0 B18R3.12875 C(=C1CCOCC1)c2cc3ccccc3o2 AIFCHEM-6410730815 [0,0,0,0,0,0|3,1,0]=4 1 B18R3.12875 C(=C1CCOCC1)c2cn3ccccc3n2 AIFCHEM-6371925563 [0,0,0,0,0,0|4,0,0]=4 2 B18R3.12875 c1ccc2[nH]c(nc2c1)CN3CCCOC3 AIFCHEM-5716092228 [0,0,0,0,0,0|4,0,0]=4 3 B18R3.12875 c1ccc2sc(cc2c1)CN3CCCOC3 AIFCHEM-5765894756 [0,0,0,0,0,0|4,0,0]=4 4 B18R3.12875 c1ccc2sc(nc2c1)CN3CCSCC3 AIFCHEM-94541227106 [0,0,0,0,0,0|1,1,0]=2 5 B18R3.12875 c1ccn2cc(nc2c1)NC3CCOCC3 AIFCHEM-6026084371 [0,0,0,0,0,0|4,0,0]=4 6 B19R3.182 Brc1c(sc2c1cccc2)CN3CCSCC3 AIFCHEM-94541221971 [0,1,0,0,0,0|2,1,0]=4 7 B19R3.182 Cn1c(nc2c1cccc2)C=C3CCOCC3 AIFCHEM-6317734466 [0,1,0,0,0,0|3,0,0]=4 8 B19R3.8304 Fc1cccc2c1sc(n2)C=C3CCOCC3 AIFCHEM-6411788969 [0,1,0,0,0,0|2,0,0]=3 9 B19R3.54463 CC1CCCN(C1)Cc2nc3ccccc3s2 AIFCHEM-94534150891 [0,1,0,0,0,0|2,0,0]=3 10 B19R3.54463 CC1CN(CCO1)Cc2cc3cccnc3s2 AIFCHEM-5764975674 [0,1,0,0,0,0|3,0,0]=4 11 B19R3.54463 CC1CN(CCO1)Cc2cn3ccccc3n2 AIFCHEM-5770799082 [0,1,0,0,0,0|3,0,0]=4 12 B19R3.54463 CC1CN(CCO1)Cc2nc3ccccc3s2 AIFCHEM-5714558844 [0,1,0,0,0,0|1,0,0]=2 13 B19R3.54463 CC1CN(CCS1)Cc2cc3ccccc3s2 AIFCHEM-94534774920 [0,1,0,0,0,0|2,1,0]=4 14 B19R3.54463 CC1CN(CCS1)Cc2nc3ccccc3[nH]2 AIFCHEM-94534774752 [0,1,0,0,0,0|2,1,0]=4 15 B19R3.54463 C[C@@H]1CCCN(C1)Cc2nc3ccccc3s2 AIFCHEM-6067014495 [0,1,0,0,0,0|2,0,0]=3 16 B19R3.54463 C[C@@H]1CN(CCO1)Cc2cc3cccnc3s2 AIFCHEM-5649041176 [0,1,0,0,0,0|3,0,0]=4 17 B19R3.54463 C[C@@H]1CN(CCO1)Cc2cn3ccccc3n2 AIFCHEM-5605654370 [0,1,0,0,0,0|3,0,0]=4 18 B19R3.54463 C[C@@H]1CN(CCO1)Cc2nc3ccccc3s2 AIFCHEM-94583864859 [0,1,0,0,0,0|1,0,0]=2 19 B19R3.54463 C[C@H]1CCCN(C1)Cc2nc3ccccc3s2 AIFCHEM-94598398972 [0,1,0,0,0,0|2,0,0]=3 20 B19R3.54463 C[C@H]1CN(CCO1)Cc2cc3cccnc3s2 AIFCHEM-5611262809 [0,1,0,0,0,0|3,0,0]=4 21 B19R3.54463 C[C@H]1CN(CCO1)Cc2cn3ccccc3n2 AIFCHEM-94579467459 [0,1,0,0,0,0|3,0,0]=4 22 B19R3.54463 C[C@H]1CN(CCO1)Cc2nc3ccccc3s2 AIFCHEM-5658852253 [0,1,0,0,0,0|1,0,0]=2 23 B19R3.54463 FC1CCCN(C1)Cc2cc3ccccc3s2 AIFCHEM-5778986335 [0,1,0,0,0,0|3,0,0]=4 