0 B6R0.1 CCCC(=O)NN 3002586 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCC\C(N)=N\O 4030621 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CCC\C(N)=N\O 4089955 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 CCNC(=O)CBr 4023688 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCNC(C)CC 4024881 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 CCNC(C)CC 4089770 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 CCNC(C)CO 4027506 [0,0,0,0,0,0|1,0,3]=4 7 B6R0.1 CCOC(C)CN 4029821 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 C=C(C)CNN 4045392 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 NC(=O)CCO 4070037 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 NCCC(N)=O 4034723 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.3 CC\C(N)=N\O 4030035 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.3 CC\C(N)=N\O 4089717 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.5 CC(=O)N(C)CCO 4036108 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.5 CCNC(C)C(N)=O 4030069 [0,1,0,0,0,0|1,0,1]=3 15 B7R0.5 CCNC(C)C(N)=O 4089759 [0,1,0,0,0,0|1,0,1]=3 16 B7R0.5 CCOC(C)C(=O)O 4020873 [0,1,0,0,0,0|1,0,1]=3 17 B7R0.5 CCSC(C)C(=O)O 4028492 [0,1,0,0,0,0|1,0,1]=3 18 B7R0.5 CNCC(C)C(=O)O 4043069 [0,1,0,0,0,0|1,0,2]=4 19 B7R1.2 CN1C=C(Br)C=N1 4004341 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.2 CN1C=C(N)C=N1 4019265 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.2 CN1C=C(N)C=N1 4089175 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.3 CC1=CCNCC1 4036573 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.4 CC1=CNN=C1O 4043114 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.4 CN1C=CNC1=O 4044124 [0,0,0,1,0,0|2,0,1]=4 25 B4R0.1 CC(=O)CN 4035253 [2,0,0,0,0,0|1,0,0]=3 26 B4R0.1 CCC(=N)N 4012617 [2,0,0,0,0,0|2,0,0]=4 27 B4R0.1 CCC(=N)N 4090083 [2,0,0,0,0,0|2,0,0]=4 28 B4R0.2 C=C=CCN 4085485 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.4 CNCCC(=O)O 4036102 [1,1,0,0,0,0|1,0,1]=4 30 B6R0.4 CNCCC(N)=O 4029061 [1,1,0,0,0,0|1,0,1]=4 31 B6R0.4 COCCC(C)=O 4022132 [1,1,0,0,0,0|0,0,1]=3 32 B6R0.4 NC(=O)CCCCl 4028442 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.2 CCN(C)C(C)C(=O)O 4027525 [0,2,0,0,0,0|1,0,1]=4 34 B8R0.23 CC(C)NC(=O)C(=O)O 4030323 [0,2,0,0,0,0|2,0,0]=4 35 B8R0.23 CC(C)OC(C)C(=O)O 4020867 [0,2,0,0,0,0|1,0,1]=4 36 B8R0.3 CCOC(=O)C(=O)CC 4013605 [0,2,0,0,0,0|2,0,0]=4 37 B8R0.3 CCOC(C)C(=O)NN 4024077 [0,2,0,0,0,0|1,0,1]=4 38 B8R0.3 CCOC(C)C(=O)NN 4090202 [0,2,0,0,0,0|1,0,1]=4 39 B8R0.8 CCCNC(=O)C(=O)O 4027289 [0,2,0,0,0,0|1,0,1]=4 40 B8R0.8 CCCOC(C)C(=O)O 4020872 [0,2,0,0,0,0|0,0,2]=4 41 B8R0.12 CCOC(C)(C)C(=O)O 4021501 [0,2,0,0,0,0|1,0,1]=4 42 B8R0.15 CCCC(NC)C(=O)O 4044041 [0,2,0,0,0,0|0,0,2]=4 43 B8R1.1 CC1=CC(C=O)=NN1 4002200 [0,1,0,1,0,0|1,0,1]=4 44 B8R1.1 CC1=CC=C(C=O)N1 4036670 [0,1,0,1,0,0|1,0,1]=4 45 B8R1.1 CC1=CC=C(CN)S1 4100660 [0,1,0,1,0,0|2,0,0]=4 46 B8R1.1 CC1=CNC(C=O)=N1 4301882 [0,1,0,1,0,0|1,0,1]=4 47 B8R1.1 CC1=CNC(CN)=N1 4101883 [0,1,0,1,0,0|2,0,0]=4 48 B8R1.1 CC1=CSC(CCl)=N1 4016915 [0,1,0,1,0,0|1,1,0]=4 49 B8R1.1 CC1=CSC(CN)=N1 4088048 [0,1,0,1,0,0|1,1,0]=4 50 B8R1.1 CC1=CSC(CN)=N1 4101545 [0,1,0,1,0,0|1,1,0]=4 51 B8R1.1 CC1=CSC(CO)=N1 4021474 [0,1,0,1,0,0|1,1,0]=4 52 B8R1.1 CC1=CSC(CO)=N1 4089181 [0,1,0,1,0,0|1,1,0]=4 53 B8R1.1 CC1=NOC(C=O)=C1 4034847 [0,1,0,1,0,0|1,0,1]=4 54 B8R1.1 CCN1C=C(Br)C=N1 4033612 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.1 CCN1C=C(N)C=N1 4029452 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.1 CN1C=C(CCl)C=N1 4901277 [0,1,0,1,0,0|2,0,0]=4 57 B8R1.1 CN1C=C(CN)C=N1 4101278 [0,1,0,1,0,0|2,0,0]=4 58 B8R1.1 CN1C=C(CO)C=N1 4010677 [0,1,0,1,0,0|2,0,0]=4 59 B8R1.1 CN1C=CC(C=O)=C1 4300823 [0,1,0,1,0,0|0,0,2]=4 60 B8R1.4 CC1CCCC(=O)N1 4027532 [0,1,0,1,0,0|0,0,2]=4 61 B8R1.18 CN1CC(N)CC1=O 4014078 [0,1,0,1,0,0|1,0,1]=4 62 B8R1.2 NCC1=CCCCC1 4019756 [0,1,0,1,0,0|1,0,1]=4 63 B8R1.2 O=CC1=COCCO1 4016981 [0,1,0,1,0,0|1,0,0]=3 64 B8R1.5 CC1NCCNC1=O 4028234 [0,1,0,1,0,0|1,0,1]=4 65 B8R1.5 CC1OCCNC1=O 4045691 [0,1,0,1,0,0|1,0,1]=4 66 B8R1.5 CC1SCCNC1=O 4044376 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.5 CN1CCCNC1=O 4035075 [0,1,0,1,0,0|1,0,1]=4 68 B8R1.5 CN1CCNCC1=O 4102111 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.50 CC1=C(N)N(C)N=C1 4014353 [0,1,0,1,0,0|2,0,0]=4 70 B8R1.50 CN1C(=O)CNC1=O 4048943 [0,1,0,1,0,0|2,0,0]=4 71 B8R1.50 CN1CCC(Br)C1=O 4045629 [0,1,0,1,0,0|1,0,1]=4 72 B8R1.50 CN1CCC(N)C1=O 4019955 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.7 CC(=O)C1CCCC1 4031395 [0,1,0,1,0,0|0,0,2]=4 74 B8R1.7 CC(=O)C1CCCO1 4075977 [0,1,0,1,0,0|1,0,1]=4 75 B8R1.7 O=C(O)C1CCCS1 4045536 [0,1,0,1,0,0|1,0,1]=4 76 B8R1.11 CC1=C(CBr)SC=N1 4079532 [0,1,0,1,0,0|1,1,0]=4 77 B8R1.11 CC1=C(CCl)N=CN1 9071243 [0,1,0,1,0,0|2,0,0]=4 78 B8R1.11 CC1=C(CCl)N=CS1 4042701 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.11 CC1=C(CCl)SC=N1 4016923 [0,1,0,1,0,0|1,1,0]=4 80 B8R1.11 CC1=C(CN)NC=N1 4102345 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.11 CC1=C(CN)SC=C1 4004093 [0,1,0,1,0,0|1,1,0]=4 82 B8R1.11 CC1=C(CO)N=CO1 4036331 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.11 CC1=C(CO)N=CS1 4043765 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.11 CC1=C(CO)SC=N1 4027152 [0,1,0,1,0,0|1,1,0]=4 85 B8R1.11 CCC1=NNC=C1Br 4043791 [0,1,0,1,0,0|2,0,0]=4