0 B8R1.18 CC1=CC(=O)N(C)N1 CS18184 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.18 CC1=NN(C)C(=O)C1 CS17716 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.18 CC1NC(=O)OC1=O CS17248 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.18 CC1NC(=O)OC1=O MC428306 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.18 CN1CC(N)CC1=O MC104828 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.18 CN1CC(O)CC1=O MC111393 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.18 O=C1C=C(Br)C(=O)O1 MC444615 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.2 CC1=CC(=O)CO1 MC429080 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.2 CC1=CC(=O)NN1 CS22601 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.2 CC1=NNC(=O)C1 CS16242 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.2 CC1=NNC(=O)O1 CS10427 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.2 CC1=NNC(=O)S1 MC107311 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.2 CC1COC(=O)N1 CS14300 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.2 CN1C=CC(=O)N1 CS17197 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.2 NC1=CC(=O)NN1 CS13152 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.2 NC1=NC(=O)NN1 MC429809 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.2 NC1=NCC(=O)N1 MC102809 [1,0,0,0,0,0|1,0,1]=3 20 B7R1.2 NC1=NNC(=O)C1 CS14532 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.2 NC1CNC(=O)C1 MC103473 [1,0,0,0,0,0|1,0,1]=3 22 B7R1.2 NC1COC(=O)C1 CS14340 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.2 NC1COC(=O)C1 CS14674 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.2 O=C1C=C(Br)CN1 MC431199 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.2 O=C1C=C(Br)CN1 MC431360 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.2 O=C1CC(O)CN1 CS14706 [1,0,0,0,0,0|1,0,2]=4 27 B7R1.2 O=C1CC(O)CN1 CS16472 [1,0,0,0,0,0|1,0,2]=4 28 B7R1.2 O=C1CCC(=O)N1 MC41707 [1,0,0,0,0,0|1,0,0]=2 29 B7R1.2 O=C1CNC(=O)C1 MC116520 [1,0,0,0,0,0|1,0,0]=2 30 B7R1.2 O=C1CNC(=S)N1 MC427395 [1,0,0,0,0,0|0,1,0]=2 31 B7R1.2 O=C1CSC(=O)N1 CS22526 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.2 O=C1NOC(=O)N1 MC115169 [1,0,0,0,0,0|1,0,0]=2 33 B7R1.4 CN1CCCC1=O MC41699 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.4 CN1N=CCC1=O CS15601 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.4 