0 B9R1.35 CC1=NOC(C(=O)O)C1 BB55-3992 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 O=C1CC(C(=O)O)CS1 BB01-0509 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.35 O=C1NC=C(C(=O)O)N1 BB26-0164 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.35 O=C1NN=C(C(=O)O)N1 BB12-3315 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.7 NC(=O)[C@@H]1CCCN1 BB12-3488 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.14 NNC(=O)C1CCC(=O)N1 BB17-2412 [0,1,0,0,0,0|1,0,0]=2 6 B10R1.58 CN1CC(C(=O)Cl)CC1=O BB12-3015 [0,1,0,0,0,0|3,0,0]=4 7 B10R1.58 CN1CC(C(=O)O)CC1=O BB20-4886 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.58 CN1CC(C(N)=O)CC1=O BB56-2316 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.8 C=CCSC(C)C(=O)O BB12-3266 [0,0,1,0,0,0|3,0,0]=4 10 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [0,0,1,0,0,0|1,0,1]=3 11 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [0,0,1,0,0,0|3,0,0]=4 12 B8R0.9 CCS(=O)CCC(=O)O BB12-3269 [0,0,1,0,0,0|2,0,0]=3 13 B8R0.23 CC(CN(C)C)C(=O)O BB12-1434 [0,0,1,0,0,0|3,0,0]=4 14 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [0,0,1,0,0,0|3,0,0]=4 15 B8R0.28 NC(=O)CCCC(=O)O BB12-2466 [0,0,1,0,0,0|0,0,0]=1 16 B8R0.28 NC(=O)COCC(=O)O BB12-2362 [0,0,1,0,0,0|1,0,0]=2 17 B10R1.13 CN1CCC(C(=O)O)CC1 BB12-2769 [0,0,0,0,0,1|3,0,0]=4 18 B10R1.13 CN1CCC(C(=O)O)CC1 BB56-1999 [0,0,0,0,0,1|3,0,0]=4 19 B10R1.13 NC(=O)C1=NNC(=O)CC1 BB10-0109 [0,0,0,0,0,1|1,0,1]=3 20 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BB12-2030 [0,0,0,0,0,1|0,0,3]=4 21 B10R1.113 CN1CCCC(C(=O)O)C1 BB12-2768 [0,0,0,0,0,1|3,0,0]=4 22 B7R0.3 C=CCNC(=O)CCl BB17-2019 [1,0,1,0,0,0|2,0,0]=4 23 B7R0.3 CCC(=O)NCCN BB12-2323 [1,0,1,0,0,0|1,0,1]=4 24 B7R0.4 C=CCSCC(=O)O BB12-3265 [1,0,1,0,0,0|2,0,0]=4 25 B7R0.4 CCCSCC(=O)O BB12-3263 [1,0,1,0,0,0|1,0,1]=4 26 B7R0.4 CCSCCC(=O)O BB12-3270 [1,0,1,0,0,0|2,0,0]=4 27 B7R0.4 NC(=O)CSCCO BB53-1357 [1,0,1,0,0,0|1,0,1]=4 28 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [1,0,1,0,0,0|0,0,0]=2 29 B7R0.5 CCSC(C)C(=O)O BB12-3261 [1,0,1,0,0,0|1,0,1]=4 30 B7R0.5 CNCC(C)C(=O)O BB12-1637 [1,0,1,0,0,0|2,0,0]=4 31 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [1,0,1,0,0,0|2,0,0]=4 32 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [2,0,0,0,0,0|1,0,1]=4 33 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O BB12-2279 [0,1,1,0,0,0|2,0,0]=4 34 B9R0.24 CCC(=O)NNC(=O)CCl BB12-2775 [0,1,1,0,0,0|2,0,0]=4 35 B9R0.64 CCS(=O)(=O)CCC(=O)O BB12-3368 [0,1,1,0,0,0|2,0,0]=4 36 B9R1.11 COC(=O)C1CCCC1 BB12-2996 [1,1,0,0,0,0|1,0,1]=4 37 B9R1.41 CN1CCCC1C(=O)O BB12-1652 [1,1,0,0,0,0|0,0,1]=3 38 B9R1.41 CN1CSCC1C(=O)O BB12-1635 [1,1,0,0,0,0|1,0,1]=4 39 B9R1.163 CC1(C(=O)O)CCCO1 BB12-1777 [1,1,0,0,0,0|1,0,1]=4 40 B9R1.163 NC1(C(=O)O)CCCC1 BB56-0255 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.22 COC(=O)C1=NNC(=O)CC1 BB10-0105 [0,1,0,0,0,1|0,0,1]=3 42 B11R1.22 NNC(=O)C1=NNC(=O)CC1 BB10-0133 [0,1,0,0,0,1|1,0,1]=4 43 B11R1.23 COC(=O)C1CNNC(=O)C1 BB12-4090 [0,1,0,0,0,1|2,0,0]=4 44 B11R1.226 COC(=O)C1CC(=O)N(C)C1 BB56-2262 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.865 COC(=O)C1CCC(=O)N1C BB12-1465 [0,2,0,0,0,0|0,0,0]=2 46 B7R0.16 CC(C(=O)O)C(=O)O BB20-4558 [0,0,1,0,1,0|1,0,0]=3 47 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,0,1,0,1,0|2,0,0]=4 48 B7R1.18 NC(=O)C1CCC1 BB12-3033 [1,0,0,0,1,0|1,0,1]=4 49 B11R1.497 O=C1CCCCC(C(=O)O)N1 BB20-3012 [0,0,0,0,0,2|0,0,0]=2