0 B9R1.27 CCN1C(=NN=C1S)O CDS012290 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.27 CCN1C(=O)CSC1=S PH009981 [0,0,0,0,0,0|1,1,1]=3 2 B9R1.27 CC[N+]1=C(SC=C1C)C S390151 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.27 O=C1C=CC(=O)N1CO PH006878 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.11 CCN1C=CN=C1Br CBR01693 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.11 CCN1C=NN=C1S CDS013450 [1,0,0,0,0,0|2,1,0]=4 6 B8R1.11 CCN1N=CN=C1Br CBR01775 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.11 CCN1N=CN=C1N CBR00782 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.50 CC1=CC=[N+](N1C)C R461717 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.50 CC1C(=O)COC1=O S839418 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.50 CN1C(=CN=C1I)I SYX00402 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.187 CC1=CC=C(N1CCO)C CDS022902 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.187 CCCN1C(=O)CSC1=S PH010026 [0,1,0,0,0,0|1,1,1]=4 13 B10R1.187 O=C1C=CC(=O)N1CCO PH010005 [0,1,0,0,0,0|0,0,0]=1 14 B10R1.192 CC(C)N1C(=O)CSC1=S PH007022 [0,1,0,0,0,0|1,1,1]=4 15 B10R1.192 NC(=O)N1C(=O)C=CC1=O S432431 [0,1,0,0,0,0|1,0,1]=3 16 B10R1.256 CCN1C(=O)CN(C1=S)C S981966 [0,1,0,0,0,0|1,1,1]=4 17 B10R1.256 CCN1C(=O)NC(=O)C1=O PH016115 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.18 CCC(C(=O)N)C(=O)N PH009400 [0,0,1,0,0,0|3,0,0]=4 19 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [0,0,0,0,0,1|2,0,1]=4 20 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [0,0,0,0,0,1|3,0,0]=4 21 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [0,0,0,0,0,1|3,0,0]=4 22 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,0,0,0,0,1|2,0,1]=4 23 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [0,0,0,0,0,1|2,0,1]=4 24 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [0,0,0,0,0,1|2,0,1]=4 25 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,0,0,0,0,1|2,0,0]=3 26 B7R0.16 CC(=O)N(C)C(=O)C S511196 [1,0,1,0,0,0|0,0,2]=4 27 B7R1.4 CN1C=CN=C1Cl CDS018561 [2,0,0,0,0,0|2,0,0]=4 28 B7R1.4 CN1C=CN=C1I ANV00120 [2,0,0,0,0,0|2,0,0]=4 29 B7R1.4 CN1C=CN=C1I CDS005078 [2,0,0,0,0,0|2,0,0]=4 30 B7R1.4 CN1C=CN=C1N CBR02443 [2,0,0,0,0,0|2,0,0]=4 31 B7R1.4 CN1C=CSC1=N S945749 [2,0,0,0,0,0|2,0,0]=4 32 B7R1.4 CN1N=CC=C1Br CBR02073 [2,0,0,0,0,0|2,0,0]=4 33 B7R1.2 O=C1C=CC(=O)O1 S453374 [2,0,0,0,0,0|1,0,0]=3 34 B9R0.48 C(=C\C(=O)NCC)\C(=O)O S441392 [0,1,1,0,0,0|0,0,0]=2 35 B9R1.14 C(=O)C1=CN=CN1CC CBR00006 [1,1,0,0,0,0|1,0,0]=3 36 B9R1.14 C(=O)C1=NC=NN1CC CBR00310 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.14 CCN1C=CN=C1CO CBR00306 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.14 CCN1C=NC=C1CCl CBR00851 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.22 CCN1N=C(C=C1C)N CBR00033 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.33 CC1=CC=NN1CCCl CBR00210 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.33 CC1=CC=NN1CCN CDS009661 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.33 CC1=NC=CN1CCBr CBR01703 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.33 CC1=NC=CN1CCCl CBR00884 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.33 CC1=NC=CN1CCO CBR00018 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.41 CC(C)N1N=CC=C1Br CBR01598 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.132 CCN1N=CC(=C1C)N CBR02391 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.132 CCN1N=CC(=C1N)C CBR01381 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.37 CC1=C(N(C(=O)N1)C)C CBR02435 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.37 CC1C(=O)CC(=O)C1=O PH004761 [1,1,0,0,0,0|1,0,1]=4 50 B9R1.37 CC1NC(=O)N(C1=O)C CBR02204 [1,1,0,0,0,0|1,0,1]=4 51 B9R1.37 CN1C(=O)NC(=O)C1=O CBR02185 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.182 NCCN1NC(=O)C=CC1=O CBR00788 [0,1,0,0,0,1|0,0,0]=2 53 B11R1.464 CCC1C(=O)NC(=O)NC1=O PH006786 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.605 O=C1CCCC(=O)N1CCCl PH018015 [0,1,0,0,0,1|0,0,2]=4 55 B11R1.465 CCCCN1C(=CC=C1C)C S109886 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.465 CCCCN1C(=O)C=CC1=O R751499 [0,2,0,0,0,0|0,0,0]=2 57 B11R1.465 N#CCCN1C(=O)C=CC1=O R788090 [0,2,0,0,0,0|0,0,0]=2 58 B11R1.465 N#CCCN1C(=O)CCC1=O S551775 [0,2,0,0,0,0|0,0,2]=4 59 B11R1.465 O=C1CNC(=O)N1CCCCl PH000506 [0,2,0,0,0,0|1,0,1]=4 60 B11R1.470 O=C1C(=C(C(=O)N1CCl)Cl)Cl S217921 [0,2,0,0,0,0|1,0,0]=3 61 B11R1.978 CCN1C(=O)/C(=C/Cl)/SC1=S PH007814 [0,2,0,0,0,0|1,1,0]=4 62 B9R1.15 CCN1C=CC=CC1=O S683159 [0,0,1,1,0,0|1,0,0]=3 63 B9R2.20 O=C1C=CC2C1CC2 T178160 [1,0,0,1,0,0|1,0,1]=4 64 B11R2.36 O=C1C=CC2=C(N1)CCC2 T327182 [0,0,0,1,0,1|2,0,0]=4 65 B9R1.3 CC1=CC=CC(=O)N1C T294608 [1,0,0,0,0,1|1,0,0]=3 66 B9R1.3 CN1C(=O)CNCC1=O CDS024599 [1,0,0,0,0,1|0,0,2]=4