NC1CCNC1=O MC107169 [1,0,0,0,0,0|1,0,1]=3 36 B7R1.4 NC1CCNC1=O MC115917 [1,0,0,0,0,0|1,0,1]=3 37 B7R1.4 NC1CCOC1=O CS18578 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.4 NC1CCOC1=O MC439296 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.4 NC1CCSC1=O MC428331 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.4 NC1CONC1=O CS19264 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.4 NC1CONC1=O CS22528 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.4 NC1CONC1=O MC436879 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.4 NN1CCOC1=O MC102926 [1,0,0,0,0,0|1,0,1]=3 44 B7R1.4 O=C1NCCC1O CS19486 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.4 O=C1NCCC1O MC115910 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.4 O=C1NCCC1O MC444274 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.37 CN1C(=O)C=C(Br)C1=O MC111948 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.37 O=C1NC(=O)C(Br)=C1Br CS20814 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.38 CC1(C)CC(=O)OC1=O CS19863 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.38 O=C1CC(F)(F)C(=O)O1 MC112613 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,0,1,0,0,0|3,0,0]=4 52 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,0,1,0,0,0|3,0,0]=4 53 B7R0.2 COC(=O)CC(C)=O MC41927 [0,0,1,0,0,0|3,0,0]=4 54 B7R0.5 C=CCC(N)C(=O)O MC439179 [0,0,1,0,0,0|3,0,0]=4 55 B7R0.5 CCCC(N)C(N)=O MC438024 [0,0,1,0,0,0|2,0,1]=4 56 B7R0.7 CCOC(=O)CNN CS19987 [0,0,1,0,0,0|2,0,1]=4 57 B9R2.25 O=C1OC(=O)C2CC12 CS22387 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.34 CC1=CC(=O)NC(=O)N1 CS15364 [0,0,0,0,0,1|2,0,1]=4 59 B9R1.34 CC1CC(=O)CC(=O)C1 CS19597 [0,0,0,0,0,1|3,0,0]=4 60 B9R1.34 NC1=CC(=O)NC(=O)N1 CS22590 [0,0,0,0,0,1|1,0,1]=3 61 B9R1.34 NC1=CC(=O)NC(=S)N1 CS15528 [0,0,0,0,0,1|1,1,1]=4 62 B9R1.34 NC1=CC(=O)NC(F)=C1 MC430867 [0,0,0,0,0,1|2,0,1]=4 63 B9R1.34 O=C1C=C(Cl)NC(=O)N1 CS22570 [0,0,0,0,0,1|2,0,1]=4 64 B9R1.34 O=C1C=C(I)NC(=O)N1 CS22577 [0,0,0,0,0,1|2,0,1]=4 65 B9R1.34 O=C1CC(=O)NC(=O)N1 MC41653 [0,0,0,0,0,1|2,0,0]=3 66 B9R1.69 CC1=C(N)C=CC(=O)N1 MC425072 [0,0,0,0,0,1|2,0,1]=4 67 B9R1.69 CC1=CNC(=O)C(N)=C1 CS21574 [0,0,0,0,0,1|2,0,1]=4 68 B9R1.69 CC1=CNC(=O)N=C1N CS18115 [0,0,0,0,0,1|3,0,0]=4 69 B9R1.69 CC1=CNC(=O)NC1=O MC41652 [0,0,0,0,0,1|2,0,1]=4 70 B9R1.69 CC1=NC=C(N)C(=O)N1 CS14824 [0,0,0,0,0,1|2,0,1]=4 