3 81 B12R1.100 CSCSc1cc([nH]c(=O)c1)C 62a_100011218213_100009861981 [0,0,1,0,0,0|2,0,0]=3 82 B12R1.100 CSCSc1cc(cc(n1)C)C 62a_100000069240_100011218213 [0,0,1,0,0,0|3,0,0]=4 83 B12R1.100 CSCSc1cc(cc(n1)C)C 62a_100011218213_100000069240 [0,0,1,0,0,0|3,0,0]=4 84 B12R1.100 CSCSc1cc(cc(n1)C)N 62a_100000071261_100011218213 [0,0,1,0,0,0|3,0,0]=4 85 B12R1.100 CSCSc1cc(cc(n1)C)N 62a_100011218213_100000071261 [0,0,1,0,0,0|3,0,0]=4 86 B12R1.100 CSCSc1cc(nc(n1)C)C 62a_100000736142_100011218213 [0,0,1,0,0,0|2,0,1]=4 87 B12R1.100 CSCSc1cc(nc(n1)C)C 62a_100011218213_100000736142 [0,0,1,0,0,0|2,0,1]=4 88 B12R1.100 CSCSc1cc(nc(n1)C)N 62a_100000761517_100011218213 [0,0,1,0,0,0|2,0,1]=4 89 B12R1.100 CSCSc1cc(nc(n1)C)N 62a_100011218213_100000761517 [0,0,1,0,0,0|2,0,1]=4 90 B12R1.100 CSCSc1cc(nc(n1)C)O 62a_100011218213_106741647437 [0,0,1,0,0,0|1,0,2]=4 91 B12R1.107 C=C(C)CC(=O)C1=CCCCC1 1458a_100000765259_100000748629 [0,0,1,0,0,0|3,0,0]=4 92 B12R1.107 CC(C)NC(=O)C1=CCCCC1 11a_100138425928_100000765259 [0,0,1,0,0,0|2,0,1]=4 93 B12R1.107 CC(C)NC(=O)C1=CCCCC1 1626a_100138425928_100000765259 [0,0,1,0,0,0|2,0,1]=4 94 B12R1.107 CC(C)NC(=O)C1=CCCCC1 240690a_100138425928_100000765259 [0,0,1,0,0,0|2,0,1]=4 95 B12R1.107 CC(C)NC(=O)C1=CCCCC1 527a_100138425928_100000765259 [0,0,1,0,0,0|2,0,1]=4 96 B12R1.1095 CC=Cc1c(nc([nH]c1=O)O)C 271570a_100016259895_100000187651 [0,0,1,0,0,0|2,0,1]=4 97 B12R1.1095 CCNc1c(nc([nH]c1=O)O)C 27a_100015525214_100000187651 [0,0,1,0,0,0|3,0,0]=4 98 B12R1.1095 CCSc1c(nc([nH]c1=O)C)O 62a_100000210202_100012339546 [0,0,1,0,0,0|3,0,0]=4 99 B12R1.1095 CCSc1c(nc([nH]c1=O)O)C 62a_100000210202_100000187651 [0,0,1,0,0,0|3,0,0]=4 100 B12R1.1095 CSCc1c(cc(cc1C)C)C 62a_100000749405_200000210301 [0,0,1,0,0,0|3,0,0]=4 101 B12R1.1095 CSCc1c(cc(cc1C)C)C 62a_200000210301_100000749405 [0,0,1,0,0,0|3,0,0]=4 102 B12R1.1095 Cc1cc(c(c(c1)C)CS[13CH3])C 62a_100000749405_200025704644 [0,0,1,0,0,0|3,0,0]=4 103 B12R1.1095 Cc1cc(c(c(c1)C)CS[13CH3])C 62a_200025704644_100000749405 [0,0,1,0,0,0|3,0,0]=4 104 B12R2.246 Cc1nc(c2c(n1)CCC2)O 271570a_203496583355_100011240833 [0,0,0,0,1,0|0,0,2]=3 105 B12R2.246 Nc1nc(nc2c1CCC2)O 271570a_203496583355_100000107085 [0,0,0,0,1,0|2,0,1]=4 106 B11R1.8 COc1cc([nH]c(=O)c1C)C 34a_200000102746_200000210301 [1,0,1,0,0,0|2,0,0]=4 107 B11R1.8 Cc1cc(c(c(=O)[nH]1)C)O[13CH3] 34a_200000102746_200025704644 [1,0,1,0,0,0|2,0,0]=4 108 B11R1.34 CCNc1cc([nH]c(=O)c1)C 27a_100015525214_100009861981 [1,0,1,0,0,0|2,0,0]=4 109 B11R1.34 CCOc1cc([nH]c(=O)c1)C 34a_100000039070_100000210202 [1,0,1,0,0,0|2,0,0]=4 110 B11R1.34 CCSc1cc([nH]c(=O)c1)C 62a_100000210202_100009861981 [1,0,1,0,0,0|2,0,0]=4 111 B11R1.34 CCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000210202 [1,0,1,0,0,0|2,0,0]=4 112 B11R1.34 CNCc1cc(=O)[nH]c(n1)O 2230a_106832991635_100000185147 [1,0,1,0,0,0|2,0,0]=4 113 B11R1.34 CNCc1cc(=O)[nH]c(n1)O 34a_100102657272_100000185147 [1,0,1,0,0,0|2,0,0]=4 114 B11R1.34 CNCc1cc(=O)[nH]c(n1)O 7a_106832991635_100000185147 [1,0,1,0,0,0|2,0,0]=4 115 B11R1.34 COCc1cc(=O)[nH]c(n1)O 34a_100138415774_100000185147 [1,0,1,0,0,0|1,1,0]=4 116 B11R1.34 CSCc1cc(=O)[nH]c(n1)O 62a_200000210301_100000185147 [1,0,1,0,0,0|1,0,0]=3 117 B11R1.34 CSCc1cc(cc(n1)C)C 