0 B12R1.252 FC(F)CNCC1=CC=CC=C1 B039737 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.252 O=C(O)CCCC1=CC=CC=N1 B050627 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.252 O=C(O)CCCC1=CC=NC=C1 B050634 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 B046267 [0,1,0,0,0,0|3,0,0]=4 4 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 B049227 [0,1,0,0,0,0|1,0,1]=3 5 B13R1.351 NC(CCC1=CC=CC=N1)C(=O)O B050715 [0,1,0,0,0,0|1,0,0]=2 6 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 B022610 [0,0,0,1,0,0|0,0,0]=1 7 B11R1.91 O=C(O)CCC1=NC=CC=C1 B039507 [0,0,0,0,1,0|1,0,0]=2 8 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [0,0,0,0,1,0|1,0,0]=2 9 B11R1.91 O=C(O)CSC1=NC=CC=C1 B003349 [0,0,0,0,1,0|2,0,0]=3 10 B11R1.172 O=C(O)CCCN1C=NC=N1 B052605 [0,0,0,0,1,0|3,0,0]=4 11 B13R1.337 FC(F)CNCCC1=CC=CC=C1 B039724 [0,0,0,0,0,1|2,0,1]=4 12 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [2,0,0,0,0,0|2,0,0]=4 13 B10R1.17 NCCCC1=CC=CC=N1 B048973 [2,0,0,0,0,0|2,0,0]=4 14 B12R1.8 NCCCNCC1=CC=CC=C1 B035593 [1,1,0,0,0,0|1,0,1]=4 15 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 B003322 [0,1,0,0,1,0|1,0,0]=3 16 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 B039360 [0,1,0,0,1,0|0,0,0]=2 17 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [0,1,0,0,1,0|0,0,0]=2 18 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 B050535 [0,1,0,0,1,0|1,0,0]=3 19 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 B048718 [0,1,0,0,1,0|1,0,1]=4 20 B12R1.125 CC1=CC=CC=C1NCC(=O)O B003329 [0,1,0,0,1,0|1,0,0]=3 21 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 B003340 [0,1,0,0,1,0|1,0,0]=3 22 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 B049111 [0,1,0,0,1,0|0,0,0]=2 23 B12R1.105 CC1=CN(CCCC(=O)O)N=C1 B024509 [0,1,0,0,1,0|2,0,0]=4 24 B12R1.105 CC1=NN(CCCC(=O)O)C=C1 B024525 [0,1,0,0,1,0|2,0,0]=4 25 B12R1.105 O=C(O)CCCN1C=C(Br)C=N1 B024515 [0,1,0,0,1,0|2,0,0]=4 26 B12R1.105 O=C(O)CCCN1C=C(Cl)C=N1 B024510 [0,1,0,0,1,0|2,0,0]=4 27 B12R1.105 O=C(O)CNCC1=CC=C(F)S1 B052768 [0,1,0,0,1,0|2,0,0]=4 28 B14R1.148 CC1=CC=CC(OCCCC(=O)O)=C1 B030307 [0,1,0,0,0,1|0,0,0]=2 29 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 B048565 [0,1,0,0,0,1|1,0,1]=4 30 B14R1.161 CC1=C(OCC(O)C(=O)O)C=CC=C1 B050053 [0,2,0,0,0,0|1,0,0]=3 31 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 B028862 [0,2,0,0,0,0|2,0,0]=4 32 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 B019605 [0,0,0,1,0,1|0,0,2]=4 33 B14R2.2 O=C(O)CN1N=NC2=C1C=CC=C2 B003330 [0,0,0,1,0,1|2,0,0]=4 34 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 B048574 [0,0,0,1,0,1|0,0,0]=2 35 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 B017726 [0,1,0,1,0,0|1,0,0]=3 36 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 B022968 [0,1,0,1,0,0|0,0,0]=2 37 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 B006809 [0,1,0,1,0,0|0,0,0]=2 38 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 B000956 [0,1,0,1,0,0|1,0,0]=3 39 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [0,0,0,0,2,0|1,1,0]=4 40 B10R1.66 O=C(O)CCC1=CC=NO1 B049851 [0,0,0,0,2,0|2,0,0]=4 41 B10R1.66 O=C(O)CCN1C=CC=N1 B040707 [0,0,0,0,2,0|2,0,0]=4