0 B5R0.3 BrCC(Br)CBr CS-0040066 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.3 CCC(F)CN CS-0104693 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 CCC(I)CC CS-0236902 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 CC[C@@H](C)CO CS-0616929 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.3 N[C@@H](CO)CF CS-0567197 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 N[C@H](CO)CF CS-0312195 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.3 OCC(Cl)CCl CS-0128320 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.3 OC[C@H](O)CF CS-0022569 [0,0,0,0,0,0|1,0,0]=1 8 B4R0.1 C#C[C@@H](C)N CS-0147129 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 C[C@H](N)C#N CS-0224553 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 N=C(N)CO CS-0043490 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 O=C(O)CO CS-W016683 [1,0,0,0,0,0|0,0,2]=3 12 B4R0.2 BrCOCBr CS-0188325 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.2 NNCCO CS-W007663 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.2 OCC#CI CS-0375727 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.1 CCC(O)CC#N CS-0258400 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.1 CCC(O)CNC CS-0225521 [0,1,0,0,0,0|2,0,0]=3 17 B6R0.1 COC[C@@H](N)CO CS-0201549 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.1 COC[C@H](C)CO CS-0145677 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.1 COC[C@H](N)CO CS-0201548 [0,1,0,0,0,0|1,0,0]=2 20 B6R0.1 NC(CO)CCO CS-0091333 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.1 OC(CBr)CCBr CS-0449071 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.1 OCC[C@@H](Br)CO CS-1141050 [0,1,0,0,0,0|1,0,0]=2 23 B6R0.3 CCC(Br)C(=O)O CS-W016049 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [0,1,0,0,0,0|1,1,1]=4 25 B6R0.8 CC(F)(CO)CO CS-0254482 [0,1,0,0,0,0|1,0,0]=2 26 B6R0.9 CNC(CO)CO CS-0653184 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.9 COC(CN)CO CS-0074707 [0,1,0,0,0,0|1,0,0]=2 28 B6R1.2 CN1CCOC1 CS-0247959 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.2 NC1CSSC1 CS-0342808 [0,0,0,1,0,0|1,2,0]=4 30 B6R1.4 N[C@@H]1CC[C@@H]1O CS-0184482 [0,0,0,1,0,0|2,0,0]=3 31 B6R1.6 FCC1CNC1 CS-0102314 [0,0,0,1,0,0|3,0,0]=4 32 B6R1.6 OC[C@@H]1CCO1 CS-0099311 [0,0,0,1,0,0|1,0,0]=2 33 B6R1.6 OC[C@H]1CCN1 CS-0053482 [0,0,0,1,0,0|2,0,0]=3 34 B6R1.7 CC1(CO)N=N1 CS-0101345 [0,0,0,1,0,0|3,0,0]=4 35 B6R1.7 NCC1(F)CC1 CS-0184415 [0,0,0,1,0,0|3,0,0]=4 36 B3R0.1 CCCN CS-0163446 [2,0,0,0,0,0|1,0,0]=3 37 B3R0.1 NCCI CS-0286771 [2,0,0,0,0,0|2,0,0]=4 38 B3R0.1 NCCN CS-0468678 [2,0,0,0,0,0|2,0,0]=4 39 B3R0.2 C[SiH](C)C CS-0612465 [2,0,0,0,0,0|1,1,0]=4 40 B5R0.1 CC(F)CCN CS-0104778 [1,1,0,0,0,0|2,0,0]=4 41 B5R0.1 CC(N)CC#N CS-W020282 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.1 CCC[C@@H](C)O CS-0198768 [1,1,0,0,0,0|1,0,0]=3 43 B5R0.1 CSCC(C)O CS-0265494 [1,1,0,0,0,0|0,1,0]=3 44 B5R0.5 CC(O)C(=O)O CS-0021601 [1,1,0,0,0,0|0,0,1]=3 45 B5R0.5 C[C@@H](F)C(=O)O CS-0435455 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.5 