71 B9R1.69 CC1=NNC(=O)N(N)C1 MC114402 [0,0,0,0,0,1|1,0,0]=2 72 B9R1.69 CC1CCC(=O)NC1=O MC427305 [0,0,0,0,0,1|2,0,0]=3 73 B9R1.69 CC1CN(C)C(=O)CN1 MC104410 [0,0,0,0,0,1|2,0,1]=4 74 B9R1.69 CC1CN(C)C(=O)CN1 MC105415 [0,0,0,0,0,1|2,0,1]=4 75 B9R1.69 CC1CNC(=O)CC1=O CS12978 [0,0,0,0,0,1|3,0,0]=4 76 B9R1.69 CN1CC(=O)NCC1=O MC105654 [0,0,0,0,0,1|1,0,0]=2 77 B9R1.69 CN1CCC(=O)CC1=O MC105215 [0,0,0,0,0,1|2,0,0]=3 78 B9R1.69 NC1=CC=C(Br)NC1=O MC425557 [0,0,0,0,0,1|2,0,1]=4 79 B9R1.69 NC1=NC(=O)NC=C1F CS22057 [0,0,0,0,0,1|3,0,0]=4 80 B9R1.69 NC1CCC(=O)NC1=O CS13348 [0,0,0,0,0,1|1,0,0]=2 81 B9R1.69 NC1CCC(=O)NC1=O MC105196 [0,0,0,0,0,1|1,0,0]=2 82 B9R1.69 O=C1C=C(Br)C(=O)NN1 CS15149 [0,0,0,0,0,1|2,0,1]=4 83 B9R1.69 O=C1C=C(Cl)C(=O)NN1 CS22009 [0,0,0,0,0,1|2,0,1]=4 84 B9R1.69 O=C1CCC(Br)C(=O)N1 MC106801 [0,0,0,0,0,1|2,0,0]=3 85 B9R1.69 O=C1NC=C(Br)C(=O)N1 MC41642 [0,0,0,0,0,1|2,0,1]=4 86 B9R1.69 O=C1NC=C(Cl)C(=O)N1 MC41643 [0,0,0,0,0,1|2,0,1]=4 87 B9R1.69 O=C1NC=C(F)C(=O)N1 MC41650 [0,0,0,0,0,1|2,0,1]=4 88 B9R1.69 O=C1NC=C(I)C(=O)N1 CS22576 [0,0,0,0,0,1|2,0,1]=4 89 B9R1.69 O=C1NC=C(O)C(=O)N1 MC425472 [0,0,0,0,0,1|2,0,1]=4 90 B9R1.69 O=C1NN=C(Br)C(=O)N1 CS22521 [0,0,0,0,0,1|3,0,0]=4 91 B6R0.1 CCCC(=O)NN CS22544 [1,0,1,0,0,0|1,0,1]=4 92 B6R0.1 CCNC(=O)NC MC428152 [1,0,1,0,0,0|1,0,1]=4 93 B6R0.1 CCOC(=O)NN CS11383 [1,0,1,0,0,0|1,0,1]=4 94 B6R0.1 CNC(=O)CCN MC112263 [1,0,1,0,0,0|1,0,1]=4 95 B6R0.1 COCC(=O)NN CS11580 [1,0,1,0,0,0|2,0,0]=4 96 B6R0.2 CC(=O)\C=C(/C)N MC105899 [1,0,1,0,0,0|2,0,0]=4 97 B6R0.2 NC(=O)CC(N)=O CS11565 [1,0,1,0,0,0|1,0,0]=3 98 B6R0.2 NC(=O)C[N+](=O)[O-] MC442348 [1,0,1,0,0,0|1,0,1]=4 99 B6R0.2 NC(=O)NC(N)=O CS11485 [1,0,1,0,0,0|1,0,0]=3 100 B6R0.4 CN(C)\C=C\C=O MC42238 [1,0,1,0,0,0|2,0,0]=4 101 B6R0.3 CCC(N)C(N)=O CS15891 [1,0,1,0,0,0|1,0,1]=4 102 B6R0.3 CCC(N)C(N)=O MC436006 [1,0,1,0,0,0|1,0,1]=4 103 B6R0.3 CNC(=O)C(C)N MC436151 [1,0,1,0,0,0|1,0,1]=4 104 B6R0.3 NC(=O)C(N)CO MC438160 [1,0,1,0,0,0|1,0,1]=4 105 B6R1.2 NC1=CNC=N1 CS16117 [2,0,0,0,0,0|2,0,0]=4 106 B6R1.2 NN1C=CC=C1 MC10332 [2,0,0,0,0,0|1,0,1]=4 107 B6R1.2 NN1C=CC=N1 MC105737 [2,0,0,0,0,0|2,0,0]=4 108 B6R1.2 O=C1C=CNN1 MC106502 [2,0,0,0,0,0|2,0,0]=4 109 B6R1.2 O=C1C=CON1 MC442265 [2,0,0,0,0,0|2,0,0]=4 110 B6R1.2 O=C1C=CSN1 MC427073 [2,0,0,0,0,0|2,0,0]=4 111 B6R1.2 O=C1CC=NN1 CS20496 [2,0,0,0,0,0|2,0,0]=4 112 B6R1.2 O=C1CCNC1 