comparison reaction.csv @ 23:635b76a9bd7a draft

planemo upload commit 6f56159bc3cd5339f88517f6822240410bc9e4dd-dirty
author pablocarb
date Fri, 05 Jul 2019 06:26:22 -0400
parents ac027c9ace4d
children
comparison
equal deleted inserted replaced
22:638dcd2d93bc 23:635b76a9bd7a
1 name,smarts 1 name,smarts
2 test,"O=C([O-])CCC(=O)C(=O)[O-].NC(CC(=O)[O-])C(=O)O>>O=C([O-])CC(=O)C(=O)[O-].NC(CCC(=O)[O-])C(=O)O" 2 test,"O=C([O-])CCC(=O)C(=O)[O-].NC(CC(=O)[O-])C(=O)O>>O=C([O-])CC(=O)C(=O)[O-].NC(CCC(=O)[O-])C(=O)O"
3 test2,"([#7&v3:1](=[#6&v4:2](-[#8&v2:3]-[#1&v1:4])-[#6&v4:5]1:[#6&v4:6](:[#6&v4:7](:[#6&v4:8](:[#7&+&v4:9](:[#6&v4:10]:1-[#1&v1:11])-[#6&v4:12]1(-[#8&v2:13]-[#6&v4:14](-[#6&v4:15](-[#8&v2:16]-[#15&v5:17])(-[#1&v1:18])-[#1&v1:19])(-[#6&v4:20](-[#8&v2:21]-[#1&v1:22])(-[#6&v4:23]-1(-[#8&v2:24]-[#1&v1:25])-[#1&v1:26])-[#1&v1:27])-[#1&v1:28])-[#1&v1:29])-[#1&v1:30])-[#1&v1:31])-[#1&v1:32])-[#1&v1:33])>>([#7&v3:1](=[#6&v4:2](-[#8&v2:3]-[#1&v1:4])-[#6&v4:5]1-[#6&v4:6](-[#6&v4:7](=[#6&v4:8](-[#7&+0&v3:9](-[#6&v4:10]=1-[#1&v1:11])-[#6&v4:12]1(-[#8&v2:13]-[#6&v4:14](-[#6&v4:15](-[#8&v2:16]-[#15&v5:17])(-[#1&v1:18])-[#1&v1:19])(-[#6&v4:20](-[#8&v2:21]-[#1&v1:22])(-[#6&v4:23]-1(-[#8&v2:24]-[#1&v1:25])-[#1&v1:26])-[#1&v1:27])-[#1&v1:28])-[#1&v1:29])-[#1&v1:30])-[#1&v1:31])(-[#1&v1:32])-[#1&v1])-[#1&v1:33])" 3 test2,"NC(CS)C(=O)O>>NC(CS)C(=O)O"