0 B4R0.1 C#C[C@@H](C)N CS-0147129 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C[C@H](N)C#N CS-0224553 [0,0,0,0,0,0|1,0,2]=3 2 B4R0.1 C[SH](C)[Au]Cl CS-0035256 [0,0,0,0,0,0|4,0,0]=4 3 B4R0.1 N=C(N)CO CS-0043490 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 NC(=O)CCl CS-W011345 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 O=C(O)CO CS-W016683 [0,0,0,0,0,0|2,0,1]=3 6 B3R0.1 CCCN CS-0163446 [1,0,0,0,0,0|0,0,0]=1 7 B3R0.1 NCCI CS-0286771 [1,0,0,0,0,0|1,0,0]=2 8 B3R0.1 NCCN CS-0468678 [1,0,0,0,0,0|1,0,0]=2 9 B3R0.2 C[SiH](C)C CS-0612465 [1,0,0,0,0,0|1,1,0]=3 10 B5R0.1 CC(F)CCN CS-0104778 [0,1,0,0,0,0|1,0,0]=2 11 B5R0.1 CC(N)CC#N CS-W020282 [0,1,0,0,0,0|1,0,1]=3 12 B5R0.1 CCC[C@@H](C)O CS-0198768 [0,1,0,0,0,0|1,0,0]=2 13 B5R0.1 CN(C)CC=O CS-0114075 [0,1,0,0,0,0|3,0,0]=4 14 B5R0.1 CSCC(C)O CS-0265494 [0,1,0,0,0,0|1,0,0]=2 15 B5R0.1 C[S+](C)CCCl CS-0660802 [0,1,0,0,0,0|3,0,0]=4 16 B5R0.1 NCCC(F)F CS-0112580 [0,1,0,0,0,0|2,0,0]=3 17 B5R0.3 BrCC(Br)CBr CS-0040066 [0,1,0,0,0,0|2,0,0]=3 18 B5R0.3 CCC(F)CN CS-0104693 [0,1,0,0,0,0|1,0,0]=2 19 B5R0.3 CCC(I)CC CS-0236902 [0,1,0,0,0,0|2,0,0]=3 20 B5R0.3 CC[C@@H](C)CO CS-0616929 [0,1,0,0,0,0|1,0,0]=2 21 B5R0.3 N[C@@H](CO)CF CS-0567197 [0,1,0,0,0,0|2,0,0]=3 22 B5R0.3 N[C@H](CO)CF CS-0312195 [0,1,0,0,0,0|2,0,0]=3 23 B5R0.3 OCC(Cl)CCl CS-0128320 [0,1,0,0,0,0|2,0,0]=3 24 B5R0.3 OC[C@H](O)CF CS-0022569 [0,1,0,0,0,0|1,0,0]=2 25 B5R0.5 CC(C)C(N)=S CS-W011304 [0,1,0,0,0,0|1,0,1]=3 26 B5R0.5 CC(O)C(=O)O CS-0021601 [0,1,0,0,0,0|1,0,1]=3 27 B5R0.5 C[C@@H](F)C(=O)O CS-0435455 [0,1,0,0,0,0|2,0,1]=4 28 B5R0.5 C[C@@H](N)[C@@H](C)O CS-0133760 [0,1,0,0,0,0|0,0,0]=1 29 B5R0.5 C[C@H](F)C(=O)O CS-0436042 [0,1,0,0,0,0|2,0,1]=4 30 B5R1.2 O=C1CCO1 CS-0030919 [0,0,0,1,0,0|2,0,1]=4 31 B5R1.4 N[C@@H]1C[C@H]1F CS-0143345 [0,0,0,1,0,0|1,0,0]=2 32 B5R1.4 N[C@H]1C[C@@H]1F CS-0143348 [0,0,0,1,0,0|1,0,0]=2 33 B4R0.2 BrCOCBr CS-0188325 [1,1,0,0,0,0|2,0,0]=4 34 B4R0.2 NNCCO CS-W007663 [1,1,0,0,0,0|0,0,0]=2 35 B4R0.2 OCC#CI CS-0375727 [1,1,0,0,0,0|1,0,1]=4 36 B4R0.3 C[N+](C)(C)C CS-W015577 [1,1,0,0,0,0|2,0,0]=4 37 B4R0.3 C[S+](C)(C)=O CS-0158149 [1,1,0,0,0,0|1,0,1]=4 38 B6R0.1 CCC(O)CC#N CS-0258400 [0,2,0,0,0,0|0,0,1]=3 39 B6R0.1 CCC(O)CNC CS-0225521 [0,2,0,0,0,0|0,0,0]=2 40 B6R0.1 COC[C@@H](N)CO CS-0201549 [0,2,0,0,0,0|2,0,0]=4 41 B6R0.1 