0 B8R1.7 CC(=O)N1CC=CC1 e11b9582e24204de984b55633fe5316e [0,0,0,0,0,0|2,0,1]=3 1 B7R1.1 O=CN1CC=CC1 00c83ff9220e787a4c487ae8b9d72ecb [1,0,0,0,0,0|2,0,1]=4 2 B9R1.11 CCC(=O)N1CC=CC1 8fcb7348add64c7e1ee81d8cebba28fe [0,1,0,0,0,0|2,0,1]=4 3 B9R1.11 CCN(C)c1ncco1 e68e12067f5d470a1f9ce47452eec061 [0,1,0,0,0,0|3,0,0]=4 4 B9R1.11 CN(C=O)c1ccon1 948461c4b237b91a83f8b8dd0558ee15 [0,1,0,0,0,0|3,0,0]=4 5 B9R1.11 CN(C=O)c1ccsc1 8f15e9acca9aeb51f07a52c03adb4c19 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.11 CN(C=O)c1ncco1 df93436003864182c95235dcf760a9ee [0,1,0,0,0,0|2,0,0]=3 7 B9R1.11 CN(C=O)c1nccs1 c41a5a41dc66ecd9157809060ed84b66 [0,1,0,0,0,0|2,1,0]=4 8 B9R1.11 CN(C=O)c1nnco1 2298e066a6c8d226f28048c1acbd0f01 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.11 CN(CF)c1ncco1 823774d97deecae4fd019470ce27d19e [0,1,0,0,0,0|3,0,0]=4 10 B9R1.11 CN(CO)c1ncco1 2ce190e8c8743a2489629a4f881c5274 [0,1,0,0,0,0|2,0,1]=4 11 B9R1.11 O=C(CF)N1CC=CC1 3cc17bffd400c6c4b32eef881a52b1b0 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.11 O=C(CO)N1CC=CC1 1273ade47c8439e3864480831b12c15d [0,1,0,0,0,0|2,0,1]=4 13 B9R1.11 O=C(CS)N1CC=CC1 f92f9b840f52a52e8ddfa974a6fad3a6 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [0,0,1,0,0,0|2,0,1]=4 15 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [0,0,1,0,0,0|1,0,2]=4 16 B7R0.4 C=CCOCC(=C)C e2abf6a2fe1f9ea589c331127c249266 [0,0,1,0,0,0|1,0,2]=4 17 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [0,0,1,0,0,0|0,0,2]=3 18 B7R0.4 C=CCOCC(=O)N 827d4ca2bb9539e8def9891e687c2849 [0,0,1,0,0,0|1,0,2]=4 19 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [0,0,1,0,0,0|1,0,2]=4 20 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [0,0,1,0,0,0|1,0,2]=4 21 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [0,0,1,0,0,0|2,0,1]=4 22 B7R0.5 C=CCN(C)C(=O)C 77714e98bf9639848b13a6be6674f5f4 [0,0,1,0,0,0|2,0,1]=4 23 B9R1.6 CC(=O)N1CC=CCC1 941519b4d56d0edbf71c96ca78449316 [0,0,0,0,0,1|2,0,1]=4 24 B9R1.13 CC(=O)NC1CC=CC1 eddd22349be0e5ee4314ae712cf3f748 [0,0,0,0,0,1|1,0,2]=4 25 B9R1.13 CC(=O)Nc1cccs1 f70dc40a2b7a68d7210198fbab697918 [0,0,0,0,0,1|0,1,0]=2 26 B9R1.13 CC(=O)Nc1ccno1 9ee4360e11764428c81b3574e3a5fbc0 [0,0,0,0,0,1|1,0,0]=2 27 B9R1.13 CC(=O)Nc1ccns1 bf48f8f0459ec9fa0c60411c28a05fbc [0,0,0,0,0,1|1,1,0]=3 28 B9R1.13 CC(=O)Nc1ccsc1 b43c291cb5d72b5ddddbae12e8c0d0d9 [0,0,0,0,0,1|2,0,0]=3 29 B9R1.13 CC(=O)Nc1cncs1 8e4d874841813b151af824130870907f [0,0,0,0,0,1|1,1,0]=3 30 B9R1.13 CC(=O)Nc1cnoc1 008c183b50301901a34e69389b8eb7ef [0,0,0,0,0,1|3,0,0]=4 31 B9R1.13 CC(=O)Nc1cnon1 071250f23b295cbad50171808e0c5032 [0,0,0,0,0,1|3,0,0]=4 32 B9R1.13 CC(=O)Nc1cnsc1 8b2781f9f5cf5ee989ebb6568d34bd93 [0,0,0,0,0,1|3,0,0]=4 33 B9R1.13 CC(=O)Nc1cocn1 