0 B12R1.43 O=[N+]([O-])[C@@H](F)CC1=CC=CC=C1 SPC-d111 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.43 O=[N+]([O-])\C(F)=C\C1=CC=CC=C1 SPC-d107 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.40 COC(=O)CC1=NC=CC=C1 SPC-j372 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.91 CC(=O)CCC1=CC=CC=C1 SPC-k266 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.91 O=C(O)CCC1=CN=NC=C1 SPC-t412 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.91 O=C(O)CCC1=NN=CC=C1 SPC-v656 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 SPC-u834 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.133 O=C(O)C(=O)NC1=NC=C(Cl)C=C1 SPC-g335 [0,1,0,0,0,0|2,0,0]=3 8 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl SPC-p357 [0,0,0,1,0,0|3,0,0]=4 9 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl SPC-u463 [0,0,0,1,0,0|3,0,0]=4 10 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 SPC-s881 [0,0,0,1,0,0|1,0,1]=3 11 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 SPC-k405 [0,0,0,1,0,0|1,0,1]=3 12 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 SPC-s009 [0,0,0,1,0,0|1,0,1]=3 13 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-n632 [0,0,0,1,0,0|1,0,1]=3 14 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-s016 [0,0,0,1,0,0|1,0,1]=3 15 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 SPC-s013 [0,0,0,1,0,0|1,0,1]=3 16 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 SPC-s635 [0,0,0,1,0,0|1,1,1]=4 17 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 SPC-g948 [0,0,0,1,0,0|2,0,1]=4 18 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 SPC-s040 [0,0,0,1,0,0|1,0,1]=3 19 B13R2.435 O=C(O)[C@@H]1CC2=C(N=CC=C2)N1 SPC-u264 [0,0,0,1,0,0|2,0,1]=4 20 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 SPC-k442 [0,0,0,1,0,0|1,0,1]=3 21 B10R1.18 O=C(O)CC1=CN=NC=C1 SPC-j090 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 SPC-g230 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 SPC-u409 [1,1,0,0,0,0|2,0,0]=4 24 B14R1.7626 C[C@](N)(CC1=CC=C(O)C=C1)C(=O)O SPC-r015 [0,2,0,0,0,0|1,0,1]=4 25 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O SPC-s172 [1,0,0,1,0,0|2,0,0]=4 26 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 SPC-i073 [1,0,0,1,0,0|1,0,1]=4 27 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SPC-s949 [1,0,0,1,0,0|1,0,1]=4 28 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 SPC-k657 [0,0,0,1,0,1|1,0,1]=4 29 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 SPC-k083 [0,0,0,1,0,1|1,0,1]=4 30 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 SPC-p759 [0,1,0,1,0,0|1,0,1]=4 31 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 SPC-n260 [0,1,0,1,0,0|1,0,1]=4 32 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 SPC-t049 [0,1,0,1,0,0|1,0,1]=4 33 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)S1 SPC-u882 [0,1,0,1,0,0|1,1,0]=4 34 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(F)=C2 SPC-u266 [0,1,0,1,0,0|1,0,1]=4 35 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 SPC-n282 [0,1,0,1,0,0|0,1,1]=4 36 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 SPC-t535 [0,1,0,1,0,0|1,0,1]=4 37 B14R2.5443 O=C(O)C1CC1C2=C(Cl)C=CC=C2 SPC-m370 [0,1,0,1,0,0|1,0,1]=4 38 B10R1.66 O=C(O)\C=C\C1=CC=CS1 SPC-k420 [1,0,0,0,1,0|1,0,1]=4