0 B6R0.3 CC(C)C(=O)NN BBL013917 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 CC(C)\C(N)=N\O BBL005403 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.3 CNC(=O)C(C)N BBL012983 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 COC(=O)C(C)=O BBL027724 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.3 COC(=O)C(C)Cl BBL100013 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.1 CC(C)=CCO BBL011665 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CC(C)CC=O BBL027631 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 CC(C)CCBr BBL011503 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CC(C)CCS BBL027486 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CC(C)N=C=O BBL037676 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 CCCC(C)O BBL011460 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.3 C=CC(=O)OC BBL011432 [1,0,0,0,0,0|0,0,2]=3 12 B5R0.3 CCC(=O)CC BBL027755 [1,0,0,0,0,0|1,0,0]=2 13 B5R0.3 CCC(=O)NN BBL036933 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.3 CCC(=O)NO BBL011342 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.3 CNC(=O)NC BBL011513 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.3 COC(=O)CO BBL009725 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.3 COC(=O)CS BBL011360 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.3 COC(=O)NN BBL027646 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.5 C=C(C)C(=O)Cl BBL010941 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.5 C=C(C)C(=O)O BBL011616 [1,0,0,0,0,0|0,0,2]=3 21 B5R0.5 C=C(C)C(N)=O BBL011416 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.5 CC(=O)C(=O)O BBL027390 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.5 CC(=O)C(F)F BBL039784 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.5 CC(C)C(=N)N BBL011900 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.5 CC(C)[N+](=O)[O-] BBL011484 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.5 CC(O)C(=O)O BBL027466 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.5 CC(O)C(N)=O BBL012097 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.5 CC(S)C(=O)O BBL011561 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.5 CN(C)C(=N)N BBL029880 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.5 CN(C)C(=O)Cl BBL027301 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.5 CN(C)C(=S)Cl BBL027489 [1,0,0,0,0,0|2,1,0]=4 32 B5R0.5 CN(C)C(=S)[S-] BBL012267 [1,0,0,0,0,0|1,2,0]=4 33 B5R0.5 C[C@H](N)C(N)=O BBL011232 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.5 NC(=O)C(Cl)Cl BBL013005 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.5 O=C(Cl)C(Cl)Cl BBL011412 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.5 O=C(O)C(=O)O BBL003000 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.5 O=C(O)C(Cl)Cl BBL011449 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.5 C=C(C)C(=O)OCC BBL011403 [0,1,0,0,0,0|0,0,2]=3 39 B7R0.5 CCOC(=O)C(=O)Cl BBL027307 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.5 CCOC(=O)C(C)=O BBL027737 [0,1,0,0,0,0|1,0,1]=3 41 B7R0.5 CCOC(=O)C(F)F BBL027798 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.5 CCOC(=O)C(N)=O BBL013006 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.5 CCOC(=O)[C@H](C)O BBL009712 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.10 CNC(=O)C(=O)NC BBL012545 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.10 COC(=O)C(=O)NN BBL011144 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.10 COC(=O)C(=O)OC BBL011507 [0,1,0,0,0,0|1,0,1]=3 47 B7R0.10 COC(=O)C(N)CO BBL028002 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.10 COC(C)C(=O)NN BBL023722 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.14 CC(C)(C)\C(N)=N\O BBL005446 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.14 CC(C)(O)C(=O)NN BBL017864 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.14 CNC(=O)C(C)(C)N BBL022522 