62a_100012357514_200000210301 [1,0,1,0,0,0|2,0,0]=4 118 B11R1.34 CSCc1cc(cc(n1)C)C 62a_200000210301_100012357514 [1,0,1,0,0,0|2,0,0]=4 119 B11R1.34 Cc1cc(nc(c1)CS[13CH3])C 62a_100012357514_200025704644 [1,0,1,0,0,0|2,0,0]=4 120 B11R1.34 Cc1cc(nc(c1)CS[13CH3])C 62a_200025704644_100012357514 [1,0,1,0,0,0|2,0,0]=4 121 B11R1.34 [13CH3]SCc1cc(=O)[nH]c(n1)O 62a_200025704644_100000185147 [1,0,1,0,0,0|1,0,0]=3 122 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [1,0,1,0,0,0|2,0,0]=4 123 B11R1.1 CCCCc1cnc(=O)[nH]c1 271570a_100020621405_102495366499 [1,0,1,0,0,0|2,0,0]=4 124 B11R1.1 CCCCc1cnc(nc1)C 271570a_100020621405_100000686985 [1,0,1,0,0,0|1,0,1]=4 125 B11R1.1 CCNCc1ccc(nc1)C 2230a_100015525214_100016987292 [1,0,1,0,0,0|2,0,0]=4 126 B11R1.1 CCNCc1ccc(nc1)C 270004a_100015525214_100000743784 [1,0,1,0,0,0|2,0,0]=4 127 B11R1.1 CCNCc1ccc(nc1)C 34a_100000740942_100000210202 [1,0,1,0,0,0|2,0,0]=4 128 B11R1.1 CCNCc1cnc(nc1)C 270004a_100015525214_100011202771 [1,0,1,0,0,0|1,0,1]=4 129 B11R1.1 CCOCc1ccc(nc1)C 34a_100011248133_100000210202 [1,0,1,0,0,0|1,1,0]=4 130 B11R1.1 CCOCc1ccc(nc1)C 34a_100121572206_100016987292 [1,0,1,0,0,0|1,1,0]=4 131 B11R1.1 CCOCc1cnc(nc1)C 34a_100011746891_100000210202 [1,0,1,0,0,0|0,1,1]=4 132 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [1,0,1,0,0,0|2,0,0]=4 133 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [1,0,1,0,0,0|2,0,0]=4 134 B11R1.1 CCSCc1ccc(nc1)Br 62a_100000210202_100009831999 [1,0,1,0,0,0|2,0,0]=4 135 B11R1.1 CCSCc1ccc(nc1)Br 62a_100009831999_100000210202 [1,0,1,0,0,0|2,0,0]=4 136 B11R1.1 CCSCc1ccc(nc1)C 62a_100000210202_100016987292 [1,0,1,0,0,0|1,0,0]=3 137 B11R1.1 CCSCc1ccc(nc1)C 62a_100016987292_100000210202 [1,0,1,0,0,0|1,0,0]=3 138 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000210202_100000735431 [1,0,1,0,0,0|2,0,0]=4 139 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000735431_100000210202 [1,0,1,0,0,0|2,0,0]=4 140 B11R1.1 CCSCc1ccc(nc1)F 62a_100000210202_100000099788 [1,0,1,0,0,0|2,0,0]=4 141 B11R1.1 CCSCc1ccc(nc1)F 62a_100009820150_100000210202 [1,0,1,0,0,0|2,0,0]=4 142 B11R1.1 CCSCc1cnc(cn1)C 62a_100000210202_100000752025 [1,0,1,0,0,0|2,0,0]=4 143 B11R1.1 CCSCc1cnc(cn1)C 62a_100000752025_100000210202 [1,0,1,0,0,0|2,0,0]=4 144 B11R1.1 Cc1ccc(cn1)CSCF 62a_100015361967_100016987292 [1,0,1,0,0,0|2,0,0]=4 145 B11R1.1 Cc1ccc(cn1)CSCF 62a_100016987292_100015361967 [1,0,1,0,0,0|2,0,0]=4 146 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [1,0,1,0,0,0|2,0,0]=4 147 B11R1.17 CCSCc1cnccc1C 62a_100000210202_100000690890 [1,0,1,0,0,0|2,0,0]=4 148 B11R1.17 CCSCc1cnccc1C 62a_100000690890_100000210202 [1,0,1,0,0,0|2,0,0]=4 149 B11R1.81 CC=Cc1cnc([nH]c1=O)C 271570a_100016259895_100011999157 [1,0,1,0,0,0|0,0,2]=4 150 B11R1.81 CCCc1cnc(nc1O)C 271570a_203496583355_200000069602 [1,0,1,0,0,0|0,0,2]=4 151 B11R1.81 CCSc1cnc(=O)[nH]c1N 62a_100000210202_100000708077 [1,0,1,0,0,0|2,0,0]=4 152 B11R1.81 CCSc1cnc(=O)[nH]c1N 62a_100000708077_100000210202 [1,0,1,0,0,0|2,0,0]=4 153 B11R1.81 CCSc1cnc([nH]c1=O)C 62a_100000210202_100011999157 [1,0,1,0,0,0|0,0,0]=2 154 B11R1.81 CCSc1cnc([nH]c1=O)C 62a_100011999157_100000210202 [1,0,1,0,0,0|0,0,0]=2 155 B11R1.81 CCSc1cnc([nH]c1=O)N 