0 B8R1.7 O=C(O)C1=NC=NN1 T1371 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.7 O=C(O)c1ccco1 T5544 [0,0,0,0,0,0|2,1,0]=3 2 B8R1.7 O=C(O)c1ccoc1 T5277 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.7 O=[N+]([O-])C1=NC=CN1 T6402 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.11 COC(=O)c1ccco1 T8022 [0,1,0,0,0,0|1,1,0]=3 5 B9R1.41 NC(=O)C1=C(O)NC=N1 T19214 [0,1,0,0,0,0|3,0,0]=4 6 B7R0.4 C\C=C\C=C\C(=O)O T8019 [0,0,1,0,0,0|3,0,0]=4 7 B7R0.4 C\C=C\C=C\C(=O)[O-] T4807 [0,0,1,0,0,0|3,0,0]=4 8 B9R1.6 CC(=O)c1ccccc1 T7446 [0,0,0,0,0,1|2,0,0]=3 9 B9R1.6 CC(=O)c1cnccn1 T5596 [0,0,0,0,0,1|1,0,0]=2 10 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [0,0,0,0,0,1|3,0,0]=4 11 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [0,0,0,0,0,1|2,0,0]=3 12 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [0,0,0,0,0,1|3,0,0]=4 13 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [0,0,0,0,0,1|2,0,0]=3 14 B9R1.6 NC(=O)c1cnccn1 T1426 [0,0,0,0,0,1|2,0,0]=3 15 B9R1.6 O=C(O)c1ccccc1 T0833 [0,0,0,0,0,1|3,0,0]=4 16 B9R1.6 O=C(O)c1ccccn1 T4850 [0,0,0,0,0,1|2,0,0]=3 17 B9R1.6 O=C(O)c1cccnc1 T0879 [0,0,0,0,0,1|2,0,0]=3 18 B9R1.6 O=C(O)c1ccncc1 Fr13756 [0,0,0,0,0,1|3,0,0]=4 19 B9R1.6 O=C(O)c1cnccn1 T0569 [0,0,0,0,0,1|2,0,0]=3 20 B9R1.6 O=C([O-])c1ccccc1 T8124 [0,0,0,0,0,1|3,0,0]=4 21 B9R1.6 O=C([O-])c1ccccn1 T4575 [0,0,0,0,0,1|2,0,0]=3 22 B6R0.3 CC(=O)\C(C)=N\O T2176 [1,0,1,0,0,0|1,0,1]=4 23 B6R1.2 Nc1nccs1 T0495 [2,0,0,0,0,0|1,0,0]=3 24 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [1,1,0,0,0,0|1,1,0]=4 25 B8R1.11 CSc1nccn1C T8612 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [0,1,0,0,0,1|2,0,0]=4 27 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,1,0,0,0,1|2,0,0]=4 28 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [0,1,0,0,0,1|2,0,0]=4 29 B10R1.13 O=C(O)C1=NC=C(O)N=C1 T10171 [0,1,0,0,0,1|2,0,0]=4 30 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [0,1,0,0,0,1|2,0,0]=4 31 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,1,0,0,0,1|1,0,0]=3 32 B10R1.15 COC(=O)c1cccnc1 T5562 [0,1,0,0,0,1|1,0,0]=3 33 B10R1.15 NNC(=O)C1=CC=CC=N1 T1374 [0,1,0,0,0,1|2,0,0]=4 34 B10R1.15 NNC(=O)c1cccnc1 T0664 [0,1,0,0,0,1|2,0,0]=4 35 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [0,1,0,0,0,1|2,0,0]=4 36 B10R1.61 O=C(O)C1=NC=CC=C1S T12929 [0,1,0,0,0,1|2,0,0]=4 37 B10R1.61 O=C(O)c1ncccc1O T5986 [0,1,0,0,0,1|2,0,0]=4 38 B10R1.54 O=C(O)Cc1nc(Cl)cs1 T4402 [0,1,0,0,0,1|1,0,0]=3 39 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [1,0,0,0,0,1|2,0,0]=4 40 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,0,2|2,0,0]=4 41 B10R1.18 O=C(O)Cc1cccnc1 T1366 [0,0,0,0,0,2|2,0,0]=4 42 B10R1.66 CC(=O)OCc1ccco1 T8088 [0,0,0,0,0,2|1,1,0]=4