0 B15R1.500 C/C(=N\NC(=O)c1ccncc1)/C(=O)[13CH3] 1458a_200032421479_200025704644 [0,0,0,0,0,0|1,0,0]=1 1 B15R1.500 C=C(C)C(=NNC(=O)c1ccccc1)C 4a_100000184135_100011216138 [0,0,0,0,0,0|3,0,0]=3 2 B15R1.500 C=C(C)C(=NNC(=O)c1ccccn1)C 4a_100000184044_100011216138 [0,0,0,0,0,0|4,0,0]=4 3 B15R1.500 C=C(C)C(=NNC(=O)c1cccnc1)C 4a_100000189771_100011216138 [0,0,0,0,0,0|4,0,0]=4 4 B15R1.500 C=C(C)C(=NNC(=O)c1ccncc1)C 4a_100000189768_100011216138 [0,0,0,0,0,0|2,0,0]=2 5 B15R1.500 C=C(C)C(=NNC(=O)c1ccncn1)C 4a_100000084330_100011216138 [0,0,0,0,0,0|3,0,0]=3 6 B15R1.500 C=C(C)C(=O)NNC(=O)c1ccncc1 22a_100000189768_100000185857 [0,0,0,0,0,0|3,0,1]=4 7 B15R1.500 C=C(Cl)C(=O)NNC(=O)c1ccncc1 22a_100000189768_100000039160 [0,0,0,0,0,0|3,0,1]=4 8 B15R1.500 C=C(F)C(=O)NNC(=O)c1ccncc1 22a_100000189768_100000036797 [0,0,0,0,0,0|3,0,1]=4 9 B15R1.500 CC(=NNC(=O)c1ccccc1)C(C)C 4a_100000184135_100000211110 [0,0,0,0,0,0|3,0,1]=4 10 B15R1.500 CC(=NNC(=O)c1ccccc1)C(C)O 4a_100000184135_100000212229 [0,0,0,0,0,0|2,0,1]=3 11 B15R1.500 CC(=NNC(=O)c1ccccc1)C(F)F 4a_100000184135_100000764096 [0,0,0,0,0,0|3,0,1]=4 12 B15R1.500 CC(=NNC(=O)c1ccccn1)C(C)O 4a_100000184044_100000212229 [0,0,0,0,0,0|3,0,1]=4 13 B15R1.500 CC(=NNC(=O)c1cccnc1)C(C)O 4a_100000189771_100000212229 [0,0,0,0,0,0|3,0,1]=4 14 B15R1.500 CC(=NNC(=O)c1ccncc1)C(C)C 4a_100000189768_100000211110 [0,0,0,0,0,0|2,0,1]=3 15 B15R1.500 CC(=NNC(=O)c1ccncc1)C(C)O 4a_100000189768_100000212229 [0,0,0,0,0,0|1,0,1]=2 16 B15R1.500 CC(=NNC(=O)c1ccncc1)C(F)F 4a_100000189768_100000764096 [0,0,0,0,0,0|2,0,1]=3 17 B15R1.500 CC(=NNC(=O)c1ccncn1)C(C)C 4a_100000084330_100000211110 [0,0,0,0,0,0|3,0,1]=4 18 B15R1.500 CC(=NNC(=O)c1ccncn1)C(C)O 4a_100000084330_100000212229 [0,0,0,0,0,0|2,0,1]=3 19 B15R1.500 CC(=NNC(=O)c1ccncn1)C(F)F 4a_100000084330_100000764096 [0,0,0,0,0,0|3,0,1]=4 20 B15R1.500 CC(=O)/C(=N/NC(=O)c1ccncc1)/C 1458a_200032421479_200000210301 [0,0,0,0,0,0|1,0,0]=1 21 B15R1.500 CC(=O)C(C)SCC(=O)c1ccncc1 62a_100000027454_100009814033 [0,0,0,0,0,0|3,0,1]=4 22 B15R1.500 CC(=O)C(C)SCC(=O)c1ccncc1 62a_100009814033_100000027454 [0,0,0,0,0,0|3,0,1]=4 23 B15R1.500 CC(SCC(=O)c1ccncc1)C(=O)N 62a_100000027454_100000702099 [0,0,0,0,0,0|3,0,1]=4 24 B15R1.500 CC(SCC(=O)c1ccncc1)C(=O)N 62a_100000702099_100000027454 [0,0,0,0,0,0|3,0,1]=4 25 B15R1.500 C[C@@H](O)C(=O)NNC(=O)c1ccncc1 22a_100000189768_100000717761 [0,0,0,0,0,0|2,0,2]=4 26 B15R1.500 C[C@@H](OCC(=O)c1ccncc1)C(=O)N 7a_100000731257_100015248511 [0,0,0,0,0,0|3,0,1]=4 27 B15R1.500 C[C@H](NCC(=O)c1ccccc1)C(=O)O 269956a_100000743915_100000211460 [0,0,0,0,0,0|2,0,2]=4 28 B15R1.500 C[C@H](NCC(=O)c1ccncc1)C(=O)O 269956a_100000743915_100000027454 [0,0,0,0,0,0|1,0,2]=3 29 B15R1.500 C[C@H](O)C(=O)NNC(=O)c1ccncc1 22a_100000189768_217856618621 [0,0,0,0,0,0|2,0,2]=4 30 B15R1.500 C[C@H](OCC(=O)c1ccncc1)C(=O)[O-] 7a_217856618621_100015248511 [0,0,0,0,0,0|2,0,2]=4 31 B15R1.500 NC(=O)C(=O)NNC(=O)c1ccccc1 22a_100000184135_100011215815 [0,0,0,0,0,0|3,0,1]=4 32 B15R1.500 NC(=O)C(=O)NNC(=O)c1ccccc1 22a_100000211141_100000185807 [0,0,0,0,0,0|3,0,1]=4 33 B15R1.500 NC(=O)C(=O)NNC(=O)c1ccncc1 22a_100000189768_100011215815 [0,0,0,0,0,0|2,0,1]=3 34 B15R1.500 NC(=O)C(=O)NNC(=O)c1ccncn1 22a_100000084330_100011215815 [0,0,0,0,0,0|3,0,1]=4 35 B15R1.500 O=C(NNC(=O)C(O)O)c1ccncc1 22a_100000189768_100000233687 [0,0,0,0,0,0|1,0,3]=4 36 B14R1.163 C#CC(=NNC(=O)c1ccccc1)C 4a_100000184135_100000690481 [1,0,0,0,0,0|2,0,1]=4 37 B14R1.163 C#CC(=NNC(=O)c1ccncc1)C 4a_100000189768_100000690481 [1,0,0,0,0,0|1,0,1]=3 38 B14R1.163 C#CC(=NNC(=O)c1ccncn1)C 4a_100000084330_100000690481 [1,0,0,0,0,0|2,0,1]=4 39 B14R1.163 C=CC(=NNC(=O)c1ccccc1)C 4a_100000184135_200015361842 [1,0,0,0,0,0|2,0,0]=3 40 B14R1.163 C=CC(=NNC(=O)c1ccccn1)C 4a_100000184044_200015361842 [1,0,0,0,0,0|3,0,0]=4 41 B14R1.163 C=CC(=NNC(=O)c1cccnc1)C 4a_100000189771_200015361842 [1,0,0,0,0,0|3,0,0]=4 42 B14R1.163 C=CC(=NNC(=O)c1ccncc1)C 4a_100000189768_200015361842 [1,0,0,0,0,0|1,0,0]=2 43 B14R1.163 C=CC(=NNC(=O)c1ccncn1)C 4a_100000084330_200015361842 [1,0,0,0,0,0|2,0,0]=3 44 B14R1.163 C=CC(=O)NNC(=O)c1ccncc1 22a_100000189768_100000185746 [1,0,0,0,0,0|2,0,1]=4 45 B14R1.163 CC(=NNC(=O)c1ccccc1)CF 4a_100000184135_100000039719 [1,0,0,0,0,0|2,0,1]=4 46 B14R1.163 CC(=NNC(=O)c1ccccc1)CO 4a_100000184135_100000211253 [1,0,0,0,0,0|1,0,1]=3 47 B14R1.163 CC(=NNC(=O)c1ccccn1)CO 4a_100000184044_100000211253 [1,0,0,0,0,0|2,0,1]=4 48 B14R1.163 CC(=NNC(=O)c1cccnc1)CO 4a_100000189771_100000211253 [1,0,0,0,0,0|2,0,1]=4 49 B14R1.163 CC(=NNC(=O)c1ccncc1)CF 4a_100000189768_100000039719 [1,0,0,0,0,0|1,0,1]=3 50 B14R1.163 CC(=NNC(=O)c1ccncc1)CO 4a_100000189768_100000211253 [1,0,0,0,0,0|0,0,1]=2 51 B14R1.163 CC(=NNC(=O)c1ccncn1)CF 4a_100000084330_100000039719 [1,0,0,0,0,0|2,0,1]=4 52 B14R1.163 CC(=NNC(=O)c1ccncn1)CO 4a_100000084330_100000211253 [1,0,0,0,0,0|1,0,1]=3 53 B14R1.163 O=C(CO)NNC(=O)c1ccncc1 22a_100000189768_100000210174 [1,0,0,0,0,0|1,0,2]=4 54 B14R1.420 C=C(C)C=NNC(=O)c1ccccc1 4a_100000184135_100000210575 [1,0,0,0,0,0|3,0,0]=4 55 B14R1.420 C=C(C)C=NNC(=O)c1ccncc1 4a_100000189768_100000210575 [1,0,0,0,0,0|2,0,0]=3 56 B14R1.420 C=C(C)C=NNC(=O)c1ccncn1 4a_100000084330_100000210575 [1,0,0,0,0,0|3,0,0]=4 57 B14R1.420 CC(C)C=NNC(=O)c1ccncc1 4a_100000189768_100000210432 [1,0,0,0,0,0|2,0,1]=4 58 B14R1.420 O=C(O)CNCC(=O)c1ccncc1 269956a_100016091260_100000027454 [1,0,0,0,0,0|1,0,2]=4 59 B14R1.6449 C=C(C)C(=NNCc1ccncc1)C 4a_100000736929_100011216138 [1,0,0,0,0,0|2,0,1]=4 60 B14R1.6449 CC(=NNCc1ccncc1)C(C)O 