62a_100012456729_100000210202 [1,0,1,0,0,0|1,0,0]=3 156 B11R1.81 CCSc1cnc([nH]c1=O)O 62a_100000210202_100011215686 [1,0,1,0,0,0|1,0,0]=3 157 B11R1.81 CCSc1cnc(cc1C)C 62a_100000210202_100009819613 [1,0,1,0,0,0|2,0,0]=4 158 B11R1.81 CCSc1cnc(cc1C)C 62a_100009819613_100000210202 [1,0,1,0,0,0|2,0,0]=4 159 B11R1.81 CCSc1cnc(cc1N)C 62a_100000210202_100009817891 [1,0,1,0,0,0|2,0,0]=4 160 B11R1.81 CCSc1cnc(cc1N)C 62a_100009817891_100000210202 [1,0,1,0,0,0|2,0,0]=4 161 B11R1.81 CCSc1cnc(cc1O)C 62a_100000210202_100011016184 [1,0,1,0,0,0|1,0,1]=4 162 B11R1.81 CCSc1cnc(cc1O)C 62a_100011016184_100000210202 [1,0,1,0,0,0|1,0,1]=4 163 B11R1.81 CCSc1cnc(nc1N)C 62a_100000210202_100000684960 [1,0,1,0,0,0|1,0,1]=4 164 B11R1.81 CCSc1cnc(nc1N)C 62a_100000684960_100000210202 [1,0,1,0,0,0|1,0,1]=4 165 B11R1.81 CNCc1ccc(nc1C)C 207a_100102657272_100011794427 [1,0,1,0,0,0|2,0,0]=4 166 B11R1.81 CNCc1ccc(nc1C)C 270004a_106832991635_100011794427 [1,0,1,0,0,0|2,0,0]=4 167 B11R1.81 COCc1ccc(nc1C)C 34a_100011756430_200000210301 [1,0,1,0,0,0|1,1,0]=4 168 B11R1.81 COCc1ccc(nc1C)C 7a_100011756430_200000210301 [1,0,1,0,0,0|1,1,0]=4 169 B11R1.81 COCc1cnc(nc1C)C 34a_100000699490_200000210301 [1,0,1,0,0,0|0,1,1]=4 170 B11R1.81 COCc1cnc(nc1C)C 7a_100000699490_200000210301 [1,0,1,0,0,0|0,1,1]=4 171 B11R1.81 CSCc1c[nH]c(=O)[nH]c1=O 62a_200000210301_100000035367 [1,0,1,0,0,0|1,0,1]=4 172 B11R1.81 CSCc1ccc(cc1C)C 62a_100011219618_200000210301 [1,0,1,0,0,0|2,0,0]=4 173 B11R1.81 CSCc1ccc(cc1C)C 62a_200000210301_100011219618 [1,0,1,0,0,0|2,0,0]=4 174 B11R1.81 CSCc1ccc(nc1Br)C 62a_200000210301_200010064658 [1,0,1,0,0,0|2,0,0]=4 175 B11R1.81 CSCc1ccc(nc1Br)C 62a_200010064658_200000210301 [1,0,1,0,0,0|2,0,0]=4 176 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_100011219618_200025704644 [1,0,1,0,0,0|2,0,0]=4 177 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_200025704644_100011219618 [1,0,1,0,0,0|2,0,0]=4 178 B11R1.81 Cc1ccc(c(n1)Br)CS[13CH3] 62a_200010064658_200025704644 [1,0,1,0,0,0|2,0,0]=4 179 B11R1.81 Cc1ccc(c(n1)Br)CS[13CH3] 62a_200025704644_200010064658 [1,0,1,0,0,0|2,0,0]=4 180 B11R1.81 Cc1ccc(c(n1)C)CO[13CH3] 34a_100011756430_200025704644 [1,0,1,0,0,0|1,1,0]=4 181 B11R1.81 Cc1ccc(c(n1)C)CO[13CH3] 7a_100011756430_200025704644 [1,0,1,0,0,0|1,1,0]=4 182 B11R1.81 Cc1ncc(c(=O)[nH]1)SCF 62a_100011999157_100015361967 [1,0,1,0,0,0|1,0,0]=3 183 B11R1.81 Cc1ncc(c(=O)[nH]1)SCF 62a_100015361967_100011999157 [1,0,1,0,0,0|1,0,0]=3 184 B11R1.81 Cc1ncc(c(n1)C)CO[13CH3] 34a_100000699490_200025704644 [1,0,1,0,0,0|0,1,1]=4 185 B11R1.81 Cc1ncc(c(n1)C)CO[13CH3] 7a_100000699490_200025704644 [1,0,1,0,0,0|0,1,1]=4 186 B11R1.81 Nc1ncc(c(=O)[nH]1)SCF 62a_100012456729_100015361967 [1,0,1,0,0,0|2,0,0]=4 187 B11R1.81 O=c1[nH]c(ncc1SCF)O 62a_100015361967_100011215686 [1,0,1,0,0,0|2,0,0]=4 188 B11R1.81 [13CH3]SCc1c[nH]c(=O)[nH]c1=O 62a_200025704644_100000035367 [1,0,1,0,0,0|1,0,1]=4 189 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [1,0,1,0,0,0|2,0,0]=4 190 B11R1.24 CCCCc1cc[nH]c(=O)n1 271570a_100020621405_200000134032 [1,0,1,0,0,0|2,0,0]=4 191 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [1,0,1,0,0,0|2,0,0]=4 192 B11R1.24 CCCCc1ccnc(n1)C 271570a_100020621405_100000749937 [1,0,1,0,0,0|1,0,1]=4 193 B11R1.24 CCCSc1cc(=O)[nH]cn1 62a_100012002517_100000210303 [1,0,1,0,0,0|2,0,0]=4 194 B11R1.24 CNCCc1cccc(n1)C 2230a_100011824523_200000210301 [1,0,1,0,0,0|2,0,0]=4 195 B11R1.24 CNCCc1cccc(n1)C 34a_100011824523_200000210301 [1,0,1,0,0,0|2,0,0]=4 196 B11R1.24 COCSc1cc(=O)[nH]cn1 62a_100012002517_100000766300 [1,0,1,0,0,0|1,1,0]=4 197 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [1,0,1,0,0,0|2,0,0]=4 198 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [1,0,1,0,0,0|2,0,0]=4 199 B11R1.24 CSCOc1cc[nH]c(=O)c1 34a_100000032262_100011218213 [1,0,1,0,0,0|2,0,0]=4 200 B11R1.24 CSCSc1cc(=O)[nH]cn1 62a_100012002517_100011218213 [1,0,1,0,0,0|1,0,0]=3 201 B11R1.24 CSCSc1cc[nH]c(=O)c1 62a_100009816521_100011218213 [1,0,1,0,0,0|2,0,0]=4 202 B11R1.24 CSCSc1cc[nH]c(=O)c1 62a_100011218213_100009816521 [1,0,1,0,0,0|2,0,0]=4 203 B11R1.24 CSCSc1cc[nH]c(=O)n1 62a_100011218213_200000134032 [1,0,1,0,0,0|2,0,0]=4 204 B11R1.24 CSCSc1cccc(n1)C 62a_100000742759_100011218213 [1,0,1,0,0,0|2,0,0]=4 205 B11R1.24 CSCSc1cccc(n1)C 62a_100011218213_100000742759 [1,0,1,0,0,0|2,0,0]=4 206 B11R1.24 CSCSc1ccnc(n1)C 62a_100000749937_100011218213 [1,0,1,0,0,0|1,0,1]=4 207 B11R1.24 CSCSc1ccnc(n1)C 62a_100011218213_100000749937 [1,0,1,0,0,0|1,0,1]=4 208 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [1,0,1,0,0,0|2,0,0]=4 209 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [1,0,1,0,0,0|2,0,0]=4 210 B11R1.24 Cc1cccc(n1)CCN[13CH3] 2230a_100011824523_200025704644 [1,0,1,0,0,0|2,0,0]=4 211 B11R1.24 Cc1cccc(n1)CCN[13CH3] 34a_100011824523_200025704644 [1,0,1,0,0,0|2,0,0]=4 212 B11R1.16 CCNC(=O)C1=CCCCC1 11a_100015525214_100000765259 [1,0,1,0,0,0|1,0,1]=4 213 B11R1.16 CCNC(=O)C1=CCCCC1 240690a_100015525214_100000765259 [1,0,1,0,0,0|1,0,1]=4 214 B11R1.16 CCNC(=O)C1=CCCCC1 527a_100015525214_100000765259 [1,0,1,0,0,0|1,0,1]=4 215 B11R1.16 CNNC(=O)C1=CCCCC1 22a_100016993582_100000765259 [1,0,1,0,0,0|2,0,0]=4 216 B11R1.464 CNc1c(nc([nH]c1=O)O)C 27a_100102657272_100000187651 [1,0,1,0,0,0|2,0,0]=4 217 B11R1.464 CSc1c(cc(nc1C)C)N 62a_100010261885_200000210301 [1,0,1,0,0,0|2,0,0]=4 218 B11R1.464 CSc1c(cc(nc1C)C)N 62a_200000210301_100010261885 [1,0,1,0,0,0|2,0,0]=4 219 B11R1.464 CSc1c(nc([nH]c1=O)C)O 62a_200000210301_100012339546 [1,0,1,0,0,0|1,0,0]=3 220 B11R1.464 CSc1c(nc([nH]c1=O)O)C 62a_200000210301_100000187651 [1,0,1,0,0,0|1,0,0]=3 221 B11R1.464 CSc1c(nc(nc1Cl)C)C 62a_200000210301_200011356833 [1,0,1,0,0,0|1,0,1]=4 222 B11R1.464 CSc1c(nc(nc1Cl)C)C 62a_200011356833_200000210301 [1,0,1,0,0,0|1,0,1]=4 223 B11R1.464 Cc1cc(c(c(n1)C)S[13CH3])N 62a_100010261885_200025704644 [1,0,1,0,0,0|2,0,0]=4 224 B11R1.464 Cc1cc(c(c(n1)C)S[13CH3])N 62a_200025704644_100010261885 [1,0,1,0,0,0|2,0,0]=4 225 B11R1.464 Cc1nc([nH]c(=O)c1S[13CH3])O 62a_200025704644_100000187651 [1,0,1,0,0,0|1,0,0]=3 226 B11R1.464 Cc1nc(c(c(=O)[nH]1)S[13CH3])O 62a_200025704644_100012339546 [1,0,1,0,0,0|1,0,0]=3 227 B11R1.464 Cc1nc(c(c(n1)Cl)S[13CH3])C 62a_200011356833_200025704644 [1,0,1,0,0,0|1,0,1]=4 228 B11R1.464 Cc1nc(c(c(n1)Cl)S[13CH3])C 62a_200025704644_200011356833 [1,0,1,0,0,0|1,0,1]=4 229 B11R1.605 CC=Cc1c(nc[nH]c1=O)C 271570a_100016259895_100011356812 [1,0,1,0,0,0|1,0,1]=4 