4089e82890500e24c2afb0f19306f425 [0,0,0,0,0,1|2,0,0]=3 34 B9R1.13 CC(=O)Nc1cscn1 40e369b2af88cefbcc061c4b162a2ec0 [0,0,0,0,0,1|2,0,0]=3 35 B9R1.13 CC(=O)Nc1ncco1 b16f0a75e381dc1cebd6e7c0a9c2918e [0,0,0,0,0,1|1,0,0]=2 36 B9R1.13 CC(=O)Nc1nccs1 77a8d229d5e2ebce94e2316ec872dfb6 [0,0,0,0,0,1|1,1,0]=3 37 B9R1.13 CC(=O)Nc1ncns1 18eb207d1ea047dd616d0591bfe85991 [0,0,0,0,0,1|2,1,0]=4 38 B9R1.13 CC(=O)Nc1nncs1 8f3b0ec48152fd5fccb2725743659212 [0,0,0,0,0,1|2,1,0]=4 39 B9R1.13 CC(C)Nc1ccno1 2159316ddf4b6c3bfafa9dd18aed231b [0,0,0,0,0,1|2,0,1]=4 40 B9R1.13 CC(C)Nc1ncco1 fcd0fac8f92d9b0f4549470280738971 [0,0,0,0,0,1|2,0,1]=4 41 B9R1.13 CC(C)Oc1ccco1 6706bc489021fd5e63c9cd08f454e9c6 [0,0,0,0,0,1|1,0,1]=3 42 B9R1.13 CC(C)Oc1cccs1 21794e900987f3d432b829048842efca [0,0,0,0,0,1|1,1,1]=4 43 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [1,0,1,0,0,0|0,0,2]=4 44 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [1,0,1,0,0,0|1,0,1]=4 45 B8R0.6 C=CCOCC(=O)CC 048d3235ebc96f1d1022e6a0b9b0b262 [0,1,1,0,0,0|0,0,2]=4 46 B8R0.6 C=CCOCC(=O)NC 78ae20439406612f9980a44f6c28e411 [0,1,1,0,0,0|0,0,2]=4 47 B8R0.6 C=CCOCC(=O)OC 4af7941697fe7abf28d3bb985f3618ec [0,1,1,0,0,0|0,0,2]=4 48 B8R0.7 C/C=C/COCC(=O)C 8704cfa8ea1b508d264e8fc5e5c29d85 [0,1,1,0,0,0|0,0,2]=4 49 B8R0.7 C/C=C\COCC(=O)C 2779d7a42d72df0b04bf874f0b76bd29 [0,1,1,0,0,0|0,0,2]=4 50 B8R0.7 C=CCCOCC(=O)C 797d503837e4e202e9cb8254fa6d250d [0,1,1,0,0,0|0,0,2]=4 51 B8R0.7 C=CCOC/C=C(/C)\Cl 63eb25bdfe8b92dc1e4ef26fc8d8bbb2 [0,1,1,0,0,0|1,0,1]=4 52 B8R0.7 C=CCOC/C=C(/C)\I 5c98586d123b4f07ba2b356a01382dd2 [0,1,1,0,0,0|1,0,1]=4 53 B8R0.7 C=CCOCC=C(C)C eca3e61c2092906027796cdcad8f7e58 [0,1,1,0,0,0|1,0,1]=4 54 B8R0.7 C=CCOCC=C(C)I d79f178cbfe58e780f13877f345761a4 [0,1,1,0,0,0|1,0,1]=4 55 B8R0.7 C=CCOCCC(=O)C 329a78e4caec96ed4eabde1e54085f6f [0,1,1,0,0,0|0,0,2]=4 56 B8R0.7 C=CCOCNC(=O)C 9865141036101ac320553ca04e5ea416 [0,1,1,0,0,0|0,0,2]=4 57 B8R0.7 CC(=O)CNC/C=C\O 19a7672d1a67f2a1a9815025c4514fdd [0,1,1,0,0,0|0,0,2]=4 58 B8R0.7 CC(=O)COC/C=C/Cl f28a84584009e5c8efc1107a62fa8ba7 [0,1,1,0,0,0|0,0,2]=4 59 B8R0.7 CC(=O)COC/C=C\Cl 66fd27dbc2c5b7652d1a6492573d5a55 [0,1,1,0,0,0|0,0,2]=4 60 B8R0.8 C=CCOC(C)C(=O)C 67a80f394e84cf94a6ded2477a1d988b [0,1,1,0,0,0|0,0,2]=4 61 B8R0.9 C=CC(=O)NCC(=O)C f3e7b40bd3652c0c7e95694f9b8e4899 [0,1,1,0,0,0|1,0,1]=4 62 B8R0.9 C=CC(C)OCC(=O)C 9ad41a13855017a691d90b159b9e2ebc [0,1,1,0,0,0|0,0,2]=4 63 B8R0.28 C=C(Br)COCC(=O)C 2998d15811d05ee94864f071d160f5f0 [0,1,1,0,0,0|0,0,2]=4 64 B8R0.28 C=C(C)COCC(=O)C 3742b2df3a9a917d85dc43f50a8243d8 [0,1,1,0,0,0|0,0,2]=4 65 B8R0.28 C=C(Cl)COCC(=O)C ad4435b5d09240ae6535f809383ea097 [0,1,1,0,0,0|0,0,2]=4 66 B8R0.28 C=C(F)COCC(=O)C 3b49497466c0b1ff9d1a27fea6f908e8 [0,1,1,0,0,0|0,0,2]=4 67 B8R1.8 