0 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CO[C@@H](C)CCO M68623 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.1 CC(C)CNN B40316 [1,0,0,0,0,0|3,0,0]=4 3 B5R0.1 CC(C)\C=N\O I2624 [1,0,0,0,0,0|2,1,0]=4 4 B5R0.2 CCCCON B40310 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.3 CC(CBr)CBr D40238 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.3 CC(CO)CO M60880 [1,0,0,0,0,0|1,1,1]=4 7 B5R0.3 CCC(N)CC P40440 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.3 CC[C@@H](N)CO A39144 [1,0,0,0,0,0|1,1,1]=4 9 B5R0.3 CC[C@@H](O)CO B39955 [1,0,0,0,0,0|1,1,1]=4 10 B5R0.3 CC[C@H](N)CO A39145 [1,0,0,0,0,0|1,1,1]=4 11 B5R0.3 CC[C@H](O)CO B39956 [1,0,0,0,0,0|1,1,1]=4 12 B5R0.3 CO[C@@H](C)CN M40313 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.3 CO[C@@H](C)CO M68380 [1,0,0,0,0,0|1,1,1]=4 14 B5R0.3 CO[C@H](C)CN M40312 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.3 CO[C@H](C)CO M68381 [1,0,0,0,0,0|1,1,1]=4 16 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,1,0,0,0,0|1,1,1]=4 17 B7R0.7 CCOC(C)=NC#N E41191 [0,1,0,0,0,0|1,0,2]=4 18 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [0,1,0,0,0,0|1,1,1]=4 19 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.1 CC[C@H]1CCNC1 E22542 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,0,0,1,0,0|1,0,2]=4 22 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,0,0,1,0,0|0,1,2]=4 23 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,0,1,0,0|1,0,2]=4 25 B7R1.6 NCCC1CCC1 C15341 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.6 NNCC1CCC1 C17979 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.21 CC1(CCO)CC1 M22121 [0,0,0,1,0,0|1,1,1]=4 28 B7R1.27 CC[C@]1(C)ON1C E65451 [0,0,0,1,0,0|3,0,0]=4 29 B4R0.1 C=NN(C)C D66909 [2,0,0,0,0,0|1,0,1]=4 30 B4R0.1 CC(C)NN P67395 [2,0,0,0,0,0|1,0,1]=4 31 B4R0.1 CC(C)NO P39934 [2,0,0,0,0,0|0,1,1]=4 32 B4R0.1 CC(C)ON P39935 [2,0,0,0,0,0|2,0,0]=4 33 B4R0.1 CCC(=N)N P39882 [2,0,0,0,0,0|1,0,1]=4 34 B4R0.1 CCC(=N)N P39927 [2,0,0,0,0,0|1,0,1]=4 35 B4R0.1 CC[C@H](C)N B62608 [2,0,0,0,0,0|0,0,1]=3 36 B4R0.1 C[C@@H](Cl)CO C39879 [2,0,0,0,0,0|2,0,0]=4 37 B4R0.1 C[C@@H](N)CN D39937 [2,0,0,0,0,0|1,0,1]=4 38 B4R0.1 C[C@@H](N)CO A13415 [2,0,0,0,0,0|1,0,1]=4 39 B4R0.1 C[C@@H](O)CCl C67728 [2,0,0,0,0,0|1,1,0]=4 40 B4R0.1 C[C@@H](O)CN A67482 [2,0,0,0,0,0|1,1,0]=4 41 B4R0.1 C[C@H](Br)CN B39885 [2,0,0,0,0,0|2,0,0]=4 42 B4R0.1 C[C@H](Cl)CO C39880 [2,0,0,0,0,0|2,0,0]=4 43 B4R0.1 C[C@H](N)CF F62811 [2,0,0,0,0,0|1,0,1]=4 44 B4R0.1 C[C@H](N)CN P39936 [2,0,0,0,0,0|1,0,1]=4 45 B4R0.1 C[C@H](N)CO A13416 [2,0,0,0,0,0|1,0,1]=4 46 B4R0.1 C[C@H](N)CO A69136 [2,0,0,0,0,0|1,0,1]=4 47 B4R0.1 C[C@H](O)CN A69178 [2,0,0,0,0,0|1,1,0]=4 48 B4R0.1 C[C@H](O)CO P60705 [2,0,0,0,0,0|1,1,0]=4 49 B4R0.2 CCCNN P39906 [2,0,0,0,0,0|1,0,1]=4 50 B6R0.6 CCCCN=[N+]=[N-] A1814 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.6 [N-]=[N+]=NCCCN A2033 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.8 C#C[C@@](C)(N)CC M43435 [1,1,0,0,0,0|1,0,1]=4 53 B6R0.8 CC[C@](C)(N)C#N A40368 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.9 CCC(CC)C[Mg+] E31704 [1,1,0,0,0,0|1,0,1]=4 55 B6R1.7 CC1(CN)CC1 M41319 [1,0,0,1,0,0|1,0,1]=4 56 B6R1.7 CC1(CO)CC1 M29792 [1,0,0,1,0,0|0,1,1]=4 57 B6R1.7 CC1(CO)N=N1 M63686 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.10 [N-]=[N+]=NCC1CCC1 A5998 [0,1,0,1,0,0|2,0,0]=4 59 B8R1.8 [N-]=[N+]=NC1CCCC1 A5984 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.8 [N-]=[N+]=N[C@H]1CCOC1 A3365 [0,1,0,1,0,0|2,0,0]=4