0 B7R0.7 CCNC(C)CCO AIFCHEM-94537419746 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.7 CCN[C@@H](C)CCO AIFCHEM-94537423556 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.7 CCN[C@H](C)CCO AIFCHEM-94537423557 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 CCCNCCO AIFCHEM-94577775848 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.6 CCNCCCO AIFCHEM-94537415438 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.1 C#CCNC(=O)COC AIFCHEM-6221566151 [0,1,0,0,0,0|1,0,2]=4 6 B8R0.1 CC#CC(=O)NCCF AIFCHEM-5800826261 [0,1,0,0,0,0|1,0,2]=4 7 B8R0.1 CCCCN(C)CCC AIFCHEM-94523040043 [0,1,0,0,0,0|2,0,0]=3 8 B8R0.1 CCCN(C)CCSC AIFCHEM-94607179096 [0,1,0,0,0,0|2,0,0]=3 9 B8R0.1 CCCNC(=O)COC AIFCHEM-5791287162 [0,1,0,0,0,0|1,0,0]=2 10 B8R0.3 C#CCC(=O)N(C)CC AIFCHEM-94563265685 [0,1,0,0,0,0|1,0,2]=4 11 B8R0.5 CC(C)CN(C)CCO AIFCHEM-94548507073 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.5 CCCN(C)CC(C)O AIFCHEM-94569013631 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.5 COCC(=O)NC(C)C AIFCHEM-94520550271 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.5 CSCC(=O)NC(C)C AIFCHEM-94520547347 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.22 CCC[C@@H](CO)NCC AIFCHEM-94607957860 [0,1,0,0,0,0|1,0,2]=4 16 B8R0.22 CCC[C@H](CO)NCC AIFCHEM-94537425599 [0,1,0,0,0,0|1,0,2]=4 17 B8R1.6 CCCN1CC(C1)F AIFCHEM-94569020674 [0,0,0,1,0,0|3,0,0]=4 18 B5R0.2 CCNCCF AIFCHEM-94537421854 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.3 CCCNC(=O)CO AIFCHEM-94532683616 [1,1,0,0,0,0|1,0,0]=3 20 B7R0.3 CCNCC(=O)NC AIFCHEM-94562545297 [1,1,0,0,0,0|1,0,0]=3 21 B7R0.1 CCCCNCCC AIFCHEM-94569018116 [1,1,0,0,0,0|0,0,1]=3 22 B7R0.1 CCNCCSCC AIFCHEM-94537422686 [1,1,0,0,0,0|1,0,1]=4 23 B9R0.4 C/C=C/CC(=O)NC(C)C AIFCHEM-94520545588 [0,2,0,0,0,0|1,0,1]=4 24 B9R0.4 CCC#CC(=O)NC(C)C AIFCHEM-94520550067 [0,2,0,0,0,0|1,0,1]=4 25 B9R0.4 CCSCC(=O)NC(C)C AIFCHEM-94580213217 [0,2,0,0,0,0|1,0,0]=3 26 B9R0.5 C#CCC(=O)NCCOC AIFCHEM-6016769030 [0,2,0,0,0,0|0,0,2]=4 27 B9R0.5 C#CCC(=O)NCCSC AIFCHEM-5865843417 [0,2,0,0,0,0|0,0,2]=4 28 B9R0.5 C#CCCNC(=O)CSC AIFCHEM-6065971691 [0,2,0,0,0,0|1,0,1]=4 29 B9R0.5 CCCC(C)NCCCO AIFCHEM-94606112170 [0,2,0,0,0,0|1,0,1]=4 30 B9R0.5 