CCNc1cccs1 f92887221cdfe270aa88f70a5b6538c3 [1,1,0,0,0,0|0,1,1]=4 68 B8R1.8 CCNc1ccno1 c991bcc5829788fabf092ecd54bd220e [1,1,0,0,0,0|1,0,1]=4 69 B8R1.8 CCNc1ncco1 9fef4809a1ac3d1c666a8faacb65e06b [1,1,0,0,0,0|1,0,1]=4 70 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [1,1,0,0,0,0|0,0,1]=3 71 B8R1.8 CCOc1cccs1 d21292a98c2ee3c1ea9b8b00e074b6ef [1,1,0,0,0,0|0,1,1]=4 72 B8R1.8 FCNc1cccs1 5e75f288d43648c29cd49234a17e1a9b [1,1,0,0,0,0|1,1,0]=4 73 B8R1.8 FCNc1ccno1 60a267bb867c822fdfdffdd946b066a7 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.8 FCNc1ncco1 f2516fdad5ce6b05dd015414dcc1a357 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.8 FCOc1ccco1 51ab89c071216f5af135b7cd9684c569 [1,1,0,0,0,0|1,0,0]=3 76 B8R1.8 FCOc1cccs1 5abe6db260cf1bf0ece10764373fe2fd [1,1,0,0,0,0|1,1,0]=4 77 B8R1.8 O=CNc1cccs1 ba17c251fb0707a83067f3ecf6d1d996 [1,1,0,0,0,0|0,1,0]=3 78 B8R1.8 O=CNc1ccno1 aae61b9cd3ebc97474890d3f855206e4 [1,1,0,0,0,0|1,0,0]=3 79 B8R1.8 O=CNc1ccns1 ce5df5142e91fb4f21bc04e2f907948a [1,1,0,0,0,0|1,1,0]=4 80 B8R1.8 O=CNc1ccon1 cca691a48b26a4c8aa46cb0c5d0b373e [1,1,0,0,0,0|2,0,0]=4 81 B8R1.8 O=CNc1ccsc1 0a6858906ba6a8fe50b8bca40778ed89 [1,1,0,0,0,0|2,0,0]=4 82 B8R1.8 O=CNc1cncs1 2fc027c30eccc6d6784fdd08eb71b5dd [1,1,0,0,0,0|1,1,0]=4 83 B8R1.8 O=CNc1cocn1 fa7501fc60eefe5acd9d7f72446662b1 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.8 O=CNc1cscn1 dc58d2c2a66d8256ef5e7a147170c401 [1,1,0,0,0,0|2,0,0]=4 85 B8R1.8 O=CNc1ncco1 6995c12eff18399819f86d155261d936 [1,1,0,0,0,0|1,0,0]=3 86 B8R1.8 O=CNc1nccs1 390a57e714801d3a9ba2a25dd47bacc9 [1,1,0,0,0,0|1,1,0]=4 87 B8R1.8 OCNc1cccs1 2c9e101236047184adb7524dbc050fa0 [1,1,0,0,0,0|1,1,0]=4 88 B8R1.8 OCNc1ccno1 478600583886de8c6682fe554d125237 [1,1,0,0,0,0|2,0,0]=4 89 B8R1.8 OCNc1ncco1 15920413347c3c350d4387dc3a094208 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.15 CN(C=O)c1ccccn1 48011329103c524c4b63577b588cdb27 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.15 CN(C=O)c1cccnc1 c200b85f739a703bfa35217d599e46e7 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.15 CN(C=O)c1cccnn1 bb6c9a4d3ed3a56597c0fa4d221ca30b [0,1,0,0,0,1|2,0,0]=4 93 B10R1.15 CN(C=O)c1ccncc1 9cc48dd486f2ee4c03255d677df658bd [0,1,0,0,0,1|2,0,0]=4 94 B10R1.15 CN(C=O)c1ccncn1 559e04860b4b657b48b2febe0788a499 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.23 CC(=O)N(C)c1ccon1 ff00ed108821b5eaf2ee65f6cfd7a2ac [0,1,0,0,0,1|2,0,0]=4 96 B10R1.23 CC(=O)N(C)c1ccsc1 2e4d378e837397cdd496156e883e8944 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.23 CC(=O)N(C)c1ncco1 fbef3ee7d925bf7234b315644b4968be [0,1,0,0,0,1|1,0,0]=3 98 B10R1.23 CC(=O)N(C)c1nccs1 7aefce76e45e954968aec461666c7f6f [0,1,0,0,0,1|1,1,0]=4 99 B10R1.23 CC(=O)N(C)c1nnco1 