4a_100000736929_100000212229 [1,0,0,0,0,0|1,0,2]=4 61 B14R1.6449 CC(CNCc1ccncc1)C(=O)O 269956a_100000749485_100015193705 [1,0,0,0,0,0|1,0,2]=4 62 B16R1.1039 C=C(C)C(=NNC(=O)c1ccc(cc1)Br)C 4a_100000183614_100011216138 [0,1,0,0,0,0|3,0,0]=4 63 B16R1.1039 C=C(C)C(=NNC(=O)c1ccc(cc1)C)C 4a_100000189790_100011216138 [0,1,0,0,0,0|3,0,0]=4 64 B16R1.1039 C=C(C)C(=NNC(=O)c1ccc(cc1)Cl)C 4a_100000184390_100011216138 [0,1,0,0,0,0|3,0,0]=4 65 B16R1.1039 C=C(C)C(=NNC(=O)c1ccc(cc1)F)C 4a_100000182866_100011216138 [0,1,0,0,0,0|3,0,0]=4 66 B16R1.1039 C=C(C)C(=NNC(=O)c1ccc(cc1)I)C 4a_100000189773_100011216138 [0,1,0,0,0,0|3,0,0]=4 67 B16R1.1039 CC(=NNC(=O)c1ccc(cc1)Br)C(C)O 4a_100000183614_100000212229 [0,1,0,0,0,0|2,0,1]=4 68 B16R1.1039 CC(=NNC(=O)c1ccc(cc1)C)C(C)O 4a_100000189790_100000212229 [0,1,0,0,0,0|2,0,1]=4 69 B16R1.1039 CC(=NNC(=O)c1ccc(cc1)Cl)C(C)O 4a_100000184390_100000212229 [0,1,0,0,0,0|2,0,1]=4 70 B16R1.1039 CC(=NNC(=O)c1ccc(cc1)F)C(C)O 4a_100000182866_100000212229 [0,1,0,0,0,0|2,0,1]=4 71 B16R1.1039 CC(=NNC(=O)c1ccc(cc1)I)C(C)O 4a_100000189773_100000212229 [0,1,0,0,0,0|2,0,1]=4 72 B16R1.1145 C/C(=N\NC(=O)c1ccncc1)/C(=O)CF 1458a_200032421479_100015361967 [0,1,0,0,0,0|1,0,0]=2 73 B16R1.1145 C/C=C(\C)/C(=NNC(=O)c1ccccc1)C 4a_100000184135_100020675665 [0,1,0,0,0,0|3,0,0]=4 74 B16R1.1145 C/C=C(\C)/C(=NNC(=O)c1ccncc1)C 4a_100000189768_100020675665 [0,1,0,0,0,0|2,0,0]=3 75 B16R1.1145 C/C=C(\C)/C(=NNC(=O)c1ccncn1)C 4a_100000084330_100020675665 [0,1,0,0,0,0|3,0,0]=4 76 B16R1.1145 C=C(CO)C(=O)NNC(=O)c1ccncc1 22a_100000189768_200000705526 [0,1,0,0,0,0|2,0,1]=4 77 B16R1.1145 CC(=NNC(=O)c1ccccc1)C(C)CO 4a_100000184135_100000032740 [0,1,0,0,0,0|2,0,1]=4 78 B16R1.1145 CC(=NNC(=O)c1ccncc1)C(C)C#N 4a_100000189768_100000741742 [0,1,0,0,0,0|2,0,1]=4 79 B16R1.1145 CC(=NNC(=O)c1ccncc1)C(C)CO 4a_100000189768_100000032740 [0,1,0,0,0,0|1,0,1]=3 80 B16R1.1145 CC(=NNC(=O)c1ccncn1)C(C)CO 4a_100000084330_100000032740 [0,1,0,0,0,0|2,0,1]=4 81 B16R1.1145 CC(=NO)C(=NNC(=O)c1ccccc1)C 4a_100000184135_100000066335 [0,1,0,0,0,0|2,0,0]=3 82 B16R1.1145 CC(=NO)C(=NNC(=O)c1ccccn1)C 4a_100000184044_100000066335 [0,1,0,0,0,0|3,0,0]=4 83 B16R1.1145 CC(=NO)C(=NNC(=O)c1cccnc1)C 4a_100000189771_100000066335 [0,1,0,0,0,0|3,0,0]=4 84 B16R1.1145 CC(=NO)C(=NNC(=O)c1ccncc1)C 4a_100000189768_100000066335 [0,1,0,0,0,0|1,0,0]=2 85 B16R1.1145 CC(=NO)C(=NNC(=O)c1ccncn1)C 4a_100000084330_100000066335 [0,1,0,0,0,0|2,0,0]=3 86 B16R1.1145 CCC(=O)/C(=N/NC(=O)c1ccncc1)/C 1458a_200032421479_100000210202 [0,1,0,0,0,0|1,0,0]=2 87 B16R1.1145 CCC(C)C(=NNC(=O)c1ccncc1)C 4a_100000189768_100000210599 [0,1,0,0,0,0|2,0,1]=4 88 B16R1.1145 CNC(=O)/C(=N/NC(=O)c1ccncc1)/C 240690a_100102657272_200032421479 [0,1,0,0,0,0|1,0,0]=2 89 B16R1.1145 CNC(=O)C(=O)NNC(=O)c1ccncc1 22a_100000189768_100011218921 [0,1,0,0,0,0|2,0,1]=4 90 B16R1.1145 COC(=O)C(=NNC(=O)c1ccccc1)C 4a_100000184135_100000211753 [0,1,0,0,0,0|1,0,0]=2 91 B16R1.1145 COC(=O)C(=NNC(=O)c1ccccn1)C 4a_100000184044_100000211753 [0,1,0,0,0,0|2,0,0]=3 92 B16R1.1145 COC(=O)C(=NNC(=O)c1cccnc1)C 4a_100000189771_100000211753 [0,1,0,0,0,0|2,0,0]=3 93 B16R1.1145 COC(=O)C(=NNC(=O)c1ccncc1)C 4a_100000189768_100000211753 [0,1,0,0,0,0|0,0,0]=1 94 B16R1.1145 COC(=O)C(=NNC(=O)c1ccncn1)C 4a_100000084330_100000211753 [0,1,0,0,0,0|1,0,0]=2 95 B16R1.1145 COC(=O)C(=NNC(=O)c1cnccn1)C 4a_100000189795_100000211753 [0,1,0,0,0,0|3,0,0]=4 96 B16R1.1145 COC(=O)C(C)SCC(=O)c1ccncc1 62a_100000027454_100000211248 [0,1,0,0,0,0|2,0,1]=4 97 B16R1.1145 COC(=O)C(C)SCC(=O)c1ccncc1 62a_100000211248_100000027454 [0,1,0,0,0,0|2,0,1]=4 98 B16R1.1145 CSC(C)C(=NNC(=O)c1ccncc1)C 4a_100000189768_200011218923 [0,1,0,0,0,0|1,1,1]=4 99 B16R1.2998 CCC(=NNC(=O)c1ccncc1)C(C)C 4a_100000189768_100000210600 [0,1,0,0,0,0|2,0,1]=4 100 B16R1.2998 CC[C@@H](NCC(=O)c1ccncc1)C(=O)O 269956a_100000747097_100000027454 [0,1,0,0,0,0|1,0,2]=4 101 B16R1.2998 O=C(CNC(CO)C(=O)O)c1ccncc1 269956a_100000187304_100000027454 [0,1,0,0,0,0|1,0,2]=4 102 B16R1.4125 CC(C(=O)O)N(C)CC(=O)c1ccncc1 269956a_100000749554_100000027454 [0,1,0,0,0,0|1,0,2]=4 103 B16R1.10819 C=C(C)C(=NNC(=O)c1ccccc1Br)C 4a_100000183644_100011216138 [0,1,0,0,0,0|3,0,0]=4 104 B16R1.10819 C=C(C)C(=NNC(=O)c1ccccc1C)C 4a_100000181371_100011216138 [0,1,0,0,0,0|3,0,0]=4 105 B16R1.10819 C=C(C)C(=NNC(=O)c1ccccc1Cl)C 4a_100000186534_100011216138 [0,1,0,0,0,0|3,0,0]=4 106 B16R1.10819 C=C(C)C(=NNC(=O)c1ccccc1F)C 4a_100000183521_100011216138 [0,1,0,0,0,0|3,0,0]=4 107 B16R1.10819 C=C(C)C(=NNC(=O)c1ccccc1I)C 4a_100000190081_100011216138 [0,1,0,0,0,0|3,0,0]=4 108 B16R1.10819 C=C(C)C(=NNC(=O)c1ccncc1C)C 4a_100011996471_100011216138 [0,1,0,0,0,0|2,0,0]=3 109 B16R1.10819 C=C(C)C(=NNC(=O)c1ccncc1F)C 4a_100000702518_100011216138 [0,1,0,0,0,0|2,0,0]=3 110 B16R1.10819 CC(=NNC(=O)c1ccccc1Br)C(C)O 4a_100000183644_100000212229 [0,1,0,0,0,0|2,0,1]=4 111 B16R1.10819 CC(=NNC(=O)c1ccccc1C)C(C)O 4a_100000181371_100000212229 [0,1,0,0,0,0|2,0,1]=4 112 B16R1.10819 CC(=NNC(=O)c1ccccc1Cl)C(C)O 4a_100000186534_100000212229 [0,1,0,0,0,0|2,0,1]=4 113 B16R1.10819 CC(=NNC(=O)c1ccccc1F)C(C)O 4a_100000183521_100000212229 [0,1,0,0,0,0|2,0,1]=4 114 B16R1.10819 CC(=NNC(=O)c1ccccc1I)C(C)O 4a_100000190081_100000212229 [0,1,0,0,0,0|2,0,1]=4 115 B16R1.10819 CC(=NNC(=O)c1ccncc1C)C(C)C 4a_100011996471_100000211110 [0,1,0,0,0,0|2,0,1]=4 116 B16R1.10819 CC(=NNC(=O)c1ccncc1C)C(C)O 4a_100011996471_100000212229 [0,1,0,0,0,0|1,0,1]=3 117 B16R1.10819 CC(=NNC(=O)c1ccncc1C)C(F)F 4a_100011996471_100000764096 [0,1,0,0,0,0|2,0,1]=4 118 B16R1.10819 CC(=NNC(=O)c1ccncc1F)C(C)C 