0 B6R0.5 C=CCS(N)(=O)=O AT20640 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.5 CCCP(=O)(Cl)Cl F17192 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.5 CCNS(N)(=O)=O AT20292 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.5 CCOS(=O)(=O)O 44479 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.5 CCOS(=O)(=O)[O-] D78454 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.5 CCO[P@@](C)(=O)O 88048 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.5 N#CCS(=O)(=O)F AT23189 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.5 N#CCS(N)(=O)=O AT20639 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.5 O=S(=O)(F)CCO AT23207 [0,0,0,0,0,0|1,1,0]=2 9 B5R0.1 CC(=O)CCBr D82681 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 C[C@H](O)CCN D77181 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 C[C@H](O)CCN D77194 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 C[S@](=O)CCN AT24516 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 C[S@](=O)CCN AT24517 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 C[S@](=O)CCO E72546 [1,0,0,0,0,0|1,1,1]=4 15 B5R0.1 NCCC(=O)O T70551 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 NCCC(N)=O AC6190 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 NCC[N+](=O)[O-] AT10581 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 NCC[P@H](=O)O S12399 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.4 COS(=O)(=O)O 44493 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.4 O=S(=O)(Cl)CI AT12636 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.4 [2H]C([2H])(O)CC D99543 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.8 C=CCCS(=O)(=O)[O-] D76580 [0,1,0,0,0,0|1,0,1]=3 23 B7R0.8 CCCOS(=O)(=O)[O-] A11420 [0,1,0,0,0,0|1,0,1]=3 24 B7R0.8 CNCCS(N)(=O)=O AT20776 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.8 COCCS(=O)(=O)F AT23209 [0,1,0,0,0,0|1,1,0]=3 26 B7R0.8 COCCS(N)(=O)=O AT20623 [0,1,0,0,0,0|1,1,0]=3 27 B7R0.8 CS(=O)(=O)NCCN D72874 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.8 CS(=O)(=O)SCCO AT19139 [0,1,0,0,0,0|1,1,0]=3 29 B7R0.8 CSCCS(=O)(=O)Cl AT12633 [0,1,0,0,0,0|1,0,0]=2 30 B7R0.8 NCCCS(N)(=O)=O C77596 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.8 NCCNS(N)(=O)=O D77160 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.8 NS(=O)(=O)CCCF AT20762 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.8 NS(=O)(=O)CCCO C77508 [0,1,0,0,0,0|1,1,0]=3 34 B7R0.8 O=S(=O)(F)CCCCl AT23211 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.8 O=S(=O)(F)CCCF AT23210 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.8 O=S(=O)(F)CCCO AT23208 [0,1,0,0,0,0|1,1,0]=3 37 B7R0.9 CC(C)NS(N)(=O)=O AT20303 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.9 C[C@H](N)CS(C)(=O)=O AT10786 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.9 NS(=O)(=O)CC(=O)O AT20621 [0,1,0,0,0,0|1,1,1]=4 40 B7R0.9 NS(=O)(=O)CC(F)F AT20772 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.9 O=S(=O)(Cl)CC(F)F AT12631 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.11 CCS(=O)(=O)CCN AT25558 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.11 CNS(=O)(=O)CCN 25850 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.11 CNS(=O)(=O)CCO AT20622 [0,1,0,0,0,0|1,1,0]=3 45 B7R0.14 CCN(C)S(N)(=O)=O AT20301 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.14 O=S(=O)(F)[C@@H](Br)CBr AT12014 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.14 O=S1(=O)NCCO1 38526 