0 B6R1.2 BrC1=CSC=N1 4108309 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 BrC1=CSN=C1 4039606 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 CC1CNOC1 4040895 [0,0,0,0,0,0|2,1,1]=4 3 B6R1.2 ClC1=NSN=C1 4085357 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 NC1CCOC1 4003522 [0,0,0,0,0,0|1,1,1]=3 5 B6R1.2 O=C1NC=CN1 4029600 [0,0,0,0,0,0|3,0,1]=4 6 B6R1.2 OC1CNOC1 4044152 [0,0,0,0,0,0|1,1,2]=4 7 B5R1.1 C1=CSN=C1 4036435 [1,0,0,0,0,0|1,0,2]=4 8 B5R1.1 C1CNOC1 4013261 [1,0,0,0,0,0|1,1,1]=4 9 B7R1.1 BrCC1CCOC1 4037584 [0,1,0,0,0,0|1,1,1]=4 10 B7R1.1 C=CC1CCNC1 4051562 [0,1,0,0,0,0|2,0,1]=4 11 B7R1.1 CCC1CCNC1 4018760 [0,1,0,0,0,0|2,0,1]=4 12 B7R1.1 COC1CCNC1 4029717 [0,1,0,0,0,0|1,0,2]=4 13 B7R1.1 N#CC1CCOC1 4036887 [0,1,0,0,0,0|1,1,1]=4 14 B7R1.1 NCC1CCCC1 4018103 [0,1,0,0,0,0|2,0,1]=4 15 B7R1.1 NCC1CCCC1 4110554 [0,1,0,0,0,0|2,0,1]=4 16 B7R1.1 NCC1CCOC1 4037969 [0,1,0,0,0,0|1,1,1]=4 17 B7R1.1 NNC1CCOC1 4055519 [0,1,0,0,0,0|1,1,1]=4 18 B7R1.1 OCC1CCNC1 4003674 [0,1,0,0,0,0|1,0,2]=4 19 B7R1.2 CC1CNC(=O)C1 4026755 [0,1,0,0,0,0|2,0,0]=3 20 B7R1.2 CC1CNC(=O)O1 4043936 [0,1,0,0,0,0|3,0,0]=4 21 B7R1.2 CC1COC(=O)N1 4045335 [0,1,0,0,0,0|3,0,0]=4 22 B7R1.2 CN1CCC(N)C1 4035974 [0,1,0,0,0,0|2,0,1]=4 23 B7R1.2 N[C@@H]1CC[C@H](O)C1 4037758 [0,1,0,0,0,0|1,0,2]=4 24 B7R1.4 NC1CCNC1=O 4110613 [0,1,0,0,0,0|2,0,0]=3 25 B7R1.4 N[C@H]1COC[C@@H]1O 4034126 [0,1,0,0,0,0|0,1,2]=4 26 B7R1.4 O[C@@H]1CNC[C@H]1F 4068804 [0,1,0,0,0,0|1,0,2]=4 27 B7R1.4 O[C@@H]1CNC[C@H]1O 4034532 [0,1,0,0,0,0|1,0,2]=4 28 B7R1.14 CC1(C)CCNC1 4018853 [0,1,0,0,0,0|2,0,1]=4 29 B7R1.14 CC1(N)CCCC1 4017355 [0,1,0,0,0,0|2,0,1]=4 30 B5R0.1 C#CCC(=O)O 4035749 [0,0,1,0,0,0|2,0,1]=4 31 B5R0.1 C=C(C)CNN 4045392 [0,0,1,0,0,0|3,0,0]=4 32 B5R0.1 CC(N)CCO 4027026 [0,0,1,0,0,0|1,1,1]=4 33 B5R0.1 CNCC(C)O 4035012 [0,0,1,0,0,0|1,0,2]=4 34 B5R0.1 COCC(=N)N 4018503 [0,0,1,0,0,0|2,1,0]=4 35 B5R0.1 NC(=O)CCO 4070037 [0,0,1,0,0,0|1,1,0]=3 36 B5R0.1 NCCC(N)=O 4034723 [0,0,1,0,0,0|2,0,0]=3 37 B5R0.2 C=CCCCN 4075680 [0,0,1,0,0,0|3,0,0]=4 38 B5R0.2 C=CCCNC 4110731 [0,0,1,0,0,0|2,0,0]=3 39 B5R0.2 CNCCSC 4036386 [0,0,1,0,0,0|2,0,0]=3 40 B5R0.2 COCCNN 4108243 [0,0,1,0,0,0|2,1,0]=4 41 B5R0.3 CC[C@@H](O)CN 4036900 [0,0,1,0,0,0|1,0,2]=4 42 B5R0.3 CC\C(N)=N\O 4030035 [0,0,1,0,0,0|2,1,0]=4 43 B5R0.3 CC\C(N)=N\O 4089717 [0,0,1,0,0,0|2,1,0]=4 44 B5R0.3 CNC(=O)CBr 4023689 [0,0,1,0,0,0|2,0,0]=3 45 B5R0.3 CNC(=O)CCl 4031514 [0,0,1,0,0,0|2,0,0]=3 46 B5R0.3 CNC(=O)CN 4030580 [0,0,1,0,0,0|2,0,0]=3 47 B5R0.3 CNC(=O)CO 4032781 [0,0,1,0,0,0|1,1,0]=3 48 B5R1.2 CC1CCN1 4040985 [0,0,0,0,1,0|2,0,1]=4 49 B5R1.2 FC1CNC1 4108317 [0,0,0,0,1,0|2,0,1]=4 50 B5R1.2 OC1CCC1 4034696 [0,0,0,0,1,0|0,0,2]=3 51 B5R1.2 OC1CNC1 4002252 [0,0,0,0,1,0|1,0,2]=4 52 B5R1.2 OC1CSC1 4042896 [0,0,0,0,1,0|0,0,2]=3 53 B7R1.3 BrC1CCCOC1 4032123 [0,0,0,0,0,1|1,1,1]=4 54 B7R1.3 CC1=CCNCC1 4036573 [0,0,0,0,0,1|2,0,0]=3 55 B7R1.3 CC1CNCCO1 4019021 [0,0,0,0,0,1|2,0,1]=4 56 B7R1.3 C[C@@H]1COCCN1 4037047 [0,0,0,0,0,1|1,1,1]=4 57 B7R1.3 C[C@H]1CNCCO1 4038541 [0,0,0,0,0,1|2,0,1]=4 58 B7R1.3 NC1CCCOC1 4018204 [0,0,0,0,0,1|1,1,1]=4 59 B7R1.3 O=C1CCCSC1 4021743 [0,0,0,0,0,1|0,0,0]=1 60 B7R1.3 O=C1CNCCN1 4102110 [0,0,0,0,0,1|1,0,0]=2 61 B7R1.3 O=C1NCCCO1 4035958 [0,0,0,0,0,1|2,0,0]=3 62 B4R0.1 CC(=O)CN 4035253 [1,0,1,0,0,0|1,0,0]=3 63 B4R0.1 CCC(=N)N 4012617 [1,0,1,0,0,0|2,0,0]=4 64 B4R0.1 CCC(=N)N 4090083 [1,0,1,0,0,0|2,0,0]=4 65 B4R0.2 CCCNN 4085300 [1,0,1,0,0,0|2,0,0]=4 66 B6R0.1 CCCC(=O)NN 3002586 [0,1,1,0,0,0|2,0,0]=4 67 B6R0.1 CCNC(=O)CBr 4023688 [0,1,1,0,0,0|2,0,0]=4 68 B6R0.1 CNC(=O)CCCl 4027989 [0,1,1,0,0,0|1,0,0]=3 69 B6R0.1 CNC(=O)CCO 4035059 [0,1,1,0,0,0|0,1,0]=3 70 B6R0.1 CNCC(=O)NC 4033340 [0,1,1,0,0,0|1,0,0]=3 71 B6R0.1 COC(=O)CCO 4041011 [0,1,1,0,0,0|0,1,0]=3 72 B6R0.1 CSC\C(N)=N\O 4042689 [0,1,1,0,0,0|1,0,1]=4 73 B6R0.3 CNC(C)C(N)=O 4031071 [0,1,1,0,0,0|2,0,0]=4 74 B6R0.3 COC(C)C(=O)O 4020866 [0,1,1,0,0,0|1,1,0]=4 75 B6R0.3 CSC(C)C(=O)O 4034068 [0,1,1,0,0,0|1,0,0]=3 76 B6R0.4 CNCCC(=O)O 4036102 [0,1,1,0,0,0|2,0,0]=4 77 B6R0.4 CNCCC(N)=O 4029061 [0,1,1,0,0,0|2,0,0]=4 78 B6R0.4 COCCC(C)=O 4022132 [0,1,1,0,0,0|0,1,0]=3 79 B6R0.4 CSCCC(=N)N 4042665 [0,1,1,0,0,0|2,0,0]=4 80 B6R0.4 NC(=O)CCCCl 4028442 [0,1,1,0,0,0|2,0,0]=4 81 B6R0.5 CS(=O)(=O)CCCl 4036406 [0,1,1,0,0,0|2,0,0]=4 82 B6R0.5 CS(=O)(=O)CCN 4030796 [0,1,1,0,0,0|2,0,0]=4 83 B6R0.6 C=CCCCCN 4067494 [0,1,1,0,0,0|2,0,0]=4 84 B6R0.6 C=CCNCCC 4031693 [0,1,1,0,0,0|2,0,0]=4 85 B6R0.6 CCCSCCN 4033597 [0,1,1,0,0,0|1,0,1]=4 86 B6R0.6 CCCSCCN 4089004 [0,1,1,0,0,0|1,0,1]=4 87 B6R0.6 COCCN=C=O 4027817 [0,1,1,0,0,0|0,1,1]=4 88 B6R1.5 N[C@H]1C[C@@H](O)C1 4054153 [0,1,0,0,1,0|0,0,2]=4 89 B6R1.5 N[C@H]1C[C@H](O)C1 4046339 [0,1,0,0,1,0|0,0,2]=4 90 B6R1.6 NCC1CCC1 4003518 [0,1,0,0,1,0|1,0,1]=4 91 B6R1.10 CC1(N)CCC1 4042856 [0,1,0,0,1,0|1,0,1]=4 92 B8R1.2 CNC1CCSCC1 4036158 [0,1,0,0,0,1|1,0,1]=4 93 B8R1.2 NCC1=CCCCC1 4019756 [0,1,0,0,0,1|2,0,0]=4 94 B8R1.2 O=CC1=COCCO1 4016981 [0,1,0,0,0,1|0,1,1]=4 95 B8R1.3 CC1=NNC(=O)CC1 3003063 [0,1,0,0,0,1|2,0,0]=4 96 B8R1.3 C[C@@H]1CNC(=O)CN1 4082079 [0,1,0,0,0,1|1,0,0]=3 97 B8R1.3 C[C@H]1CNC(=O)CN1 4084192 [0,1,0,0,0,1|1,0,0]=3 98 B8R1.3 O=C1CCC(O)CC1 4029093 [0,1,0,0,0,1|1,0,0]=3 99 B8R1.3 O=C1NCC(O)CN1 4044966 [0,1,0,0,0,1|2,0,0]=4 100 B8R1.4 CC1CCCC(=O)N1 4027532 [0,1,0,0,0,1|1,0,0]=3 101 B8R1.4 CC1COCC(=O)N1 4028237 [0,1,0,0,0,1|0,1,0]=3 102 B8R1.4 CN1CCC=C(Br)C1 4108273 [0,1,0,0,0,1|2,0,0]=4 103 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,1,0,0,0,1|1,0,0]=3 104 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,1,0,0,0,1|1,0,0]=3 105 B8R1.4 O=C1CNCC(=O)N1 4041602 [0,1,0,0,0,1|1,0,1]=4 106 B8R1.4 O=C1COCC(=O)N1 4045755 [0,1,0,0,0,1|0,1,1]=4 107 B8R1.5 CC1NCCNC1=O 4028234 [0,1,0,0,0,1|1,0,0]=3 108 B8R1.5 CC1OCCNC1=O 4045691 [0,1,0,0,0,1|0,1,0]=3 109 B8R1.5 CC1SCCNC1=O 4044376 [0,1,0,0,0,1|0,0,0]=2 110 B8R1.5 CN1CCCNC1=O 4035075 [0,1,0,0,0,1|2,0,0]=4 111 B8R1.5 CN1CCNCC1=O 4102111 [0,1,0,0,0,1|1,0,0]=3 112 B8R1.5 NC1CCCNC1=O 4002400 [0,1,0,0,0,1|1,0,0]=3 113 B8R1.72 O=S1(=O)CCNCC1 4014927 [0,1,0,0,0,1|2,0,0]=4 114 B8R1.1 NCC1CCC(=O)N1 4110532 [0,2,0,0,0,0|2,0,0]=4 115 B8R1.1 NCC1CNC(=O)C1 4002894 [0,2,0,0,0,0|2,0,0]=4 116 B8R1.1 O=C1CC(CBr)CN1 4076303 [0,2,0,0,0,0|2,0,0]=4 117 B8R1.1 O=C1CC(CO)CN1 4108826 [0,2,0,0,0,0|2,0,0]=4 118 B8R1.1 O=C1CCC(CBr)O1 4085450 [0,2,0,0,0,0|2,0,0]=4 119 B8R1.1 O=C1CCC(CI)N1 4110716 [0,2,0,0,0,0|2,0,0]=4 120 B8R1.7 CC(=O)C1CCCC1 4031395 [0,2,0,0,0,0|1,0,1]=4 121 B8R1.11 CCC1CCNC1=O 4035898 [0,2,0,0,0,0|2,0,0]=4 122 B8R1.18 CN1CC(N)CC1=O 4014078 [0,2,0,0,0,0|2,0,0]=4 123 B8R1.50 CN1CCC(Br)C1=O 4045629 [0,2,0,0,0,0|2,0,0]=4 124 B8R1.50 CN1CCC(N)C1=O 4019955 [0,2,0,0,0,0|2,0,0]=4 125 B8R1.51 CC1(C)CCC(=O)C1 4042132 [0,2,0,0,0,0|1,0,0]=3 126 B8R1.51 CC1(C)CNC(=O)C1 4026748 [0,2,0,0,0,0|2,0,0]=4 127 B8R1.51 CC1(C)COC(=O)C1 4108200 [0,2,0,0,0,0|2,0,0]=4 128 B8R1.51 NC1CCS(=O)(=O)C1 4100768 [0,2,0,0,0,0|2,0,0]=4 129 B8R1.51 O=C1CCS(=O)(=O)C1 4021927 [0,2,0,0,0,0|0,0,1]=3 130 B8R1.51 O=S1(=O)CCC(Br)C1 4011807 [0,2,0,0,0,0|2,0,0]=4 131 B8R1.51 O=S1(=O)CCC(I)C1 4045423 [0,2,0,0,0,0|2,0,0]=4 132 B8R1.51 O=S1(=O)CCC(O)C1 4030368 [0,2,0,0,0,0|2,0,0]=4 133 B8R1.51 O=S1(=O)CCC(S)C1 4003969 [0,2,0,0,0,0|2,0,0]=4 134 B8R1.19 CC1(C)CCNC1=O 4035085 [0,2,0,0,0,0|2,0,0]=4 135 B8R1.22 O=C1CCNCCN1 4131005 [0,0,0,0,0,2|1,0,0]=3 136 B8R1.22 O=C1CCSCCN1 4036022 [0,0,0,0,0,2|0,0,0]=2 137 B8R1.22 O=C1CNCCCN1 4015468 [0,0,0,0,0,2|1,0,0]=3 138 B8R1.22 O=C1CSCCSC1 4004797 [0,0,0,0,0,2|0,0,0]=2