0 B6R0.1 CCOC(=O)CN CS-W020007 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CC(=O)CCO CS-0044370 [1,0,0,0,0,0|1,0,1]=3 3 B5R0.1 CC(=O)\C=N\O CS-0047592 [1,0,0,0,0,0|2,0,0]=3 4 B5R0.1 CCOC(C)=N CS-W008601 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.2 ClC\C=C/CCl CS-0005668 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.2 NC\C=C/CCl CS-M0797 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.5 CCOC(=O)C(N)=O CS-0008213 [0,1,0,0,0,0|2,0,0]=3 8 B7R1.1 COC1=NCCC1 CS-W022401 [0,0,0,1,0,0|3,0,0]=4 9 B7R1.1 O=CC1=CC=CS1 CS-W013657 [0,0,0,1,0,0|1,0,2]=4 10 B7R1.2 CC1=CC=C(C)N1 CS-W011343 [0,0,0,1,0,0|2,0,1]=4 11 B7R1.2 CC1=CSC(C)=N1 CS-W013648 [0,0,0,1,0,0|1,1,1]=4 12 B7R1.2 CN1C=C(N)C=N1 CS-D1698 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.3 CC1=CN=CN=C1 CS-D0065 [0,0,0,1,0,0|2,0,1]=4 14 B7R1.4 CC1=CNN=C1Br CS-0035699 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.4 CC1=CNN=C1C CS-0028725 [0,0,0,1,0,0|3,0,0]=4 16 B7R1.4 NN1CCCC1=O CS-D0019 [0,0,0,1,0,0|2,0,1]=4 17 B4R0.1 CC(=O)NN CS-D1403 [2,0,0,0,0,0|2,0,0]=4 18 B4R0.1 CCC(=N)O CS-W016688 [2,0,0,0,0,0|1,0,1]=4 19 B4R0.1 CC[C@H](C)N CS-0084847 [2,0,0,0,0,0|1,0,1]=4 20 B4R0.1 NCC(N)=O CS-W019695 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035190 [1,1,0,0,0,0|0,0,1]=3 22 B6R0.2 CC(=O)\C=C(\C)[O-] CS-W020773 [1,1,0,0,0,0|0,0,1]=3 23 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [1,1,0,0,0,0|1,0,1]=4 24 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [1,1,0,0,0,0|1,0,1]=4 25 B6R0.3 CC(=O)\C(C)=N\O CS-0015129 [1,1,0,0,0,0|2,0,0]=4 26 B6R0.4 CC(=O)CCCCl CS-W013569 [1,1,0,0,0,0|0,0,1]=3 27 B6R0.4 CC(=O)OCCBr CS-W007598 [1,1,0,0,0,0|1,0,0]=3 28 B6R0.4 CCCOC(N)=O CS-W019060 [1,1,0,0,0,0|1,0,1]=4 29 B6R0.4 COCCC(=O)O CS-W009112 [1,1,0,0,0,0|1,0,1]=4 30 B6R0.9 CCN(C=O)CC CS-W009551 [1,1,0,0,0,0|1,0,0]=3 31 B6R1.2 CC1=CNC=C1 CS-W016682 [1,0,0,1,0,0|1,0,1]=4 32 B6R1.2 NC1=NCCC1 CS-B0123 [1,0,0,1,0,0|2,0,0]=4 33 B6R1.2 O=C1CCSC1 CS-W011310 [1,0,0,1,0,0|1,0,1]=4 34 B6R1.2 O=C1NCCN1 CS-0075560 [1,0,0,1,0,0|2,0,0]=4 35 B6R1.2 O=C1OCCO1 CS-0017611 [1,0,0,1,0,0|2,0,0]=4 36 B6R1.11 O=C(O)C1CC1 CS-W018339 [1,0,0,1,0,0|1,0,1]=4 37 B8R1.1 CC1=NC(C=O)=CO1 CS-W008275 [0,1,0,1,0,0|1,0,1]=4 38 B8R1.1 CC1=NC=C(C=O)S1 CS-W019857 [0,1,0,1,0,0|1,0,1]=4 39 B8R1.1 CN1C=C(CN)C=N1 CS-W020720 [0,1,0,1,0,0|2,0,0]=4 40 B8R1.1 CN1C=C(CO)C=N1 CS-W004779 [0,1,0,1,0,0|2,0,0]=4 41 B8R1.1 CN1C=CC(C=O)=N1 CS-W004820 [0,1,0,1,0,0|1,0,1]=4 42 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,1,0,1,0,0|1,0,1]=4 43 B8R1.4 O=C1CCCC(=O)N1 CS-W023103 [0,1,0,1,0,0|1,0,1]=4 44 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [0,1,0,1,0,0|1,0,1]=4 45 B8R1.2 O=CN1CCOCC1 CS-W016603 [0,1,0,1,0,0|1,0,1]=4 46 B8R1.5 CC1CCCCC1=O CS-W011265 [0,1,0,1,0,0|0,0,2]=4 47 B8R1.50 O=C1CCC(=O)N1Br CS-W008781 [0,1,0,1,0,0|2,0,0]=4 48 B8R1.50 O=C1CCC(=O)N1O CS-W008598 [0,1,0,1,0,0|2,0,0]=4 49 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [0,1,0,1,0,0|0,0,2]=4 50 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [0,1,0,1,0,0|1,0,1]=4 51 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [0,1,0,1,0,0|1,0,1]=4 52 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [0,1,0,1,0,0|0,0,2]=4 53 B8R1.11 CCN1CCCC1=O CS-W013650 [0,1,0,1,0,0|1,0,1]=4 54 B8R1.11 CN1C=NC=C1C=O CS-W011279 [0,1,0,1,0,0|1,0,1]=4 55 B8R1.11 CN1N=CC=C1C=O CS-W007487 [0,1,0,1,0,0|1,0,1]=4