4a_100000702518_100000211110 [0,1,0,0,0,0|2,0,1]=4 119 B16R1.10819 CC(=NNC(=O)c1ccncc1F)C(C)O 4a_100000702518_100000212229 [0,1,0,0,0,0|1,0,1]=3 120 B16R1.10819 CC(=NNC(=O)c1ccncc1F)C(F)F 4a_100000702518_100000764096 [0,1,0,0,0,0|2,0,1]=4 121 B16R1.10819 Cc1cnccc1C(=O)NNC(=O)C(=O)N 22a_100011996471_100011215815 [0,1,0,0,0,0|2,0,1]=4 122 B16R1.10819 NC(=O)C(=O)NNC(=O)c1ccncc1F 22a_100000702518_100011215815 [0,1,0,0,0,0|2,0,1]=4 123 B16R1.11196 C=C(C)C(=NNC(=O)c1cccc(c1)Br)C 4a_100000189783_100011216138 [0,1,0,0,0,0|3,0,0]=4 124 B16R1.11196 C=C(C)C(=NNC(=O)c1cccc(c1)C)C 4a_100000189845_100011216138 [0,1,0,0,0,0|3,0,0]=4 125 B16R1.11196 C=C(C)C(=NNC(=O)c1cccc(c1)Cl)C 4a_100000183659_100011216138 [0,1,0,0,0,0|3,0,0]=4 126 B16R1.11196 C=C(C)C(=NNC(=O)c1cccc(c1)F)C 4a_100000189798_100011216138 [0,1,0,0,0,0|3,0,0]=4 127 B16R1.11196 C=C(C)C(=NNC(=O)c1cccc(c1)I)C 4a_100000186306_100011216138 [0,1,0,0,0,0|3,0,0]=4 128 B16R1.11196 C=C(C)C(=NNC(=O)c1ccnc(c1)Br)C 4a_100010138526_100011216138 [0,1,0,0,0,0|2,0,0]=3 129 B16R1.11196 C=C(C)C(=NNC(=O)c1ccnc(c1)Cl)C 4a_100000021280_100011216138 [0,1,0,0,0,0|2,0,0]=3 130 B16R1.11196 CC(=NNC(=O)c1cccc(c1)Br)C(C)O 4a_100000189783_100000212229 [0,1,0,0,0,0|2,0,1]=4 131 B16R1.11196 CC(=NNC(=O)c1cccc(c1)C)C(C)O 4a_100000189845_100000212229 [0,1,0,0,0,0|2,0,1]=4 132 B16R1.11196 CC(=NNC(=O)c1cccc(c1)Cl)C(C)O 4a_100000183659_100000212229 [0,1,0,0,0,0|2,0,1]=4 133 B16R1.11196 CC(=NNC(=O)c1cccc(c1)F)C(C)O 4a_100000189798_100000212229 [0,1,0,0,0,0|2,0,1]=4 134 B16R1.11196 CC(=NNC(=O)c1cccc(c1)I)C(C)O 4a_100000186306_100000212229 [0,1,0,0,0,0|2,0,1]=4 135 B16R1.11196 CC(=NNC(=O)c1ccnc(c1)Br)C(C)C 4a_100010138526_100000211110 [0,1,0,0,0,0|2,0,1]=4 136 B16R1.11196 CC(=NNC(=O)c1ccnc(c1)Br)C(C)O 4a_100010138526_100000212229 [0,1,0,0,0,0|1,0,1]=3 137 B16R1.11196 CC(=NNC(=O)c1ccnc(c1)Br)C(F)F 4a_100010138526_100000764096 [0,1,0,0,0,0|2,0,1]=4 138 B16R1.11196 CC(=NNC(=O)c1ccnc(c1)Cl)C(C)C 4a_100000021280_100000211110 [0,1,0,0,0,0|2,0,1]=4 139 B16R1.11196 CC(=NNC(=O)c1ccnc(c1)Cl)C(C)O 4a_100000021280_100000212229 [0,1,0,0,0,0|1,0,1]=3 140 B16R1.11196 CC(=NNC(=O)c1ccnc(c1)Cl)C(F)F 4a_100000021280_100000764096 [0,1,0,0,0,0|2,0,1]=4 141 B16R1.11196 C[C@H](NCC(=O)c1ccnc(c1)Cl)C(=O)O 269956a_100000743915_100009817076 [0,1,0,0,0,0|1,0,2]=4 142 B16R1.11196 NC(=O)C(=O)NNC(=O)c1ccnc(c1)Br 22a_100010138526_100011215815 [0,1,0,0,0,0|2,0,1]=4 143 B16R1.11196 NC(=O)C(=O)NNC(=O)c1ccnc(c1)Cl 22a_100000021280_100011215815 [0,1,0,0,0,0|2,0,1]=4 144 B16R1.12544 CC(=NNC(=O)c1ccccc1)C(C)(C)O 4a_100000184135_100000747739 [0,1,0,0,0,0|2,0,1]=4 145 B16R1.12544 CC(=NNC(=O)c1ccncc1)C(C)(C)O 4a_100000189768_100000747739 [0,1,0,0,0,0|1,0,1]=3 146 B16R1.12544 CC(=NNC(=O)c1ccncc1)C(F)(F)F 4a_100000189768_100000210305 [0,1,0,0,0,0|2,0,1]=4 147 B16R1.12544 CC(=NNC(=O)c1ccncn1)C(C)(C)O 4a_100000084330_100000747739 [0,1,0,0,0,0|2,0,1]=4 148 B16R2.146968 CC(=NNC(=O)c1ccccc1)C2CO2 4a_100000184135_100000031964 [0,0,0,1,0,0|2,0,1]=4 149 B16R2.146968 CC(=NNC(=O)c1ccncc1)C2CC2 4a_100000189768_100000210639 [0,0,0,1,0,0|2,0,1]=4 150 B16R2.146968 CC(=NNC(=O)c1ccncc1)C2CO2 4a_100000189768_100000031964 [0,0,0,1,0,0|1,0,1]=3 151 B16R2.146968 CC(=NNC(=O)c1ccncn1)C2CO2 4a_100000084330_100000031964 [0,0,0,1,0,0|2,0,1]=4 152 B14R1.415 CC(=O)[C@@H](C)NC(=O)c1ccccc1 1458a_100011504567_200000210301 [0,0,0,0,1,0|2,0,1]=4 153 B14R1.415 C[C@@H](NC(=O)c1ccccc1)C(=O)N 11a_100000119354_100000185807 [0,0,0,0,1,0|2,0,1]=4 154 B14R1.415 C[C@@H](NC(=O)c1ccccc1)C(=O)N 240690a_100000119354_100000185807 [0,0,0,0,1,0|2,0,1]=4 155 B14R1.415 C[C@@H](NC(=O)c1ccccc1)C(=O)N 527a_100000119354_100000185807 [0,0,0,0,1,0|2,0,1]=4 156 B14R1.415 C[C@@H](NC(=O)c1ccccc1)C(=O)[13CH3] 1458a_100011504567_200025704644 [0,0,0,0,1,0|2,0,1]=4 157 B14R1.421 C=C(C)C(=NNC(=O)c1ccc[nH]1)C 4a_100000018271_100011216138 [0,0,0,0,1,0|3,0,0]=4 158 B14R1.421 C=C(C)C(=NNC(=O)c1ccco1)C 4a_100000185077_100011216138 [0,0,0,0,1,0|3,0,0]=4 159 B14R1.421 C=C(C)C(=NNC(=O)c1cccs1)C 4a_100000184746_100011216138 [0,0,0,0,1,0|3,0,0]=4 160 B14R1.421 C=C(C)C(=NNC(=O)c1ccoc1)C 4a_100000233958_100011216138 [0,0,0,0,1,0|3,0,0]=4 161 B14R1.421 C=C(C)C(=NNC(=O)c1ccsc1)C 4a_100000193922_100011216138 [0,0,0,0,1,0|3,0,0]=4 162 B14R1.421 C=C(C)C(=NNC(=O)c1cn[nH]c1)C 4a_100011317056_100011216138 [0,0,0,0,1,0|3,0,0]=4 163 B14R1.421 C=C(C)C(=NNC(=O)c1cnco1)C 4a_100000081316_100011216138 [0,0,0,0,1,0|3,0,0]=4 164 B14R1.421 C=C(C)C(=NNC(=O)c1cncs1)C 4a_200000241815_100011216138 [0,0,0,0,1,0|3,0,0]=4 165 B14R1.421 CC(=NNC(=O)c1ccc[nH]1)C(C)O 4a_100000018271_100000212229 [0,0,0,0,1,0|2,0,1]=4 166 B14R1.421 CC(=NNC(=O)c1ccco1)C(C)O 4a_100000185077_100000212229 [0,0,0,0,1,0|2,0,1]=4 167 B14R1.421 CC(=NNC(=O)c1cccs1)C(C)O 4a_100000184746_100000212229 [0,0,0,0,1,0|2,0,1]=4 168 B14R1.421 CC(=NNC(=O)c1ccoc1)C(C)O 4a_100000233958_100000212229 [0,0,0,0,1,0|2,0,1]=4 169 B14R1.421 CC(=NNC(=O)c1ccsc1)C(C)O 4a_100000193922_100000212229 [0,0,0,0,1,0|2,0,1]=4 170 B14R1.421 CC(=NNC(=O)c1cn[nH]c1)C(C)O 4a_100011317056_100000212229 [0,0,0,0,1,0|2,0,1]=4 171 B14R1.421 CC(=NNC(=O)c1cnco1)C(C)O 4a_100000081316_100000212229 [0,0,0,0,1,0|2,0,1]=4 172 B14R1.421 CC(=NNC(=O)c1cncs1)C(C)O 4a_200000241815_100000212229 [0,0,0,0,1,0|2,0,1]=4 173 B16R1.612 NC(=O)CC(=O)NNC(=O)c1ccncc1 22a_100000189768_100134613110 [0,0,0,0,0,1|2,0,1]=4 174 B16R1.4129 CC(CNCC(=O)c1ccccc1)C(=O)O 269956a_100000749485_100000211460 [0,0,0,0,0,1|2,0,1]=4 175 B16R1.4129 CC(CNCC(=O)c1ccncc1)C(=O)O 269956a_100000749485_100000027454 [0,0,0,0,0,1|1,0,1]=3 176 B16R1.4129 O=C(CNCC(F)C(=O)O)c1ccncc1 269956a_100000084737_100000027454 [0,0,0,0,0,1|2,0,1]=4 177 B16R1.4132 C=C(C)C(=NNC(=O)Cc1ccccc1)C 4a_100000182964_100011216138 [0,0,0,0,0,1|3,0,0]=4 178 B16R1.4132 C=C(C)C(=NNC(=O)Cc1ccncc1)C 4a_100000766356_100011216138 [0,0,0,0,0,1|2,0,0]=3 179 B16R1.4132 CC(=NNC(=O)Cc1ccccc1)C(C)O 4a_100000182964_100000212229 [0,0,0,0,0,1|2,0,1]=4 180 B16R1.4132 CC(=NNC(=O)Cc1ccncc1)C(C)C 4a_100000766356_100000211110 [0,0,0,0,0,1|2,0,1]=4 181 B16R1.4132 CC(=NNC(=O)Cc1ccncc1)C(C)O 4a_100000766356_100000212229 [0,0,0,0,0,1|1,0,1]=3 182 B16R1.4132 CC(=NNC(=O)Cc1ccncc1)C(F)F 4a_100000766356_100000764096 [0,0,0,0,0,1|2,0,1]=4 183 B16R1.4132 C[C@H](NCC(=O)Nc1ccncc1)C(=O)O 269956a_100000743915_100000754145 [0,0,0,0,0,1|1,0,2]=4 184 B16R1.4132 NC(=O)C(=O)NNC(=O)Cc1ccncc1 22a_100000211141_100011201483 [0,0,0,0,0,1|2,0,1]=4 185 B16R1.4132 NC(=O)C(=O)NNC(=O)Cc1ccncc1 22a_100000766356_100011215815 [0,0,0,0,0,1|2,0,1]=4 186 B13R1.24 CCC=NNC(=O)c1ccncc1 4a_100000189768_100000210100 [2,0,0,0,0,0|1,0,1]=4 187 B13R1.45 C=C(C)CNC(=O)c1ccccc1 11a_100000765925_100000185807 [2,0,0,0,0,0|2,0,0]=4 188 B13R1.45 C=C(C)CNC(=O)c1ccccc1 1626a_100000765925_100000185807 [2,0,0,0,0,0|2,0,0]=4 189 B13R1.45 C=C(C)CNC(=O)c1ccccc1 240690a_100000765925_100000185807 [2,0,0,0,0,0|2,0,0]=4 190 B13R1.45 C=C(C)CNC(=O)c1ccccc1 527a_100000765925_100000185807 [2,0,0,0,0,0|2,0,0]=4 191 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [2,0,0,0,0,0|2,0,0]=4 192 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000070787 [2,0,0,0,0,0|1,0,1]=4 193 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000189765_100000185807 [2,0,0,0,0,0|1,0,1]=4 194 B13R1.45 CC(=O)NNC(=O)c1ccncc1 22a_100000189768_100000070787 [2,0,0,0,0,0|0,0,1]=3 195 B13R1.45 CC(=O)NNC(=O)c1ccncn1 22a_100000084330_100000070787 [2,0,0,0,0,0|1,0,1]=4 196 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [2,0,0,0,0,0|2,0,0]=4 197 B13R1.718 C=CC(=NNCc1ccncc1)C 4a_100000736929_200015361842 [2,0,0,0,0,0|1,0,1]=4 198 B13R1.718 CC(=NNCc1ccncc1)CO 4a_100000736929_100000211253 [2,0,0,0,0,0|0,0,2]=4 199 B15R1.89 CC(=NNC(=O)c1ccncc1)CC#N 4a_100000189768_100011229364 [1,1,0,0,0,0|1,0,1]=4 200 B15R1.89 CC=CC(=NNC(=O)c1ccccc1)C 4a_100000184135_100011218416 [1,1,0,0,0,0|2,0,0]=4 201 B15R1.89 CC=CC(=NNC(=O)c1ccncc1)C 4a_100000189768_100011218416 [1,1,0,0,0,0|1,0,0]=3 202 B15R1.89 CC=CC(=NNC(=O)c1ccncn1)C 4a_100000084330_100011218416 [1,1,0,0,0,0|2,0,0]=4 203 B15R1.89 CCCC(=NNC(=O)c1ccncc1)C 4a_100000189768_100000211909 [1,1,0,0,0,0|1,0,1]=4 204 B15R1.89 COCC(=NNC(=O)c1ccccc1)C 4a_100000184135_100000749346 [1,1,0,0,0,0|1,0,1]=4 205 B15R1.89 COCC(=NNC(=O)c1ccncc1)C 4a_100000189768_100000749346 [1,1,0,0,0,0|0,0,1]=3 206 B15R1.89 COCC(=NNC(=O)c1ccncn1)C 4a_100000084330_100000749346 [1,1,0,0,0,0|1,0,1]=4 207 B15R1.89 CSCC(=NNC(=O)c1ccncc1)C 4a_100000189768_100011216314 [1,1,0,0,0,0|0,1,1]=4 208 B15R1.132 C=CC(=NNC(=O)c1ccc(cc1)Br)C 4a_100000183614_200015361842 [1,1,0,0,0,0|2,0,0]=4 209 B15R1.132 C=CC(=NNC(=O)c1ccc(cc1)C)C 4a_100000189790_200015361842 [1,1,0,0,0,0|2,0,0]=4 210 B15R1.132 C=CC(=NNC(=O)c1ccc(cc1)Cl)C 4a_100000184390_200015361842 [1,1,0,0,0,0|2,0,0]=4 211 B15R1.132 C=CC(=NNC(=O)c1ccc(cc1)F)C 4a_100000182866_200015361842 [1,1,0,0,0,0|2,0,0]=4 212 B15R1.132 C=CC(=NNC(=O)c1ccc(cc1)I)C 4a_100000189773_200015361842 [1,1,0,0,0,0|2,0,0]=4 213 B15R1.132 CC(=NNC(=O)c1ccc(cc1)Br)CO 4a_100000183614_100000211253 [1,1,0,0,0,0|1,0,1]=4 214 B15R1.132 CC(=NNC(=O)c1ccc(cc1)C)CO 4a_100000189790_100000211253 [1,1,0,0,0,0|1,0,1]=4 215 B15R1.132 CC(=NNC(=O)c1ccc(cc1)Cl)CO 4a_100000184390_100000211253 [1,1,0,0,0,0|1,0,1]=4 216 B15R1.132 CC(=NNC(=O)c1ccc(cc1)F)CO 4a_100000182866_100000211253 [1,1,0,0,0,0|1,0,1]=4 217 B15R1.132 CC(=NNC(=O)c1ccc(cc1)I)CO 4a_100000189773_100000211253 [1,1,0,0,0,0|1,0,1]=4 218 B15R1.133 C#CC(=NNC(=O)c1ccnc(c1)Br)C 4a_100010138526_100000690481 [1,1,0,0,0,0|1,0,1]=4 219 B15R1.133 C#CC(=NNC(=O)c1ccnc(c1)Cl)C 4a_100000021280_100000690481 [1,1,0,0,0,0|1,0,1]=4 220 B15R1.133 C=CC(=NNC(=O)c1cccc(c1)Br)C 4a_100000189783_200015361842 [1,1,0,0,0,0|2,0,0]=4 221 B15R1.133 C=CC(=NNC(=O)c1cccc(c1)C)C 4a_100000189845_200015361842 [1,1,0,0,0,0|2,0,0]=4 222 B15R1.133 C=CC(=NNC(=O)c1cccc(c1)Cl)C 4a_100000183659_200015361842 [1,1,0,0,0,0|2,0,0]=4 223 B15R1.133 C=CC(=NNC(=O)c1cccc(c1)F)C 4a_100000189798_200015361842 [1,1,0,0,0,0|2,0,0]=4 224 B15R1.133 C=CC(=NNC(=O)c1cccc(c1)I)C 4a_100000186306_200015361842 [1,1,0,0,0,0|2,0,0]=4 225 B15R1.133 C=CC(=NNC(=O)c1ccnc(c1)Br)C 4a_100010138526_200015361842 [1,1,0,0,0,0|1,0,0]=3 226 B15R1.133 C=CC(=NNC(=O)c1ccnc(c1)Cl)C 4a_100000021280_200015361842 [1,1,0,0,0,0|1,0,0]=3 227 B15R1.133 CC(=NNC(=O)c1cccc(c1)Br)CO 4a_100000189783_100000211253 [1,1,0,0,0,0|1,0,1]=4 228 B15R1.133 CC(=NNC(=O)c1cccc(c1)C)CO 4a_100000189845_100000211253 [1,1,0,0,0,0|1,0,1]=4 229 B15R1.133 CC(=NNC(=O)c1cccc(c1)Cl)CO 4a_100000183659_100000211253 [1,1,0,0,0,0|1,0,1]=4 230 B15R1.133 CC(=NNC(=O)c1cccc(c1)F)CO 4a_100000189798_100000211253 [1,1,0,0,0,0|1,0,1]=4 231 B15R1.133 CC(=NNC(=O)c1cccc(c1)I)CO 4a_100000186306_100000211253 [1,1,0,0,0,0|1,0,1]=4 232 B15R1.133 CC(=NNC(=O)c1ccnc(c1)Br)CF 4a_100010138526_100000039719 [1,1,0,0,0,0|1,0,1]=4 233 B15R1.133 CC(=NNC(=O)c1ccnc(c1)Br)CO 4a_100010138526_100000211253 [1,1,0,0,0,0|0,0,1]=3 234 B15R1.133 CC(=NNC(=O)c1ccnc(c1)Cl)CF 4a_100000021280_100000039719 [1,1,0,0,0,0|1,0,1]=4 235 B15R1.133 CC(=NNC(=O)c1ccnc(c1)Cl)CO 4a_100000021280_100000211253 [1,1,0,0,0,0|0,0,1]=3 236 