230 B11R1.605 CCSc1c(nc[nH]c1=O)C 62a_100000210202_100011356812 [1,0,1,0,0,0|2,0,0]=4 231 B11R1.605 CCSc1c(nc[nH]c1=O)C 62a_100011356812_100000210202 [1,0,1,0,0,0|2,0,0]=4 232 B13R1.123 CCCOc1cc([nH]c(=O)c1C)C 34a_200000102746_100000210303 [0,1,1,0,0,0|2,0,0]=4 233 B13R1.123 CSCOc1cc([nH]c(=O)c1C)C 34a_200000102746_100011218213 [0,1,1,0,0,0|2,0,0]=4 234 B13R1.123 Cc1cc(c(c(=O)[nH]1)C)OCCF 34a_200000102746_100011217306 [0,1,1,0,0,0|2,0,0]=4 235 B13R1.123 Cc1cc(c(c(=O)[nH]1)C)OCCO 34a_200000102746_100000211926 [0,1,1,0,0,0|1,1,0]=4 236 B13R1.164 CC(C)SCc1c[nH]c(=O)[nH]c1=O 62a_100000210206_100000035367 [0,1,1,0,0,0|1,0,1]=4 237 B13R1.164 Cc1ncc(c(=O)[nH]1)C=CC(C)C 271570a_100016257149_100011999157 [0,1,1,0,0,0|1,0,1]=4 238 B13R1.164 Cc1ncc(c(=O)[nH]1)C=CC(C)O 271570a_200011019289_100011999157 [0,1,1,0,0,0|1,0,1]=4 239 B13R1.164 Cc1ncc(c(=O)[nH]1)SCC(C)C 62a_100000210624_100011999157 [0,1,1,0,0,0|2,0,0]=4 240 B13R1.164 Cc1ncc(c(=O)[nH]1)SCC(C)C 62a_100011999157_100000210760 [0,1,1,0,0,0|2,0,0]=4 241 B13R1.164 Cc1ncc(c(=O)[nH]1)SCC(C)O 62a_100011218427_100011999157 [0,1,1,0,0,0|2,0,0]=4 242 B13R1.164 Cc1ncc(c(=O)[nH]1)SCC(C)O 62a_100011999157_100011218427 [0,1,1,0,0,0|2,0,0]=4 243 B13R1.164 Cc1ncc(c(=O)[nH]1)SC[C@@H](C)O 62a_100009817552_100011999157 [0,1,1,0,0,0|2,0,0]=4 244 B13R1.164 Cc1ncc(c(=O)[nH]1)SC[C@@H](C)O 62a_100011999157_100009817552 [0,1,1,0,0,0|2,0,0]=4 245 B13R1.369 C/C=C/CSc1cnc([nH]c1=O)C 62a_100011999157_100102629194 [0,1,1,0,0,0|1,0,1]=4 246 B13R1.369 C/C=C/CSc1cnc([nH]c1=O)C 62a_100102629194_100011999157 [0,1,1,0,0,0|1,0,1]=4 247 B13R1.369 CC#CCSc1cnc([nH]c1=O)C 62a_100000748600_100011999157 [0,1,1,0,0,0|1,0,1]=4 248 B13R1.369 CC#CCSc1cnc([nH]c1=O)C 62a_100011999157_100000748600 [0,1,1,0,0,0|1,0,1]=4 249 B13R1.369 CC=CCSc1cnc([nH]c1=O)C 62a_100000070051_100011999157 [0,1,1,0,0,0|1,0,1]=4 250 B13R1.369 CC=CCSc1cnc([nH]c1=O)C 62a_100011999157_100000070051 [0,1,1,0,0,0|1,0,1]=4 251 B13R1.369 CCCC=Cc1cnc([nH]c1=O)C 271570a_100016258520_100011999157 [0,1,1,0,0,0|1,0,1]=4 252 B13R1.369 CCCCSc1cnc([nH]c1=O)C 62a_100000210211_100011999157 [0,1,1,0,0,0|1,0,0]=3 253 B13R1.369 CCCCSc1cnc([nH]c1=O)C 62a_100011999157_100000210210 [0,1,1,0,0,0|1,0,0]=3 254 B13R1.369 CCCCSc1cnc([nH]c1=O)N 62a_100012456729_100000210210 [0,1,1,0,0,0|2,0,0]=4 255 B13R1.369 CCCCSc1cnc([nH]c1=O)O 62a_100000210211_100011215686 [0,1,1,0,0,0|2,0,0]=4 256 B13R1.369 CCCSCc1c[nH]c(=O)[nH]c1=O 62a_100000210303_100000035367 [0,1,1,0,0,0|1,0,1]=4 257 B13R1.369 CCOC=Cc1cnc([nH]c1=O)C 271570a_100016256518_100011999157 [0,1,1,0,0,0|0,1,1]=4 258 B13R1.369 CCOCSc1cnc([nH]c1=O)C 62a_100000739092_100011999157 [0,1,1,0,0,0|0,1,0]=3 259 B13R1.369 CCOCSc1cnc([nH]c1=O)C 62a_100011999157_100000739092 [0,1,1,0,0,0|0,1,0]=3 260 B13R1.369 CCOCSc1cnc([nH]c1=O)N 62a_100012456729_100000739092 [0,1,1,0,0,0|1,1,0]=4 261 B13R1.369 CCOCSc1cnc([nH]c1=O)O 62a_100000739092_100011215686 [0,1,1,0,0,0|1,1,0]=4 262 B13R1.369 COCC=Cc1cnc([nH]c1=O)C 271570a_100016286323_100011999157 [0,1,1,0,0,0|1,0,1]=4 263 B13R1.369 COCCSc1cnc([nH]c1=O)C 62a_100000233755_100011999157 [0,1,1,0,0,0|2,0,0]=4 264 B13R1.369 COCCSc1cnc([nH]c1=O)C 62a_100011999157_100000233755 [0,1,1,0,0,0|2,0,0]=4 265 