CS22412 [2,0,0,0,0,0|1,0,1]=4 113 B6R1.2 O=C1CNCN1 CS15654 [2,0,0,0,0,0|0,0,1]=3 114 B6R1.2 O=C1NC=CN1 MC20853 [2,0,0,0,0,0|0,0,1]=3 115 B6R1.2 O=C1NCCN1 CS21607 [2,0,0,0,0,0|0,0,1]=3 116 B6R1.2 O=C1NCCS1 CS20525 [2,0,0,0,0,0|1,0,1]=4 117 B8R0.23 NC(=O)C(N)CC(=O)O MC436247 [0,1,1,0,0,0|2,0,0]=4 118 B8R0.23 NC(=O)C(N)CC(=O)O MC436248 [0,1,1,0,0,0|2,0,0]=4 119 B8R0.23 NC(=O)CC(N)C(=O)O CS19152 [0,1,1,0,0,0|1,0,0]=3 120 B8R0.23 NC(=O)CC(N)C(=O)O MC436231 [0,1,1,0,0,0|1,0,0]=3 121 B8R0.23 NC(=O)CC(N)C(N)=O MC436234 [0,1,1,0,0,0|1,0,0]=3 122 B8R0.23 NC(CC(=O)O)C(=O)O CS18065 [0,1,1,0,0,0|2,0,0]=4 123 B8R0.23 NC(CC(=O)O)C(=O)O MC436244 [0,1,1,0,0,0|2,0,0]=4 124 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MC439204 [0,1,1,0,0,0|2,0,0]=4 125 B8R1.1 NCC1CNC(=O)C1 MC101927 [1,1,0,0,0,0|1,0,1]=4 126 B8R1.1 NCC1CNC(=O)C1 MC105678 [1,1,0,0,0,0|1,0,1]=4 127 B8R1.1 NCC1CNC(=O)C1 MC121239 [1,1,0,0,0,0|1,0,1]=4 128 B8R1.50 CC1C(=O)CCC1=O CS21655 [1,1,0,0,0,0|2,0,0]=4 129 B8R1.50 O=C1CCC(=O)N1Br CS19757 [1,1,0,0,0,0|1,0,0]=3 130 B8R1.50 O=C1CCC(=O)N1I CS19758 [1,1,0,0,0,0|1,0,0]=3 131 B8R1.50 O=C1CCC(=O)N1O CS19674 [1,1,0,0,0,0|1,0,0]=3 132 B8R1.51 CC1(C)CNC(=O)N1 MC443125 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.22 CC1C(=O)NC(=O)NC1=O MC427272 [0,1,0,0,0,1|2,0,0]=4 134 B10R1.22 CN1C(=O)CC(=O)NC1=O MC445509 [0,1,0,0,0,1|2,0,0]=4 135 B10R1.22 CN1C(=O)NC(=O)C=C1N MC426077 [0,1,0,0,0,1|1,0,1]=4 136 B10R1.119 CN1C=CC(=O)N(C)C1=O CS21768 [0,1,0,0,0,1|1,0,1]=4 137 B10R1.59 CC(=O)N1CC(=O)NC1=S MC427434 [0,2,0,0,0,0|1,1,0]=4 138 B8R1.4 O=C1C=CNC(=O)N1 CS19249 [0,0,1,1,0,0|1,0,1]=4 139 B8R1.4 O=C1C=NNC(=O)N1 CS22086 [0,0,1,1,0,0|0,0,2]=4 140 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,0,1,1,0,0|2,0,0]=4 141 B8R1.4 O=C1CNCC(=O)N1 CS19079 [0,0,1,1,0,0|1,0,0]=3 142 B8R1.4 O=C1N=CNC(=O)N1 MC111110 [0,0,1,1,0,0|2,0,0]=4 143 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,0,1,1,0,0|2,0,0]=4 144 B6R1.5 NC1CC(=O)C1 MC444232 [1,0,0,0,1,0|1,0,1]=4 145 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,0,1,0,0,1|1,0,0]=3 146 B8R1.3 NC1=CNC(=O)C=C1 CS15177 [1,0,0,0,0,1|1,0,1]=4 147 B8R1.3 NC1CCC(=O)NC1 MC113024 [1,0,0,0,0,1|1,0,1]=4 148 B8R1.3 NC1CCC(=O)NC1 MC444382 [1,0,0,0,0,1|1,0,1]=4 149 B8R1.3 O=C1CCC(=O)CC1 CS19236 [1,0,0,0,0,1|2,0,0]=4 150 B8R1.3 O=C1CCC(=O)NC1 CS21155 [1,0,0,0,0,1|1,0,0]=3