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.14 CNC(C)C(C)(C)C BBL024509 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.16 CN(C)C(=N)N(C)C BBL027708 [0,1,0,0,0,0|3,0,0]=4 54 B7R1.4 NC1CCOC1=O BBL027998 [0,0,0,1,0,0|1,0,0]=2 55 B7R1.4 NC1CCSC1=O BBL028068 [0,0,0,1,0,0|1,1,0]=3 56 B7R1.4 NC1CONC1=O BBL016489 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.22 C\C(=N/O)C1CC1 BBL028988 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.22 NNC(=O)C1CC1 BBL008116 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.22 N\C(=N/O)C1CC1 BBL005473 [0,0,0,1,0,0|3,0,0]=4 60 B7R0.2 CC(C)CC(=O)NN BBL016229 [0,0,0,0,0,1|2,0,0]=3 61 B7R0.2 CC(C)NC(=O)CN BBL030729 [0,0,0,0,0,1|2,0,0]=3 62 B7R0.2 CC(O)CC(=O)NN BBL008678 [0,0,0,0,0,1|3,0,0]=4 63 B7R0.2 CNC(C)CC(C)C BBL023276 [0,0,0,0,0,1|2,0,1]=4 64 B7R0.2 COC(=O)CC(C)=O BBL011420 [0,0,0,0,0,1|1,0,1]=3 65 B7R0.2 COC(=O)CC(C)C BBL011395 [0,0,0,0,0,1|0,0,0]=1 66 B4R0.1 C#CC(=O)O BBL011346 [2,0,0,0,0,0|0,0,2]=4 67 B4R0.1 CC(=O)CCl BBL036265 [2,0,0,0,0,0|1,0,0]=3 68 B4R0.1 CC(=O)CO BBL011436 [2,0,0,0,0,0|1,0,0]=3 69 B4R0.1 CC(=O)NN BBL018600 [2,0,0,0,0,0|2,0,0]=4 70 B4R0.1 CC(C)C=O BBL034648 [2,0,0,0,0,0|0,0,0]=2 71 B4R0.1 CC(C)CBr BBL036259 [2,0,0,0,0,0|1,0,1]=4 72 B4R0.1 CC(O)CO BBL011472 [2,0,0,0,0,0|1,0,1]=4 73 B4R0.1 CCC(C)O BBL011463 [2,0,0,0,0,0|0,0,2]=4 74 B4R0.1 CNC(N)=O BBL013131 [2,0,0,0,0,0|2,0,0]=4 75 B4R0.1 COC(=N)N BBL009722 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.1 COC(=O)Cl BBL011482 [2,0,0,0,0,0|1,0,0]=3 77 B4R0.1 COC(N)=O BBL011430 [2,0,0,0,0,0|1,0,0]=3 78 B4R0.1 O=C(Br)CBr BBL027286 [2,0,0,0,0,0|2,0,0]=4 79 B4R0.1 O=C(Cl)CCl BBL013127 [2,0,0,0,0,0|2,0,0]=4 80 B4R0.1 O=C(O)CCl BBL037260 [2,0,0,0,0,0|1,0,0]=3 81 B4R0.2 C\C=C\CO BBL027414 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.1 CNCC(C)OC BBL003985 [1,1,0,0,0,0|1,0,1]=4 83 B6R0.4 CC(C)OCCCl BBL030951 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.5 CNCC(C)(C)C BBL023208 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.8 COS(=O)(=O)OC BBL034656 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.7 CC(C)(C)C(=O)Cl BBL011382 [1,1,0,0,0,0|1,0,0]=3 87 B6R0.7 CC(C)(N)C(=O)O BBL027672 [1,1,0,0,0,0|0,0,0]=2 88 B6R0.7 CC(C)(N)C(N)=O BBL022550 [1,1,0,0,0,0|1,0,0]=3 89 B6R0.7 CC(C)S(=O)(=O)Cl BBL027642 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.7 CC(N)C(C)(C)C BBL037557 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.2 COC(=O)C(N)C(C)C BBL010086 [0,1,0,0,0,1|0,0,0]=2 92 B8R0.5 CC(C)OC(=O)CC#N BBL009730 [0,1,0,0,0,1|1,0,1]=4 93 B8R0.5 CCOC(=O)CC(C)=O BBL012204 [0,1,0,0,0,1|1,0,1]=4 94 B8R0.19 CCC(=O)CC(C)CC BBL011426 [0,1,0,0,0,1|1,0,0]=3 95 B8R0.19 CCC(C)NC(=O)CCl BBL003704 [0,1,0,0,0,1|2,0,0]=4 96 B8R0.19 COC(=O)CC(=O)CCl BBL027316 [0,1,0,0,0,1|1,0,1]=4 97 B8R0.19 COC(=O)CC(=O)OC BBL011438 [0,1,0,0,0,1|1,0,1]=4 98 B8R0.23 CC(C)NC(=O)C(=O)O BBL000516 [0,1,0,0,0,1|2,0,0]=4 99 B8R0.24 CC(C)(C)OC(=O)NN BBL012740 [0,1,0,0,0,1|2,0,0]=4 100 B8R0.3 CCOC(=O)C(Br)CBr BBL011515 [0,2,0,0,0,0|1,0,0]=3 101 B8R0.3 CCOC(=O)C(N)CS BBL030426 [0,2,0,0,0,0|1,0,0]=3 102 B8R0.8 CCCNC(=O)C(C)Cl BBL003709 [0,2,0,0,0,0|2,0,0]=4 103 B8R0.8 CNCCC(=O)N(C)C BBL031686 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.13 CC(C)(CCl)C(=O)NO BBL009275 [0,2,0,0,0,0|2,0,0]=4 105 B8R0.13 CCC(C)(N)C(=O)OC BBL020844 [0,2,0,0,0,0|0,0,0]=2 106 B8R0.20 CCC(CC)C(=O)NN BBL037609 [0,2,0,0,0,0|2,0,0]=4 107 B8R1.4 CC1CCCC(=O)C1 BBL013179 [0,0,0,1,0,1|1,0,0]=3 108 B8R1.5 CC1CCCCC1=O BBL011421 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.5 O=C1CCCCC1Cl BBL011103 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.38 NNC(=O)C1CCC1 BBL037010 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.50 O=C1COC(=O)C1Cl BBL011023 [0,1,0,1,0,0|1,0,1]=4 112 B8R0.9 CC(C)CNC(=O)CN BBL031396 [0,0,0,0,0,2|2,0,0]=4 113 B8R0.9 COC(=O)CCC(C)=O BBL011529 [0,0,0,0,0,2|1,0,1]=4