0  B4R0.2  CCNC#N d0f03dd102d2d8b7abe705087df6ba79 [0,1,0,0,0,0|1,0,2]=4
1  B4R0.2  N#CNCF fbe2878f15389c2a6f30baa251669e06 [0,1,0,0,0,0|1,0,2]=4
2  B4R0.2  N#CNCO 96663baf465b53940bc16189393ec3f3 [0,1,0,0,0,0|0,1,2]=4
3  B5R0.1  CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [0,2,0,0,0,0|2,0,0]=4
4  B5R0.1  CCOC(C)C e40579e838af0384b34ea3d488054b89 [0,2,0,0,0,0|2,0,0]=4
5  B5R0.3  CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [0,2,0,0,0,0|2,0,0]=4
6  B5R0.3  CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [0,2,0,0,0,0|2,0,0]=4
7  B5R0.3  CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [0,2,0,0,0,0|1,1,0]=4
8  B5R0.2  C#CCNC#N fd91390f543b8e3ebe01cd12ad1a2506 [0,2,0,0,0,0|1,0,1]=4
9  B5R0.2  C#CCNCC b7f456a7c0046d69162917c7df90472c [0,2,0,0,0,0|1,0,1]=4
10  B5R0.2  C#CCNCF 03b6945ac7c354bb4bd745a72a8c3a24 [0,2,0,0,0,0|1,0,1]=4
11  B5R0.2  C#CCNCO 4bb795bb5acae202fad43479b44be9dd [0,2,0,0,0,0|1,0,1]=4
12  B5R0.2  C#CCOCC 625c68641a74502dc56dd1108cdba604 [0,2,0,0,0,0|2,0,0]=4
13  B5R0.2  C#CCOCF 0e978033291daf7dd93639008f4f2560 [0,2,0,0,0,0|2,0,0]=4
14  B5R0.2  C=CCNC#N e8c6da75dd11dcee984b80ea6a85e924 [0,2,0,0,0,0|1,0,1]=4
15  B5R0.2  CCCNC#N e55413a0eea711c89a0029efe46eb0b1 [0,2,0,0,0,0|1,0,0]=3
16  B5R0.2  CCCNC=O 394eea314e4a7e284e23571b2081e74b [0,2,0,0,0,0|1,0,0]=3
17  B5R0.2  CCCNCC 5224ca4332fe9f083a57aa92376290e9 [0,2,0,0,0,0|1,0,0]=3
18  B5R0.2  CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [0,2,0,0,0,0|1,0,0]=3
19  B5R0.2  CCCNCO d60b753d66bdce688dd2adf0f18abf34 [0,2,0,0,0,0|1,0,0]=3
20  B5R0.2  CCCOCC a0c48a14a19cfc2180230756acaf40ab [0,2,0,0,0,0|1,1,0]=4
21  B5R0.2  CCCOCF 3a09ada643594a0865eabd839c992d22 [0,2,0,0,0,0|1,1,0]=4
22  B5R0.2  CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [0,2,0,0,0,0|1,0,1]=4
23  B5R0.2  CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [0,2,0,0,0,0|1,0,0]=3
24  B5R0.2  CCNCCF f147a768cf60514004e1bcbf470c3410 [0,2,0,0,0,0|1,0,0]=3
25  B5R0.2  CCNCCI 8421b8d41316967e2680f733246bab7d [0,2,0,0,0,0|1,0,0]=3
26  B5R0.2  CCNCCO 2fc34530a6c959b43319124309163fa3 [0,2,0,0,0,0|0,1,0]=3
27  B5R0.2  CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [0,2,0,0,0,0|0,0,0]=2
28  B5R0.2  CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [0,2,0,0,0,0|1,0,1]=4
29  B5R0.2  CCOCCF e5d78433fc996ba51bd8a100b7998155 [0,2,0,0,0,0|1,1,0]=4
