0 B5R0.1 C(Cl)CC(=O)O AC-16131 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CCCC(N)=[NH2+] AC-3370 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C[C@@H](O)CCO AC-5640 [0,0,0,0,0,0|1,1,2]=4 3 B5R0.1 O=C(O)CCS AC-4722 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 CC(N)CN AC-22047 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 CC(N)CO AC-24046 [1,0,0,0,0,0|1,1,1]=4 6 B4R0.1 CCC(=N)N AC-6582 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 CSC(=N)N AC-16449 [1,0,0,0,0,0|3,0,0]=4 8 B4R0.1 C[C@@H](N)CO AC-24153 [1,0,0,0,0,0|1,1,1]=4 9 B4R0.1 C[C@@H](O)CN AC-7043 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 C[C@@H](O)CO AC-14032 [1,0,0,0,0,0|1,1,1]=4 11 B4R0.1 C[C@H](N)CO AC-1565 [1,0,0,0,0,0|1,1,1]=4 12 B4R0.1 C[C@H](N)CO AC-24154 [1,0,0,0,0,0|1,1,1]=4 13 B4R0.1 C[C@H](O)CO AC-14033 [1,0,0,0,0,0|1,1,1]=4 14 B4R0.1 NCC(N)=O AC-7069 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.2 CCSCC AC-18108 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.2 CC[Zn]CC AC-1790 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.1 C(Cl)CC(=O)OC AC-16132 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.1 CC(CO)CCN AC-31753 [0,1,0,0,0,0|1,0,2]=4 19 B6R0.1 CCOC(=O)CN AC-24102 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.1 COC(=O)CCN AC-22369 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.2 CC(=O)\C=C(\C)[O-] AC-1042 [0,1,0,0,0,0|1,1,1]=4 22 B6R0.2 CC(=O)\C=C(\C)[O-] AC-24213 [0,1,0,0,0,0|1,1,1]=4 23 B6R0.2 CC(=O)\C=C(\C)[O-] AC-24214 [0,1,0,0,0,0|1,1,1]=4 24 B6R0.2 CC(=O)\C=C(\C)[O-] AC-24217 [0,1,0,0,0,0|1,1,1]=4 25 B6R0.2 CC(=O)\C=C(\C)[O-] AC-5526 [0,1,0,0,0,0|1,1,1]=4 26 B6R0.2 CC(=O)\C=C(\C)[O-] AC-5536 [0,1,0,0,0,0|1,1,1]=4 27 B6R0.2 CC(C)=CB(O)O AC-33882 [0,1,0,0,0,0|1,1,0]=3 28 B6R0.3 CC(C)C(=O)NN AC-1522 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.3 CC(C)[C@@H](N)CO AC-13953 [0,1,0,0,0,0|0,1,2]=4 30 B6R0.3 CC(C)[C@H](N)CO AC-057 [0,1,0,0,0,0|0,1,2]=4 31 B6R0.3 CC(C)[C@H](N)CO AC-13725 [0,1,0,0,0,0|0,1,2]=4 32 B6R0.3 CCC(=O)C(=O)O AC-37023 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.3 CCC(=O)C(=O)[O-] AC-37022 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.3 N[C@@H](CS)C(=O)O AC-12796 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.3 N[C@H](CS)C(=O)O AC-7470 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.3 N[C@H](CS)C(=O)O AC-7471 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.4 CC(=O)NCCN AC-7474 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.4 CC(C)NCCCl AC-29461 [0,1,0,0,0,0|1,0,2]=4 39 B6R0.4 CN(C)CCCBr AC-25139 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.4 CN(C)CCCBr AC-8952 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.4 CN(C)CCCCl AC-360 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.4 CN(C)CCCN