0 B13R1.45 CC(=O)COC(=O)c1ccccc1 CSC000000904 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.45 CC(=O)NNC(=O)c1ccccc1 CSC000002264 [0,0,0,0,0,0|1,0,2]=3 2 B13R1.45 CC(=O)NNC(=O)c1ccccn1 CSC000001445 [0,0,0,0,0,0|2,0,2]=4 3 B13R1.45 CC(=O)NNC(=O)c1cccnc1 CSC000002343 [0,0,0,0,0,0|2,0,2]=4 4 B13R1.45 CC(=O)NNC(=O)c1ccncc1 CSC000001435 [0,0,0,0,0,0|0,0,2]=2 5 B13R1.45 CC(=O)OCC(=O)c1ccccc1 CSC000000662 [0,0,0,0,0,0|3,0,1]=4 6 B13R1.45 CC(C)CNC(=O)c1ccccc1 CSC000160781 [0,0,0,0,0,0|3,0,1]=4 7 B13R1.45 CC(O)CNC(=O)c1ccccc1 CSC000192576 [0,0,0,0,0,0|2,0,1]=3 8 B13R1.45 CC(O)CNC(=O)c1ccncc1 CSC000208405 [0,0,0,0,0,0|1,0,1]=2 9 B13R1.45 NC(=O)CNC(=O)c1ccccc1 CSC000162210 [0,0,0,0,0,0|3,0,1]=4 10 B13R1.45 NC(=O)NNC(=O)c1ccccc1 CSC011204174 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.30 C=CCNC(=O)c1ccccc1 CSC000160304 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.30 CCCNC(=O)c1ccccc1 CSC000161722 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.30 NCCNC(=O)c1ccncc1 CSC011198449 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.252 CC(O)CNCc1ccncc1 CSC000186853 [1,0,0,0,0,0|1,0,2]=4 15 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)Br CSC000155536 [0,1,0,0,0,0|1,0,2]=4 16 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)C CSC034343310 [0,1,0,0,0,0|1,0,2]=4 17 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)Cl CSC020586510 [0,1,0,0,0,0|1,0,2]=4 18 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)I CSC000155538 [0,1,0,0,0,0|1,0,2]=4 19 B14R1.149 CC(O)CNC(=O)c1cccc(c1)F CSC000192584 [0,1,0,0,0,0|2,0,1]=4 20 B14R1.149 Nc1cccc(c1)C(=O)NCC(=O)O CSC011204447 [0,1,0,0,0,0|3,0,0]=4 21 B14R1.149 OC(=O)CNC(=O)c1cccc(c1)I CSC000194595 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.160 CC(=O)NNC(=O)c1ccccc1O CSC000016658 [0,1,0,0,0,0|1,0,2]=4 23 B14R1.160 CC(O)CNC(=O)c1ccccc1Cl CSC000192560 [0,1,0,0,0,0|2,0,1]=4 24 B14R1.163 CCC(=O)NNC(=O)c1ccncc1 CSC000001438 [0,1,0,0,0,0|0,0,2]=3 25 B14R1.163 CNC(=O)NNC(=O)c1ccccc1 CSC000044861 [0,1,0,0,0,0|1,0,2]=4 26 B14R1.163 COC(=O)CNC(=O)c1ccccc1 CSC000150126 [0,1,0,0,0,0|2,0,1]=4 27 B14R1.163 COC(=O)CNC(=O)c1ccncc1 CSC000161434 [0,1,0,0,0,0|1,0,1]=3 28 B14R1.163 COC(=O)NNC(=O)c1ccccc1 CSC020586581 [0,1,0,0,0,0|1,0,2]=4 29 B14R1.415 C[C@@H](NC(=O)c1ccccc1)C(=O)O CSC011504567 [0,1,0,0,0,0|3,0,0]=4 30 B14R1.417 CN(CC(=O)O)C(=O)c1ccccc1 CSC000194983 [0,1,0,0,0,0|3,0,0]=4 31 B14R1.678 CC(=O)NNC(=O)c1ccc(cc1)Br CSC000152858 [0,1,0,0,0,0|1,0,2]=4 32 B14R1.678 CC(=O)NNC(=O)c1ccc(cc1)Cl CSC000002346 [0,1,0,0,0,0|1,0,2]=4 33 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Br CSC000192562 [0,1,0,0,0,0|2,0,1]=4 34 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)C CSC000192580 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.54 CC(=O)NNC(=O)c1cccs1 CSC000003062 [0,0,0,0,1,0|1,0,2]=4 36 B12R1.54 CC(O)CNC(=O)c1cccs1 CSC000192586 [0,0,0,0,1,0|2,0,1]=4 37 B12R1.107 CC(C)NC(=O)c1ccccc1 CSC000157549 [0,0,0,0,1,0|2,0,1]=4 38 B14R1.420 CC(C)CCNC(=O)c1ccncc1 CSC046966015 [0,0,0,0,0,1|2,0,1]=4 39 B14R1.420 CN(C)CCNC(=O)c1ccncc1 CSC000002980 [0,0,0,0,0,1|3,0,0]=4 40 B14R1.423 OC(=O)CCC(=O)Nc1ccncc1 CSC011367273 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.16 CCNC(=O)c1ccccc1 CSC000160121 [2,0,0,0,0,0|1,0,1]=4 42 B11R1.16 CCOC(=O)c1ccncc1 CSC000169898 [2,0,0,0,0,0|1,0,1]=4 43 B13R1.24 CCCCNC(=O)c1ccncc1 CSC000002824 [1,1,0,0,0,0|1,0,1]=4 44 B13R1.24 OCCCNC(=O)c1ccncc1 CSC000208338 [1,1,0,0,0,0|1,0,1]=4 45 B13R1.352 CC(C)(C)NC(=O)c1ccncc1 CSC000171315 [0,1,0,0,1,0|1,0,1]=4 46 B15R1.500 CC(CNC(=O)c1ccncc1)C(=O)O CSC011724656 [0,1,0,0,0,1|2,0,0]=4 47 B15R1.959 COC(=O)CCNC(=O)c1ccncc1 CSC000159337 [0,1,0,0,0,1|1,0,1]=4 48 B15R1.1076 CC(CC(=O)O)NC(=O)c1ccncc1 CSC011275202 [0,1,0,0,0,1|2,0,0]=4 49 B15R1.1076 CC(O)CC(C)NC(=O)c1ccncc1 CSC013298274 [0,1,0,0,0,1|1,0,1]=4 50 B15R1.1078 CC(O)CCN(C)C(=O)c1ccncc1 CSC012593664 [0,1,0,0,0,1|1,0,1]=4 51 B15R1.1078 CN(CCC(=O)O)C(=O)c1ccncc1 CSC011389122 [0,1,0,0,0,1|2,0,0]=4 52 B15R1.8019 CC(O)CCNC(=O)c1ccncc1Br CSC016456618 [0,1,0,0,0,1|1,0,1]=4 53 B15R1.8019 CC(O)CCNC(=O)c1ccncc1Cl CSC012495113 [0,1,0,0,0,1|1,0,1]=4 54 B15R1.8019 CC(O)CCNC(=O)c1ccncc1F CSC012172880 [0,1,0,0,0,1|1,0,1]=4 55 B15R1.8273 CC(O)CCNC(=O)c1ccnc(c1)C CSC014104163 [0,1,0,0,0,1|1,0,1]=4 56 B15R1.256 CC(O)CNC(=O)Cc1ccncc1C CSC061408844 [0,1,0,0,0,1|1,0,1]=4 57 B15R1.256 C[C@H](O)CNC(=O)Nc1ccncc1I CSC061291712 [0,1,0,0,0,1|1,0,1]=4 58 B15R1.496 C[C@@H](O)CN(C)C(=O)Cc1ccncc1 CSC060868068 [0,1,0,0,0,1|1,0,1]=4 59 B15R1.964 CC(CO)CNC(=O)Nc1ccncc1 CSC061393024 [0,1,0,0,0,1|1,0,1]=4 60 B15R1.964 COC(C)CNC(=O)Nc1ccncc1 CSC061569921 [0,1,0,0,0,1|1,0,1]=4 61 B15R1.9108 CC(C)(O)CNC(=O)Cc1ccncc1 CSC012217406 [0,1,0,0,0,1|1,0,1]=4 62 B15R1.65 CSc1cc(ccn1)C(=O)NCC(C)O