B15R1.652 C=CC(=NNC(=O)c1ccccc1)CC 4a_100000184135_100000747743 [1,1,0,0,0,0|2,0,0]=4 237 B15R1.652 C=CC(=NNC(=O)c1ccncc1)CC 4a_100000189768_100000747743 [1,1,0,0,0,0|1,0,0]=3 238 B15R1.652 C=CC(=NNC(=O)c1ccncn1)CC 4a_100000084330_100000747743 [1,1,0,0,0,0|2,0,0]=4 239 B15R1.652 CCC(=NNC(=O)c1ccccc1)CO 4a_100000184135_100000725409 [1,1,0,0,0,0|1,0,1]=4 240 B15R1.652 CCC(=NNC(=O)c1ccncc1)CC 4a_100000189768_100000210860 [1,1,0,0,0,0|1,0,1]=4 241 B15R1.652 CCC(=NNC(=O)c1ccncc1)CO 4a_100000189768_100000725409 [1,1,0,0,0,0|0,0,1]=3 242 B15R1.652 CCC(=NNC(=O)c1ccncn1)CO 4a_100000084330_100000725409 [1,1,0,0,0,0|1,0,1]=4 243 B15R1.652 O=C(NN=C(CF)CF)c1ccncc1 4a_100000189768_100000041867 [1,1,0,0,0,0|1,0,1]=4 244 B15R1.652 O=C(NN=C(CO)CO)c1ccccc1 4a_100000184135_100000036256 [1,1,0,0,0,0|1,0,1]=4 245 B15R1.652 O=C(NN=C(CO)CO)c1ccncc1 4a_100000189768_100000036256 [1,1,0,0,0,0|0,0,1]=3 246 B15R1.652 O=C(NN=C(CO)CO)c1ccncn1 4a_100000084330_100000036256 [1,1,0,0,0,0|1,0,1]=4 247 B15R1.5815 C#CC(=NNC(=O)c1ccncc1C)C 4a_100011996471_100000690481 [1,1,0,0,0,0|1,0,1]=4 248 B15R1.5815 C#CC(=NNC(=O)c1ccncc1F)C 4a_100000702518_100000690481 [1,1,0,0,0,0|1,0,1]=4 249 B15R1.5815 C=CC(=NNC(=O)c1ccccc1Br)C 4a_100000183644_200015361842 [1,1,0,0,0,0|2,0,0]=4 250 B15R1.5815 C=CC(=NNC(=O)c1ccccc1C)C 4a_100000181371_200015361842 [1,1,0,0,0,0|2,0,0]=4 251 B15R1.5815 C=CC(=NNC(=O)c1ccccc1Cl)C 4a_100000186534_200015361842 [1,1,0,0,0,0|2,0,0]=4 252 B15R1.5815 C=CC(=NNC(=O)c1ccccc1F)C 4a_100000183521_200015361842 [1,1,0,0,0,0|2,0,0]=4 253 B15R1.5815 C=CC(=NNC(=O)c1ccccc1I)C 4a_100000190081_200015361842 [1,1,0,0,0,0|2,0,0]=4 254 B15R1.5815 C=CC(=NNC(=O)c1ccncc1C)C 4a_100011996471_200015361842 [1,1,0,0,0,0|1,0,0]=3 255 B15R1.5815 C=CC(=NNC(=O)c1ccncc1F)C 4a_100000702518_200015361842 [1,1,0,0,0,0|1,0,0]=3 256 B15R1.5815 CC(=NNC(=O)c1ccccc1Br)CO 4a_100000183644_100000211253 [1,1,0,0,0,0|1,0,1]=4 257 B15R1.5815 CC(=NNC(=O)c1ccccc1C)CO 4a_100000181371_100000211253 [1,1,0,0,0,0|1,0,1]=4 258 B15R1.5815 CC(=NNC(=O)c1ccccc1Cl)CO 4a_100000186534_100000211253 [1,1,0,0,0,0|1,0,1]=4 259 B15R1.5815 CC(=NNC(=O)c1ccccc1F)CO 4a_100000183521_100000211253 [1,1,0,0,0,0|1,0,1]=4 260 B15R1.5815 CC(=NNC(=O)c1ccccc1I)CO 4a_100000190081_100000211253 [1,1,0,0,0,0|1,0,1]=4 261 B15R1.5815 CC(=NNC(=O)c1ccncc1C)CF 4a_100011996471_100000039719 [1,1,0,0,0,0|1,0,1]=4 262 B15R1.5815 CC(=NNC(=O)c1ccncc1C)CO 4a_100011996471_100000211253 [1,1,0,0,0,0|0,0,1]=3 263 B15R1.5815 CC(=NNC(=O)c1ccncc1F)CF 4a_100000702518_100000039719 [1,1,0,0,0,0|1,0,1]=4 264 B15R1.5815 CC(=NNC(=O)c1ccncc1F)CO 4a_100000702518_100000211253 [1,1,0,0,0,0|0,0,1]=3 265 B15R1.959 C/C(=C/N)/C=NNC(=O)c1ccncc1 4a_100000189768_100050415766 [1,1,0,0,0,0|2,0,0]=4 266 B15R1.959 C/C=C(\C)/C=NNC(=O)c1ccncc1 4a_100000189768_100020587592 [1,1,0,0,0,0|2,0,0]=4 267 B15R1.959 COC(=O)C=NNC(=O)c1ccccc1 4a_100000184135_200011823558 [1,1,0,0,0,0|1,0,0]=3 268 B15R1.959 COC(=O)C=NNC(=O)c1ccccn1 4a_100000184044_200011823558 [1,1,0,0,0,0|2,0,0]=4 269 B15R1.959 COC(=O)C=NNC(=O)c1cccnc1 4a_100000189771_200011823558 [1,1,0,0,0,0|2,0,0]=4 270 B15R1.959 COC(=O)C=NNC(=O)c1ccncc1 4a_100000189768_200011823558 [1,1,0,0,0,0|0,0,0]=2 271 B15R1.959 COC(=O)C=NNC(=O)c1ccncn1 4a_100000084330_200011823558 [1,1,0,0,0,0|1,0,0]=3 272 B15R1.959 O=C(NN=CC(O)CO)c1ccncc1 4a_100000189768_100000033539 [1,1,0,0,0,0|0,0,2]=4 273 B15R1.8019 C=C(C)C=NNC(=O)c1ccncc1C 4a_100011996471_100000210575 [1,1,0,0,0,0|2,0,0]=4 274 B15R1.8019 C=C(C)C=NNC(=O)c1ccncc1F 4a_100000702518_100000210575 [1,1,0,0,0,0|2,0,0]=4 275 B15R1.8273 C=C(C)C=NNC(=O)c1ccnc(c1)Br 4a_100010138526_100000210575 [1,1,0,0,0,0|2,0,0]=4 276 B15R1.8273 C=C(C)C=NNC(=O)c1ccnc(c1)Cl 4a_100000021280_100000210575 [1,1,0,0,0,0|2,0,0]=4 277 B15R1.1321 CC(=NO)C(=NNCc1ccncc1)C 4a_100000736929_100000066335 [1,1,0,0,0,0|1,0,1]=4 278 B15R1.1321 COC(=O)C(=NNCc1ccccc1)C 4a_100000007032_100000211753 [1,1,0,0,0,0|1,0,1]=4 279 B15R1.1321 COC(=O)C(=NNCc1ccncc1)C 4a_100000736929_100000211753 [1,1,0,0,0,0|0,0,1]=3 280 B15R1.960 CC(=NO)C(=NNC(=O)c1ccc[nH]1)C 4a_100000018271_100000066335 [0,1,0,0,1,0|2,0,0]=4 281 B15R1.960 CC(=NO)C(=NNC(=O)c1ccco1)C 4a_100000185077_100000066335 [0,1,0,0,1,0|2,0,0]=4 282 B15R1.960 CC(=NO)C(=NNC(=O)c1cccs1)C 4a_100000184746_100000066335 [0,1,0,0,1,0|2,0,0]=4 283 B15R1.960 CC(=NO)C(=NNC(=O)c1ccoc1)C 4a_100000233958_100000066335 [0,1,0,0,1,0|2,0,0]=4 284 B15R1.960 CC(=NO)C(=NNC(=O)c1ccsc1)C 4a_100000193922_100000066335 [0,1,0,0,1,0|2,0,0]=4 285 B15R1.960 CC(=NO)C(=NNC(=O)c1cn[nH]c1)C 4a_100011317056_100000066335 [0,1,0,0,1,0|2,0,0]=4 286 B15R1.960 CC(=NO)C(=NNC(=O)c1cnco1)C 4a_100000081316_100000066335 [0,1,0,0,1,0|2,0,0]=4 287 B15R1.960 CC(=NO)C(=NNC(=O)c1cncs1)C 4a_200000241815_100000066335 [0,1,0,0,1,0|2,0,0]=4 288 B15R1.960 COC(=O)C(=NNC(=O)c1cc[nH]n1)C 4a_100011273208_100000211753 [0,1,0,0,1,0|1,0,1]=4 289 B15R1.960 COC(=O)C(=NNC(=O)c1ccc[nH]1)C 4a_100000018271_100000211753 [0,1,0,0,1,0|1,0,0]=3 290 B15R1.960 COC(=O)C(=NNC(=O)c1ccco1)C 4a_100000185077_100000211753 [0,1,0,0,1,0|1,0,0]=3 291 B15R1.960 COC(=O)C(=NNC(=O)c1cccs1)C 4a_100000184746_100000211753 [0,1,0,0,1,0|1,0,0]=3 292 B15R1.960 COC(=O)C(=NNC(=O)c1ccoc1)C 4a_100000233958_100000211753 [0,1,0,0,1,0|1,0,0]=3 293 B15R1.960 COC(=O)C(=NNC(=O)c1ccsc1)C 4a_100000193922_100000211753 [0,1,0,0,1,0|1,0,0]=3 294 B15R1.960 COC(=O)C(=NNC(=O)c1cn[nH]c1)C 4a_100011317056_100000211753 [0,1,0,0,1,0|1,0,0]=3 295 B15R1.960 COC(=O)C(=NNC(=O)c1cnco1)C 4a_100000081316_100000211753 [0,1,0,0,1,0|1,0,0]=3 296 B15R1.960 