0 B5R0.3 C=CC(N)CO CS-0091316 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=C[C@@H](N)CO CS-0089925 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C=C[C@@H](N)CO CS-0091315 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 C=C[C@H](N)CO CS-0089895 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 CCC(=O)CO CS-W005327 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 CNC(=S)NC CS-0071975 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.3 COC(=S)NN CS-B1194 [0,0,0,0,0,0|2,1,0]=3 7 B5R0.3 CO[C@@H](C)CO CS-0096324 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 CSC(=N)NN CS-0105940 [0,0,0,0,0,0|3,1,0]=4 9 B4R0.1 C=C(Br)CN CS-0106981 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.1 CN(N)C=O CS-0084846 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.2 COCCBr CS-0015336 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.1 CCNC(=O)CCl CS-0037573 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.3 CN(C)C(=O)CN CS-B0440 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.3 CN(C)C(=O)CO CS-0077250 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.3 CNC(=O)C(=O)O CS-0113142 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [0,1,0,0,0,0|0,0,2]=3 17 B6R1.2 CC1=CC=NO1 CS-0085310 [0,0,0,1,0,0|2,0,0]=3 18 B6R1.2 FC1=NNC=C1 CS-0035415 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.2 IC1=NC=CO1 CS-0051894 [0,0,0,1,0,0|2,0,1]=4 20 B6R1.2 NC1=CC=CN1 CS-0112997 [0,0,0,1,0,0|2,0,1]=4 21 B6R1.2 NC1=CC=NS1 CS-0062263 [0,0,0,1,0,0|2,1,0]=4 22 B6R1.2 NC1=CSC=C1 CS-0096335 [0,0,0,1,0,0|3,0,0]=4 23 B6R1.2 O=C1C=COC1 CS-0091989 [0,0,0,1,0,0|2,0,0]=3 24 B6R1.2 O=C1CCON1 CS-W019350 [0,0,0,1,0,0|3,0,0]=4 25 B6R1.2 O=C1NCCO1 CS-W007548 [0,0,0,1,0,0|1,0,1]=3 26 B6R1.4 CC1CNC1=O CS-0046512 [0,0,0,1,0,0|1,0,2]=4 27 B6R1.4 N[C@H]1CNC1=O CS-0053270 [0,0,0,1,0,0|2,0,1]=4 28 B6R1.4 O=C1NCC1O CS-0112791 [0,0,0,1,0,0|2,0,1]=4 29 B5R0.1 CC(=O)NCO CS-0061075 [1,1,0,0,0,0|1,0,1]=4 30 B5R0.1 CC(=O)\C=N\O CS-0039829 [1,1,0,0,0,0|1,0,0]=3 31 B5R0.1 C\C=C\B(O)O CS-0086306 [1,1,0,0,0,0|1,0,1]=4 32 B5R0.1 O=C(O)CCF CS-0038385 [1,1,0,0,0,0|0,0,2]=4 33 B5R0.4 C=CS(N)(=O)=O CS-0091212 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.5 CC(N)C(N)=O CS-0036447 [1,1,0,0,0,0|2,0,0]=4 35 B5R0.5 O=C(O)C(=O)O CS-0089651 [1,1,0,0,0,0|1,0,0]=3 36 B5R0.2 CCO\C=C\Br CS-0037281 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.3 CCCOC(=O)OC