AC-363 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.4 CN(C)CCCO AC-359 [0,1,0,0,0,0|1,1,1]=4 44 B6R0.4 O=C(O)\C=C\CBr AC-30328 [0,1,0,0,0,0|3,0,0]=4 45 B6R1.2 BrC1=CSC=C1 AC-4899 [0,0,0,1,0,0|1,0,2]=4 46 B6R1.2 BrC1=NSC=C1 AC-29635 [0,0,0,1,0,0|2,0,1]=4 47 B6R1.2 CC1=CC=CS1 AC-16543 [0,0,0,1,0,0|2,0,1]=4 48 B6R1.2 CC1=CNC=N1 AC-4534 [0,0,0,1,0,0|3,0,0]=4 49 B6R1.2 CC1=CNN=C1 AC-4833 [0,0,0,1,0,0|2,0,1]=4 50 B6R1.2 CC1=NNC=C1 AC-2646 [0,0,0,1,0,0|2,0,1]=4 51 B6R1.2 CC1CCCN1 AC-626 [0,0,0,1,0,0|2,0,1]=4 52 B6R1.2 C[C@@H]1CCCN1 AC-6782 [0,0,0,1,0,0|2,0,1]=4 53 B6R1.2 C[C@H]1CCCN1 AC-25577 [0,0,0,1,0,0|2,0,1]=4 54 B6R1.2 ClC1=CSC=C1 AC-4914 [0,0,0,1,0,0|1,0,2]=4 55 B6R1.2 NC1=CSC=C1 AC-1686 [0,0,0,1,0,0|1,0,2]=4 56 B6R1.2 NC1=NCCC1 AC-23074 [0,0,0,1,0,0|3,0,0]=4 57 B6R1.2 O=C1C=CSN1 AC-25099 [0,0,0,1,0,0|2,0,1]=4 58 B6R1.2 O=C1CCNC1 AC-22609 [0,0,0,1,0,0|2,0,1]=4 59 B6R1.3 NCCC1CC1 AC-31186 [0,0,0,1,0,0|1,0,2]=4 60 B6R1.3 NCCN1CC1 AC-9518 [0,0,0,1,0,0|2,0,1]=4 61 B6R1.5 CN1CC(N)C1 AC-9132 [0,0,0,1,0,0|2,0,1]=4 62 B3R0.1 CNOC AC-5594 [2,0,0,0,0,0|2,0,0]=4 63 B3R0.1 NCCS AC-301 [2,0,0,0,0,0|1,0,1]=4 64 B3R0.2 CC(=N)N AC-22530 [2,0,0,0,0,0|2,0,0]=4 65 B3R0.2 CC(=O)O AC-19080 [2,0,0,0,0,0|1,1,0]=4 66 B3R0.2 CC(=O)[O-] AC-18132 [2,0,0,0,0,0|1,1,0]=4 67 B3R0.2 CC(=O)[O-] AC-677 [2,0,0,0,0,0|1,1,0]=4 68 B5R0.3 C(=O)C(=O)OC AC-591 [1,1,0,0,0,0|1,1,0]=4 69 B5R0.3 COC(=O)CF AC-590 [1,1,0,0,0,0|2,0,0]=4 70 B5R0.3 COC(=O)CN AC-19215 [1,1,0,0,0,0|2,0,0]=4 71 B5R0.4 CC(C)(C)CN AC-26539 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.4 CC(C)(O)CN AC-25613 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.5 CC(=O)C(=O)[O-] AC-20029 [1,1,0,0,0,0|1,1,0]=4 74 B7R0.10 COC(=O)[C@@H](N)CS AC-8650 [0,2,0,0,0,0|1,0,1]=4 75 B7R0.10 CON(C)C(=O)CCl AC-28975 [0,2,0,0,0,0|2,0,0]=4 76 B7R0.12 CCN(CC)CCS AC-19101 [0,2,0,0,0,0|1,0,1]=4 77 B7R0.14 CC(C)(C)C(=O)CN AC-3546 [0,2,0,0,0,0|1,0,1]=4 78 B7R0.14 CC(C)(C)C(=O)CN AC-4641 [0,2,0,0,0,0|1,0,1]=4 79 B5R1.2 O=C1CSC1 AC-33700 [1,0,0,1,0,0|1,0,0]=3 80 B5R1.3 BrCC1CC1 AC-8355 [1,0,0,1,0,0|1,0,1]=4 81 B5R1.3 NCC1CC1 AC-13087 [1,0,0,1,0,0|1,0,1]=4 82 B5R1.1 C1=CCNC1 AC-22446 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.1 BrCC1=CSC=C1 AC-28055 [0,1,0,1,0,0|0,0,2]=4 84 B7R1.1 CCC1=CSC=C1 AC-4944 [0,1,0,1,0,0|0,0,2]=4 85 B7R1.1 COC1=CSC=C1 AC-4908 [0,1,0,1,0,0|0,0,2]=4 86 B7R1.1 O=CC1=CCCC1 AC-33806 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.1 OCC1=CSC=C1 AC-4927 [0,1,0,1,0,0|0,0,2]=4 88 B7R1.3 O=C1CCSCC1 AC-1822 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.4 BrC1=C(Br)CCC1 AC-18439 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.4 CC1=C(Br)SC=C1 AC-18074 [0,1,0,1,0,0|0,0,2]=4 91 B7R1.4 CC1=C(Cl)SC=C1 AC-4903 [0,1,0,1,0,0|0,0,2]=4 92 B7R1.4 CC1=CSC=C1Br AC-6950 [0,1,0,1,0,0|0,0,2]=4