24 B19R3.54463 FC1CCCN(C1)Cc2nc3ccccc3[nH]2 AIFCHEM-5733296801 [0,1,0,0,0,0|3,0,0]=4 25 B19R3.54463 OC1CN(CCO1)Cc2cc3ccccc3[nH]2 AIFCHEM-6480550057 [0,1,0,0,0,0|2,0,1]=4 26 B19R3.54463 OC1CN(CCO1)Cc2cc3cnccc3s2 AIFCHEM-6409657144 [0,1,0,0,0,0|3,0,0]=4 27 B19R3.54463 OC1CN(CCO1)Cc2cn3ccccc3n2 AIFCHEM-6410009543 [0,1,0,0,0,0|3,0,0]=4 28 B19R3.88146 Brc1ccc2cc(sc2c1)CN3CCSCC3 AIFCHEM-6052971020 [0,1,0,0,0,0|2,1,0]=4 29 B19R3.88146 Brc1ccc2sc(cc2c1)CN3CCSCC3 AIFCHEM-6081312027 [0,1,0,0,0,0|2,1,0]=4 30 B19R3.88146 Cc1ccc2nc(sc2c1)C=C3CCOCC3 AIFCHEM-6380229736 [0,1,0,0,0,0|2,0,0]=3 31 B19R3.88146 Fc1ccc2nc([nH]c2c1)CN3CCSCC3 AIFCHEM-6029744546 [0,1,0,0,0,0|2,1,0]=4 32 B19R3.171030 CC1COCCC1Nc2cc3ccccc3s2 AIFCHEM-6216220567 [0,1,0,0,0,0|3,0,0]=4 33 B19R3.171030 CC1COCCN1Cc2cc3ccccc3o2 AIFCHEM-6150788831 [0,1,0,0,0,0|2,1,0]=4 34 B19R3.171030 C[C@@H]1CCCCN1Cc2cc3ccccc3s2 AIFCHEM-5743480541 [0,1,0,0,0,0|3,0,0]=4 35 B19R3.171030 C[C@@H]1CCCCN1Cc2nc3ccccc3s2 AIFCHEM-5769182025 [0,1,0,0,0,0|2,0,0]=3 36 B19R3.171030 C[C@@H]1COCCN1Cc2cc3ccccc3o2 AIFCHEM-94569765156 [0,1,0,0,0,0|2,1,0]=4 37 B19R3.171030 C[C@H]1CCCCN1Cc2cc3ccccc3s2 AIFCHEM-5890227932 [0,1,0,0,0,0|3,0,0]=4 38 B19R3.171030 C[C@H]1CCCCN1Cc2nc3ccccc3s2 AIFCHEM-94588086780 [0,1,0,0,0,0|2,0,0]=3 39 B19R3.171030 C[C@H]1COCCN1Cc2cc3ccccc3o2 AIFCHEM-5784851349 [0,1,0,0,0,0|2,1,0]=4 40 B19R3.241821 CC1CCN(CC1)Cc2nc3ccccc3s2 AIFCHEM-94595731125 [0,1,0,0,0,0|2,0,0]=3 41 B19R3.241821 CN1CCN(CC1)Cc2nc3ccccc3s2 AIFCHEM-5808913362 [0,1,0,0,0,0|2,0,0]=3 42 B19R3.241821 OC1CCN(CC1)Cc2cc3ccccc3s2 AIFCHEM-94546655372 [0,1,0,0,0,0|3,0,0]=4 43 B19R3.241821 OC1CCN(CC1)Cc2nc3ccccc3s2 AIFCHEM-94546657044 [0,1,0,0,0,0|2,0,0]=3 44 B17R2.2569 CCSCCNCc1nc2ccccc2[nH]1 AIFCHEM-94566117393 [0,0,1,0,0,0|2,1,0]=4 45 B17R2.3569 CCN(CCO)Cc1cc2ccccc2o1 AIFCHEM-6498677834 [0,0,1,0,0,0|2,1,0]=4 46 B17R2.3569 CCN(CCO)Cc1cc2cccnc2s1 AIFCHEM-6495498630 [0,0,1,0,0,0|3,0,0]=4 47 B17R2.3569 CCN(CCO)Cc1nc2ccccc2s1 AIFCHEM-6496040120 [0,0,1,0,0,0|1,0,0]=2 