0 B8R1.1 CCC1CCC(C1)C R289752 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 CCN1CCC(C1)N CBR01844 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.1 BrCC1CCCC1 CDS005521 [1,0,0,0,0,0|3,0,0]=4 3 B7R1.1 CC=C1CCCC1 S431559 [1,0,0,0,0,0|3,0,0]=4 4 B7R1.1 CNC1CCCC1 CDS004583 [1,0,0,0,0,0|2,0,1]=4 5 B7R1.1 NCC1CCCC1 SYX00193 [1,0,0,0,0,0|3,0,0]=4 6 B7R1.1 O=CC1CCCO1 CDS005466 [1,0,0,0,0,0|3,0,0]=4 7 B7R1.2 CC1COC(=O)C1 PH007953 [1,0,0,0,0,0|3,0,0]=4 8 B7R1.2 O=C1CC(CO1)O S672874 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [1,0,0,0,0,0|2,0,0]=3 10 B7R1.2 OC1CCC(O1)O S806188 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.7 CCCN1CCC(C1)N CBR01729 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.21 CCN1CCC(C1)CBr CBR01704 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.21 CCN1CCC(C1)CCl CBR00305 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.21 CCN1CCC(C1)CO CBR00419 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.21 OCC1CCC(C1)CO T237035 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.35 CC(=O)N1CCC(C1)O CDS023189 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.35 CC(=O)N1CC[C@@H](C1)O CDS023190 [0,1,0,0,0,0|1,0,0]=2 18 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O CDS009904 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.35 O=C(O)[C@@H]1CC(CN1)O PH018681 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.3 C=CCCC(O)CC PH011335 [0,0,1,0,0,0|3,0,0]=4 21 B7R0.4 COCCCC(C)O S671169 [0,0,1,0,0,0|3,0,0]=4 22 B7R0.12 NCCN(CC)CC S727369 [0,0,1,0,0,0|3,0,0]=4 23 B9R2.39 [C@@H]12CCN(C1)C[C@H]2O PH007931 [0,0,0,1,0,0|2,0,0]=3 24 B9R2.68 C1CN2CCC(C2)N1 CBR01721 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.1 CCC1CCC(CC1)O S504939 [0,0,0,0,0,1|3,0,0]=4 26 B9R1.1 CCN1CCC(CC1)C S647713 [0,0,0,0,0,1|3,0,0]=4 27 B9R1.1 CCN1CCC(CC1)O CDS021469 [0,0,0,0,0,1|2,0,0]=3 28 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CDS000137 [0,0,0,0,0,1|3,0,0]=4 29 B9R1.1 OC[C@H]1CC[C@@H](CC1)O T184683 [0,0,0,0,0,1|2,0,1]=4 30 B9R1.1 OC[C@H]1CC[C@H](CC1)O T184624 [0,0,0,0,0,1|2,0,1]=4 31 B9R1.2 CCN1CCCC(C1)Cl S443654 [0,0,0,0,0,1|3,0,0]=4 32 B6R0.1 CCC(C)NC=O S620394 [1,0,1,0,0,0|2,0,0]=4 33 B6R0.6 CCCCNC=O S550981 [1,0,1,0,0,0|1,0,0]=3 34 B6R0.6 COCCNC=O PH007296 [1,0,1,0,0,0|2,0,0]=4 35 B6R0.9 CCN(CC)CC R156221 [1,0,1,0,0,0|2,0,0]=4 36 B6R1.2 CC1CCNC1 CDS003772 [2,0,0,0,0,0|1,0,0]=3 37 B6R1.2 C[C@@H]1CCNC1 CDS006861 [2,0,0,0,0,0|1,0,0]=3 38 B6R1.2 C[C@H]1CCNC1 CDS009158 [2,0,0,0,0,0|1,0,0]=3 39 B6R1.2 OC1CCCO1 CDS007077 [2,0,0,0,0,0|2,0,0]=4 40 B6R1.2 OC1CNOC1 CBR01544 [2,0,0,0,0,0|1,0,0]=3 41 B6R1.2 O[C@H]1CCNC1 CDS003495 [2,0,0,0,0,0|0,0,0]=2 42 B8R0.15 CC(C)N(C=O)CCO PH000615 [0,1,1,0,0,0|1,0,0]=3 43 B8R0.15 CCN(CCO)C(=O)C PH010390 [0,1,1,0,0,0|1,0,0]=3 44 B8R0.22 C(=O)N(CCO)CCO S617296 [0,1,1,0,0,0|1,0,0]=3 45 B8R1.7 NC(=O)C1CCCC1 EME00440 [1,1,0,0,0,0|2,0,0]=4 46 B8R1.8 ClCCN1CCCC1 CDS008148 [1,1,0,0,0,0|2,0,0]=4 47 B8R1.8 S=C=NC1CCCC1 CDS000716 [1,1,0,0,0,0|1,1,0]=4 48 B8R1.50 CC1CCC(C1O)O S352810 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.50 C[C@H]1[C@@H](CC[C@H]1O)C T297410 [1,1,0,0,0,0|2,0,0]=4 50 B8R1.51 NC1CCS(=O)(=O)C1 PH009969 [1,1,0,0,0,0|2,0,0]=4 51 B8R1.51 NC1CCS(=O)(=O)C1 S172014 [1,1,0,0,0,0|2,0,0]=4 52 B8R1.23 O=C(O)C1CC(C1)O CDS022840 [0,1,0,0,1,0|2,0,0]=4 53 B10R1.1 CCCN1CCC(CC1)O CDS023463 [0,1,0,0,0,1|2,0,0]=4 54 B10R1.1 N#CCN1CCC(CC1)O CDS023038 [0,1,0,0,0,1|2,0,0]=4 55 B10R1.1 NCCN1CCC(CC1)O CDS002685 [0,1,0,0,0,1|2,0,0]=4 56 B10R1.3 O=NN1CCN(CC1)N=O PH009834 [0,1,0,0,0,1|1,0,1]=4 57 B10R1.13 CC(=O)N1CCC(CC1)N CDS010756 [0,1,0,0,0,1|2,0,0]=4 58 B10R1.13 [C@@H]1(CC[C@H](CC1)C(=O)O)O ANV00233 [0,1,0,0,0,1|2,0,0]=4 59 B10R1.113 CC(=O)N1CCCC(C1)N CBR00904 [0,1,0,0,0,1|2,0,0]=4 60 B10R1.113 CC(=O)N1CCCC(C1)O CBR01458 [0,1,0,0,0,1|1,0,0]=3 61 B10R1.113 O=C(O)C1CNCC(C1)O CDS021813 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.14 CCC(=O)N1CCC(C1)O CDS024255 [0,2,0,0,0,0|1,0,0]=3 63 B10R1.31 CC(C)N1CCC(C1)CO CBR00264 [0,2,0,0,0,0|2,0,0]=4 64 B10R1.31 CNC1CCN(C1)C(=O)C PH019360 [0,2,0,0,0,0|2,0,0]=4 65 B8R1.2 CCC1CNCCO1 CDS009046 [0,0,1,1,0,0|2,0,0]=4 66 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [0,0,1,1,0,0|2,0,0]=4 67 B8R1.3 O=C1CCC(CC1)O T292184 [0,0,1,1,0,0|2,0,0]=4 68 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [0,0,1,1,0,0|1,0,0]=3 69 B8R2.38 [C@@H]12CCC([C@@H]1C2)O T227315 [1,0,0,1,0,0|2,0,0]=4 70 B10R2.62 O=C1OC2CCC1CC2 PH008267 [0,0,0,1,0,1|2,0,0]=4 71 B10R2.62 [C@H]12CC[C@H](NC1)C(=O)O2 PH016451 [0,0,0,1,0,1|2,0,0]=4 72 B6R1.4 CC1CCC1=O CDS021461 [1,0,0,0,1,0|2,0,0]=4 73 B6R1.5 CN1CC(C1)N CDS007511 [1,0,0,0,1,0|2,0,0]=4 74 B6R1.5 NC1CC(C1)O CDS022886 [1,0,0,0,1,0|1,0,1]=4 75 B6R1.5 O=C1CC(C1)Br SYX00267 [1,0,0,0,1,0|2,0,0]=4