0 B6R0.1 C[C@@H](CO)CCO AMY37668 [0,0,0,0,0,0|2,1,1]=4 1 B6R0.1 C[C@H](CN)CCN AMY1782 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 C[C@H](CO)CCO AMY37676 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.1 CC(C)CNN AM806328 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.1 CC(C)CNN AM9787 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 CC(C)CON AMY31434 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.1 CC(C)OCCl AMY23885 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 CC(C)\C=N\O AMY37290 [1,0,0,0,0,0|2,1,0]=4 8 B5R0.1 CCNC(C)C AMY13342 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.2 C#CCCCC AMY1242 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.2 CCCCCBr AMY9378 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.2 CCCCCC AMY22305 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.2 CCCCCN AMY21878 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 CCCCCS AMY19243 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.2 CCCCNN AMY202003284 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.2 CCCNCC AMY13343 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.2 O=C=NCCCl AMY23213 [1,0,0,0,0,0|1,1,0]=3 17 B5R0.3 C=C[C@@H](O)CC AMY851 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.3 CC(CBr)CBr AMY21213 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.3 CC(CI)CI AMY32062 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.3 CCC(N)CC AMY4054 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.3 CCN(C)CC AMY13336 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.3 CC[C@@H](N)CO AM85835 [1,0,0,0,0,0|1,1,1]=4 23 B5R0.3 CC[C@@H](O)CN AMY6653 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.3 CC[C@@H](O)CO AMY40578 [1,0,0,0,0,0|1,1,1]=4 25 B5R0.3 CC[C@H](Br)CBr AMY31902 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.3 CC[C@H](C)CBr AMY28688 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.3 CC[C@H](C)NN AM803011 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.3 CC[C@H](C)NN AM9772 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.3 CC[C@H](N)CO AM85834 [1,0,0,0,0,0|1,1,1]=4 30 B5R0.3 CC[C@H](N)CO AM85988 [1,0,0,0,0,0|1,1,1]=4 31 B5R0.3 CC[C@H](O)CO AMY40584 [1,0,0,0,0,0|1,1,1]=4 32 B5R0.3 CC\C(C)=N\O AM90385 [1,0,0,0,0,0|0,1,1]=3 33 B5R0.3 CO[C@@H](C)CN AMY21775 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.3 C[C@@H](CO)CBr AMY14347 [1,0,0,0,0,0|1,1,1]=4 35 B7R0.2 CCC(C)CC(C)N AMY12579 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.2 CC[C@H](C)NC(N)=O AMY7838 [0,1,0,0,0,0|0,1,2]=4 37 B7R0.7 CCOC(=O)N=C=O AMY771 [0,1,0,0,0,0|1,1,1]=4 38 B7R0.7 CCOC(=O)N=C=S AMY10862 [0,1,0,0,0,0|1,0,1]=3 39 B7R0.10 CC[C@@H](C)[C@@H](N)CO AM20090276 [0,1,0,0,0,0|1,1,1]=4 40 B7R0.12 CCN[C@@H](CC)CO AM807033 [0,1,0,0,0,0|1,0,2]=4 41 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [0,0,0,1,0,0|1,0,2]=4 42 B7R1.1 CC[C@@H]1CCNC1 AMY34410 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.1 CC[C@H]1CCCN1 AMY37675 [0,0,0,1,0,0|1,0,2]=4 44 B7R1.1 CC[C@H]1CCNC1 AMY34423 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,0,0,1,0,0|0,1,2]=4 46 B7R1.2 C[C@@H]1CC[C@@H](C)N1 