48 B17R3.8685 C(=C1CCCC1)c2nc3ccccc3s2 AIFCHEM-6387443180 [0,0,0,0,1,0|2,0,0]=3 49 B17R3.8685 C(=C1CCCC1)c2nc3cccnc3s2 AIFCHEM-6413153062 [0,0,0,0,1,0|3,0,0]=4 50 B17R3.8685 c1ccc2sc(cc2c1)NC3CCCC3 AIFCHEM-94541527520 [0,0,0,0,1,0|3,0,0]=4 51 B17R3.8685 c1ccc2sc(cc2c1)NC3CCOC3 AIFCHEM-6236899354 [0,0,0,0,1,0|3,0,0]=4 52 B17R3.8685 c1ccc2sc(nc2c1)CN3CCSC3 AIFCHEM-5624363275 [0,0,0,0,1,0|1,1,0]=3 53 B17R3.8708 C1=C(CCOC1)c2nc3ccccc3[nH]2 AIFCHEM-6408945979 [0,0,0,0,1,0|2,0,1]=4 54 B19R3.19215 C(=C1CCOCC1)c2ccc3ccccc3n2 AIFCHEM-6322293223 [0,0,0,0,0,1|3,0,0]=4 55 B16R2.734 CCCN(C)Cc1nc2ccccc2[nH]1 AIFCHEM-94569024833 [1,0,1,0,0,0|2,0,0]=4 56 B16R2.2875 CCCCC=Cc1nc2ccccc2s1 AIFCHEM-6474188844 [1,0,1,0,0,0|2,0,0]=4 57 B16R2.2875 COCCNCc1cc2ccccc2s1 AIFCHEM-6016117074 [1,0,1,0,0,0|2,0,0]=4 58 B16R2.2875 CSCCNCc1nc2ccccc2s1 AIFCHEM-94598923624 [1,0,1,0,0,0|1,1,0]=4 59 B18R2.12168 CCN(CCOC)Cc1cc2ccccc2s1 AIFCHEM-5756271549 [0,1,1,0,0,0|2,0,0]=4 60 B18R2.12168 CCN(CCOC)Cc1nc2ccccc2s1 AIFCHEM-5762926223 [0,1,1,0,0,0|1,0,0]=3 61 B18R2.14666 COCC(C)N(C)Cc1cc2ccccc2s1 AIFCHEM-94595863985 [0,1,1,0,0,0|2,0,0]=4 62 B18R2.1897 CCOCC(=O)NCc1nc2ccccc2s1 AIFCHEM-6220276838 [0,1,1,0,0,0|1,0,1]=4 63 B18R2.2815 CCOCCNCc1nc2ccccc2n1C AIFCHEM-94548605565 [0,1,1,0,0,0|2,0,0]=4 64 B18R2.7339 OCCOCCNCc1cc2ccccc2s1 AIFCHEM-94566171245 [0,1,1,0,0,0|2,0,0]=4 65 B18R2.7339 OCCOCCNCc1nc2ccccc2[nH]1 AIFCHEM-94567367325 [0,1,1,0,0,0|2,0,0]=4 66 B18R2.9731 CCOCCNCc1cc2cc(ccc2s1)Br AIFCHEM-94548607909 [0,1,1,0,0,0|2,0,0]=4 67 B18R2.9731 CCOCCNCc1cc2cc(ccc2s1)Cl AIFCHEM-94548605468 [0,1,1,0,0,0|2,0,0]=4 68 B18R2.9731 CCOCCNCc1cc2ccc(cc2s1)Br AIFCHEM-94548604618 [0,1,1,0,0,0|2,0,0]=4 69 B18R2.14794 CCOCCNC(=O)c1nc2ccccc2s1 AIFCHEM-94548614575 [0,1,1,0,0,0|1,0,0]=3 70 B18R2.4153 CCN(CCO)Cc1sc2ccccc2c1C AIFCHEM-6510522532 [0,1,1,0,0,0|2,0,0]=4 71 B18R2.75402 CCCN(CC)C(=O)c1nc2ccccc2s1 AIFCHEM-97213974707 [0,1,1,0,0,0|2,0,0]=4 72 B18R2.75402 CCN(CCF)C(=O)c1nc2ccccc2s1 AIFCHEM-97214069603 [0,1,1,0,0,0|2,0,0]=4 73 B18R2.95416 CCN(Cc1nc2ccccc2s1)C(=O)CO AIFCHEM-97888538664 [0,1,1,0,0,0|1,0,1]=4 74 B18R3.30587 FC1CCN(C1)Cc2nc3ccccc3[nH]2 AIFCHEM-6180959815 [0,1,0,0,1,0|2,0,0]=4 75 B18R3.30587 F[C@@H]1CCN(C1)Cc2nc3ccccc3[nH]2 AIFCHEM-5656489098 [0,1,0,0,1,0|2,0,0]=4 76 B18R3.30587 F[C@H]1CCN(C1)Cc2nc3ccccc3[nH]2 AIFCHEM-5685874905 [0,1,0,0,1,0|2,0,0]=4 77 B18R3.30587 OC1CCN(C1)Cc2nc3ccccc3s2 AIFCHEM-6439757223 [0,1,0,0,1,0|1,0,0]=3 78 B18R3.30587 O[C@@H]1CCN(C1)Cc2nc3ccccc3s2 AIFCHEM-6475005882 [0,1,0,0,1,0|1,0,0]=3 79 B18R3.30587 O[C@H]1CCN(C1)Cc2nc3ccccc3s2 AIFCHEM-94554914104 [0,1,0,0,1,0|1,0,0]=3 80 B18R3.32726 Nc1ccc2sc(nc2c1)C=C3CCCC3 AIFCHEM-6414568803 [0,1,0,0,1,0|2,0,0]=4 81 B18R3.88205 Fc1cccc2c1sc(n2)C=C3CCCC3 AIFCHEM-6425979026 [0,1,0,0,1,0|2,0,0]=4 82 B18R3.93074 CC1CCCN1Cc2cc3ccccc3s2 AIFCHEM-5724698455 [0,1,0,0,1,0|2,0,0]=4 83 B18R3.93074 CC1CCCN1Cc2nc3ccccc3[nH]2 AIFCHEM-5763010340 [0,1,0,0,1,0|2,0,0]=4 84 B18R3.93074 C[C@@H]1CCCN1Cc2cc3ccccc3s2 AIFCHEM-6077858627 [0,1,0,0,1,0|2,0,0]=4 85 B18R3.93074 C[C@@H]1CCCN1Cc2nc3ccccc3[nH]2 AIFCHEM-6034888092 [0,1,0,0,1,0|2,0,0]=4 86 B18R3.93074 C[C@H]1CCCN1Cc2cc3ccccc3s2 AIFCHEM-94569864426 [0,1,0,0,1,0|2,0,0]=4 87 B18R3.93074 C[C@H]1CCCN1Cc2nc3ccccc3[nH]2 AIFCHEM-94569864258 [0,1,0,0,1,0|2,0,0]=4 88 B18R3.5893 Cc1cccc2c1nc(s2)C3=CCOCC3 AIFCHEM-6472524698 [0,1,0,0,1,0|1,0,1]=4 89 B18R3.32722 Fc1ccc2nc(sc2c1)C3=CCOCC3 AIFCHEM-6463122114 [0,1,0,0,1,0|1,0,1]=4 90 B20R3.298912 OC1CN(CCO1)Cc2cnc3ccccc3n2 AIFCHEM-6430420278 [0,1,0,0,0,1|2,0,0]=4 91 B20R3.94169 Cc1ccc2sc(nc2c1)NCC3CCOCC3 AIFCHEM-6222913165 [0,1,0,0,0,1|2,0,0]=4 92 B20R3.94169 Fc1ccc2sc(nc2c1)NCC3CCOCC3 AIFCHEM-5853693385 [0,1,0,0,0,1|2,0,0]=4 93 B20R3.248100 Brc1cccc2c1nc(s2)NCC3CCOCC3 AIFCHEM-5924897735 [0,1,0,0,0,1|2,0,0]=4 94 B20R3.248100 Clc1cccc2c1nc(s2)NCC3CCOCC3 AIFCHEM-94564105471 [0,1,0,0,0,1|2,0,0]=4 95 B20R3.14686862 CC1(CCOCC1)CNc2nc3ccccc3s2 AIFCHEM-94552854476 [0,1,0,0,0,1|2,0,0]=4 96 B20R3.157571 Cn1c(nc2c1cccc2)CN3CCCOCC3 