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.16 O=S1(=O)CC(Cl)C1 20267 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.26 O=S(=O)(F)C1CC1 AT20657 [0,0,0,1,0,0|2,0,0]=3 50 B4R0.1 CC[13C](=O)O D99417 [2,0,0,0,0,0|1,0,0]=3 51 B4R0.1 [15NH2]CC(=O)O 41444 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.2 CNCCS AT25552 [2,0,0,0,0,0|2,0,0]=4 53 B4R0.2 COCCS AT13674 [2,0,0,0,0,0|1,1,0]=4 54 B4R0.2 NCCNO AT14839 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.3 CS(=O)(=O)[O-] A51091 [2,0,0,0,0,0|0,0,1]=3 56 B4R0.3 O=S(=O)(O)O 41448 [2,0,0,0,0,0|0,1,0]=3 57 B4R0.3 O=S(=O)([O-])[O-] D98233 [2,0,0,0,0,0|0,1,1]=4 58 B6R0.1 O=C(CCCl)NO AC8818 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.3 CC[C@H](S)C(=O)O F11548 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.3 C[C@@H](CN)C(=O)O 32005 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.3 NC[C@H](F)C(=O)O 94840 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.3 NC[C@H](F)C(=O)O 94844 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.3 NC[C@H](F)C(=O)O 94847 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.3 N[C@@H](CCl)C(=O)O FD21125 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.3 O=C(O)[C@@H](Br)CF AT22926 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.3 O=C(O)[C@@H](Cl)CO 21136 [1,1,0,0,0,0|1,1,0]=4 67 B6R0.3 [15NH2][C@@H](CO)C(=O)O 41392 [1,1,0,0,0,0|1,1,0]=4 68 B6R0.4 CCNCC(=O)O T72729 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.4 NCCCC(=O)O T70552 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.4 NOCCC(=O)O AT14539 [1,1,0,0,0,0|1,1,0]=4 71 B6R0.7 C[C@@H](N)P(=O)(O)O T71158 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.7 O=S(=O)(Cl)C(F)F F20532 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.8 C=CS(=O)(=O)NC AT20641 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.8 O=S(=O)(CCl)CCl AT13119 [1,1,0,0,0,0|2,0,0]=4 75 B6R0.8 [2H]OS(=O)(=O)O[2H] D99384 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.21 CCOCCS(N)(=O)=O AT20625 [0,2,0,0,0,0|1,1,0]=4 77 B8R0.21 COCCCS(=O)(=O)O AC6285 [0,2,0,0,0,0|0,1,0]=3 78 B8R0.21 COCCCS(N)(=O)=O AT20611 [0,2,0,0,0,0|1,1,0]=4 79 B8R0.21 CS(=O)(=O)CCCCN AT13641 [0,2,0,0,0,0|2,0,0]=4 80 B8R0.21 N#CCCCS(=O)(=O)[O-] AC5989 [0,2,0,0,0,0|1,0,1]=4 81 B8R0.25 CNS(=O)(=O)CCCO AT20612 [0,2,0,0,0,0|1,1,0]=4 82 B8R0.25 CNS(=O)(=O)CCOC AT20626 [0,2,0,0,0,0|1,1,0]=4 83 B8R0.25 CNS(=O)(=O)NCCN AT20315 [0,2,0,0,0,0|2,0,0]=4 84 B8R0.25 CNS(=O)(=O)NCCN AT20319 [0,2,0,0,0,0|2,0,0]=4 85 B8R0.33 CC(C)(N)CS(C)(=O)=O AT10827 [0,2,0,0,0,0|2,0,0]=4 86 B8R0.12 CC(C)S(=O)(=O)CCN D87832 [0,2,0,0,0,0|2,0,0]=4 87 B8R0.17 CC(C)(CN)S(C)(=O)=O AT10858 [0,2,0,0,0,0|2,0,0]=4 88 B6R1.10 O=S1(=O)CCC1 A12652 [1,0,0,1,0,0|1,0,0]=3 89 B6R1.11 O=C(O)[C@@H]1CO1 C10184 [1,0,0,1,0,0|1,1,0]=4 90 B8R1.51 N[C@H]1CCS(=O)(=O)C1 P10035 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.51 N[C@H]1CNS(=O)(=O)C1 E71843 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.51 O=C1CCS(=O)(=O)N1 AT12404 [0,1,0,1,0,0|1,1,0]=4 93 B8R1.51 O=S1(=O)CC[C@H](Br)C1 AC8639 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.55 NS(=O)(=O)C1COC1 C77566 [0,1,0,1,0,0|1,1,0]=4 95 B8R1.56 NS(=O)(=O)NC1CC1 AT20300 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.72 O=S1(=O)COCCN1 P10864 [0,1,0,1,0,0|1,1,0]=4 97 B8R1.73 CC1(N)CS(=O)(=O)C1 AT11149 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.19 C[C@H]1CCOS1(=O)=O D76949 [0,1,0,1,0,0|1,0,0]=3 99 B8R1.70 NS(=O)(=O)C1(Cl)CC1 F52197 [0,1,0,1,0,0|2,0,0]=4