c2cdf2723f8fbcc09d378235e87abd37 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.27 C#CC(=O)Nc1cccs1 e9224cd9992603127a419174b2b0a0b5 [0,1,0,0,0,1|0,1,1]=4 101 B10R1.27 C#CC(=O)Nc1ccno1 a2b4c385e9b20c6ea6179d70e95787ed [0,1,0,0,0,1|1,0,1]=4 102 B10R1.27 C#CC(=O)Nc1ncco1 d17bf78d42d3d2638cc091eea586c848 [0,1,0,0,0,1|1,0,1]=4 103 B10R1.27 C#CC(C)Oc1ccco1 92db3c4847ba22311f3475e8bb41af35 [0,1,0,0,0,1|1,0,1]=4 104 B10R1.27 C=CC(=O)Nc1cccs1 e83235019fa42812523ea5fc4f181558 [0,1,0,0,0,1|0,1,1]=4 105 B10R1.27 C=CC(=O)Nc1ccno1 024209dd32edd8d8ae78ff4216ebd741 [0,1,0,0,0,1|1,0,1]=4 106 B10R1.27 C=CC(=O)Nc1ncco1 4191fc2a4b42231ce3f00b59c09c2a64 [0,1,0,0,0,1|1,0,1]=4 107 B10R1.27 C=CC(C)Nc1ccco1 154786abc601098fdacea27b3f0b1f80 [0,1,0,0,0,1|1,0,1]=4 108 B10R1.27 C=CC(C)Oc1ccco1 20f70fdbeab6dce7c4f0da853587e675 [0,1,0,0,0,1|1,0,1]=4 109 B10R1.27 CC(C=O)Nc1cccs1 7379279bea2ff0cb31c5730c7b728258 [0,1,0,0,0,1|0,1,1]=4 110 B10R1.27 CC(C=O)Nc1ccno1 81f3690f3a4d76df2ba76e8002ce644c [0,1,0,0,0,1|1,0,1]=4 111 B10R1.27 CC(C=O)Nc1ncco1 5b5af1995e8538075b0d152bdcf5cf5d [0,1,0,0,0,1|1,0,1]=4 112 B10R1.27 CC(C=O)Oc1ccco1 135f5d833c8d42c9644f16e573ebe678 [0,1,0,0,0,1|0,0,1]=3 113 B10R1.27 CC(C=O)Oc1cccs1 10ebe9c7137d665df269537ffb13543c [0,1,0,0,0,1|0,1,1]=4 114 B10R1.27 CCC(=O)Nc1cccs1 f50607963147f2d3b2fa22a860c7bc5f [0,1,0,0,0,1|0,1,0]=3 115 B10R1.27 CCC(=O)Nc1ccno1 909054f307ef24dfb02c6467e90f9bc3 [0,1,0,0,0,1|1,0,0]=3 116 B10R1.27 CCC(=O)Nc1ccns1 983c39b369b340df6a8d008508181dc6 [0,1,0,0,0,1|1,1,0]=4 117 B10R1.27 CCC(=O)Nc1ccsc1 5bf01967229999d777833bdfda9bef0a [0,1,0,0,0,1|2,0,0]=4 118 B10R1.27 CCC(=O)Nc1cncs1 0a9145704297d531c120b55f86e36565 [0,1,0,0,0,1|1,1,0]=4 119 B10R1.27 CCC(=O)Nc1cocn1 2d93b0f05fe4aaf36cb636d800a92bf5 [0,1,0,0,0,1|2,0,0]=4 120 B10R1.27 CCC(=O)Nc1cscn1 7ba07f893e3c146b5b2e23ed1c158919 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.27 CCC(=O)Nc1ncco1 ee37f68e5f52d9668d0f9933ef28c6fc [0,1,0,0,0,1|1,0,0]=3 122 B10R1.27 CCC(=O)Nc1nccs1 fdccf754ab8887b68e7072ae126b79a6 [0,1,0,0,0,1|1,1,0]=4 123 B10R1.27 CCC(C)Oc1ccco1 d0beb7fde6d54ae64363161825c47c35 [0,1,0,0,0,1|1,0,1]=4 124 B10R1.27 CCN(C)Cc1ccco1 76ba84af7af62748e537e57011bb5102 [0,1,0,0,0,1|2,0,0]=4 125 B10R1.27 CN(C=O)Cc1ccco1 717a7d8b3764ff0b3e1e4cf00cb53e3a [0,1,0,0,0,1|1,0,0]=3 126 B10R1.27 CN(C=O)Cc1cccs1 bb1b0a7ece4111e21fe8be693bcf2f97 [0,1,0,0,0,1|1,1,0]=4 127 B10R1.27 CN(C=O)Cc1ccno1 5309846741912f9b401b128276b0f0ea [0,1,0,0,0,1|2,0,0]=4 128 B10R1.27 CN(C=O)Cc1ncco1 a258d8c0a11315bda756d073815db626 [0,1,0,0,0,1|2,0,0]=4 129 B10R1.27 CN(CF)Cc1ccco1 a8a8f0beb1fa78278a0baf9423982cd2 [0,1,0,0,0,1|2,0,0]=4 130 B10R1.27 CN(CO)Cc1ccco1 e35a02611f613e4c724702badf0f544d [0,1,0,0,0,1|1,0,1]=4 131 