30  B5R0.2  CCOCCS 56f6087ed887f762fd2bdcb15935222f [0,2,0,0,0,0|1,0,0]=3
31  B5R0.2  CCOCOC 6cd815448945789916c4199ac0685ffd [0,2,0,0,0,0|1,1,0]=4
32  B5R0.2  COCNC#N 6538804d39cac1707c9f03c6cddb6366 [0,2,0,0,0,0|2,0,0]=4
33  B5R0.2  COCOCF 8b21adc85de0de107e0e54e13944287c [0,2,0,0,0,0|1,1,0]=4
34  B5R0.2  CSCNC#N dd90c86c89ce5a99a45720112f2e07ec [0,2,0,0,0,0|0,0,2]=4
35  B5R0.2  FCCNCF 3f146e38f81fa4f5bf67d0f4217d666d [0,2,0,0,0,0|1,0,0]=3
36  B5R0.2  FCCOCF ca742562f732a5154eefbdd51554f094 [0,2,0,0,0,0|1,1,0]=4
37  B5R0.2  FCNCCBr ebb4ae71bfedb68f39fc2b9156885a92 [0,2,0,0,0,0|1,0,0]=3
38  B5R0.2  FCNCCI 6147f2646233ff1a06aa8fb273c4329d [0,2,0,0,0,0|1,0,0]=3
39  B5R0.2  FCNCCS ce51a6a3077027e3188387d313defd97 [0,2,0,0,0,0|0,0,0]=2
40  B5R0.2  FCOCCS 3aade357eac7f8414966cbb46c36a193 [0,2,0,0,0,0|1,0,0]=3
41  B5R0.2  N#CCNC#N fdd69f7107695a6e09661dc4dfcdfc51 [0,2,0,0,0,0|1,0,1]=4
42  B5R0.2  N#CCNC=O 80b3c5a6fd13156c1522f1a3270bb14c [0,2,0,0,0,0|1,0,1]=4
43  B5R0.2  N#CCNCF 16901c333c15c02c0d34825b6b9ccb23 [0,2,0,0,0,0|1,0,1]=4
44  B5R0.2  N#CCNCO fd324670c11604d36c8ad9c950822402 [0,2,0,0,0,0|0,1,1]=4
45  B5R0.2  N#CCOCF a376014f96206b9d86fce99546d2dc7b [0,2,0,0,0,0|1,0,1]=4
46  B5R0.2  N#CNCC=O 3856e5cdadd94d32cd8b2d487f474d44 [0,2,0,0,0,0|0,1,1]=4
47  B5R0.2  N#CNCCF e4f929564511bdc0425e713012cd3079 [0,2,0,0,0,0|1,0,0]=3
48  B5R0.2  N#CNCCO 4fe025328d8e2b561fe449e861e4b637 [0,2,0,0,0,0|0,1,0]=3
49  B5R0.2  N#CNCCS acd2c3aea28fc33dac0673fcfba0648d [0,2,0,0,0,0|0,0,0]=2
50  B5R0.2  O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [0,2,0,0,0,0|1,0,0]=3
51  B5R0.2  O=CNCCF cc6ab20072548fa955497a25033be1e2 [0,2,0,0,0,0|1,0,0]=3
52  B5R0.2  O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [0,2,0,0,0,0|1,0,0]=3
53  B5R0.2  O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [0,2,0,0,0,0|0,1,0]=3
54  B5R0.2  O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [0,2,0,0,0,0|0,0,0]=2
55  B5R0.2  OCCNCF 7003ba7efdea8413ef4364037c1001a7 [0,2,0,0,0,0|0,1,0]=3
56  B5R0.2  OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [0,2,0,0,0,0|0,1,0]=3
57  B5R0.2  OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [0,2,0,0,0,0|1,0,0]=3
58  B5R0.2  OCNCCF 01aec1945c7d4caf55669189450aba19 [0,2,0,0,0,0|1,0,0]=3
59  B5R0.2  OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [0,2,0,0,0,0|1,0,0]=3
60  B5R0.2  OCNCCS 87671363bbc8ed0ee87af951e0008679 [0,2,0,0,0,0|0,0,0]=2