COC[C@H](C)CO CS-0145677 [0,2,0,0,0,0|1,0,0]=3 42 B6R0.1 COC[C@H](N)CO CS-0201548 [0,2,0,0,0,0|2,0,0]=4 43 B6R0.1 NC(CO)CCO CS-0091333 [0,2,0,0,0,0|2,0,0]=4 44 B6R0.1 OC(CBr)CCBr CS-0449071 [0,2,0,0,0,0|1,0,0]=3 45 B6R0.1 OCC[C@@H](Br)CO CS-1141050 [0,2,0,0,0,0|2,0,0]=4 46 B6R0.2 CC(C)C[N+](=O)[O-] CS-0252339 [0,2,0,0,0,0|1,0,1]=4 47 B6R0.2 CC(N)CN(C)C CS-B1299 [0,2,0,0,0,0|1,0,0]=3 48 B6R0.3 CCC(Br)C(=O)O CS-W016049 [0,2,0,0,0,0|2,0,0]=4 49 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [0,2,0,0,0,0|1,0,1]=4 50 B6R0.4 CC(C)CCCN CS-0252871 [0,2,0,0,0,0|1,0,0]=3 51 B6R0.4 CNCCC(C)O CS-0459922 [0,2,0,0,0,0|0,0,0]=2 52 B6R0.4 CSCCC(C)O CS-0242060 [0,2,0,0,0,0|1,0,0]=3 53 B6R0.5 CC(C)(C)CCN CS-0036014 [0,2,0,0,0,0|1,0,0]=3 54 B6R0.8 CC(C)(C#N)CN CS-0210728 [0,2,0,0,0,0|1,0,0]=3 55 B6R0.8 CC(F)(CO)CO CS-0254482 [0,2,0,0,0,0|1,0,0]=3 56 B6R0.9 CNC(CO)CO CS-0653184 [0,2,0,0,0,0|1,0,0]=3 57 B6R0.9 COC(CN)CO CS-0074707 [0,2,0,0,0,0|0,0,0]=2 58 B6R0.7 CC(C)(C)C(N)=O CS-W021470 [0,2,0,0,0,0|1,0,1]=4 59 B6R0.7 C[C@H](N)C(C)(C)C CS-0155179 [0,2,0,0,0,0|1,0,0]=3 60 B6R0.7 [2H][C@@](C)(N)C(=O)O CS-0201653 [0,2,0,0,0,0|1,0,1]=4 61 B6R1.2 CC1NCCS1 CS-0206098 [0,1,0,1,0,0|1,1,0]=4 62 B6R1.2 CN1CCOC1 CS-0247959 [0,1,0,1,0,0|2,0,0]=4 63 B6R1.2 NC1CSSC1 CS-0342808 [0,1,0,1,0,0|2,0,0]=4 64 B6R1.3 NNCC1CC1 CS-0053098 [0,1,0,1,0,0|1,0,0]=3 65 B6R1.3 OCC[C@H]1CO1 CS-0081472 [0,1,0,1,0,0|1,0,0]=3 66 B6R1.5 C[C@H]1C[C@H](N)C1 CS-0433455 [0,1,0,1,0,0|1,0,0]=3 67 B6R1.5 N[C@H]1C[C@H](N)C1 CS-0047838 [0,1,0,1,0,0|1,0,0]=3 68 B6R1.5 OC1CC(F)C1 CS-W000143 [0,1,0,1,0,0|1,0,0]=3 69 B6R1.5 O[C@H]1C[C@H](F)C1 CS-0047784 [0,1,0,1,0,0|1,0,0]=3 70 B6R1.10 CC1(N)COC1 CS-W008280 [0,1,0,1,0,0|2,0,0]=4 71 B6R1.11 C[C@H](O)C1CC1 CS-0181004 [0,1,0,1,0,0|1,0,0]=3 72 B6R1.4 CC1CCC1=O CS-0611562 [0,1,0,1,0,0|1,0,1]=4 73 B6R1.4 N[C@@H]1CC[C@@H]1O CS-0184482 [0,1,0,1,0,0|0,0,0]=2 74 B6R1.4 N[C@@H]1CNC1=O CS-0185261 [0,1,0,1,0,0|0,0,2]=4 75 B6R1.4 N[C@H]1CNC1=O CS-0053270 [0,1,0,1,0,0|0,0,2]=4 76 B6R1.6 FCC1CNC1 CS-0102314 [0,1,0,1,0,0|1,0,0]=3 77 B6R1.6 OC[C@@H]1CCO1 CS-0099311 [0,1,0,1,0,0|1,0,0]=3 78 B6R1.6 OC[C@H]1CCN1 CS-0053482 [0,1,0,1,0,0|2,0,0]=4 79 B6R1.7 CC1(CO)N=N1 CS-0101345 [0,1,0,1,0,0|1,0,1]=4 80 B6R1.7 CNC1(C)CC1 CS-0529677 [0,1,0,1,0,0|2,0,0]=4 81 B6R1.7 NCC1(F)CC1 CS-0184415 [0,1,0,1,0,0|1,0,0]=3