B13R1.369 COCSCc1c[nH]c(=O)[nH]c1=O 62a_100000766300_100000035367 [0,1,1,0,0,0|1,0,1]=4 266 B13R1.369 CSCCSc1cnc([nH]c1=O)C 62a_100000212216_100011999157 [0,1,1,0,0,0|2,0,0]=4 267 B13R1.369 CSCCSc1cnc([nH]c1=O)C 62a_100011999157_100000751147 [0,1,1,0,0,0|2,0,0]=4 268 B13R1.369 CSCSCc1c[nH]c(=O)[nH]c1=O 62a_100011218213_100000035367 [0,1,1,0,0,0|1,0,1]=4 269 B13R1.369 Cc1ncc(c(=O)[nH]1)SCCCF 62a_100011934791_100011999157 [0,1,1,0,0,0|2,0,0]=4 270 B13R1.369 Cc1ncc(c(=O)[nH]1)SCCCF 62a_100011999157_100011934791 [0,1,1,0,0,0|2,0,0]=4 271 B13R1.369 Cc1ncc(c(=O)[nH]1)SCCCO 62a_100011215043_100011999157 [0,1,1,0,0,0|2,0,0]=4 272 B13R1.369 Cc1ncc(c(=O)[nH]1)SCCCO 62a_100011999157_100011215043 [0,1,1,0,0,0|2,0,0]=4 273 B13R1.369 Cc1ncc(c(=O)[nH]1)SCSC#N 62a_100000211825_100011999157 [0,1,1,0,0,0|1,0,1]=4 274 B13R1.369 Cc1ncc(c(=O)[nH]1)SCSC#N 62a_100011999157_100000211825 [0,1,1,0,0,0|1,0,1]=4 275 B13R1.369 O=c1[nH]cc(c(=O)[nH]1)CSCCF 62a_100011217306_100000035367 [0,1,1,0,0,0|1,0,1]=4 276 B13R1.369 O=c1[nH]cc(c(=O)[nH]1)CSCCO 62a_100000211926_100000035367 [0,1,1,0,0,0|1,0,1]=4 277 B13R1.1601 CCCCc1c(nc([nH]c1=O)O)C 271570a_100020621405_100000187651 [0,1,1,0,0,0|2,0,0]=4 278 B13R1.1601 CCCSc1c(nc([nH]c1=O)C)O 62a_100000210303_100012339546 [0,1,1,0,0,0|2,0,0]=4 279 B13R1.1630 CCCCc1cc(c([nH]c1=O)C)C 271570a_100020621405_100010064231 [0,1,1,0,0,0|2,0,0]=4 280 B13R1.2679 CCC(C)Sc1cnc([nH]c1=O)C 62a_100000758301_100011999157 [0,1,1,0,0,0|2,0,0]=4 281 B13R1.2679 CCC(C)Sc1cnc([nH]c1=O)C 62a_100011999157_100000758301 [0,1,1,0,0,0|2,0,0]=4 282 B13R1.3518 CCCCc1cnc(n(c1=O)C)Cl 271570a_100020621405_102125712900 [0,1,1,0,0,0|2,0,0]=4 283 B13R1.55 CCCCNc1cc([nH]c(=O)c1)C 27a_100000102301_100009861981 [0,1,1,0,0,0|2,0,0]=4 284 B13R1.55 CCCCOc1cc([nH]c(=O)c1)C 34a_100000039070_100000210210 [0,1,1,0,0,0|2,0,0]=4 285 B13R1.55 CCCCSc1cc([nH]c(=O)c1)C 62a_100000210211_100009861981 [0,1,1,0,0,0|2,0,0]=4 286 B13R1.55 CCCCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000210210 [0,1,1,0,0,0|2,0,0]=4 287 B13R1.55 CCCOCc1cc(=O)[nH]c(n1)O 34a_100000210258_100000185147 [0,1,1,0,0,0|2,0,0]=4 288 B13R1.55 CCCSCc1cc(=O)[nH]c(n1)O 62a_100000210303_100000185147 [0,1,1,0,0,0|2,0,0]=4 289 B13R1.55 COCCNc1cc([nH]c(=O)c1)C 27a_100000209980_100009861981 [0,1,1,0,0,0|1,1,0]=4 290 B13R1.55 COCCOc1cc([nH]c(=O)c1)C 34a_100000039070_100011201679 [0,1,1,0,0,0|1,1,0]=4 291 B13R1.55 COCCSc1cc([nH]c(=O)c1)C 62a_100000233755_100009861981 [0,1,1,0,0,0|1,1,0]=4 292 B13R1.55 COCCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000233755 [0,1,1,0,0,0|1,1,0]=4 293 B13R1.55 COCSCc1cc(=O)[nH]c(n1)O 62a_100000766300_100000185147 [0,1,1,0,0,0|1,1,0]=4 294 B13R1.55 CSCCNc1cc(=O)[nH]c(=O)[nH]1 27a_100020590264_100000015670 [0,1,1,0,0,0|1,0,1]=4 295 B13R1.55 CSCCNc1cc([nH]c(=O)c1)C 27a_100020590264_100009861981 [0,1,1,0,0,0|1,0,0]=3 296 B13R1.55 CSCCNc1cc(cc(n1)C)C 27a_100020590264_100000069240 [0,1,1,0,0,0|2,0,0]=4 297 B13R1.55 CSCCNc1cc(nc(n1)C)C 27a_100020590264_100000736142 [0,1,1,0,0,0|1,0,1]=4 298 B13R1.55 CSCCNc1cc(nc(n1)C)N 27a_100020590264_100000761517 [0,1,1,0,0,0|1,0,1]=4 299 B13R1.55 CSCCNc1cc(nc(n1)C)O 27a_100020590264_106741647437 [0,1,1,0,0,0|0,0,2]=4 300 B13R1.55 