AIFCHEM-5789743726 [0,1,0,0,0,1|2,0,0]=4 97 B20R3.3143876 O[C@@H]1COCCN(C1)Cc2nc3ccccc3[nH]2 AIFCHEM-94566828845 [0,1,0,0,0,1|2,0,0]=4 98 B20R3.3143876 O[C@H]1COCCN(C1)Cc2nc3ccccc3[nH]2 AIFCHEM-6437209372 [0,1,0,0,0,1|2,0,0]=4 99 B20R3.3154734 OC1CCCN(CC1)Cc2nc3ccccc3s2 AIFCHEM-6492956893 [0,1,0,0,0,1|2,0,0]=4 100 B20R3.5484 Cn1c(nc2c1cccc2)CN3CCOC(C3)O AIFCHEM-6386995225 [0,2,0,0,0,0|2,0,0]=4 101 B20R3.5484 OC1CN(CCO1)Cc2sc3ccccc3c2Br AIFCHEM-6461577722 [0,2,0,0,0,0|2,0,0]=4 102 B20R3.6057 C[C@@H]1CN([C@@H](CO1)C)Cc2cc3ccccc3s2 AIFCHEM-5913390371 [0,2,0,0,0,0|2,0,0]=4 103 B20R3.6057 C[C@@H]1CN([C@@H](CO1)C)Cc2nc3ccccc3s2 AIFCHEM-5915691682 [0,2,0,0,0,0|1,0,0]=3 104 B20R3.6057 C[C@@H]1CO[C@H](CN1Cc2cc3ccccc3s2)C AIFCHEM-94598483816 [0,2,0,0,0,0|2,0,0]=4 105 B20R3.6057 C[C@@H]1CO[C@H](CN1Cc2nc3ccccc3s2)C AIFCHEM-94598485488 [0,2,0,0,0,0|1,0,0]=3 106 B20R3.6057 C[C@H]1CN([C@H](CO1)C)Cc2cc3ccccc3s2 AIFCHEM-94530518875 [0,2,0,0,0,0|2,0,0]=4 107 B20R3.6057 C[C@H]1CN([C@H](CO1)C)Cc2nc3ccccc3s2 AIFCHEM-94530520547 [0,2,0,0,0,0|1,0,0]=3 108 B20R3.41528 CCC1CN(CCO1)Cc2nc3ccccc3[nH]2 AIFCHEM-6121882881 [0,2,0,0,0,0|2,0,0]=4 109 B20R3.41528 CC[C@H]1CN(CCO1)Cc2nc3ccccc3[nH]2 AIFCHEM-5992922237 [0,2,0,0,0,0|2,0,0]=4 110 B20R3.41528 OCC1CN(CCO1)Cc2nc3ccccc3[nH]2 AIFCHEM-94567757077 [0,2,0,0,0,0|2,0,0]=4 111 B20R3.41528 OCC1CN(CCO1)Cc2nc3ccccc3s2 AIFCHEM-6480379918 [0,2,0,0,0,0|1,0,0]=3 112 B20R3.41528 OC[C@@H]1CN(CCO1)Cc2nc3ccccc3[nH]2 AIFCHEM-94559599115 [0,2,0,0,0,0|2,0,0]=4 113 B20R3.41528 OC[C@@H]1CN(CCO1)Cc2nc3ccccc3s2 AIFCHEM-6502142439 [0,2,0,0,0,0|1,0,0]=3 114 B20R3.41528 OC[C@H]1CN(CCO1)Cc2nc3ccccc3[nH]2 AIFCHEM-94607040712 [0,2,0,0,0,0|2,0,0]=4 115 B20R3.41528 OC[C@H]1CN(CCO1)Cc2nc3ccccc3s2 AIFCHEM-6451103436 [0,2,0,0,0,0|1,0,0]=3 116 B20R3.137796 FC1(CCCN(C1)Cc2nc3ccccc3s2)F AIFCHEM-5637371643 [0,2,0,0,0,0|2,0,0]=4 117 B20R3.298887 OC1CN(CCO1)Cc2cc3cc(ccc3s2)Br AIFCHEM-6482387247 [0,2,0,0,0,0|2,0,0]=4 118 B20R3.298887 OC1CN(CCO1)Cc2nc3ccc(cc3[nH]2)F AIFCHEM-6409523307 [0,2,0,0,0,0|2,0,0]=4 119 B20R3.404536 CC1CN(CCN1C)Cc2nc3ccccc3s2 AIFCHEM-6161024426 [0,2,0,0,0,0|2,0,0]=4 120 B20R3.404536 C[C@@H]1CN(CCN1C)Cc2nc3ccccc3s2 AIFCHEM-5829743394 [0,2,0,0,0,0|2,0,0]=4 121 B20R3.404536 C[C@H]1CN(CCN1C)Cc2nc3ccccc3s2 AIFCHEM-6078037765 [0,2,0,0,0,0|2,0,0]=4 122 B20R3.404536 O[C@@H]1CCN(C[C@@H]1O)Cc2nc3ccccc3s2 AIFCHEM-6467717851 [0,2,0,0,0,0|2,0,0]=4 123 B20R3.4835143 CC1CN(CCO1)C(=O)c2nc3ccccc3[nH]2 AIFCHEM-94567347890 [0,2,0,0,0,0|2,0,0]=4 124 B20R3.4835143 C[C@@H]1CN(CCO1)C(=O)c2nc3ccccc3[nH]2 AIFCHEM-5605902284 [0,2,0,0,0,0|2,0,0]=4 125 B20R3.4835143 C[C@H]1CN(CCO1)C(=O)c2nc3ccccc3[nH]2 AIFCHEM-5667458411 [0,2,0,0,0,0|2,0,0]=4 126 B20R3.522607 OCc1ccc2nc(sc2c1)C=C3CCOCC3 AIFCHEM-94535565960 [0,2,0,0,0,0|2,0,0]=4 127 B20R3.3317099 CC1COCCN1Cc2cc3ccc(cc3s2)Br AIFCHEM-94530727372 [0,2,0,0,0,0|2,0,0]=4 128 B20R3.3317099 C[C@@H]1COCCN1Cc2cc3ccc(cc3s2)Br AIFCHEM-94569763440 [0,2,0,0,0,0|2,0,0]=4 129 B20R3.3317099 C[C@H]1COCCN1Cc2cc3ccc(cc3s2)Br AIFCHEM-5701356442 [0,2,0,0,0,0|2,0,0]=4 130 B20R3.14329 CC1COCC(N1Cc2cc3ccccc3s2)C AIFCHEM-6029402550 [0,2,0,0,0,0|2,0,0]=4 131 B20R3.14329 C[C@@H]1COC[C@@H](N1Cc2cc3ccccc3s2)C AIFCHEM-94569261122 [0,2,0,0,0,0|2,0,0]=4 132 B20R3.14329 C[C@@H]1COC[C@H](N1Cc2cc3ccccc3s2)C AIFCHEM-94568783314 [0,2,0,0,0,0|2,0,0]=4 133 B20R3.14329 C[C@H]1COC[C@@H](N1Cc2cc3ccccc3s2)C AIFCHEM-5700006471 [0,2,0,0,0,0|2,0,0]=4 134 B20R3.2864785 CC1COCCN1C(=O)c2cc3ccccc3s2 AIFCHEM-94530741623 [0,2,0,0,0,0|2,0,0]=4 135 B20R3.2864785 CC1COCCN1C(=O)c2nc3ccccc3s2 AIFCHEM-6161358588 [0,2,0,0,0,0|1,0,0]=3 136 B20R3.2864785 C[C@@H]1COCCN1C(=O)c2cc3ccccc3s2 AIFCHEM-94569775271 [0,2,0,0,0,0|2,0,0]=4 137 B20R3.2864785 C[C@@H]1COCCN1C(=O)c2nc3ccccc3s2 AIFCHEM-5662492401 [0,2,0,0,0,0|1,0,0]=3 138 B20R3.2864785 C[C@H]1COCCN1C(=O)c2cc3ccccc3s2 AIFCHEM-94571075170 [0,2,0,0,0,0|2,0,0]=4 139 B20R3.2864785 C[C@H]1COCCN1C(=O)c2nc3ccccc3s2 AIFCHEM-94571073296 [0,2,0,0,0,0|1,0,0]=3 140 B20R3.7090 CCN1CCN(CC1)Cc2nc3ccccc3s2 