COC(=O)C(=NNC(=O)c1cncs1)C 4a_200000241815_100000211753 [0,1,0,0,1,0|1,0,0]=3 297 B15R1.960 COC(=O)C(=NNC(=O)c1cocn1)C 4a_100000084333_100000211753 [0,1,0,0,1,0|2,0,0]=4 298 B15R1.960 COC(=O)C(=NNC(=O)c1cscn1)C 4a_100011794543_100000211753 [0,1,0,0,1,0|2,0,0]=4 299 B15R1.960 COC(=O)C(=NNC(=O)c1nccs1)C 4a_100000077877_100000211753 [0,1,0,0,1,0|2,0,0]=4 300 B15R1.960 COC(=O)C(=NNC(=O)c1nnc[nH]1)C 4a_100011787719_100000211753 [0,1,0,0,1,0|2,0,0]=4 301 B17R1.1231 COC(=O)CC(=NNC(=O)c1ccccc1)C 4a_100000184135_100000210079 [0,1,0,0,0,1|1,0,0]=3 302 B17R1.1231 COC(=O)CC(=NNC(=O)c1ccccn1)C 4a_100000184044_100000210079 [0,1,0,0,0,1|2,0,0]=4 303 B17R1.1231 COC(=O)CC(=NNC(=O)c1cccnc1)C 4a_100000189771_100000210079 [0,1,0,0,0,1|2,0,0]=4 304 B17R1.1231 COC(=O)CC(=NNC(=O)c1ccncc1)C 4a_100000189768_100000210079 [0,1,0,0,0,1|0,0,0]=2 305 B17R1.1231 COC(=O)CC(=NNC(=O)c1ccncn1)C 4a_100000084330_100000210079 [0,1,0,0,0,1|1,0,0]=3 306 B17R1.1231 COC(=O)CC(=O)NNC(=O)c1ccncc1 22a_100000189768_100000211351 [0,1,0,0,0,1|1,0,1]=4 307 B17R1.14341 CC(CNCC(=O)c1ccnc(c1)Cl)C(=O)O 269956a_100000749485_100009817076 [0,1,0,0,0,1|1,0,1]=4 308 B17R1.16182 CC(C)(CNCC(=O)c1ccncc1)C(=O)O 269956a_100000693527_100000027454 [0,1,0,0,0,1|1,0,1]=4 309 B17R1.16182 CC(C)(ONCC(=O)c1ccncc1)C(=O)O 269956a_100016989451_100000027454 [0,1,0,0,0,1|1,0,1]=4 310 B17R1.1784 C/C=C(\C)/C(=NNC(=O)Cc1ccncc1)C 4a_100000766356_100020675665 [0,1,0,0,0,1|2,0,0]=4 311 B17R1.1784 CC(=NNC(=O)Cc1ccncc1)C(C)CO 4a_100000766356_100000032740 [0,1,0,0,0,1|1,0,1]=4 312 B17R1.1784 CC(=NO)C(=NNC(=O)Cc1ccccc1)C 4a_100000182964_100000066335 [0,1,0,0,0,1|2,0,0]=4 313 B17R1.1784 CC(=NO)C(=NNC(=O)Cc1ccncc1)C 4a_100000766356_100000066335 [0,1,0,0,0,1|1,0,0]=3 314 B17R1.1784 COC(=O)C(=NNC(=O)C[n+]1ccccc1)C 4a_100000199085_100000211753 [0,1,0,0,0,1|2,0,0]=4 315 B17R1.1784 COC(=O)C(=NNC(=O)Cc1ccccc1)C 4a_100000182964_100000211753 [0,1,0,0,0,1|1,0,0]=3 316 B17R1.1784 COC(=O)C(=NNC(=O)Cc1ccccn1)C 4a_200000059813_100000211753 [0,1,0,0,0,1|2,0,0]=4 317 B17R1.1784 COC(=O)C(=NNC(=O)Cc1ccncc1)C 4a_100000766356_100000211753 [0,1,0,0,0,1|0,0,0]=2 318 B17R1.104751 CC(=NNC(=O)Cc1ccncc1)C(C)(C)O 4a_100000766356_100000747739 [0,1,0,0,0,1|1,0,1]=4 319 B17R1.1196 CC(=NO)C(=NNC(=O)c1ccc(cc1)Br)C 4a_100000183614_100000066335 [0,2,0,0,0,0|2,0,0]=4 320 B17R1.1196 CC(=NO)C(=NNC(=O)c1ccc(cc1)C)C 4a_100000189790_100000066335 [0,2,0,0,0,0|2,0,0]=4 321 B17R1.1196 CC(=NO)C(=NNC(=O)c1ccc(cc1)Cl)C 4a_100000184390_100000066335 [0,2,0,0,0,0|2,0,0]=4 322 B17R1.1196 CC(=NO)C(=NNC(=O)c1ccc(cc1)F)C 4a_100000182866_100000066335 [0,2,0,0,0,0|2,0,0]=4 323 B17R1.1196 CC(=NO)C(=NNC(=O)c1ccc(cc1)I)C 4a_100000189773_100000066335 [0,2,0,0,0,0|2,0,0]=4 324 B17R1.1196 COC(=O)C(=NNC(=O)c1ccc(=O)[nH]c1)C 4a_100000189851_100000211753 [0,2,0,0,0,0|2,0,0]=4 325 B17R1.1196 COC(=O)C(=NNC(=O)c1ccc(cc1)Br)C 4a_100000183614_100000211753 [0,2,0,0,0,0|1,0,0]=3 326 B17R1.1196 COC(=O)C(=NNC(=O)c1ccc(cc1)C)C 4a_100000189790_100000211753 [0,2,0,0,0,0|1,0,0]=3 327 B17R1.1196 COC(=O)C(=NNC(=O)c1ccc(cc1)Cl)C 4a_100000184390_100000211753 [0,2,0,0,0,0|1,0,0]=3 328 B17R1.1196 COC(=O)C(=NNC(=O)c1ccc(cc1)F)C 4a_100000182866_100000211753 [0,2,0,0,0,0|1,0,0]=3 329 B17R1.1196 COC(=O)C(=NNC(=O)c1ccc(cc1)I)C 4a_100000189773_100000211753 [0,2,0,0,0,0|1,0,0]=3 330 B17R1.1196 COC(=O)C(=NNC(=O)c1ccc(cn1)Br)C 4a_100011781063_100000211753 [0,2,0,0,0,0|2,0,0]=4 331 B17R1.1196 COC(=O)C(=NNC(=O)c1ccc(cn1)Cl)C 4a_100012017650_100000211753 [0,2,0,0,0,0|2,0,0]=4 332 B17R1.1196 COC(=O)C(=NNC(=O)c1ccc(cn1)F)C 4a_100012021870_100000211753 [0,2,0,0,0,0|2,0,0]=4 333 B17R1.1196 COC(=O)C(=NNC(=O)c1ccc(nc1)C)C 4a_100011193134_100000211753 [0,2,0,0,0,0|2,0,0]=4 334 B17R1.1196 COC(=O)C(=NNC(=O)c1ccc(nc1)Cl)C 4a_100000189807_100000211753 [0,2,0,0,0,0|2,0,0]=4 335 B17R1.629 COC(OC)C(=NNC(=O)c1ccncc1)C 4a_100000189768_100000211384 [0,2,0,0,0,0|0,0,2]=4 336 B17R1.971 C#CCC(=O)/C(=N/NC(=O)c1ccncc1)/C 1458a_200032421479_100000184674 [0,2,0,0,0,0|1,0,0]=3 337 B17R1.971 C/C(=N\NC(=O)c1ccncc1)/C(=O)CC#N 1458a_200032421479_100011214920 [0,2,0,0,0,0|1,0,0]=3 338 B17R1.971 C/C(=N\NC(=O)c1ccncc1)/C(=O)CCF 1458a_200032421479_100011217306 [0,2,0,0,0,0|1,0,0]=3 339 B17R1.971 C/C(=N\NC(=O)c1ccncc1)/C(=O)CCO 1458a_200032421479_100000211926 [0,2,0,0,0,0|0,0,0]=2 340 B17R1.971 C=CCC(=O)/C(=N/NC(=O)c1ccncc1)/C 1458a_200032421479_100000210623 [0,2,0,0,0,0|1,0,0]=3 341 B17R1.971 CCCC(=O)/C(=N/NC(=O)c1ccncc1)/C 1458a_200032421479_100000210303 [0,2,0,0,0,0|1,0,0]=3 342 B17R1.971 CCNC(=O)/C(=N/NC(=O)c1ccncc1)/C 240690a_100015525214_200032421479 [0,2,0,0,0,0|1,0,0]=3 343 B17R1.971 CCOC(=O)C(=NNC(=O)c1ccccc1)C 4a_100000184135_100000209952 [0,2,0,0,0,0|1,0,0]=3 344 B17R1.971 CCOC(=O)C(=NNC(=O)c1ccccn1)C 4a_100000184044_100000209952 [0,2,0,0,0,0|2,0,0]=4 345 B17R1.971 CCOC(=O)C(=NNC(=O)c1cccnc1)C 4a_100000189771_100000209952 [0,2,0,0,0,0|2,0,0]=4 346 B17R1.971 CCOC(=O)C(=NNC(=O)c1ccncc1)C 4a_100000189768_100000209952 [0,2,0,0,0,0|0,0,0]=2 347 B17R1.971 CCOC(=O)C(=NNC(=O)c1ccncn1)C 4a_100000084330_100000209952 [0,2,0,0,0,0|1,0,0]=3 348 B17R1.971 CNNC(=O)/C(=N/NC(=O)c1ccncc1)/C 22a_100016993582_200032421479 [0,2,0,0,0,0|1,0,0]=3 349 B17R1.1197 C/C=C(\C)/C(=NNC(=O)c1ccnc(c1)Br)C 4a_100010138526_100020675665 [0,2,0,0,0,0|2,0,0]=4 350 B17R1.1197 C/C=C(\C)/C(=NNC(=O)c1ccnc(c1)Cl)C 4a_100000021280_100020675665 [0,2,0,0,0,0|2,0,0]=4 351 B17R1.1197 CC(=NNC(=O)c1ccnc(c1)Br)C(C)CO 4a_100010138526_100000032740 [0,2,0,0,0,0|1,0,1]=4 352 B17R1.1197 CC(=NNC(=O)c1ccnc(c1)Cl)C(C)CO 