AMY202003238 [0,0,0,1,0,0|1,0,2]=4 47 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,0,0,1,0,0|1,1,1]=4 48 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,0,0,1,0,0|0,1,2]=4 49 B7R1.2 C[C@H]1CC[C@H](C)N1 AMY202003211 [0,0,0,1,0,0|1,0,2]=4 50 B7R1.3 CC1CCNCC1 AMY23280 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.3 CC1CCOCC1 AMY6168 [0,0,0,1,0,0|1,1,1]=4 52 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,0,0,1,0,0|1,0,2]=4 53 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.3 C[C@H]1CCCNC1 AM86032 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.3 C[C@H]1CCCNC1 AM86033 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.3 C[C@H]1CCCNC1 AMY5569 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.6 NCCC1CCC1 AMY34747 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.6 OCCC1CCC1 AM807009 [0,0,0,1,0,0|1,1,1]=4 59 B4R0.1 C=C=C(C)C AMY42296 [2,0,0,0,0,0|1,0,1]=4 60 B4R0.1 CC(C)=NN AM9761 [2,0,0,0,0,0|1,0,1]=4 61 B4R0.1 CC(C)=NO AM90369 [2,0,0,0,0,0|0,1,1]=4 62 B4R0.1 CC(C)CBr AMY25783 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.1 CC(C)NN AM20090002 [2,0,0,0,0,0|1,0,1]=4 64 B4R0.1 CC(C)NN AMY202003297 [2,0,0,0,0,0|1,0,1]=4 65 B4R0.1 CC(C)ON AM90376 [2,0,0,0,0,0|2,0,0]=4 66 B4R0.1 CCC(=N)N AM803843 [2,0,0,0,0,0|1,0,1]=4 67 B4R0.1 CCC(C)[O-] AMY22246 [2,0,0,0,0,0|0,1,0]=3 68 B4R0.1 CCC(N)=S AMY39288 [2,0,0,0,0,0|1,0,1]=4 69 B4R0.1 CCN(C)C AMY13339 [2,0,0,0,0,0|1,0,1]=4 70 B4R0.1 CC[C@H](C)O AMY11001 [2,0,0,0,0,0|0,1,0]=3 71 B4R0.1 CN(C)C=S AMY40664 [2,0,0,0,0,0|1,0,1]=4 72 B4R0.1 CNC(C)C AMY13353 [2,0,0,0,0,0|0,0,2]=4 73 B4R0.1 C[C@@H](Cl)CO AMY21413 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.1 C[C@@H](N)CN AMY3648 [2,0,0,0,0,0|1,0,1]=4 75 B4R0.1 C[C@H](Cl)CO AMY21357 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.1 C[C@H](N)CN AMY3672 [2,0,0,0,0,0|1,0,1]=4 77 B4R0.1 C[C@H](N)CO AM20090557 [2,0,0,0,0,0|1,0,1]=4 78 B4R0.1 C[C@H](N)CO AM20100507 [2,0,0,0,0,0|1,0,1]=4 79 B4R0.1 C[C@H](O)CN AM20090353 [2,0,0,0,0,0|1,1,0]=4 80 B4R0.1 C[C@H](O)CN AM20100779 [2,0,0,0,0,0|1,1,0]=4 81 B4R0.1 C[C@H](O)CN AM81450 [2,0,0,0,0,0|1,1,0]=4 82 B4R0.1 [Li]CC(C)C AMY14929 [2,0,0,0,0,0|1,0,1]=4 83 B4R0.1 [Li][C@@H](C)CC AMY14890 [2,0,0,0,0,0|1,0,0]=3 84 B4R0.2 CCCCN AMY21914 [2,0,0,0,0,0|1,0,1]=4 85 B4R0.2 CCCNN AM9771 [2,0,0,0,0,0|1,0,1]=4 86 B4R0.2 [Li]CCCC AMY14790 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.5 CC(C)(C)N=C=S AMY23377 [1,1,0,0,0,0|0,0,0]=2 88 B6R0.8 C#C[C@@](C)(O)CC AMY4108 [1,1,0,0,0,0|1,0,1]=4 89 B6R0.8 CC[C@](C)(N)CN AMY40943 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.8 CC[C@](C)(O)CN AMY24170 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.9 C=C[C@@H](CC)CO AMY36984 [1,1,0,0,0,0|1,0,1]=4 92 B6R0.9 CCC(CC)NN AM10003 [1,1,0,0,0,0|1,0,1]=4 93 B6R0.9 CCC(CC)NN AM10008 [1,1,0,0,0,0|1,0,1]=4 94 B6R0.9 CCC(CO)CO AM10034 [1,1,0,0,0,0|0,1,1]=4 95 B6R1.3 S=C=NC1CC1 AM20080903 [1,0,0,1,0,0|0,0,0]=2 96 B6R1.1 C1=NCCCN1 AMY22014 [1,0,0,1,0,0|1,0,1]=4 97 B6R1.7 CC1(CN)CC1 AM806561 [1,0,0,1,0,0|1,0,1]=4 98 B6R1.7 CC1(CN)CC1 AMY19193 [1,0,0,1,0,0|1,0,1]=4 99 B6R1.7 CC1(CO)CC1 AM803621 [1,0,0,1,0,0|0,1,1]=4