0 B13R0.1213 CC[C@H](NCCN[C@H](CO)CC)CO Amb10843180 [0,0,0,0,0,0|0,0,0]=0 1 B13R0.1213 CC[C@H](NCCN[C@H](CO)CC)CO Amb17613834 [0,0,0,0,0,0|0,0,0]=0 2 B13R0.1239 CC(CC)N(C)CCNC(CC)CC Amb19087561 [1,1,0,0,0,0|1,0,0]=3 3 B15R0.2625 CC(C)[C@@H](CO)NCCN[C@H](CO)C(C)C Amb24117839 [0,2,0,0,0,0|0,0,0]=2 4 B15R0.2625 CCC(NCCNC(CC)C(O)=O)C(O)=O Amb22347923 [0,2,0,0,0,0|0,0,2]=4 5 B13R1.8 CC1C(C)OCCN1C(CN)CO Amb25374466 [1,0,0,1,0,0|2,0,0]=4 6 B13R1.8 CC1C(O)CCCN1C(CN)CC Amb25286540 [1,0,0,1,0,0|2,0,0]=4 7 B13R1.8 CCC(C#C)N1CCNC(C)C1C Amb24589959 [1,0,0,1,0,0|1,0,1]=4 8 B13R1.8 CCC(CN)N1CCCC(C)C1C Amb19057786 [1,0,0,1,0,0|2,0,0]=4 9 B13R1.8 CCC(CN)N1CCSC(C)C1C Amb25153503 [1,0,0,1,0,0|2,0,0]=4 10 B13R1.917 CC1CCCN(CC1)C(CN)CO Amb24687656 [1,0,0,1,0,0|2,0,0]=4 11 B13R1.917 CC1CCN(CCN1)C(CC)CC Amb18292612 [1,0,0,1,0,0|1,0,0]=3 12 B13R1.917 CC1CCN(CCS1)C(CN)CO Amb25269123 [1,0,0,1,0,0|2,0,0]=4 13 B13R1.917 CCC(CC)N1CCC(O)CCC1 Amb25128718 [1,0,0,1,0,0|2,0,0]=4 14 B13R1.2171 CC(CC)N1CCCC(CBr)CC1 Amb25032004 [1,0,0,1,0,0|2,0,0]=4 15 B13R1.2171 CC(CC)N1CCCC(CN)CC1 Amb24364014 [1,0,0,1,0,0|2,0,0]=4 16 B13R1.2171 CC(CC)N1CCCC(CO)CC1 Amb25286425 [1,0,0,1,0,0|1,0,0]=3 17 B13R1.2171 CC(CC)N1CCNC(CC1)CC Amb18978929 [1,0,0,1,0,0|1,0,0]=3 18 B13R1.2389 OCC1CCCC(CCCC1)CO Amb24704673 [1,0,0,1,0,0|2,0,0]=4 19 B13R1.2389 OC[C@H]1CCC[C@H](CCCC1)CO Amb25706052 [1,0,0,1,0,0|2,0,0]=4 20 B13R1.39 CCC(C#N)N1CCC(CO)CC1 Amb18324384 [0,0,0,1,1,0|1,0,1]=4 21 B13R1.39 CCC(CC)N1CCC(CN)CC1 Amb19892068 [0,0,0,1,1,0|2,0,0]=4 22 B13R1.415 CCC(CO)NCCC1CCCC1 Amb20091186 [0,0,0,1,1,0|1,0,0]=3 23 B13R1.3046 CC1C(CO)CCN1C(CC)C#N Amb24551840 [0,0,0,1,1,0|1,0,1]=4 24 B15R2.34 CCC1CCC(CC1)NC2COCC2 Amb25343232 [0,0,0,2,0,0|2,0,0]=4 25 B15R2.34 CCC1COC(CC2CCCC2)CN1 Amb24407093 [0,0,0,2,0,0|2,0,0]=4 26 B15R2.34 OCC1CCC(CC1)NC2CCCC2 Amb25089693 [0,0,0,2,0,0|2,0,0]=4 27 B15R2.34 OCC1CCC(CC1)NC2COCC2 Amb24451544 [0,0,0,2,0,0|1,0,0]=3 28 B15R2.34 OCC1CCC(CC1)NC2CSCC2 Amb24535093 [0,0,0,2,0,0|1,1,0]=4 29 B15R2.34 OC[C@@H]1CC[C@H](CC1)NC2CCCC2 Amb25673560 [0,0,0,2,0,0|2,0,0]=4 30 B15R2.34 OC[C@@H]1CC[C@H](CC1)NC2COCC2 Amb25143882 [0,0,0,2,0,0|1,0,0]=3 31 B15R2.34 OC[C@@H]1CC[C@H](CC1)NC2CSCC2 Amb25734890 [0,0,0,2,0,0|1,1,0]=4 32 B15R2.37 CC1CCC1NC2CCC(CO)CC2 Amb25721329 [0,0,0,2,0,0|2,0,0]=4 33 B15R2.4780 CCC1COC2NC(COC2N1)CC Amb25825171 [0,0,0,2,0,0|0,0,0]=2 34 B15R2.58 CCC(CN)N1CCCC12COCC2 Amb25292061 [0,0,0,2,0,0|2,0,0]=4 35 B15R2.4119 CCC1CCN(CCN1)C2CCCC2 Amb18283117 [0,0,0,2,0,0|2,0,0]=4 36 B15R2.4119 ClCC1CCCN(CC1)C2CCOC2 Amb24723760 [0,0,0,2,0,0|2,0,0]=4 37 B15R2.4119 NCC1CCCN(CC1)C2CCOC2 Amb24736987 [0,0,0,2,0,0|2,0,0]=4 38 B15R2.4119 OCC1CCCN(CC1)C2CCNC2 Amb25162299 [0,0,0,2,0,0|2,0,0]=4 39 B15R2.4119 OCC1CCCN(CC1)C2CCOC2 Amb25707375 [0,0,0,2,0,0|1,0,0]=3 40 B15R2.1199 CCC(CC)N1CC2CCC(CC1)N2 Amb24521413 [0,0,0,2,0,0|2,0,0]=4 41 B15R2.26065 CC1CCC1N2CCNC(CC2)CC Amb24417024 [0,0,0,2,0,0|2,0,0]=4 42 B15R2.195065 OCC12CCCCC1(CCCC2)CO Amb24362749 [0,0,0,2,0,0|2,0,0]=4 43 B15R2.195065 OC[C@]12CCCC[C@]1(CCCC2)CO Amb25218153 [0,0,0,2,0,0|2,0,0]=4 44 B15R2.2244 CCC1COC(N1)C2NC(CO2)CC Amb25350576 [0,0,0,2,0,0|0,0,0]=2 45 B15R2.2244 OCC1CCC(N1)C2CCC(CO)N2 Amb25752378 [0,0,0,2,0,0|0,0,0]=2 46 B15R2.2244 OC[C@@H]1CC[C@H](N1)[C@@H]2CC[C@@H](CO)N2 Amb24597688 [0,0,0,2,0,0|0,0,0]=2