4a_100000021280_100000032740 [0,2,0,0,0,0|1,0,1]=4 353 B17R1.1197 CC(=NO)C(=NNC(=O)c1cccc(c1)Br)C 4a_100000189783_100000066335 [0,2,0,0,0,0|2,0,0]=4 354 B17R1.1197 CC(=NO)C(=NNC(=O)c1cccc(c1)C)C 4a_100000189845_100000066335 [0,2,0,0,0,0|2,0,0]=4 355 B17R1.1197 CC(=NO)C(=NNC(=O)c1cccc(c1)Cl)C 4a_100000183659_100000066335 [0,2,0,0,0,0|2,0,0]=4 356 B17R1.1197 CC(=NO)C(=NNC(=O)c1cccc(c1)F)C 4a_100000189798_100000066335 [0,2,0,0,0,0|2,0,0]=4 357 B17R1.1197 CC(=NO)C(=NNC(=O)c1cccc(c1)I)C 4a_100000186306_100000066335 [0,2,0,0,0,0|2,0,0]=4 358 B17R1.1197 CC(=NO)C(=NNC(=O)c1ccnc(c1)Br)C 4a_100010138526_100000066335 [0,2,0,0,0,0|1,0,0]=3 359 B17R1.1197 CC(=NO)C(=NNC(=O)c1ccnc(c1)Cl)C 4a_100000021280_100000066335 [0,2,0,0,0,0|1,0,0]=3 360 B17R1.1197 COC(=O)C(=NNC(=O)c1cc(ccn1)Br)C 4a_100010175343_100000211753 [0,2,0,0,0,0|2,0,0]=4 361 B17R1.1197 COC(=O)C(=NNC(=O)c1cc(ccn1)Cl)C 4a_100000017052_100000211753 [0,2,0,0,0,0|2,0,0]=4 362 B17R1.1197 COC(=O)C(=NNC(=O)c1cccc(=O)[nH]1)C 4a_200013023864_100000211753 [0,2,0,0,0,0|2,0,0]=4 363 B17R1.1197 COC(=O)C(=NNC(=O)c1cccc(c1)Br)C 4a_100000189783_100000211753 [0,2,0,0,0,0|1,0,0]=3 364 B17R1.1197 COC(=O)C(=NNC(=O)c1cccc(c1)C)C 4a_100000189845_100000211753 [0,2,0,0,0,0|1,0,0]=3 365 B17R1.1197 COC(=O)C(=NNC(=O)c1cccc(c1)Cl)C 4a_100000183659_100000211753 [0,2,0,0,0,0|1,0,0]=3 366 B17R1.1197 COC(=O)C(=NNC(=O)c1cccc(c1)F)C 4a_100000189798_100000211753 [0,2,0,0,0,0|1,0,0]=3 367 B17R1.1197 COC(=O)C(=NNC(=O)c1cccc(c1)I)C 4a_100000186306_100000211753 [0,2,0,0,0,0|1,0,0]=3 368 B17R1.1197 COC(=O)C(=NNC(=O)c1cccc(n1)C)C 4a_100000724394_100000211753 [0,2,0,0,0,0|2,0,0]=4 369 B17R1.1197 COC(=O)C(=NNC(=O)c1cccc(n1)Cl)C 4a_100011631096_100000211753 [0,2,0,0,0,0|2,0,0]=4 370 B17R1.1197 COC(=O)C(=NNC(=O)c1cccc(n1)F)C 4a_100025773536_100000211753 [0,2,0,0,0,0|2,0,0]=4 371 B17R1.1197 COC(=O)C(=NNC(=O)c1ccnc(c1)Br)C 4a_100010138526_100000211753 [0,2,0,0,0,0|0,0,0]=2 372 B17R1.1197 COC(=O)C(=NNC(=O)c1ccnc(c1)Cl)C 4a_100000021280_100000211753 [0,2,0,0,0,0|0,0,0]=2 373 B17R1.1197 COC(=O)C(=NNC(=O)c1cncc(c1)Br)C 4a_100000189809_100000211753 [0,2,0,0,0,0|2,0,0]=4 374 B17R1.6918 CCC(=NNC(=O)c1ccccc1)C(=NO)C 4a_100000184135_200015314630 [0,2,0,0,0,0|2,0,0]=4 375 B17R1.6918 CCC(=NNC(=O)c1ccccc1)C(=O)OC 4a_100000184135_100000688641 [0,2,0,0,0,0|1,0,0]=3 376 B17R1.6918 CCC(=NNC(=O)c1ccccn1)C(=O)OC 4a_100000184044_100000688641 [0,2,0,0,0,0|2,0,0]=4 377 B17R1.6918 CCC(=NNC(=O)c1cccnc1)C(=O)OC 4a_100000189771_100000688641 [0,2,0,0,0,0|2,0,0]=4 378 B17R1.6918 CCC(=NNC(=O)c1ccncc1)C(=NO)C 4a_100000189768_200015314630 [0,2,0,0,0,0|1,0,0]=3 379 B17R1.6918 CCC(=NNC(=O)c1ccncc1)C(=O)OC 4a_100000189768_100000688641 [0,2,0,0,0,0|0,0,0]=2 380 B17R1.6918 CCC(=NNC(=O)c1ccncc1)C(O)CC 4a_100000189768_200011218131 [0,2,0,0,0,0|1,0,1]=4 381 B17R1.6918 CCC(=NNC(=O)c1ccncn1)C(=NO)C 4a_100000084330_200015314630 [0,2,0,0,0,0|2,0,0]=4 382 B17R1.6918 CCC(=NNC(=O)c1ccncn1)C(=O)OC 4a_100000084330_100000688641 [0,2,0,0,0,0|1,0,0]=3 383 B17R1.6918 O=C(NN=C(CO)[C@@H](O)CO)c1ccncc1 4a_100000189768_100015925426 [0,2,0,0,0,0|0,0,2]=4 384 B17R1.24366 C/C=C(\C)/C(=NNC(=O)c1ccncc1C)C 4a_100011996471_100020675665 [0,2,0,0,0,0|2,0,0]=4 385 B17R1.24366 C/C=C(\C)/C(=NNC(=O)c1ccncc1F)C 4a_100000702518_100020675665 [0,2,0,0,0,0|2,0,0]=4 386 B17R1.24366 CC(=NNC(=O)c1ccncc1C)C(C)CO 4a_100011996471_100000032740 [0,2,0,0,0,0|1,0,1]=4 387 B17R1.24366 CC(=NNC(=O)c1ccncc1F)C(C)CO 4a_100000702518_100000032740 [0,2,0,0,0,0|1,0,1]=4 388 B17R1.24366 CC(=NO)C(=NNC(=O)c1ccccc1Br)C 4a_100000183644_100000066335 [0,2,0,0,0,0|2,0,0]=4 389 B17R1.24366 CC(=NO)C(=NNC(=O)c1ccccc1C)C 4a_100000181371_100000066335 [0,2,0,0,0,0|2,0,0]=4 390 B17R1.24366 CC(=NO)C(=NNC(=O)c1ccccc1Cl)C 4a_100000186534_100000066335 [0,2,0,0,0,0|2,0,0]=4 391 B17R1.24366 CC(=NO)C(=NNC(=O)c1ccccc1F)C 4a_100000183521_100000066335 [0,2,0,0,0,0|2,0,0]=4 392 B17R1.24366 CC(=NO)C(=NNC(=O)c1ccccc1I)C 4a_100000190081_100000066335 [0,2,0,0,0,0|2,0,0]=4 393 B17R1.24366 CC(=NO)C(=NNC(=O)c1ccncc1C)C 4a_100011996471_100000066335 [0,2,0,0,0,0|1,0,0]=3 394 B17R1.24366 CC(=NO)C(=NNC(=O)c1ccncc1F)C 4a_100000702518_100000066335 [0,2,0,0,0,0|1,0,0]=3 395 B17R1.24366 COC(=O)C(=NNC(=O)c1ccccc1Br)C 4a_100000183644_100000211753 [0,2,0,0,0,0|1,0,0]=3 396 B17R1.24366 COC(=O)C(=NNC(=O)c1ccccc1C)C 4a_100000181371_100000211753 [0,2,0,0,0,0|1,0,0]=3 397 B17R1.24366 COC(=O)C(=NNC(=O)c1ccccc1Cl)C 4a_100000186534_100000211753 [0,2,0,0,0,0|1,0,0]=3 398 B17R1.24366 COC(=O)C(=NNC(=O)c1ccccc1F)C 4a_100000183521_100000211753 [0,2,0,0,0,0|1,0,0]=3 399 B17R1.24366 COC(=O)C(=NNC(=O)c1ccccc1I)C 4a_100000190081_100000211753 [0,2,0,0,0,0|1,0,0]=3 400 B17R1.24366 COC(=O)C(=NNC(=O)c1cccnc1C)C 4a_100012021714_100000211753 [0,2,0,0,0,0|2,0,0]=4 401 B17R1.24366 COC(=O)C(=NNC(=O)c1ccncc1C)C 4a_100011996471_100000211753 [0,2,0,0,0,0|0,0,0]=2 402 B17R1.24366 COC(=O)C(=NNC(=O)c1ccncc1F)C 4a_100000702518_100000211753 [0,2,0,0,0,0|0,0,0]=2 403 B17R1.9035 CC(=NNC(=O)c1ccncc1C)C(C)(C)O 4a_100011996471_100000747739 [0,2,0,0,0,0|1,0,1]=4 404 B17R1.9035 CC(=NNC(=O)c1ccncc1F)C(C)(C)O 4a_100000702518_100000747739 [0,2,0,0,0,0|1,0,1]=4 405 B17R1.8833 CC(=NNC(=O)c1ccnc(c1)Br)C(C)(C)O 4a_100010138526_100000747739 [0,2,0,0,0,0|1,0,1]=4 406 B17R1.8833 CC(=NNC(=O)c1ccnc(c1)Cl)C(C)(C)O 4a_100000021280_100000747739 [0,2,0,0,0,0|1,0,1]=4 407 B17R1.28382 C=C(C)C(=NNC(=O)c1ccnc(c1)C#N)C 4a_200010748321_100011216138 [0,2,0,0,0,0|2,0,0]=4 408 B17R1.28382 CC(=NNC(=O)c1ccnc(c1)C#N)C(C)O 4a_200010748321_100000212229 [0,2,0,0,0,0|1,0,1]=4 