CS-0111112 [0,2,0,0,0,0|0,0,2]=4 38 B7R0.3 COC(=O)CCC#N CS-W009546 [0,2,0,0,0,0|0,0,2]=4 39 B7R0.3 COC(=O)\C=C\CN CS-0106649 [0,2,0,0,0,0|0,0,0]=2 40 B7R0.5 CCOC(=O)N(C)C CS-0112757 [0,2,0,0,0,0|1,0,1]=4 41 B7R0.5 CCOC(=O)[C@H](C)O CS-0096322 [0,2,0,0,0,0|0,0,2]=4 42 B7R0.7 CCOC(=O)CCN CS-W019943 [0,2,0,0,0,0|0,0,2]=4 43 B7R0.10 C=CC(O)C(=O)OC CS-0099770 [0,2,0,0,0,0|0,0,0]=2 44 B7R0.10 CC[C@@H](N)C(=O)OC CS-0100678 [0,2,0,0,0,0|0,0,2]=4 45 B7R0.10 COC(=O)[C@H](N)CS CS-D0363 [0,2,0,0,0,0|0,0,2]=4 46 B7R0.14 COC(=O)C(C)(C)F CS-0017916 [0,2,0,0,0,0|0,0,2]=4 47 B5R1.1 C1=CCNC1 CS-W016634 [1,0,0,1,0,0|1,0,1]=4 48 B7R1.1 CCC1=NC=CN1 CS-0111073 [0,1,0,1,0,0|2,0,0]=4 49 B7R1.1 CCC1=NNC=C1 CS-0111769 [0,1,0,1,0,0|2,0,0]=4 50 B7R1.1 CNC1=NC=CO1 CS-0035780 [0,1,0,1,0,0|1,0,1]=4 51 B7R1.1 CNC1=NOC=C1 CS-0037975 [0,1,0,1,0,0|1,0,1]=4 52 B7R1.1 COC1=CNN=C1 CS-0050823 [0,1,0,1,0,0|2,0,0]=4 53 B7R1.1 CSC1=CN=CN1 CS-0062039 [0,1,0,1,0,0|1,1,0]=4 54 B7R1.1 NCC1=CC=NO1 CS-0085315 [0,1,0,1,0,0|2,0,0]=4 55 B7R1.2 BrC1=CC=C(Br)O1 CS-B1185 [0,1,0,1,0,0|1,0,1]=4 56 B7R1.2 CC1=CC(=O)CO1 CS-0092875 [0,1,0,1,0,0|1,0,0]=3 57 B7R1.2 CC1=CC(Br)=NO1 CS-W018569 [0,1,0,1,0,0|2,0,0]=4 58 B7R1.2 CC1=CN=C(N)O1 CS-0036211 [0,1,0,1,0,0|2,0,0]=4 59 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [0,1,0,1,0,0|0,0,2]=4 60 B7R1.2 NC1=CC(=O)NO1 CS-0067869 [0,1,0,1,0,0|2,0,0]=4 61 B7R1.2 NC1=CC(Br)=NO1 CS-0030058 [0,1,0,1,0,0|2,0,0]=4 62 B7R1.2 O=C1C=C(Br)CO1 CS-0037435 [0,1,0,1,0,0|0,0,0]=2 63 B7R1.2 O=C1C=C[C@H](O)C1 CS-0113091 [0,1,0,1,0,0|1,0,0]=3 64 B7R1.2 O=C1CC(=O)ON1 CS-0068238 [0,1,0,1,0,0|1,0,1]=4 65 B7R1.2 O=C1CNC(=O)C1 CS-0048723 [0,1,0,1,0,0|1,0,1]=4 66 B7R1.2 O=C1NC(=S)CS1 CS-0088269 [0,1,0,1,0,0|1,1,0]=4 67 B7R1.3 O=C1C=CCCO1 CS-0037765 [0,1,0,1,0,0|0,0,0]=2 68 B7R1.3 O=C1C=CCOC1 CS-0051593 [0,1,0,1,0,0|0,0,0]=2 69 B7R1.3 O=C1C=COC=C1 CS-0108723 [0,1,0,1,0,0|1,0,1]=4 70 B7R1.3 O=C1NCCCO1 CS-0088044 [0,1,0,1,0,0|0,0,2]=4 71 B7R1.4 CC1=C(I)C=NO1 CS-0085327 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.4 CC1=CSC=C1N CS-0050797 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.4 CC1CONC1=O CS-0068235 [0,1,0,1,0,0|0,0,2]=4 74 B7R1.4 NC1CCOC1=O CS-0051531 [0,1,0,1,0,0|0,0,2]=4 75 B7R1.4 O=C1OCC=C1Br CS-0101295 [0,1,0,1,0,0|0,0,0]=2 76 B7R1.22 O=CC(=O)C1CC1 CS-0089046 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.25 C=CC1(O)COC1 CS-B1109 [0,1,0,1,0,0|0,0,2]=4