AIFCHEM-94598706556 [0,2,0,0,0,0|2,0,0]=4 141 B20R3.7090 N#CC1CCN(CC1)Cc2nc3ccccc3s2 AIFCHEM-5676398191 [0,2,0,0,0,0|2,0,0]=4 142 B20R3.7090 O=CN1CCN(CC1)Cc2nc3ccccc3s2 AIFCHEM-6054508505 [0,2,0,0,0,0|2,0,0]=4 143 B18R3.119087 CN(Cc1cc2ccccc2s1)C3COC3 AIFCHEM-5997920300 [0,0,1,1,0,0|2,0,0]=4 144 B18R3.5251137 CN(Cc1nc2ccccc2s1)CC3CC3 AIFCHEM-5926216901 [0,0,1,1,0,0|2,0,0]=4 145 B18R3.12728 c1ccc2[nH]c(nc2c1)CNC3CCOC3 AIFCHEM-94567367951 [0,0,1,1,0,0|2,0,0]=4 146 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@@H]3CCOC3 AIFCHEM-5799760211 [0,0,1,1,0,0|2,0,0]=4 147 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@H]3CCOC3 AIFCHEM-94585469225 [0,0,1,1,0,0|2,0,0]=4 148 B18R3.43830 C[C@@H]1C[C@H]1CNCc2nc3ccccc3s2 AIFCHEM-94599418562 [0,0,1,1,0,0|2,0,0]=4 149 B18R3.228811 c1ccc2[nH]c(nc2c1)CNCC3CCO3 AIFCHEM-94567676814 [0,0,1,1,0,0|2,0,0]=4 150 B18R3.228811 c1ccc2[nH]c(nc2c1)CNC[C@H]3CCO3 AIFCHEM-5718747202 [0,0,1,1,0,0|2,0,0]=4 151 B18R3.228811 c1ccc2sc(nc2c1)CNCC3CCO3 AIFCHEM-94567678654 [0,0,1,1,0,0|1,0,0]=3 152 B18R3.228811 c1ccc2sc(nc2c1)CNC[C@@H]3CCO3 AIFCHEM-5846486052 [0,0,1,1,0,0|1,0,0]=3 153 B18R3.228811 c1ccc2sc(nc2c1)CNC[C@H]3CCO3 AIFCHEM-5695062876 [0,0,1,1,0,0|1,0,0]=3 154 B20R4.7553724 c1ccc2[nH]c(nc2c1)CN3CC4CC3CO4 AIFCHEM-5804881569 [0,1,0,1,0,0|2,0,0]=4 155 B20R4.7553724 c1ccc2[nH]c(nc2c1)CN3C[C@@H]4C[C@H]3CO4 AIFCHEM-5755099002 [0,1,0,1,0,0|2,0,0]=4 156 B20R4.7553724 c1ccc2[nH]c(nc2c1)CN3C[C@H]4C[C@@H]3CO4 AIFCHEM-5732539147 [0,1,0,1,0,0|2,0,0]=4 157 B20R4.39303776 c1ccc2sc(nc2c1)CN3CC4CC(C3)O4 AIFCHEM-6009302810 [0,1,0,1,0,0|1,0,0]=3 158 B16R3.5925 C1=C(CCO1)c2nc3ccccc3s2 AIFCHEM-6479689005 [0,0,0,0,2,0|1,0,1]=4 159 B16R3.63995 c1ccc2[nH]c(nc2c1)CN3CCC3 AIFCHEM-6016405258 [0,0,0,0,2,0|2,0,0]=4 160 B18R2.33945 COCCN(C)Cc1ccc2ccccc2n1 AIFCHEM-6043939120 [0,0,1,0,0,1|2,0,0]=4 161 B20R3.1869517 c1ccc2cc(ncc2c1)CN3CCCOCC3 AIFCHEM-94553865753 [0,0,0,0,0,2|2,0,0]=4 162 B20R3.1870113 c1ccc2sc(nc2c1)CN3CCCCCCC3 AIFCHEM-6028367777 [0,0,0,0,0,2|2,0,0]=4