B10R1.27 C[C@H](C=O)Nc1cccs1 ae02474b765b84e7ec793db927e1dc57 [0,1,0,0,0,1|0,1,1]=4 132 B10R1.27 C[C@H](C=O)Nc1ccno1 dae3e1bf83b3209cd2f11a475b1d1de2 [0,1,0,0,0,1|1,0,1]=4 133 B10R1.27 C[C@H](C=O)Nc1ncco1 039d5e5c75e8478f964628dea1bd1d43 [0,1,0,0,0,1|1,0,1]=4 134 B10R1.27 C[C@H](C=O)Oc1ccco1 5bdca6620ba06d658d5ddbf85a11061b [0,1,0,0,0,1|0,0,1]=3 135 B10R1.27 C[C@H](C=O)Oc1cccs1 045ffed072fb5b406aa66d23a75a781e [0,1,0,0,0,1|0,1,1]=4 136 B10R1.27 O=C(CF)Nc1cccs1 c2532a8f207b54b42bbc7280d05616b2 [0,1,0,0,0,1|0,1,0]=3 137 B10R1.27 O=C(CF)Nc1ccno1 8f6d54f8381900f816aa0a6141c5e319 [0,1,0,0,0,1|1,0,0]=3 138 B10R1.27 O=C(CF)Nc1ccns1 75e15fa4560fa8835c009c203da5d8e3 [0,1,0,0,0,1|1,1,0]=4 139 B10R1.27 O=C(CF)Nc1ccsc1 457dee91bb0d8d20d3739ae052a998df [0,1,0,0,0,1|2,0,0]=4 140 B10R1.27 O=C(CF)Nc1cncs1 dc006872675f0f128ae63cfbcdb8a454 [0,1,0,0,0,1|1,1,0]=4 141 B10R1.27 O=C(CF)Nc1cocn1 a16f59e93cde147ab533dc28819b6d81 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.27 O=C(CF)Nc1cscn1 a215739c094e1f2b02ac0bf8b66acd9a [0,1,0,0,0,1|2,0,0]=4 143 B10R1.27 O=C(CF)Nc1ncco1 4fa3d00cec483ba2638be10f345a2395 [0,1,0,0,0,1|1,0,0]=3 144 B10R1.27 O=C(CF)Nc1nccs1 f4957295fbac2e3be4de2d3b24bdeb37 [0,1,0,0,0,1|1,1,0]=4 145 B10R1.27 O=C(CO)Nc1cccs1 c02ae0041af0a4556b6c8dc060e48c79 [0,1,0,0,0,1|0,1,0]=3 146 B10R1.27 O=C(CO)Nc1ccns1 db5a0c8c2c21c92cac5302c74ae7b0a4 [0,1,0,0,0,1|1,1,0]=4 147 B10R1.27 O=C(CO)Nc1ccsc1 8b669f4333e0344ec74ab87bffb31285 [0,1,0,0,0,1|2,0,0]=4 148 B10R1.27 O=C(CO)Nc1cocn1 b8553395cb3e855ded3c09361c07be6a [0,1,0,0,0,1|2,0,0]=4 149 B10R1.27 O=C(CO)Nc1cscn1 f4efd7ec88f4e763e5248af5d0ca15cb [0,1,0,0,0,1|2,0,0]=4 150 B10R1.27 O=C(CO)Nc1ncco1 6050db231c4a585130c143babe839f4c [0,1,0,0,0,1|1,0,0]=3 151 B10R1.27 O=C(CO)Nc1nccs1 4ab8c7cb024d8e0de607a8771bb61f22 [0,1,0,0,0,1|1,1,0]=4 152 B10R1.27 O=C(CS)Nc1cccs1 92618e90e5bf8c915c1cae56e1f47489 [0,1,0,0,0,1|0,1,0]=3 153 B10R1.27 O=C(CS)Nc1ccno1 6824aa28c3d354d7bf99229861e6658f [0,1,0,0,0,1|1,0,0]=3 154 B10R1.27 O=C(CS)Nc1ccns1 c0d5a3f0a8977374347178aa39e76014 [0,1,0,0,0,1|1,1,0]=4 155 B10R1.27 O=C(CS)Nc1cocn1 856019594de1955fc2c981ac293446ca [0,1,0,0,0,1|2,0,0]=4 156 B10R1.27 O=C(CS)Nc1cscn1 9ecabead17ce93aad03c2fd2eb2663de [0,1,0,0,0,1|2,0,0]=4 157 B10R1.27 O=C(CS)Nc1nccs1 5645898068526a559772b933394d1e55 [0,1,0,0,0,1|1,1,0]=4 158 B10R1.27 O=CC(=O)Nc1cccs1 131968a6bb1c313ed1c4ad145b0c87f0 [0,1,0,0,0,1|0,1,1]=4 159 B10R1.27 O=CC(=O)Nc1ccno1 aadc5f6588312db5e1f94a52bf216ff5 [0,1,0,0,0,1|1,0,1]=4 160 B10R1.27 O=CC(=O)Nc1ncco1 3f5cc1048dbccb945effc7f56e2ac024 [0,1,0,0,0,1|1,0,1]=4 161 B10R1.54 CC(=O)Nc1cc(ns1)C 96474550c57b1d954359d70f2efca929 [0,1,0,0,0,1|1,1,0]=4 162 B10R1.54 CC(=O)Nc1cc(on1)C 20c11f2d1c6dfd367f1bca0ab6315fe5 [0,1,0,0,0,1|2,0,0]=4 163 B10R1.54 CC(=O)Nc1ccn(n1)C 903af2560c1c678177a5924d68c95644 [0,1,0,0,0,1|2,0,0]=4 164 B10R1.54 CC(=O)Nc1cn(cn1)C 5abc563bc45dfec639fc07ed34752788 [0,1,0,0,0,1|2,0,0]=4 165 B10R1.54 CC(=O)Nc1cnc(o1)C abc73c25d4867826ef3bfc13f8c7316c [0,1,0,0,0,1|1,0,0]=3 166 B10R1.54 CC(=O)Nc1cnc(s1)C f0db43659dd3987c1ef02f00c56b566f [0,1,0,0,0,1|1,1,0]=4 167 B10R1.54 CC(=O)Nc1cnc(s1)S 876c812e30a275eab2b3262dca27f5c5 [0,1,0,0,0,1|1,1,0]=4 168 B10R1.54 CC(=O)Nc1nc(co1)Br 87a95faa6723d91bdd0802718ae9b1f4 [0,1,0,0,0,1|1,0,0]=3 169 B10R1.54 CC(=O)Nc1nc(co1)C 57a302d71eb45e267d8631f9449ec3ea [0,1,0,0,0,1|1,0,0]=3 170 B10R1.54 CC(=O)Nc1nc(cs1)C 3e571b68a826de29c87d5649816bf01d [0,1,0,0,0,1|1,1,0]=4 171 B10R1.54 CC(=O)Nc1nc(cs1)O 5d800e6183eb11e36a00681abec9a403 [0,1,0,0,0,1|1,1,0]=4 172 B10R1.54 CC(=O)Nc1ncc(o1)C bf46992bdf79173921a665869350e14e [0,1,0,0,0,1|1,0,0]=3 173 B10R1.54 CC(=O)Nc1nnc(o1)Br bb7217dcb585ae6bce816963a47b2424 [0,1,0,0,0,1|2,0,0]=4 174 B10R1.54 CC(=O)Nc1nnc(o1)C eb99e2ee1070a359576f1280a0602a7f [0,1,0,0,0,1|2,0,0]=4 175 B10R1.64 CC(=O)Nc1ccnn1C c286ebf5c7b447323de4234c57715d13 [0,1,0,0,0,1|2,0,0]=4 176 B10R1.64 CC(=O)Nc1ccsc1C fea9f66d0431adcdc3ac97999f91179d [0,1,0,0,0,1|2,0,0]=4 177 B10R1.64 CC(=O)Nc1cncn1C 481a7e6b8ba66f750dd9eca965ab14a2 [0,1,0,0,0,1|2,0,0]=4 178 B10R1.64 CC(=O)Nc1nocc1C d996c34cecbc35ab33fabe5c99ebc79f [0,1,0,0,0,1|2,0,0]=4 179 B10R1.64 CC(=O)Nc1scnc1C d9c5db1d555c273edf064ea3f50fb573 [0,1,0,0,0,1|1,1,0]=4 180 B10R1.11 CC(NC=O)c1ccco1 ddbe85663f32152ae7a905d80f70dce5 [0,2,0,0,0,0|0,0,1]=3 181 B10R1.11 CC(NC=O)c1cccs1 e140bba64e4c2e9bddbde06232ed8a5f [0,2,0,0,0,0|0,1,1]=4 182 B10R1.11 CC(NC=O)c1ncco1 8048fbe8a07781fd7bf6043c57ee8b10 [0,2,0,0,0,0|1,0,1]=4 183 B10R1.11 CC(NCF)c1ccco1 ec50ac5ee30b386ceb27d74b468f7bbf [0,2,0,0,0,0|1,0,1]=4 184 B10R1.11 CC(NCO)c1ccco1 4881715caf8fce76fe938600d1a6b5e2 [0,2,0,0,0,0|0,0,2]=4 185 B10R1.11 CC(OCF)c1ccco1 0dc071426fbde92893ac6d911f8258f3 [0,2,0,0,0,0|0,0,2]=4 186 B10R1.11 CCNC(C)c1ccco1 ee141e1d5a490da9995e04ce24e590f9 [0,2,0,0,0,0|1,0,1]=4 187 B10R1.11 CCN[C@H](C)c1ccco1 28eb0d4eaae628536a1bf1f770a877ab [0,2,0,0,0,0|1,0,1]=4 188 B10R1.11 CCOC(C)c1ccco1 3bd2b9ad01c83442911e7c1be5d2164d [0,2,0,0,0,0|0,0,2]=4 189 B10R1.11 CCO[C@H](C)c1ccco1 3c8ceb0e1dd139cd9173630218700cc9 [0,2,0,0,0,0|0,0,2]=4 190 B10R1.11 CN(CC=O)c1ncco1 67ddaa0508c67b711ba2fcc9711a9eda [0,2,0,0,0,0|2,0,0]=4 191 B10R1.11 C[C@@H](NC=O)c1ccco1 dabf68fc67919a7d4d3c16b33f054bdc [0,2,0,0,0,0|0,0,1]=3 192 B10R1.11 C[C@@H](NC=O)c1cccs1 f70bf3c872f03105dbd63b63dbb8840f [0,2,0,0,0,0|0,1,1]=4 193 B10R1.11 C[C@@H](NCF)c1ccco1 e5e97902e40ec0578a768aa3c7b12fce [0,2,0,0,0,0|1,0,1]=4 194 B10R1.11 C[C@@H](NCO)c1ccco1 d0b88fd7c99a35596cab0a6a81704914 [0,2,0,0,0,0|0,0,2]=4 195 B10R1.11 C[C@@H](OCF)c1ccco1 b3b578f71aae2bbabe04fd12d3be7051 [0,2,0,0,0,0|0,0,2]=4 196 B10R1.11 C[C@H](NC=O)c1cccs1 4bb0ea6a6a82193677c759d4799a10ee [0,2,0,0,0,0|0,1,1]=4 197 B10R1.11 N#CNC(=O)c1ccco1 1adef430898af33746a6c9ec84528171 [0,2,0,0,0,0|0,0,1]=3 198 B10R1.11 N#CNC(=O)c1cccs1 095e1c1f89cfea00e92ac1d8c8d62e1e [0,2,0,0,0,0|0,1,1]=4 199 B10R1.11 N#CNC(=O)c1ccno1 fc6e857285727ff26ef42788fd85d724 [0,2,0,0,0,0|1,0,1]=4 200 B10R1.11 N#CNC(=O)c1cnco1 d28705b4d54e683c655c7c26497671ce [0,2,0,0,0,0|1,0,1]=4 201 B10R1.11 N#CNC(=O)c1ncco1 cad6eda580411d5fa5ee0424dceda23d [0,2,0,0,0,0|1,0,1]=4 202 B10R1.14 CCN(C)c1ccc(o1)C 756b5c8d5f9750ba36120da486b7ea4d [0,2,0,0,0,0|2,0,0]=4 203 B10R2.193 c1coc(c1)OC2CC2 8985027cbca38de40f7977ffc4fa9731 [0,0,0,1,0,1|1,0,1]=4 204 B10R1.18 CC(=O)Nc1ccccn1 eb929aff8406d4b1d349799cd9970928 [0,0,0,0,0,2|1,0,0]=3 205 B10R1.18 CC(=O)Nc1cccnc1 3ff4f8eaa45b955bdc1d480af270b630 [0,0,0,0,0,2|1,0,0]=3 206 B10R1.18 CC(=O)Nc1cccnn1 0f494122953745d5434019dc2597dec3 [0,0,0,0,0,2|1,0,0]=3 207 B10R1.18 CC(=O)Nc1ccncc1 c780044b958d7764a2638254ebdd3ded [0,0,0,0,0,2|1,0,0]=3 208 B10R1.18 CC(=O)Nc1ccncn1 21d9a226b27ccfaa0b4194dd907a60f4 [0,0,0,0,0,2|1,0,0]=3 209 B10R1.18 CC(=O)Nc1ccnnc1 13b7327c392c1dda0e0267bb7d63e990 [0,0,0,0,0,2|2,0,0]=4 210 B10R1.18 CC(=O)Nc1cnccn1 de63828007b663ee737a5f03044b51d4 [0,0,0,0,0,2|1,0,0]=3 211 B10R1.66 C=C(Br)CNc1ccco1 46cb655391dd7ee0099e3f68361df23b [0,0,0,0,0,2|1,0,1]=4 212 B10R1.66 C=C(Br)COc1ccco1 d0b6cd16dd8f8a048de010b54cb1126a [0,0,0,0,0,2|1,0,1]=4 213 B10R1.66 C=C(C)CNc1cccs1 d16c7a810bce5bfe2c251346fc272f1b [0,0,0,0,0,2|1,1,0]=4 214 B10R1.66 C=C(C)CNc1ccno1 e81af668258a6501f050fe1cde60bb8a [0,0,0,0,0,2|2,0,0]=4 215 B10R1.66 C=C(C)CNc1ncco1 0ca709ff7fbabcdc574e2630eee794e2 [0,0,0,0,0,2|2,0,0]=4 216 B10R1.66 C=C(C)COc1ccco1 b3f905ff0261eb167bbdc638ad76153d [0,0,0,0,0,2|1,0,0]=3 217 B10R1.66 C=C(C)COc1cccs1 ba490c6192f94efd35b9a3807f014ce8 [0,0,0,0,0,2|1,1,0]=4 218 B10R1.66 C=C(Cl)COc1ccco1 aba02f3358eca90651a93a5b886bb155 [0,0,0,0,0,2|1,0,1]=4 219 B10R1.66 C=C(F)COc1ccco1 a2f9f6f7135fa61d0ed061da3bb59ad7 [0,0,0,0,0,2|1,0,1]=4 220 B10R1.66 CC(=O)CNc1c[nH]cn1 be2bea778bbeba0f31cba71636f977f9 [0,0,0,0,0,2|2,0,0]=4 221 B10R1.66 CC(=O)CNc1ccco1 a59c8e4ff03257d947231d2e71f4d6c9 [0,0,0,0,0,2|0,0,0]=2 222 B10R1.66 CC(=O)CNc1cccs1 cd83157d86433e62c17b868e5fb1470c [0,0,0,0,0,2|0,1,0]=3 223 B10R1.66 CC(=O)CNc1ccns1 8a92cdd13240b83844dafa37c1c87abc [0,0,0,0,0,2|1,1,0]=4 224 B10R1.66 CC(=O)CNc1ccoc1 f96f84316e97865366e82ff70b21a405 [0,0,0,0,0,2|2,0,0]=4 225 B10R1.66 CC(=O)CNc1ccsc1 264cfd5bd6905699df6036299a4d94ea [0,0,0,0,0,2|2,0,0]=4 226 B10R1.66 CC(=O)CNc1cncs1 08e34da9bd442eefd33450d52d14bc76 [0,0,0,0,0,2|1,1,0]=4 227 B10R1.66 CC(=O)CNc1cscn1 482c21989e7459cf1cfac3954fb324f0 [0,0,0,0,0,2|2,0,0]=4 228 B10R1.66 CC(=O)CNc1nccs1 77a4f07613bba7bf49318b232ac5c431 [0,0,0,0,0,2|1,1,0]=4 229 B10R1.66 CC(=O)NCc1ccco1 88956646aad494b49b38617dc9c4b71b [0,0,0,0,0,2|0,0,0]=2 230 B10R1.66 CC(=O)NCc1cccs1 f628a56aae62b1b399cb045563e5a584 [0,0,0,0,0,2|0,1,0]=3 231 B10R1.66 CC(=O)NCc1ccno1 23171c461f7c76fb2a080276054f467a [0,0,0,0,0,2|1,0,0]=3 232 B10R1.66 CC(=O)NCc1ccns1 f18c0206268e4f0158791ee7d4b44adb [0,0,0,0,0,2|1,1,0]=4 233 B10R1.66 CC(=O)NCc1ccoc1 ce9871ea53622fcc38533d8f5672809d [0,0,0,0,0,2|2,0,0]=4 234 B10R1.66 CC(=O)NCc1ccon1 5c65e5956a6b69a35911040d15d7c19a [0,0,0,0,0,2|2,0,0]=4 235 B10R1.66 CC(=O)NCc1ccsc1 32c7f46af3edcc14e3d5f823406c656c [0,0,0,0,0,2|2,0,0]=4 236 B10R1.66 CC(=O)NCc1ccsn1 612816c731f283ec818c1ce3ed185f54 [0,0,0,0,0,2|2,0,0]=4 237 B10R1.66 CC(=O)NCc1cnco1 2f9cdc814f8776fe414302b1109682db [0,0,0,0,0,2|1,0,0]=3 238 B10R1.66 CC(=O)NCc1cncs1 ec5ecc8d905108c74de005c1c70641d3 [0,0,0,0,0,2|1,1,0]=4 239 B10R1.66 CC(=O)NCc1cocn1 8ce50f68f5fa07856aef854923c4aaad [0,0,0,0,0,2|2,0,0]=4 240 B10R1.66 CC(=O)NCc1cscn1 7bbb3e803cbe4292859eedd99dcc8b12 [0,0,0,0,0,2|2,0,0]=4 241 B10R1.66 CC(=O)NCc1ncco1 6519ae7ebb18199243fcd7f03af8a730 [0,0,0,0,0,2|1,0,0]=3 242 B10R1.66 CC(=O)NCc1nccs1 d681868309a7cd5cf6bf7a2c5c44b5ed [0,0,0,0,0,2|1,1,0]=4 243 B10R1.66 CC(C)COc1ccco1 9a23c54afcd88900faea26a95d44c122 [0,0,0,0,0,2|1,0,1]=4 244 B10R1.66 CC(C)NCc1ccco1 e2693f4935da627db7fd450f0265afc1 [0,0,0,0,0,2|1,0,1]=4 245 B10R1.66 CC(C)OCc1ccco1 e50c3d4d785de91a25589c3a50142414 [0,0,0,0,0,2|1,0,1]=4 246 B10R1.66 CN(C)COc1ccco1 c10f1087d88a829336b344ddc05de043 [0,0,0,0,0,2|2,0,0]=4 247 B10R1.66 NC(=O)CNc1ccco1 382c54ff125dc94771cf8fb1720983d9 [0,0,0,0,0,2|1,0,0]=3 248 B10R1.66 NC(=O)CNc1cccs1 c1848d6f8f82234eb7410dbb98641bc4 [0,0,0,0,0,2|1,1,0]=4 249 B10R1.66 NC(=O)CNc1ccno1 9acc666c5eefa558f126b1961e956b46 [0,0,0,0,0,2|2,0,0]=4 250 B10R1.66 NC(=O)CNc1ncco1 fbf6a938366b6f1a796a59255db001be [0,0,0,0,0,2|2,0,0]=4 251 B10R1.66 NC(=O)COc1ccco1 1a2e54051ed18393ef61d43ef5486554 [0,0,0,0,0,2|1,0,0]=3 252 B10R1.66 NC(=O)COc1cccs1 6d788ab9a430fdaac4ae196a6438a596 [0,0,0,0,0,2|1,1,0]=4 253 B10R1.66 O=C(O)CNc1cccs1 4058449a8cebe920b6e952aa38581266 [0,0,0,0,0,2|1,1,0]=4 254 B10R1.66 O=C(O)CNc1ccno1 375180111439d2c3a881638818b3cb4d [0,0,0,0,0,2|2,0,0]=4 255 B10R1.66 O=C(O)CNc1ncco1 9cee89407c4dddbde9fb6861286ad5b4 [0,0,0,0,0,2|2,0,0]=4 256 B10R1.66 O=C(O)COc1ccco1 6b958b8d422d5fb1092e70422390022e [0,0,0,0,0,2|1,0,0]=3 257 B10R1.66 O=C(O)COc1cccs1 21851641d4378df5c5d5c2979c3c711b [0,0,0,0,0,2|1,1,0]=4 258 B10R1.66 O=[N+]([O-])COc1ccco1 539b21af5fa1c2f96f80cb505519c8fc [0,0,0,0,0,2|2,0,0]=4