CCNCCC(=O)OCC AIFCHEM-94537421553 [0,2,0,0,0,0|1,0,0]=3 31 B9R0.5 COCCNC(=O)CC#N AIFCHEM-94559910138 [0,2,0,0,0,0|1,0,1]=4 32 B9R0.5 CSCCNC(=O)CSC AIFCHEM-94598929502 [0,2,0,0,0,0|1,0,0]=3 33 B9R0.8 C#CCCC(=O)N(C)CC AIFCHEM-6099605725 [0,2,0,0,0,0|1,0,1]=4 34 B9R0.8 C#CCNC(=O)C(C)CC AIFCHEM-94588313663 [0,2,0,0,0,0|0,0,2]=4 35 B9R0.8 C#CCNC(=O)[C@@H](C)CC AIFCHEM-6216818554 [0,2,0,0,0,0|0,0,2]=4 36 B9R0.8 C#CCNC(=O)[C@H](C)CC AIFCHEM-94588318063 [0,2,0,0,0,0|0,0,2]=4 37 B9R0.8 CCCNC(=O)C(O)CC AIFCHEM-94521379481 [0,2,0,0,0,0|0,0,0]=2 38 B9R0.8 CCCNC(=O)C(O)CO AIFCHEM-94521378500 [0,2,0,0,0,0|1,0,0]=3 39 B9R0.8 CCCNC(=O)[C@@H](O)CC AIFCHEM-94521377603 [0,2,0,0,0,0|0,0,0]=2 40 B9R0.8 CCCNC(=O)[C@H](O)CC AIFCHEM-5875554985 [0,2,0,0,0,0|0,0,0]=2 41 B9R0.8 CCN(C)C(=O)CCC#N AIFCHEM-94563264030 [0,2,0,0,0,0|1,0,1]=4 42 B9R0.8 CCNCC(=O)N(C)OC AIFCHEM-94537423152 [0,2,0,0,0,0|2,0,0]=4 43 B9R0.8 CCOCC(=O)N(C)CC AIFCHEM-6119348986 [0,2,0,0,0,0|1,0,0]=3 44 B9R0.8 O=C(NCCF)C(O)CO AIFCHEM-5871463787 [0,2,0,0,0,0|2,0,0]=4 45 B9R0.18 C/C=C/CC(=O)NCCF AIFCHEM-5871337255 [0,2,0,0,0,0|1,0,1]=4 46 B9R0.18 CCCCC(=O)NCCC AIFCHEM-94534100132 [0,2,0,0,0,0|0,0,0]=2 47 B9R0.18 CCCCC(=O)NCCF AIFCHEM-94534108252 [0,2,0,0,0,0|1,0,0]=3 48 B9R0.18 CCNC[C@H](C)CCCO AIFCHEM-94537418110 [0,2,0,0,0,0|1,0,1]=4 49 B9R0.18 COCCC(=O)NCCF AIFCHEM-5871204007 [0,2,0,0,0,0|1,0,0]=3 50 B9R0.34 C#CC(C)NC(=O)COC AIFCHEM-5770056631 [0,2,0,0,0,0|2,0,0]=4 51 B9R0.34 C#CC(C)NC(=O)CSC AIFCHEM-5770348364 [0,2,0,0,0,0|2,0,0]=4 52 B9R0.34 C#C[C@H](C)NC(=O)COC AIFCHEM-6008466405 [0,2,0,0,0,0|2,0,0]=4 53 B9R0.34 CCCN(C)CC(O)CC AIFCHEM-94569018598 [0,2,0,0,0,0|2,0,0]=4 54 B9R0.34 CCOC(=O)CN(C)CC AIFCHEM-94537422442 [0,2,0,0,0,0|1,0,0]=3 55 B9R0.35 CCNC(=O)[C@H](C)NCC AIFCHEM-94595326854 [0,2,0,0,0,0|1,0,0]=3 56 B9R0.48 C#CCC(=O)NCC(C)C AIFCHEM-94563729590 [0,2,0,0,0,0|0,0,2]=4 57 B9R0.48 CC(C)CNC(=O)CCO AIFCHEM-94563731697 [0,2,0,0,0,0|1,0,0]=3 58 B9R0.48 CCCN(C)CCC(C)C AIFCHEM-94569016119 [0,2,0,0,0,0|2,0,0]=4 59 B9R0.48 CCNC(=O)CNC(=O)C AIFCHEM-5821849821 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.48 CCOC(=O)CNC(=O)C AIFCHEM-94605354824 [0,2,0,0,0,0|1,0,1]=4 61 B9R0.23 CC(C)NC(=O)C(O)CO AIFCHEM-94520549115 [0,2,0,0,0,0|2,0,0]=4 