409 B15R2.94 Cc1ncc(cc1O)c2ccncc2 271570a_100000752145_100009864810 [1,0,0,1,0,0|2,0,0]=4 410 B15R2.16439 O=C(NN=C1CCC1)c2ccncc2 4a_100000189768_100000241760 [1,0,0,1,0,0|1,0,1]=4 411 B15R2.16439 O=C(NN=C1COC1)c2ccccc2 4a_100000184135_100000058695 [1,0,0,1,0,0|1,0,1]=4 412 B15R2.16439 O=C(NN=C1COC1)c2ccncc2 4a_100000189768_100000058695 [1,0,0,1,0,0|0,0,1]=3 413 B15R2.16439 O=C(NN=C1COC1)c2ccncn2 4a_100000084330_100000058695 [1,0,0,1,0,0|1,0,1]=4 414 B15R2.16439 O=C(NN=C1CSC1)c2ccncc2 4a_100000189768_100000073008 [1,0,0,1,0,0|0,1,1]=4 415 B17R2.3241 CC1=CC(=NNC(=O)c2ccccc2)CO1 4a_100000184135_200009860027 [0,0,0,1,0,1|2,0,0]=4 416 B17R2.3241 CC1=CC(=NNC(=O)c2ccncc2)CC1 4a_100000189768_100000210602 [0,0,0,1,0,1|2,0,0]=4 417 B17R2.3241 CC1=CC(=NNC(=O)c2ccncc2)CO1 4a_100000189768_200009860027 [0,0,0,1,0,1|1,0,0]=3 418 B17R2.3241 CC1=CC(=NNC(=O)c2ccncn2)CO1 4a_100000084330_200009860027 [0,0,0,1,0,1|2,0,0]=4 419 B17R2.3241 O=C(NN=C1CCC(C1)O)c2ccncc2 4a_100000189768_100012614533 [0,0,0,1,0,1|1,0,1]=4 420 B17R2.3241 O=C1CC(=NNC(=O)c2ccccc2)CO1 4a_100000184135_100000211896 [0,0,0,1,0,1|1,0,0]=3 421 B17R2.3241 O=C1CC(=NNC(=O)c2ccccn2)CO1 4a_100000184044_100000211896 [0,0,0,1,0,1|2,0,0]=4 422 B17R2.3241 O=C1CC(=NNC(=O)c2cccnc2)CO1 4a_100000189771_100000211896 [0,0,0,1,0,1|2,0,0]=4 423 B17R2.3241 O=C1CC(=NNC(=O)c2ccncc2)CO1 4a_100000189768_100000211896 [0,0,0,1,0,1|0,0,0]=2 424 B17R2.3241 O=C1CC(=NNC(=O)c2ccncn2)CO1 4a_100000084330_100000211896 [0,0,0,1,0,1|1,0,0]=3 425 B17R2.138825 CC(=NNC(=O)Cc1ccncc1)C2CO2 4a_100000766356_100000031964 [0,0,0,1,0,1|1,0,1]=4 426 B17R2.3519 CC1=CCCC1=NNC(=O)c2ccncc2 4a_100000189768_100000748914 [0,1,0,1,0,0|2,0,0]=4 427 B17R2.3519 CC1OCCC1=NNC(=O)c2ccncc2 4a_100000189768_100000691750 [0,1,0,1,0,0|1,0,1]=4 428 B17R2.3519 O=C(NN=C1CCC=C1Br)c2ccncc2 4a_100000189768_100000748913 [0,1,0,1,0,0|2,0,0]=4 429 B17R2.3519 O=C(NN=C1CCC=C1O)c2ccccc2 4a_100000184135_100009841096 [0,1,0,1,0,0|2,0,0]=4 430 B17R2.3519 O=C(NN=C1CCC=C1O)c2ccncc2 4a_100000189768_100009841096 [0,1,0,1,0,0|1,0,0]=3 431 B17R2.3519 O=C(NN=C1CCC=C1O)c2ccncn2 4a_100000084330_100009841096 [0,1,0,1,0,0|2,0,0]=4 432 B17R2.3519 O=C(NN=C1CCCC1O)c2ccncc2 4a_100000189768_200000719330 [0,1,0,1,0,0|1,0,1]=4 433 B17R2.20647 CC(=NNC(=O)c1ccncc1C)C2CO2 4a_100011996471_100000031964 [0,1,0,1,0,0|1,0,1]=4 434 B17R2.20647 CC(=NNC(=O)c1ccncc1F)C2CO2 4a_100000702518_100000031964 [0,1,0,1,0,0|1,0,1]=4 435 B17R2.19592 CC(=NNC(=O)c1ccnc(c1)Br)C2CO2 4a_100010138526_100000031964 [0,1,0,1,0,0|1,0,1]=4 436 B17R2.19592 CC(=NNC(=O)c1ccnc(c1)Cl)C2CO2 4a_100000021280_100000031964 [0,1,0,1,0,0|1,0,1]=4 437 B13R1.162 C=CC(=NNC(=O)c1ccc[nH]1)C 4a_100000018271_200015361842 [1,0,0,0,1,0|2,0,0]=4 438 B13R1.162 C=CC(=NNC(=O)c1ccco1)C 4a_100000185077_200015361842 [1,0,0,0,1,0|2,0,0]=4 439 B13R1.162 C=CC(=NNC(=O)c1cccs1)C 4a_100000184746_200015361842 [1,0,0,0,1,0|2,0,0]=4 440 B13R1.162 C=CC(=NNC(=O)c1ccoc1)C 4a_100000233958_200015361842 [1,0,0,0,1,0|2,0,0]=4 441 B13R1.162 C=CC(=NNC(=O)c1ccsc1)C 4a_100000193922_200015361842 [1,0,0,0,1,0|2,0,0]=4 442 B13R1.162 C=CC(=NNC(=O)c1cn[nH]c1)C 4a_100011317056_200015361842 [1,0,0,0,1,0|2,0,0]=4 443 B13R1.162 C=CC(=NNC(=O)c1cnco1)C 4a_100000081316_200015361842 [1,0,0,0,1,0|2,0,0]=4 444 B13R1.162 C=CC(=NNC(=O)c1cncs1)C 4a_200000241815_200015361842 [1,0,0,0,1,0|2,0,0]=4 445 B13R1.162 CC(=NNC(=O)c1ccc[nH]1)CO 4a_100000018271_100000211253 [1,0,0,0,1,0|1,0,1]=4 446 B13R1.162 CC(=NNC(=O)c1ccco1)CO 4a_100000185077_100000211253 [1,0,0,0,1,0|1,0,1]=4 447 B13R1.162 CC(=NNC(=O)c1cccs1)CO 4a_100000184746_100000211253 [1,0,0,0,1,0|1,0,1]=4 448 B13R1.162 CC(=NNC(=O)c1ccoc1)CO 4a_100000233958_100000211253 [1,0,0,0,1,0|1,0,1]=4 449 B13R1.162 CC(=NNC(=O)c1ccsc1)CO 4a_100000193922_100000211253 [1,0,0,0,1,0|1,0,1]=4 450 B13R1.162 CC(=NNC(=O)c1cn[nH]c1)CO 4a_100011317056_100000211253 [1,0,0,0,1,0|1,0,1]=4 451 B13R1.162 CC(=NNC(=O)c1cnco1)CO 4a_100000081316_100000211253 [1,0,0,0,1,0|1,0,1]=4 452 B13R1.162 CC(=NNC(=O)c1cncs1)CO 4a_200000241815_100000211253 [1,0,0,0,1,0|1,0,1]=4 453 B13R1.351 C=C(C)C(=NNc1ccncc1)C 4a_100000698918_100011216138 [1,0,0,0,1,0|2,0,0]=4 454 B13R1.351 CC(=NNc1ccncc1)C(C)O 4a_100000698918_100000212229 [1,0,0,0,1,0|1,0,1]=4 455 B13R1.351 C[C@H](NCc1ccncc1)C(=O)O 269956a_100000743915_100015193705 [1,0,0,0,1,0|0,0,2]=4 456 B15R1.964 C#CC(=NNC(=O)Cc1ccncc1)C 4a_100000766356_100000690481 [1,0,0,0,0,1|1,0,1]=4 457 B15R1.964 C=CC(=NNC(=O)Cc1ccccc1)C 4a_100000182964_200015361842 [1,0,0,0,0,1|2,0,0]=4 458 B15R1.964 C=CC(=NNC(=O)Cc1ccncc1)C 4a_100000766356_200015361842 [1,0,0,0,0,1|1,0,0]=3 459 B15R1.964 CC(=NNC(=O)Cc1ccccc1)CO 4a_100000182964_100000211253 [1,0,0,0,0,1|1,0,1]=4 460 B15R1.964 CC(=NNC(=O)Cc1ccncc1)CF 4a_100000766356_100000039719 [1,0,0,0,0,1|1,0,1]=4 461 B15R1.964 CC(=NNC(=O)Cc1ccncc1)CO 4a_100000766356_100000211253 [1,0,0,0,0,1|0,0,1]=3 462 B15R1.497 CC(=CC=NNC(=O)c1ccncc1)C 4a_100000189768_100011215525 [1,0,0,0,0,1|2,0,0]=4 463 B15R1.497 O=C(O)CONCC(=O)c1ccncc1 269956a_100000106656_100000027454 [1,0,0,0,0,1|1,0,1]=4 464 B15R1.1081 C=C(C)C=NNC(=O)Cc1ccncc1 4a_100000766356_100000210575 [1,0,0,0,0,1|2,0,0]=4 465 B17R1.1327 CC(=O)OCC(=NNC(=O)c1ccccc1)C 4a_100000184135_100000000629 [0,0,0,0,0,2|2,0,0]=4 466 B17R1.1327 CC(=O)OCC(=NNC(=O)c1ccncc1)C 4a_100000189768_100000000629 [0,0,0,0,0,2|1,0,0]=3 467 B17R1.1327 CC(=O)OCC(=NNC(=O)c1ccncn1)C 4a_100000084330_100000000629 [0,0,0,0,0,2|2,0,0]=4 468 B17R1.4469 CC(CNCC(=O)Nc1ccncc1)C(=O)O 269956a_100000749485_100000754145 [0,0,0,0,0,2|1,0,1]=4