CSC061193771 [0,2,0,0,0,0|1,0,1]=4 63 B15R1.133 CC(CO)CNC(=O)c1ccnc(c1)C CSC014104164 [0,2,0,0,0,0|1,0,1]=4 64 B15R1.133 CC[C@H](O)CNC(=O)c1ccnc(c1)C CSC060915735 [0,2,0,0,0,0|1,0,1]=4 65 B15R1.133 COC(C)CNC(=O)c1ccnc(c1)C CSC061018051 [0,2,0,0,0,0|1,0,1]=4 66 B15R1.5450 CC(O)CNC(=O)c1cc(nc(c1)O)C CSC060800164 [0,2,0,0,0,0|1,0,1]=4 67 B15R1.5815 CC(CO)CNC(=O)c1ccncc1Br CSC016415834 [0,2,0,0,0,0|1,0,1]=4 68 B15R1.5815 CC(CO)CNC(=O)c1ccncc1Cl CSC012495114 [0,2,0,0,0,0|1,0,1]=4 69 B15R1.5815 CC(CO)CNC(=O)c1ccncc1F CSC012203642 [0,2,0,0,0,0|1,0,1]=4 70 B15R1.5815 CCC(O)CNC(=O)c1ccncc1C CSC014687182 [0,2,0,0,0,0|1,0,1]=4 71 B15R1.5815 CC[C@H](O)CNC(=O)c1ccncc1Cl CSC061435124 [0,2,0,0,0,0|1,0,1]=4 72 B15R1.5815 CC[C@H](O)CNC(=O)c1ccncc1F CSC061461397 [0,2,0,0,0,0|1,0,1]=4 73 B15R1.5815 COC(=O)CNC(=O)c1ccncc1Br CSC016476559 [0,2,0,0,0,0|1,0,1]=4 74 B15R1.5815 COC(C)CNC(=O)c1ccncc1Br CSC016503749 [0,2,0,0,0,0|1,0,1]=4 75 B15R1.5815 COC(C)CNC(=O)c1ccncc1C CSC061927350 [0,2,0,0,0,0|1,0,1]=4 76 B15R1.5815 COC(C)CNC(=O)c1ccncc1Cl CSC013876898 [0,2,0,0,0,0|1,0,1]=4 77 B15R1.5815 COC(C)CNC(=O)c1ccncc1F CSC013876604 [0,2,0,0,0,0|1,0,1]=4 78 B15R1.89 CCCC(=O)NNC(=O)c1ccncc1 CSC000001437 [0,2,0,0,0,0|0,0,2]=4 79 B15R1.89 CCOC(=O)NNC(=O)c1ccncc1 CSC032410338 [0,2,0,0,0,0|0,0,2]=4 80 B15R1.311 CCC(C)(O)CNC(=O)c1ccncc1 CSC012217548 [0,2,0,0,0,0|1,0,1]=4 81 B15R1.950 CN(C[C@H](O)CO)C(=O)c1ccncc1 CSC061094347 [0,2,0,0,0,0|1,0,1]=4 82 B15R1.502 CC(N(C)C(=O)c1ccncc1)C(=O)O CSC011716348 [0,2,0,0,0,0|2,0,0]=4 83 B15R1.524 CCC(NC(=O)c1ccncc1)C(C)O CSC017655500 [0,2,0,0,0,0|1,0,1]=4 84 B15R1.1357 CCN(CC(=C)C)C(=O)c1ccncc1 CSC025884894 [0,2,0,0,0,0|2,0,0]=4 85 B15R1.1357 CCN(CC(=O)O)C(=O)c1ccncc1 CSC011394552 [0,2,0,0,0,0|2,0,0]=4 86 B13R2.10 Cc1cc([nH]n1)c2ccccc2 CSC000009428 [1,0,0,1,0,0|2,0,0]=4 87 B13R2.10 Cc1nnc(o1)c2ccncc2 CSC000018772 [1,0,0,1,0,0|0,0,2]=4 88 B11R1.91 CC(=O)NCc1ccncc1 CSC000154903 [1,0,0,0,1,0|0,0,2]=4 89 B15R1.497 CC(=O)NCCNC(=O)c1ccncc1 CSC034236416 [0,0,0,0,0,2|0,0,2]=4 90 B15R1.497 OC(=O)CCCNC(=O)c1ccncc1 CSC011192014 [0,0,0,0,0,2|2,0,0]=4 91 B15R1.497 OC(=O)CCCNC(=O)c1ccncc1 CSC011192014 [0,0,0,0,0,2|2,0,0]=4 92 B15R1.1081 CC(O)CCNC(=O)Nc1ccncc1 CSC061725227 [0,0,0,0,0,2|1,0,1]=4 93 B15R1.5919 C[C@H](O)CNC(=O)NCc1ccncc1 CSC061665116 [0,0,0,0,0,2|1,0,1]=4 94 B15R1.5919 OC(=O)CNC(=O)CCc1ccncc1 CSC012924594 [0,0,0,0,0,2|2,0,0]=4