CSCCOc1cc(=O)cc(o1)C 34a_100016989201_100000212216 [0,1,1,0,0,0|2,0,0]=4 301 B13R1.55 CSCCOc1cc([nH]c(=O)c1)C 34a_100000039070_100000212216 [0,1,1,0,0,0|1,0,0]=3 302 B13R1.55 CSCCOc1cc(oc(=O)c1)C 34a_100000210952_100000212216 [0,1,1,0,0,0|2,0,0]=4 303 B13R1.55 CSCCOc1cc(oc(=O)c1)C 7a_100000210952_100000212216 [0,1,1,0,0,0|2,0,0]=4 304 B13R1.55 CSCCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000212216_100000015670 [0,1,1,0,0,0|1,0,1]=4 305 B13R1.55 CSCCSc1cc([nH]c(=O)c1)C 62a_100000212216_100009861981 [0,1,1,0,0,0|1,0,0]=3 306 B13R1.55 CSCCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000751147 [0,1,1,0,0,0|1,0,0]=3 307 B13R1.55 CSCCSc1cc(cc(n1)C)C 62a_100000069240_100000751147 [0,1,1,0,0,0|2,0,0]=4 308 B13R1.55 CSCCSc1cc(cc(n1)C)C 62a_100000212216_100000069240 [0,1,1,0,0,0|2,0,0]=4 309 B13R1.55 CSCCSc1cc(cc(n1)C)N 62a_100000071261_100000751147 [0,1,1,0,0,0|2,0,0]=4 310 B13R1.55 CSCCSc1cc(cc(n1)C)N 62a_100000212216_100000071261 [0,1,1,0,0,0|2,0,0]=4 311 B13R1.55 CSCCSc1cc(nc(n1)C)C 62a_100000212216_100000736142 [0,1,1,0,0,0|1,0,1]=4 312 B13R1.55 CSCCSc1cc(nc(n1)C)C 62a_100000736142_100000751147 [0,1,1,0,0,0|1,0,1]=4 313 B13R1.55 CSCCSc1cc(nc(n1)C)N 62a_100000212216_100000761517 [0,1,1,0,0,0|1,0,1]=4 314 B13R1.55 CSCCSc1cc(nc(n1)C)N 62a_100000761517_100000751147 [0,1,1,0,0,0|1,0,1]=4 315 B13R1.55 CSCCSc1cc(nc(n1)C)O 62a_100000212216_106741647437 [0,1,1,0,0,0|0,0,2]=4 316 B13R1.55 CSCOCc1cc(cc(n1)C)Br 34a_100010178681_100011218213 [0,1,1,0,0,0|2,0,0]=4 317 B13R1.55 CSCOCc1cc(cc(n1)C)C 34a_100012182918_100011218213 [0,1,1,0,0,0|2,0,0]=4 318 B13R1.55 CSCSCc1cc(=O)[nH]c(n1)O 62a_100011218213_100000185147 [0,1,1,0,0,0|1,0,0]=3 319 B13R1.55 CSCSCc1cc(cc(n1)C)C 62a_100011218213_100012357514 [0,1,1,0,0,0|2,0,0]=4 320 B13R1.55 CSCSCc1cc(cc(n1)C)C 62a_100012357514_100011218213 [0,1,1,0,0,0|2,0,0]=4 321 B13R1.136 CSCOc1cc(n(c(=O)c1)C)C 34a_100000075388_100011218213 [0,1,1,0,0,0|2,0,0]=4 322 B13R1.2808 CC(=O)Cc1c(nc([nH]c1=O)C)C 1458a_100000188645_200000210301 [0,1,1,0,0,0|1,0,0]=3 323 B13R1.2808 Cc1nc(c(c(=O)[nH]1)CC(=O)[13CH3])C 1458a_100000188645_200025704644 [0,1,1,0,0,0|1,0,0]=3 324 B13R2.57 CNc1ncc2c(n1)CCNC2 27a_100102657272_100020629273 [1,1,0,0,0,0|1,0,1]=4 325 B13R2.57 CSc1ccc2c(n1)CCCC2 62a_100000046135_200000210301 [1,1,0,0,0,0|2,0,0]=4 326 B13R2.57 CSc1ccc2c(n1)CCCC2 62a_200000210301_100000046135 [1,1,0,0,0,0|2,0,0]=4 327 B13R2.57 CSc1ccc2c(n1)CCNC2 62a_100015190003_200000210301 [1,1,0,0,0,0|2,0,0]=4 328 B13R2.57 CSc1ccc2c(n1)CCNC2 62a_200000210301_100015190003 [1,1,0,0,0,0|2,0,0]=4 329 B13R2.57 CSc1ncc2c(n1)CCNC2 62a_100020629273_200000210301 [1,1,0,0,0,0|1,0,1]=4 330 B13R2.57 CSc1ncc2c(n1)CCNC2 62a_200000210301_100020629273 [1,1,0,0,0,0|1,0,1]=4 331 B13R2.57 [13CH3]Sc1ccc2c(n1)CCCC2 62a_100000046135_200025704644 [1,1,0,0,0,0|2,0,0]=4 332 B13R2.57 [13CH3]Sc1ccc2c(n1)CCCC2 62a_200025704644_100000046135 [1,1,0,0,0,0|2,0,0]=4 333 B13R2.57 [13CH3]Sc1ccc2c(n1)CCNC2 62a_100015190003_200025704644 [1,1,0,0,0,0|2,0,0]=4 334 B13R2.57 [13CH3]Sc1ccc2c(n1)CCNC2 62a_200025704644_100015190003 [1,1,0,0,0,0|2,0,0]=4 335 B13R2.57 [13CH3]Sc1ncc2c(n1)CCNC2 62a_100020629273_200025704644 [1,1,0,0,0,0|1,0,1]=4 336 B13R2.57 [13CH3]Sc1ncc2c(n1)CCNC2 