C[C@@H](N)[C@@H](C)O CS-0133760 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.5 C[C@H](F)C(=O)O CS-0436042 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.2 C=CCCCO CS-W011355 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.2 N#CCCCN CS-0343605 [1,1,0,0,0,0|2,0,0]=4 50 B5R0.2 N#CCCCO CS-W001264 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.2 [N-]=[N+]=NCCO CS-0148425 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.2 C[C@@H](CO)CN(C)C CS-0897817 [0,2,0,0,0,0|2,0,0]=4 53 B7R0.2 NC[C@@H](O)CC(=O)O CS-W023137 [0,2,0,0,0,0|1,0,0]=3 54 B7R0.3 C=CCC[C@@H](O)CCl CS-0374305 [0,2,0,0,0,0|2,0,0]=4 55 B7R0.3 CCCN[C@H](C)CO CS-0626374 [0,2,0,0,0,0|2,0,0]=4 56 B7R0.5 C#CCC(O)C(=O)O CS-0237172 [0,2,0,0,0,0|1,0,1]=4 57 B7R0.7 CCC[C@@H](N)CCO CS-0162168 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.10 CCC(O)C(=O)OC CS-0469790 [0,2,0,0,0,0|1,0,1]=4 59 B7R0.10 CCC(O)C(=O)O[Na] CS-W013506 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.10 O[C@@H](CS)[C@@H](O)CS CS-0092112 [0,2,0,0,0,0|0,1,0]=3 61 B7R0.11 C#CC(C)(O)COC CS-0245230 [0,2,0,0,0,0|1,0,1]=4 62 B7R0.11 CNCC(F)(F)CO CS-0723517 [0,2,0,0,0,0|2,0,0]=4 63 B7R0.14 NCC(O)C(F)(F)F CS-0072453 [0,2,0,0,0,0|2,0,0]=4 64 B7R0.15 CC(C)C(CO)CO CS-0143428 [0,2,0,0,0,0|1,0,0]=3 65 B7R0.15 CCC(CC)C(=O)O CS-W004154 [0,2,0,0,0,0|2,0,0]=4 66 B7R0.15 CC[C@@H](CN)C(=O)O CS-0781938 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.15 O=C(O)C(CS)CS CS-M3522 [0,2,0,0,0,0|0,2,0]=4 68 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0031488 [0,2,0,0,0,0|1,0,1]=4 69 B5R1.4 N[C@@H]1C[C@H]1F CS-0143345 [1,0,0,1,0,0|2,0,0]=4 70 B5R1.4 N[C@H]1C[C@@H]1F CS-0143348 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.1 BrC[C@@H]1CCCO1 CS-0310762 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.1 ClCC1CCCO1 CS-W011203 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.1 NOC1CCCC1 CS-0634533 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.1 OCC1CCCS1 CS-0265065 [0,1,0,1,0,0|1,1,0]=4 75 B7R1.1 OC[C@@H]1CCOC1 CS-0053251 [0,1,0,1,0,0|1,0,0]=3 76 B7R1.2 C[C@@H]1C[C@@H](O)CN1 CS-0038437 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.2 C[C@H]1C[C@H](O)CN1 CS-0053220 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.4 C[C@H]1CNC[C@H]1O CS-0036375 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.4 C[C@H]1OCC[C@H]1N CS-0038438 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.4 N[C@@H]1COC[C@@H]1O CS-0139374 [0,1,0,1,0,0|1,0,0]=3 81 B7R1.4 N[C@H]1COC[C@@H]1F CS-0183120 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.4 N[C@H]1COC[C@H]1O CS-0053228 [0,1,0,1,0,0|1,0,0]=3 83 B7R1.4 O[C@H]1CCC[C@H]1O CS-0132323 [0,1,0,1,0,0|1,0,0]=3 84 B7R1.21 NC1(CCO)CC1 CS-0183342 [0,1,0,1,0,0|2,0,0]=4 85 B7R1.25 C[C@@]1(CO)CCO1 CS-0502961 [0,1,0,1,0,0|1,0,0]=3 86 B7R1.25 C[C@]1(CO)CCO1 CS-0530295 [0,1,0,1,0,0|1,0,0]=3 87 B7R1.18 C[C@@H](O)C1COC1 CS-0309420 [0,1,0,1,0,0|1,0,0]=3 88 B7R1.14 C[C@]1(O)CNOC1 CS-0379936 [0,1,0,1,0,0|1,0,0]=3