0 B5R0.3 C=C(CC)CN 4074283 [1,0,0,0,0,0|2,0,1]=4 1 B5R0.3 C=CC(O)CN 4055871 [1,0,0,0,0,0|1,0,2]=4 2 B5R0.3 CCC(C)NC 4039876 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.3 CCC(C)NC 4089297 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.3 CNC(=O)CN 4089909 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.3 CCC(=O)NCCN 4028425 [0,1,0,0,0,0|1,0,1]=3 6 B7R0.3 CNC(=O)CCCN 4089383 [0,1,0,0,0,0|1,0,2]=4 7 B7R0.3 CNCCC(=O)NC 4088709 [0,1,0,0,0,0|1,0,2]=4 8 B7R0.10 CCC(N)C(=O)NC 4090715 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.10 CNC(=O)[C@@H](C)NC 4058453 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.10 CNC(=O)[C@H](C)NC 4051973 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.10 CN[C@@H](C)C(=O)OC 4063702 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.10 CN[C@H](C)C(=O)OC 4068255 [0,1,0,0,0,0|2,0,1]=4 13 B7R1.1 CCC1C=CCN1 4090190 [0,0,0,1,0,0|1,0,1]=3 14 B7R1.1 CCN1C=CC=N1 3020409 [0,0,0,1,0,0|2,0,1]=4 15 B7R1.1 NCC1=CC=NN1 4088066 [0,0,0,1,0,0|3,0,0]=4 16 B7R1.1 NCC1=NOC=C1 2102253 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.1 NCC1=NOC=C1 4088492 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.2 CC1=COC(C)=C1 4091270 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.3 NC1C=CCCC1 4075151 [0,0,0,1,0,0|1,0,1]=3 20 B7R1.4 NC1CCNC1=O 4019954 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.4 N[C@@H]1CCNC1=O 4101224 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.4 N[C@H]1CCNC1=O 4107612 [0,0,0,1,0,0|2,0,1]=4 23 B6R0.2 CC(=O)CC(C)N 4022442 [1,1,0,0,0,0|0,0,2]=4 24 B6R0.2 CC(=O)CC(C)N 4089784 [1,1,0,0,0,0|0,0,2]=4 25 B8R0.2 COC(=O)C(=O)C(C)C 4045773 [0,2,0,0,0,0|1,0,0]=3 26 B8R0.2 COC(=O)C(=O)C(F)F 4041032 [0,2,0,0,0,0|2,0,0]=4 27 B8R0.3 CCOC(=O)C(N)CO 3020297 [0,2,0,0,0,0|1,0,1]=4 28 B8R0.8 CC(C)C(=O)NCCN 4090894 [0,2,0,0,0,0|1,0,1]=4 29 B6R1.2 NC1C=CCC1 4068828 [1,0,0,1,0,0|1,0,1]=4 30 B8R1.1 CC1=CC(CN)=NO1 4003548 [0,1,0,1,0,0|1,0,1]=4 31 B8R1.1 CC1=CNC(C=O)=C1 4036719 [0,1,0,1,0,0|1,0,1]=4 32 B8R1.1 CC1=CSC(CCl)=N1 4089233 [0,1,0,1,0,0|2,0,0]=4 33 B8R1.1 CC1=NC(CCl)=CO1 4038462 [0,1,0,1,0,0|2,0,0]=4 34 B8R1.1 CC1=NC(CCl)=CS1 4089600 [0,1,0,1,0,0|2,0,0]=4 35 B8R1.1 CC1=NNC(CN)=C1 4090142 [0,1,0,1,0,0|2,0,0]=4 36 B8R1.1 CCC1=CSC(N)=N1 4034888 [0,1,0,1,0,0|2,0,0]=4 37 B8R1.1 CCC1=CSC(N)=N1 4090225 [0,1,0,1,0,0|2,0,0]=4 38 B8R1.1 CCC1=NC=C(Br)S1 4041002 [0,1,0,1,0,0|1,1,0]=4 39 B8R1.1 CCC1=NC=C(Br)S1 4088439 [0,1,0,1,0,0|1,1,0]=4 40 B8R1.1 CCC1CCC(=O)N1 4027451 [0,1,0,1,0,0|0,0,2]=4 41 B8R1.1 NCC1CCC(=O)N1 4111537 [0,1,0,1,0,0|1,0,1]=4 42 B8R1.1 O=C1CCC(CCl)O1 4035082 [0,1,0,1,0,0|1,0,1]=4 43 B8R1.4 CC1CNCC(=O)N1 4049339 [0,1,0,1,0,0|1,0,1]=4 44 B8R1.4 C[C@H]1CNCC(=O)N1 4057204 [0,1,0,1,0,0|1,0,1]=4 45 B8R1.4 O=C1CNCC(=O)N1 4090724 [0,1,0,1,0,0|2,0,0]=4 46 B8R1.2 NCC1=CCCCC1 4089848 [0,1,0,1,0,0|1,0,1]=4 47 B8R1.3 N[C@H]1CCC(=O)NC1 4097106 [0,1,0,1,0,0|1,0,1]=4 48 B8R1.5 NC1CCCNC1=O 4089547 [0,1,0,1,0,0|1,0,1]=4 49 B8R1.5 O=C1CCCNC1=O 4038506 [0,1,0,1,0,0|1,0,0]=3 50 B8R1.22 O=C1CCNCCN1 4090378 [0,1,0,1,0,0|1,0,1]=4 51 B8R1.7 CC(C)C1=CC=NN1 4040291 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.8 CNCC1=CC=CS1 4087952 [0,1,0,1,0,0|0,1,1]=4 53 B8R1.8 CNCC1=CC=NN1 4088708 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.8 CNCC1=NOC=C1 2102254 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.8 NCCC1=CC=CO1 4087953 [0,1,0,1,0,0|0,0,2]=4 56 B8R1.8 NCCC1=CC=CS1 3020071 [0,1,0,1,0,0|0,1,1]=4 57 B8R1.8 OCCC1=CC=CO1 4039978 [0,1,0,1,0,0|0,0,2]=4