62a_200025704644_100020629273 [1,1,0,0,0,0|1,0,1]=4 337 B13R2.623 C=Cc1nc(nc2c1CCC2)C 271570a_100011290941_100011240833 [0,1,0,0,1,0|1,0,1]=4 338 B13R2.623 CNc1nc(nc2c1CCC2)C 27a_100102657272_100011240833 [0,1,0,0,1,0|1,0,1]=4 339 B13R2.623 CSc1nc(nc2c1CCC2)C 62a_100011240833_200000210301 [0,1,0,0,1,0|0,1,1]=4 340 B13R2.623 CSc1nc(nc2c1CCC2)C 62a_200000210301_100011240833 [0,1,0,0,1,0|0,1,1]=4 341 B13R2.623 Cc1nc2c(c(n1)S[13CH3])CCC2 62a_100011240833_200025704644 [0,1,0,0,1,0|0,1,1]=4 342 B13R2.623 Cc1nc2c(c(n1)S[13CH3])CCC2 62a_200025704644_100011240833 [0,1,0,0,1,0|0,1,1]=4 343 B13R2.654 CNc1nc(c2c(n1)CCC2)N 27a_100102657272_100000107085 [0,1,0,0,1,0|1,0,1]=4 344 B13R2.654 CSc1nc(c2c(n1)CCC2)N 62a_100000107085_200000210301 [0,1,0,0,1,0|1,0,1]=4 345 B13R2.654 CSc1nc(c2c(n1)CCC2)N 62a_200000210301_100000107085 [0,1,0,0,1,0|1,0,1]=4 346 B13R2.654 [13CH3]Sc1nc(c2c(n1)CCC2)N 62a_100000107085_200025704644 [0,1,0,0,1,0|1,0,1]=4 347 B13R2.654 [13CH3]Sc1nc(c2c(n1)CCC2)N 62a_200025704644_100000107085 [0,1,0,0,1,0|1,0,1]=4 348 B15R2.21329 CCN1CCc2nc([nH]c(=O)c2C1)C 2230a_100011218227_100000210202 [0,2,0,0,0,0|1,0,0]=3 349 B15R2.21329 CCN1CCc2nc([nH]c(=O)c2C1)C 269982a_100011218227_100000204670 [0,2,0,0,0,0|1,0,0]=3 350 B15R2.21329 Cc1nc2c(c(=O)[nH]1)CN(CC2)CF 269982a_100011218227_100015361967 [0,2,0,0,0,0|1,0,0]=3 351 B13R2.15 Cc1[nH]cnc1C2=CCSCC2 271570a_100010232141_100009816806 [0,0,1,1,0,0|2,0,0]=4 352 B13R2.5400 Cc1ncc(c(=O)[nH]1)SC2CC2 62a_100011999157_100000211595 [0,0,1,1,0,0|2,0,0]=4 353 B13R2.11034 Cc1nc([nH]c(=O)c1C2CC2)O 271570a_100011220607_100000187651 [0,0,1,1,0,0|2,0,0]=4 354 B11R1.230 CCNCc1nc([nH]c1C)C 207a_100015525214_100009834603 [0,0,1,0,1,0|2,0,0]=4 355 B11R1.231 CSCCn1cc(c(n1)C)Br 62a_100009816631_200000210301 [0,0,1,0,1,0|2,0,0]=4 356 B11R1.231 CSCCn1cc(c(n1)C)Br 62a_200000210301_100009816631 [0,0,1,0,1,0|2,0,0]=4 357 B11R1.231 Cc1nn(cc1Br)CCS[13CH3] 62a_100009816631_200025704644 [0,0,1,0,1,0|2,0,0]=4 358 B11R1.231 Cc1nn(cc1Br)CCS[13CH3] 62a_200025704644_100009816631 [0,0,1,0,1,0|2,0,0]=4 359 B11R1.77 C=C(C)CC(=O)C1=CCCC1 1458a_100000038896_100000748629 [0,0,1,0,1,0|2,0,0]=4 360 B11R1.77 CC(C)NC(=O)C1=CCCC1 11a_100138425928_100000038896 [0,0,1,0,1,0|1,0,1]=4 361 B11R1.77 CC(C)NC(=O)C1=CCCC1 1626a_100138425928_100000038896 [0,0,1,0,1,0|1,0,1]=4 362 B11R1.77 CC(C)NC(=O)C1=CCCC1 240690a_100138425928_100000038896 [0,0,1,0,1,0|1,0,1]=4 363 B11R2.36 Oc1ccc2c(n1)CCC2 271570a_203496583355_100000046531 [1,0,0,0,1,0|2,0,0]=4 364 B11R2.36 Oc1ncc2c(n1)CCC2 271570a_203496583355_100009881048 [1,0,0,0,1,0|1,0,1]=4 365 B11R2.106 Oc1ccnc2c1CCC2 271570a_203496583355_100000102697 [1,0,0,0,1,0|1,0,1]=4 366 B11R2.106 Oc1ncnc2c1CCC2 271570a_203496583355_100000750143 [1,0,0,0,1,0|0,0,2]=4 367 B13R1.45 C=C(C)CNC(=O)C1=CCCCC1 11a_100000765925_100000765259 [0,0,1,0,0,1|2,0,0]=4 368 B13R1.45 C=C(C)CNC(=O)C1=CCCCC1 1626a_100000765925_100000765259 [0,0,1,0,0,1|2,0,0]=4 369 B13R1.45 C=C(C)CNC(=O)C1=CCCCC1 240690a_100000765925_100000765259 [0,0,1,0,0,1|2,0,0]=4 370 B13R1.45 C=C(C)CNC(=O)C1=CCCCC1 527a_100000765925_100000765259 [0,0,1,0,0,1|2,0,0]=4 371 B13R1.45 CC(=O)NNC(=O)C1=CCCCC1 22a_100000189765_100000765259 [0,0,1,0,0,1|2,0,0]=4