0 B6R0.5 CCCS(=O)(=O)Cl SBB048026 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.5 CCOS(C)(=O)=O SBB058685 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.5 CS(=O)(=O)CC#N SBB056473 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.5 CS(=O)(=O)CCN SBB047603 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.5 NCCS(N)(=O)=O SBB014994 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.5 NCCS(N)(=O)=O SBB070085 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.5 O=S(=O)(Cl)CCCl SBB048025 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.5 [NH3+]CCS(=O)(=O)[O-] SBB061255 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.1 C#CCC(=O)O SBB116169 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CCCC(=O)Cl SBB040624 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 COCC(=O)O SBB061376 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 CS(=O)CCN SBB050811 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CSCC(=O)O SBB053570 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 O=C(O)CCBr SBB065770 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 O=C(O)CCCl SBB069140 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.4 CCS(=O)(=O)Cl SBB061401 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.4 COS(C)(=O)=O SBB058203 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.4 O=S(=O)(Cl)CCl SBB066601 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.8 CCCCS(=O)(=O)Cl SBB061680 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.8 CNCCS(=O)(=O)O SBB072665 [0,1,0,0,0,0|1,0,0]=2 20 B7R0.8 NCCCP(=O)(O)O SBB004184 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.8 O=S(=O)(Cl)CCCCl SBB016760 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.8 [NH3+]CCCS(C)(=O)=O SBB088827 [0,1,0,0,0,0|2,0,0]=3 23 B7R0.11 CCS(=O)(=O)CCCl SBB019269 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.11 CCS(=O)(=O)CCO SBB008148 [0,1,0,0,0,0|1,1,0]=3 25 B7R0.11 CNS(=O)(=O)CCN SBB014589 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.14 O=S1(=O)C=CCC1 SBB014528 [0,0,0,1,0,0|2,0,0]=3 27 B7R1.14 O=S1(=O)CC=CC1 SBB040827 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.14 O=S1(=O)CCCC1 SBB057389 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.26 NS(=O)(=O)C1CC1 SBB069786 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.26 O=S(=O)(Cl)C1CC1 SBB066113 [0,0,0,1,0,0|2,0,0]=3 31 B4R0.1 NCC(=O)O SBB071447 [2,0,0,0,0,0|2,0,0]=4 32 B4R0.1 O=C(O)CBr SBB053569 [2,0,0,0,0,0|2,0,0]=4 33 B4R0.2 OCCCBr SBB054750 [2,0,0,0,0,0|2,0,0]=4 34 B4R0.3 NS(N)(=O)=O SBB049643 [2,0,0,0,0,0|2,0,0]=4 35 B4R0.3 O=S(=O)(O)O SBB066031 [2,0,0,0,0,0|0,1,0]=3 36 B6R0.1 CCCC(=O)OC SBB061104 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.1 COC(=O)CCBr SBB070709 [1,1,0,0,0,0|2,0,0]=4 38 B6R0.1 COC(=O)CCN SBB071679 [1,1,0,0,0,0|2,0,0]=4 39 B6R0.2 CC(O)CC(=O)O SBB065815 [1,1,0,0,0,0|1,1,0]=4 40 B6R0.3 CC(CN)C(=O)O SBB061656 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.3 CCC(Br)C(=O)O SBB040791 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.3 NC(CO)C(=O)O SBB061655 [1,1,0,0,0,0|1,1,0]=4 44 B6R0.3 NCC(N)C(=O)O SBB060844 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.3 O=C(O)C(Br)CBr SBB068302 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.3 O=C(O)C(O)CCl SBB072606 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.4 C#CCCC(=O)O SBB009121 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.4 C=CCCC(=O)O SBB061214 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.4 CCCCC(=O)O SBB053585 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.4 CCOCC(=O)O SBB069120 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.4 CCSCC(=O)O SBB047288 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.4 NCCCC(=O)O SBB028179 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.4 O=C(O)CCCBr SBB065986 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.7 CN(C)S(C)(=O)=O SBB007962 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.12 CC(C)S(=O)(=O)CCN SBB076790 [0,2,0,0,0,0|2,0,0]=4 58 B8R0.30 CCOS(=O)(=O)OCC SBB060663 [0,2,0,0,0,0|2,0,0]=4 59 B6R1.2 O=C1CCSC1 SBB007947 [1,0,0,1,0,0|2,0,0]=4 60 B6R1.11 O=C(O)C1CC1 SBB008028 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.51 CC1=CS(=O)(=O)CC1 SBB041230 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.51 NC1CCS(=O)(=O)C1 SBB005601 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.51 NC1CCS(=O)(=O)C1 SBB073006 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.51 O=S1(=O)C=C(Cl)CC1 SBB041203 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.51 O=S1(=O)C=CC(Cl)C1 SBB041390 [0,1,0,1,0,0|2,0,0]=4 66 B8R1.51 O=S1(=O)C=CC(O)C1 SBB072189 [0,1,0,1,0,0|1,1,0]=4 67 B8R1.51 O=S1(=O)CCC(Br)C1 SBB019024 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.51 O=S1(=O)CCC(Cl)C1 SBB041213 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.51 O=S1(=O)CCC(O)C1 SBB001886 [0,1,0,1,0,0|1,1,0]=4 70 B8R1.72 O=S1(=O)CCCCO1 SBB059317 [0,1,0,1,0,0|1,0,0]=3 71 B8R1.72 O=S1(=O)CCNCC1 SBB010267 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.72 O=S1(=O)CCNCC1 SBB056140 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.19 O=S1(=O)CCC=C1Cl SBB019105 [0,1,0,1,0,0|2,0,0]=4