0 B4R0.1 C#C[C@@H](C)N CS-0147129 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C=CC(N)=O CS-0197970 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C[C@H](N)C#N CS-0224553 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 C[SH](C)[Au]Cl CS-0035256 [0,0,0,0,0,0|4,0,0]=4 4 B4R0.1 N=C(N)CO CS-0043490 [0,0,0,0,0,0|4,0,0]=4 5 B4R0.1 NC(=O)CCl CS-W011345 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 O=C(O)CO CS-W016683 [0,0,0,0,0,0|3,0,0]=3 7 B3R0.1 C(=O)O[Cs] CS-0166609 [1,0,0,0,0,0|1,0,0]=2 8 B3R0.1 CCCN CS-0163446 [1,0,0,0,0,0|2,0,1]=4 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|2,0,1]=4 11 B5R0.1 CCC[C@@H](C)O CS-0198768 [0,1,0,0,0,0|1,0,2]=4 12 B5R0.1 CSCC(C)O CS-0265494 [0,1,0,0,0,0|0,1,2]=4 13 B5R0.1 C[S+](C)CCCl CS-0660802 [0,1,0,0,0,0|3,0,0]=4 14 B5R0.3 CCC(F)CN CS-0104693 [0,1,0,0,0,0|2,0,1]=4 15 B5R0.3 CCC(I)CC CS-0236902 [0,1,0,0,0,0|2,0,1]=4 16 B5R0.3 CC[C@@H](C)CO CS-0616929 [0,1,0,0,0,0|1,0,2]=4 17 B5R0.5 CC(C)C(N)=S CS-W011304 [0,1,0,0,0,0|2,1,0]=4 18 B5R0.5 CC(O)C(=O)O CS-0021601 [0,1,0,0,0,0|2,0,0]=3 19 B5R0.5 C[C@@H](F)C(=O)O CS-0435455 [0,1,0,0,0,0|2,0,0]=3 20 B5R0.5 C[C@@H](N)[C@@H](C)O CS-0133760 [0,1,0,0,0,0|1,0,2]=4 21 B5R0.5 C[C@H](F)C(=O)O CS-0436042 [0,1,0,0,0,0|2,0,0]=3 22 B5R0.5 O=C(O)C(=O)O CS-0015711 [0,1,0,0,0,0|3,0,0]=4 23 B5R1.2 O=C1CCO1 CS-0030919 [0,0,0,1,0,0|0,0,0]=1 24 B4R0.2 BrCOCBr CS-0188325 [1,1,0,0,0,0|1,0,1]=4 25 B4R0.3 C[N+](C)(C)C CS-W015577 [1,1,0,0,0,0|2,0,0]=4 26 B4R0.3 C[S+](C)(C)=O CS-0158149 [1,1,0,0,0,0|1,0,0]=3 27 B4R0.3 O=S(=O)(O)O CS-0198003 [1,1,0,0,0,0|2,0,0]=4 28 B6R0.1 CCC(=O)CC#N CS-0084645 [0,2,0,0,0,0|1,0,0]=3 29 B6R0.1 CCC(=O)CSC CS-0434652 [0,2,0,0,0,0|0,1,0]=3 30 B6R0.1 COC(=O)CSC CS-W013574 [0,2,0,0,0,0|0,0,0]=2 31 B6R0.1 COC(=O)NC#N CS-0379068 [0,2,0,0,0,0|0,0,1]=3 32 B6R0.1 COC[C@@H](N)CO CS-0201549 [0,2,0,0,0,0|1,0,1]=4 33 B6R0.1 COC[C@H](C)CO CS-0145677 [0,2,0,0,0,0|0,0,2]=4 34 B6R0.1 COC[C@H](N)CO CS-0201548 [0,2,0,0,0,0|1,0,1]=4 35 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [0,2,0,0,0,0|1,0,0]=3 36 B6R0.2 CC(C)OC(=S)[S-] CS-0109042 [0,2,0,0,0,0|1,1,0]=4 37 B6R0.2 O=C(O)CC(F)F CS-0054587 [0,2,0,0,0,0|2,0,0]=4 38 B6R0.3 CC(=O)\C(C)=N\O CS-0015129 [0,2,0,0,0,0|1,0,0]=3 39 B6R0.3 CCC(Br)C(=O)O CS-W016049 [0,2,0,0,0,0|2,0,0]=4 40 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [0,2,0,0,0,0|2,0,0]=4 41 B6R0.4 C=CCOC(N)=O CS-0199028 [0,2,0,0,0,0|1,0,0]=3 42 B6R0.4 O=C(O)CCCF CS-0491783 [0,2,0,0,0,0|2,0,0]=4 43 B6R0.4 O=C(O)\C=C\CCl CS-0368704 [0,2,0,0,0,0|2,0,0]=4 44 B6R0.5 CS(=N)(=O)CCO CS-0434884 [0,2,0,0,0,0|2,0,0]=4 45 B6R0.8 COP(=O)(O)OC CS-0164327 [0,2,0,0,0,0|1,0,0]=3 46 B6R0.9 COC(CN)CO CS-0074707 [0,2,0,0,0,0|0,0,2]=4 47 B6R0.7 CC(C)(C)C(N)=O CS-W021470 [0,2,0,0,0,0|2,0,0]=4 48 B6R0.7 [2H][C@@](C)(N)C(=O)O CS-0201653 [0,2,0,0,0,0|2,0,0]=4 49 B6R1.2 CC1=CN=CO1 CS-0139221 [0,1,0,1,0,0|1,0,1]=4 50 B6R1.2 CN1CCOC1 CS-0247959 [0,1,0,1,0,0|2,0,0]=4 51 B6R1.2 O=C1CCCS1 CS-0120136 [0,1,0,1,0,0|0,1,0]=3 52 B6R1.10 CC1(N)COC1 CS-W008280 [0,1,0,1,0,0|1,0,1]=4 53 B6R1.10 N=S1(=O)CCC1 CS-0134180 [0,1,0,1,0,0|2,0,0]=4 54 B6R1.4 CC1CCC1=O CS-0611562 [0,1,0,1,0,0|1,0,0]=3 55 B6R1.4 N[C@@H]1CNC1=O CS-0185261 [0,1,0,1,0,0|1,0,0]=3 56 B6R1.4 N[C@H]1CNC1=O CS-0053270 [0,1,0,1,0,0|1,0,0]=3 57 B6R1.6 OC[C@@H]1CCO1 CS-0099311 [0,1,0,1,0,0|0,0,2]=4