0 B14R2.6419 C=CCC1=CNC2=NC=C(C=C12)C ADE001039 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)Br CDS020694 [0,0,0,0,0,0|2,0,1]=3 2 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)O R425710 [0,0,0,0,0,0|1,0,1]=2 3 B14R2.6419 NCCC1=CNC2=CC=C(C=C12)Cl CDS000212 [0,0,0,0,0,0|2,0,1]=3 4 B14R2.6419 NCCC1=CNC2=CC=C(C=C12)F CDS008022 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.1 C=CC[N+]1=CSC2=C1C=CC=C2 S274445 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.1 CN=CC1=CNC2=C1C=CC=C2 PH003895 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.1 N#CCC1=CSC2=C1C=CC=C2 S756601 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.1 NCCC1=CNC2=C1C=CC=C2 R162698 [1,0,0,0,0,0|1,0,1]=3 9 B13R2.1 ON=CC1=CNC2=C1C=CC=C2 PH008937 [1,0,0,0,0,0|1,0,2]=4 10 B13R2.2136 CC1=CC=C2NN=C(C2=C1)CN CDS019387 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.2136 CC1=CN=C2NC=C(C2=C1)C=O ADE001022 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.2136 N#CC1=CNC2=C1C=C(C=C2)Br CDS020921 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.2136 NCC1=CSC2=CC=C(C=C12)Cl PH017357 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.2136 O=CC1=CNC2=NC=C(C=C12)F ADE001019 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.2136 OCC1=CSC2=CC=C(C=C12)Cl CDS014406 [1,0,0,0,0,0|2,0,1]=4 16 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)Cl R102628 [0,1,0,0,0,0|2,0,1]=4 17 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CN(C)C PH010380 [0,1,0,0,0,0|3,0,0]=4 18 B15R2.9410 CC1=CC2=C(C=C1)SC=C2CC(=O)O T316164 [0,1,0,0,0,0|2,0,0]=3 19 B15R2.9410 CC1=CC=C2OC=C(C2=C1)CC(=O)O OTV000388 [0,1,0,0,0,0|2,0,0]=3 20 B15R2.9410 CN(C)CC1=CNC2=C1C=C(C=C2)N CDS018478 [0,1,0,0,0,0|3,0,0]=4 21 B15R2.9410 N1C=C(C2=C1C=CC(=C2)C)CC(=O)N S366080 [0,1,0,0,0,0|1,0,0]=2 22 B15R2.17719 OCCCC1=CNC2=C1C=C(C=C2)Cl OTV000676 [0,1,0,0,0,0|1,0,2]=4 23 B15R2.56233 CN1C=C(C2=CC(=CC=C12)Cl)CCN CDS009009 [0,1,0,0,0,0|2,0,1]=4 24 B15R2.56233 CN1C=C(C2=CC(=CC=C12)F)CCN T312908 [0,1,0,0,0,0|2,0,1]=4 25 B15R2.56717 CC1=CC2=C(C=C1)NC(=C2CCN)C PH017066 [0,1,0,0,0,0|2,0,1]=4 26 B15R3.10591 BrC1=CC=C2NC3=C(C2=C1)CCC3 CDS020817 [0,0,0,1,0,0|2,0,1]=4 27 B15R2.11981 C(=O)NC1=CC=CC2=CC=C(C=C12)O R457132 [0,0,0,0,0,1|2,0,0]=3 28 B12R2.1 BrCC1=CSC2=C1C=CC=C2 CDS020684 [2,0,0,0,0,0|2,0,0]=4 29 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [2,0,0,0,0,0|1,0,0]=3 30 B12R2.1 NCC1=CSC2=C1C=CC=C2 CDS018595 [2,0,0,0,0,0|2,0,0]=4 31 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS009727 [2,0,0,0,0,0|2,0,0]=4 32 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS022347 [2,0,0,0,0,0|2,0,0]=4 33 B12R2.1 OCC1=CSC2=C1C=CC=C2 PH014781 [2,0,0,0,0,0|1,0,1]=4 34 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [2,0,0,0,0,0|1,0,0]=3 35 B12R2.132 CC1=CSC2=CC=C(C=C12)Br CDS015937 [2,0,0,0,0,0|2,0,0]=4 36 B14R1.33 C=CCNC(=S)NC1=CC=C(C=C1)O S674494 [0,1,1,0,0,0|2,0,0]=4 37 B14R2.2 CC(=O)NC1=COC2=C1C=CC=C2 TMT00440 [1,1,0,0,0,0|2,0,0]=4 38 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 L157759 [1,1,0,0,0,0|2,0,0]=4 39 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 S547115 [1,1,0,0,0,0|2,0,0]=4 40 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 R465216 [1,1,0,0,0,0|0,0,0]=2 41 B14R2.2 O=C([O-])CC1CNC2=C1C=CC=C2 R464317 [1,1,0,0,0,0|0,0,2]=4 42 B14R2.2 [NH2+]=C(N)SC1=CNC2=C1C=CC=C2 R750506 [1,1,0,0,0,0|2,0,0]=4 43 B14R2.3 NCCSC1=CNC2=C1C=CC=C2 CDS018492 [1,1,0,0,0,0|1,0,1]=4 44 B14R2.3 [C-]#[N+]CCC1=CNC2=C1C=CC=C2 PH015645 [1,1,0,0,0,0|1,0,1]=4 45 B14R2.95 C=CC(=O)C1=CNC2=C1C=CC=C2 PH010636 [1,1,0,0,0,0|1,0,1]=4 46 B14R2.517 C(=O)CN1C(=O)OC2=CC=CC=C12 CBR00550 [1,1,0,0,0,0|2,0,0]=4 47 B14R2.517 C(=O)NC1C(=O)NC2=C1C=CC=C2 R462373 [1,1,0,0,0,0|1,0,1]=4 48 B14R2.517 C=CCN1C(=S)NC2=C1C=CC=C2 R772313 [1,1,0,0,0,0|2,0,0]=4 49 B14R2.517 N1C(=C(C2=C1C=CC=C2)CCC)C S363812 [1,1,0,0,0,0|1,0,1]=4 50 B14R2.6368 N#CCC1=CNC2=C1C(=CC=C2)Cl R269557 [1,1,0,0,0,0|1,0,1]=4 51 B14R2.5816 CC(=O)C1=CNC2=NC=C(C=C12)C ADE001040 [1,1,0,0,0,0|2,0,0]=4 52 B14R2.5816 CC1=CC2=C(C=C1)NN=C2C(=O)O T324779 [1,1,0,0,0,0|2,0,0]=4 53 B14R2.5816 CC1=CN=C2NC=C(C2=C1)C(=O)O ADE001020 [1,1,0,0,0,0|2,0,0]=4 54 B14R2.5816 O=C(O)C1=CNC2=NC=C(C=C12)Br ADE001006 [1,1,0,0,0,0|2,0,0]=4 55 B14R2.5816 O=C(O)C1=CNC2=NC=C(C=C12)Cl ADE001021 [1,1,0,0,0,0|2,0,0]=4 56 B14R2.5816 O=C(O)C1=CSC2=CC=C(C=C12)Cl CDS014322 [1,1,0,0,0,0|2,0,0]=4 57 B16R2.12129 CC(=O)NC1=CC=CC2=C1C=C(C=C2)O T153478 [0,1,0,0,0,1|2,0,0]=4 58 B16R2.12021 CC1=C(C2=C(C1)C=CC(=C2)F)CC(=O)O CDS021641 [0,2,0,0,0,0|2,0,0]=4 59 B16R2.12021 CC1=CC=C2NC(=O)C(C2=C1)CC(=O)O CBR01145 [0,2,0,0,0,0|1,0,1]=4 60 B16R2.13690 CC(=O)OC1=CNC2=C1C=C(C(=C2)Cl)Br S782785 [0,2,0,0,0,0|2,0,0]=4 61 B16R2.13690 CC1=CC2=C(C=C1C)C(=CO2)CC(=O)O T313882 [0,2,0,0,0,0|2,0,0]=4 62 B16R2.42567 N1C=C(C2=C1C=CC(=C2)OC)CC(=O)N S371807 [0,2,0,0,0,0|0,0,0]=2 63 B14R2.22 NC1=CC(=CC=C1)C2=NNC(=O)C2 CBR00635 [0,0,1,1,0,0|2,0,0]=4 64 B14R2.7150 C(=O)NC1=CC=CC2=C1C=CC=C2 S504084 [1,0,0,0,0,1|2,0,0]=4 65 B14R2.7150 C=CCC1=CC=CC2=C1C=CC=C2 S731293 [1,0,0,0,0,1|2,0,0]=4