62 B9R0.23 CCC(C)C(=O)NC(C)C AIFCHEM-94520543685 [0,2,0,0,0,0|1,0,0]=3 63 B9R0.23 CCN(C)C(=O)CC(F)F AIFCHEM-94563263893 [0,2,0,0,0,0|2,0,0]=4 64 B9R0.23 CC[C@@H](C)C(=O)NC(C)C AIFCHEM-94520548085 [0,2,0,0,0,0|1,0,0]=3 65 B9R0.23 CC[C@H](C)C(=O)NC(C)C AIFCHEM-94520545874 [0,2,0,0,0,0|1,0,0]=3 66 B9R0.27 CCN(C)C(=O)C(C)OC AIFCHEM-94563267393 [0,2,0,0,0,0|2,0,0]=4 67 B9R0.27 CCN(C)C(=O)C(O)CO AIFCHEM-6099889881 [0,2,0,0,0,0|2,0,0]=4 68 B9R0.27 CCN(C)C(=O)[C@@H](C)OC AIFCHEM-94563265747 [0,2,0,0,0,0|2,0,0]=4 69 B9R0.27 CCN(C)C(=O)[C@H](C)OC AIFCHEM-94563265751 [0,2,0,0,0,0|2,0,0]=4 70 B9R0.37 CCCN(C)C(CC)CC AIFCHEM-94569019480 [0,2,0,0,0,0|2,0,0]=4 71 B9R0.14 CCCN(CC)C[C@H](C)O AIFCHEM-94569021840 [0,2,0,0,0,0|2,0,0]=4 72 B9R0.44 CCCN(C)CC(C)(C)O AIFCHEM-94569021409 [0,2,0,0,0,0|2,0,0]=4 73 B7R1.10 CCN1CC(C1)C AIFCHEM-94537427297 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.7 CCCNC1CC1 AIFCHEM-94573313123 [1,0,0,1,0,0|1,0,0]=3 75 B9R1.7 CCCN1CCC(C1)F AIFCHEM-94569013737 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.7 CCCN1CC[C@@H](C1)F AIFCHEM-94569011947 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.7 CCCN1CC[C@H](C1)F AIFCHEM-94569011948 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.9 CCCCN1CC(C1)C AIFCHEM-94523043610 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.33 CCCN1CCCC1C AIFCHEM-94569019823 [0,1,0,1,0,0|1,0,1]=4 80 B9R1.33 CCCN1CCC[C@@H]1C AIFCHEM-94569013885 [0,1,0,1,0,0|1,0,1]=4 81 B9R1.33 CCCN1CCC[C@H]1C AIFCHEM-94548508901 [0,1,0,1,0,0|1,0,1]=4 82 B9R1.58 CCCN1CC(C1)CF AIFCHEM-94531209098 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.73 COCC(=O)N1CCC1 AIFCHEM-6043254173 [0,1,0,1,0,0|1,0,0]=3 84 B9R1.73 CSCC(=O)N1CCC1 AIFCHEM-5997495404 [0,1,0,1,0,0|1,0,0]=3 85 B9R1.75 CSCC(=O)NC1CC1 AIFCHEM-6145693473 [0,1,0,1,0,0|1,0,0]=3 86 B9R1.100 CCCNC(=O)C1CC1 AIFCHEM-94521375323 [0,1,0,1,0,0|0,0,0]=2 87 B9R1.100 CCNCC(O)C1CC1 AIFCHEM-94537422658 [0,1,0,1,0,0|0,0,2]=4 88 B9R1.136 CCCN1CC(C1)(C)F AIFCHEM-94561279514 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.14 CCC1CCCN1CC AIFCHEM-94537424244 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.43 CCCN(CC)C1CC1 AIFCHEM-94569016503 [0,1,0,1,0,0|2,0,0]=4