0 B5R0.3 CC\C(N)=N\O 4030035 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 CC\C(N)=N\O 4089717 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CNC(=O)CBr 4023689 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 CNC(=O)CCl 4031514 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 CNC(=O)CN 4030580 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 CNC(=O)CO 4032781 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 CNC(C)CO 4028640 [0,0,0,0,0,0|1,0,3]=4 7 B5R0.3 COC(C)C#N 4045776 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 COC(C)CN 4031070 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.3 COC(C)CO 4045600 [0,0,0,0,0,0|1,0,3]=4 10 B4R0.1 CC(=O)CN 4035253 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.1 CC(C)NN 4032832 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 CCC(=N)N 4012617 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 CCC(=N)N 4090083 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.3 CNC(C)C(N)=O 4031071 [0,1,0,0,0,0|1,0,1]=3 15 B6R0.3 COC(C)C(=O)O 4020866 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.3 CSC(C)C(=O)O 4034068 [0,1,0,0,0,0|1,0,1]=3 17 B6R0.3 NC(=O)\C(N)=N\O 4045328 [0,1,0,0,0,0|3,0,0]=4 18 B6R1.2 BrC1=CSN=C1 4039606 [0,0,0,1,0,0|2,1,0]=4 19 B6R1.2 OC1=CNN=C1 4037184 [0,0,0,1,0,0|3,0,0]=4 20 B5R0.1 C=C(C)CNN 4045392 [1,1,0,0,0,0|1,0,1]=4 21 B5R0.1 NC(=O)CCO 4070037 [1,1,0,0,0,0|1,0,1]=4 22 B5R0.1 NCCC(N)=O 4034723 [1,1,0,0,0,0|1,0,1]=4 23 B5R0.5 CC(C)C(=N)N 4034735 [1,1,0,0,0,0|1,0,1]=4 24 B5R0.5 CC(C)C(=N)N 4088764 [1,1,0,0,0,0|1,0,1]=4 25 B7R0.2 CCC(C)CC(C)=O 4031282 [0,2,0,0,0,0|0,0,2]=4 26 B7R0.2 CCN(C)CC(=O)O 4026801 [0,2,0,0,0,0|1,0,1]=4 27 B7R0.2 CCN(C)CC(C)=O 4028374 [0,2,0,0,0,0|1,0,1]=4 28 B7R0.2 CCN(C)CC(C)=O 4088950 [0,2,0,0,0,0|1,0,1]=4 29 B7R0.2 CNC(=O)CC(=O)O 4027258 [0,2,0,0,0,0|2,0,0]=4 30 B7R0.2 CNC(C)CC(=O)O 4035495 [0,2,0,0,0,0|1,0,1]=4 31 B7R0.2 CNC(C)CC(N)=O 4043924 [0,2,0,0,0,0|1,0,1]=4 32 B7R0.5 CC(=O)N(C)CCO 4036108 [0,2,0,0,0,0|1,0,1]=4 33 B7R0.5 CCNC(C)C(N)=O 4030069 [0,2,0,0,0,0|0,0,2]=4 34 B7R0.5 CCNC(C)C(N)=O 4089759 [0,2,0,0,0,0|0,0,2]=4 35 B7R0.5 CCOC(C)C(=O)O 4020873 [0,2,0,0,0,0|0,0,2]=4 36 B7R0.5 CCSC(C)C(=O)O 4028492 [0,2,0,0,0,0|0,0,2]=4 37 B7R0.5 CNCC(C)C(=O)O 4043069 [0,2,0,0,0,0|0,0,2]=4 38 B7R0.10 CCC(C)C(=O)NN 4031480 [0,2,0,0,0,0|0,0,2]=4 39 B7R0.10 CCN(C)C(=O)CCl 4027839 [0,2,0,0,0,0|1,0,1]=4 40 B7R0.10 CNC(=O)C(C)NC 4034384 [0,2,0,0,0,0|1,0,1]=4 41 B7R0.10 CNC(C)C(=O)OC 4044238 [0,2,0,0,0,0|1,0,1]=4 42 B7R0.10 COC(=O)C(=O)NN 4035403 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.10 COC(C)C(=O)NN 4024075 [0,2,0,0,0,0|1,0,1]=4 44 B7R0.13 COC(C)(C)C(=O)O 4021500 [0,2,0,0,0,0|1,0,1]=4 45 B7R0.15 CCC(NC)C(N)=O 4029111 [0,2,0,0,0,0|0,0,2]=4 46 B7R0.15 CCC(OC)C(=O)O 4020880 [0,2,0,0,0,0|0,0,2]=4 47 B7R0.16 CC(=O)C(=O)N(C)C 4051999 [0,2,0,0,0,0|2,0,0]=4 48 B7R0.16 CC(C(=O)O)N(C)C 4028231 [0,2,0,0,0,0|1,0,1]=4 49 B5R1.1 C1=CSN=C1 4036435 [1,0,0,1,0,0|1,1,0]=4 50 B7R1.1 CCC1=CNN=C1 4044718 [0,1,0,1,0,0|2,0,0]=4 51 B7R1.1 NCC1=CSC=C1 4089439 [0,1,0,1,0,0|0,1,1]=4 52 B7R1.1 NCC1=CSC=C1 4100798 [0,1,0,1,0,0|0,1,1]=4 53 B7R1.1 OCC1=CNN=C1 4043566 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.2 CC1=NN=C(C)N1 4030190 [0,1,0,1,0,0|2,0,0]=4 55 B7R1.2 CN1C=C(Br)C=N1 4004341 [0,1,0,1,0,0|2,0,0]=4 56 B7R1.2 CN1C=C(N)C=N1 4019265 [0,1,0,1,0,0|2,0,0]=4 57 B7R1.2 CN1C=C(N)C=N1 4089175 [0,1,0,1,0,0|2,0,0]=4 58 B7R1.3 CC1=CCNCC1 4036573 [0,1,0,1,0,0|1,0,1]=4 59 B7R1.4 CC1=C(Br)N=CS1 4040458 [0,1,0,1,0,0|1,1,0]=4 60 B7R1.4 CC1=C(N)C=NN1 4033144 [0,1,0,1,0,0|2,0,0]=4 61 B7R1.4 CC1=CNN=C1O 4043114 [0,1,0,1,0,0|1,0,1]=4 62 B7R1.4 CC1=NNC=C1Cl 4045387 [0,1,0,1,0,0|2,0,0]=4 63 B7R1.4 CN1C=CNC1=O 4044124 [0,1,0,1,0,0|1,0,1]=4